#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtc n PRO 2 N 0.00 1.87 -0.90 -2.82 -0.02 -1.26 -4.75 135.00 127.12 1xtc n PRO 2 Ca 0.00 0.68 0.02 0.00 -2.02 0.00 0.00 63.50 62.18 1xtc n PRO 2 Cb 0.00 -2.50 0.35 0.00 -0.02 0.00 0.00 33.50 31.33 1xtc n PRO 2 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1xtc n GLN 3 N 6.38 4.19 0.00 -0.52 7.27 -1.26 -4.87 117.38 128.57 1xtc n GLN 3 Ca 0.24 -3.11 0.00 0.00 0.07 0.00 0.00 57.00 54.20 1xtc n GLN 3 Cb 0.25 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.70 1xtc n GLN 3 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1xtc n ASN 4 N 0.16 0.00 -0.19 1.69 0.23 -1.26 -5.06 115.26 110.82 1xtc n ASN 4 Ca 0.32 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.33 1xtc n ASN 4 Cb 1.24 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.99 1xtc n ASN 4 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1xtc h ILE 5 N 0.19 1.05 0.24 1.53 2.10 -1.97 -1.98 117.51 118.68 1xtc h ILE 5 Ca 0.00 -0.23 0.01 0.00 1.08 0.00 0.00 64.86 65.72 1xtc h ILE 5 Cb 0.00 0.32 -0.04 0.00 -1.09 0.00 0.00 36.82 36.02 1xtc h ILE 5 CO 0.00 0.12 -0.41 0.74 -1.08 0.00 0.00 178.15 177.52 1xtc h THR 6 N 0.67 0.17 0.00 2.19 2.02 -2.00 -0.51 112.91 115.46 1xtc h THR 6 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1xtc h THR 6 Cb 0.03 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1xtc h THR 6 CO -0.10 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.26 1xtc n ASP 7 N -5.48 0.00 0.00 4.18 8.00 -1.14 -3.35 116.55 118.76 1xtc n ASP 7 Ca -0.09 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1xtc n ASP 7 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1xtc n ASP 7 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xtc n LEU 8 N -0.24 0.00 -0.16 0.64 7.94 -0.76 0.86 117.00 125.28 1xtc n LEU 8 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1xtc n LEU 8 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 1xtc n LEU 8 CO 0.00 0.00 0.74 0.00 -1.11 0.00 0.00 177.39 177.02 1xtc n ALA 10 N -2.93 1.76 -0.35 0.00 0.00 0.25 -1.83 120.51 117.40 1xtc n ALA 10 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1xtc n ALA 10 Cb 0.29 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 18.63 1xtc n ALA 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xtc h GLU 11 N 0.00 1.12 0.00 0.00 4.57 -1.26 -3.42 114.58 115.59 1xtc h GLU 11 Ca 0.00 -0.07 -0.33 0.00 -1.18 0.00 0.00 59.36 57.78 1xtc h GLU 11 Cb 0.27 -0.25 0.08 0.00 -0.16 0.00 0.00 28.75 28.68 1xtc h GLU 11 CO 0.00 0.74 0.15 0.66 -1.18 0.00 0.00 179.01 179.38 1xtc n TYR 12 N -4.51 -3.32 -3.76 0.92 4.02 -0.76 -5.14 117.16 104.61 1xtc n TYR 12 Ca 0.14 -1.16 -0.11 0.00 -0.01 0.00 0.00 57.90 56.75 1xtc n TYR 12 Cb 0.14 -0.59 -0.07 0.00 -0.02 0.00 0.00 39.34 38.79 1xtc n TYR 12 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1xtc s HIS 13 N -2.44 -0.08 0.00 -0.72 3.76 -1.26 -4.82 115.29 109.73 1xtc s HIS 13 Ca 0.50 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1xtc s HIS 13 Cb -0.02 0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.75 1xtc s HIS 13 CO 0.34 -0.50 0.00 0.09 -0.85 0.00 0.00 174.74 173.81 1xtc n ASN 14 N 0.54 -1.78 -4.37 1.40 3.02 -1.26 -5.02 115.26 107.80 1xtc n ASN 14 Ca -0.18 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.07 1xtc n ASN 14 Cb 0.60 -0.30 -0.07 0.00 -0.61 0.00 0.00 39.78 39.40 1xtc n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xtc s THR 15 N -2.00 0.75 0.00 3.41 -4.23 -1.26 -2.08 115.64 110.23 1xtc s THR 15 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1xtc s THR 15 Cb 0.00 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1xtc s THR 15 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1xtc n GLN 16 N -1.11 0.00 -3.69 3.99 10.64 -0.75 -4.73 117.38 121.73 1xtc n GLN 16 Ca -0.13 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.67 1xtc n GLN 16 Cb 0.66 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.94 1xtc n GLN 16 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1xtc s ILE 17 N -0.45 5.21 -0.24 -0.39 2.07 -1.26 -1.26 121.20 124.88 1xtc s ILE 17 Ca 0.00 0.13 -0.08 0.00 -1.41 0.00 0.00 60.65 59.29 1xtc s ILE 17 Cb 0.00 -3.43 -0.04 0.00 0.13 0.00 0.00 42.46 39.12 1xtc s ILE 17 CO 0.00 0.34 0.10 -0.31 -1.91 0.00 0.00 174.94 173.16 1xtc s TYR 18 N 1.16 3.16 -0.63 3.50 1.51 -0.63 -4.99 117.35 120.43 1xtc s TYR 18 Ca 0.07 -0.16 -0.23 0.00 -1.01 0.00 0.00 57.07 55.74 1xtc s TYR 18 Cb -0.14 -2.24 0.06 0.00 -0.11 0.00 0.00 41.96 39.53 1xtc s TYR 18 CO 0.05 -0.19 0.95 0.99 -1.11 0.00 0.00 175.55 176.24 1xtc s THR 19 N 1.39 4.35 0.07 -0.71 2.01 -1.26 -1.72 115.64 119.77 1xtc s THR 19 Ca 0.06 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1xtc s THR 19 Cb -0.15 -4.64 -0.29 0.00 0.01 0.00 0.00 72.50 67.44 1xtc s THR 19 CO 0.05 -1.36 1.14 -0.07 -0.69 0.00 0.00 174.62 173.69 1xtc h LEU 20 N 11.23 0.43 -1.76 4.42 4.07 -0.58 -3.48 115.31 129.65 1xtc h LEU 20 Ca -0.28 -0.46 -0.51 0.00 0.08 0.00 0.00 57.88 56.71 1xtc h LEU 20 Cb 1.07 -0.14 -0.22 0.00 1.08 0.00 0.00 40.66 42.45 1xtc h LEU 20 CO 1.15 1.36 -0.78 0.59 -1.08 0.00 0.00 178.44 179.69 1xtc n ASN 21 N -3.54 -0.02 -3.66 -0.43 5.03 0.11 -4.87 115.26 107.90 1xtc n ASN 21 Ca -0.09 -1.04 -0.10 0.00 0.87 0.00 0.00 54.58 54.22 1xtc n ASN 21 Cb 1.03 -1.30 -0.03 0.00 -1.02 0.00 0.00 39.78 38.45 1xtc n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xtc s ASP 22 N -3.68 -0.32 0.62 6.41 2.15 -0.62 -4.94 116.67 116.28 1xtc s ASP 22 Ca 0.24 -0.36 -0.11 0.00 0.43 0.00 0.00 52.55 52.76 1xtc s ASP 22 Cb -0.14 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 43.02 1xtc s ASP 22 CO 0.83 -1.02 1.03 -1.59 -0.17 0.00 0.00 175.17 174.24 1xtc s LYS 23 N -3.84 3.60 -0.24 4.34 -2.85 -1.26 -2.52 119.74 116.97 1xtc s LYS 23 Ca 0.06 0.75 -0.17 0.00 -1.00 0.00 0.00 55.97 55.61 1xtc s LYS 23 Cb -0.01 -2.08 -0.03 0.00 -2.06 0.00 0.00 37.83 33.65 1xtc s LYS 23 CO -0.06 -0.56 0.46 0.42 0.10 0.00 0.00 175.35 175.71 1xtc s ILE 24 N -3.17 5.12 0.03 3.79 1.01 -1.26 -4.74 121.20 121.98 1xtc s ILE 24 Ca 0.55 0.79 -0.23 0.00 0.00 0.00 0.00 60.65 61.76 1xtc s ILE 24 Cb -0.11 -3.78 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 1xtc s ILE 24 CO 0.54 0.15 1.38 0.15 0.00 0.00 0.00 174.94 177.16 1xtc h PHE 25 N 7.83 0.22 -4.64 3.97 3.57 -1.92 -3.47 116.94 122.51 1xtc h PHE 25 Ca -0.32 -0.05 -0.28 0.00 3.53 0.00 0.00 57.97 60.85 1xtc h PHE 25 Cb 1.15 -0.05 -0.15 0.00 2.79 0.00 0.00 35.95 39.69 1xtc h PHE 25 CO 0.73 0.55 -0.59 -1.54 -2.23 0.00 0.00 178.31 175.23 1xtc s SER 26 N -5.83 0.43 -0.24 0.41 1.04 -1.24 -5.07 113.70 103.21 1xtc s SER 26 Ca -0.15 -1.45 -0.11 0.00 0.48 0.00 0.00 55.95 54.72 1xtc s SER 26 Cb 0.04 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.67 1xtc s SER 26 CO 0.71 -0.89 0.57 -0.47 0.98 0.00 0.00 173.24 174.14 1xtc s TYR 27 N -4.02 -0.98 -0.03 5.02 5.04 -1.26 -4.14 117.35 116.98 1xtc s TYR 27 Ca 0.39 1.88 0.07 0.00 -2.44 0.00 0.00 57.07 56.97 1xtc s TYR 27 Cb 0.06 0.54 -0.02 0.00 0.35 0.00 0.00 41.96 42.89 1xtc s TYR 27 CO 0.15 -0.51 -0.24 0.99 -1.34 0.00 0.00 175.55 174.59 1xtc s THR 28 N 2.06 1.94 -0.20 4.34 2.01 0.40 -4.99 115.64 121.19 1xtc s THR 28 Ca -0.07 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.89 1xtc s THR 28 Cb -0.09 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 70.85 1xtc s THR 28 CO -0.17 0.55 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.55 1xtc s GLU 29 N -0.45 1.64 0.45 4.92 2.12 -1.26 -1.38 118.70 124.73 1xtc s GLU 29 Ca 0.06 -0.77 -0.03 0.00 0.36 0.00 0.00 54.97 54.59 1xtc s GLU 29 Cb -0.11 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 1xtc s GLU 29 CO 0.00 -0.50 0.72 0.45 -0.54 0.00 0.00 175.26 175.39 1xtc s SER 30 N 1.49 6.13 0.00 -1.70 0.15 -0.58 -4.95 113.70 114.25 1xtc s SER 30 Ca -0.02 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1xtc s SER 30 Cb -0.17 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1xtc s SER 30 CO -0.07 -0.58 0.00 -0.11 1.20 0.00 0.00 173.24 173.68 1xtc n LEU 31 N -2.15 0.00 -4.68 3.45 0.00 -1.24 -4.39 117.00 107.99 1xtc n LEU 31 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 56.01 55.56 1xtc n LEU 31 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.96 1xtc n LEU 31 CO 0.51 0.00 1.03 0.00 0.00 0.00 0.00 177.39 178.93 1xtc n ALA 32 N 0.00 1.25 -2.28 1.96 0.00 -1.04 -4.85 120.51 115.56 1xtc n ALA 32 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 1xtc n ALA 32 Cb 0.01 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.15 1xtc n ALA 32 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xtc s GLY 33 N 0.29 1.37 0.00 0.00 0.00 -1.26 -1.86 107.32 105.86 1xtc s GLY 33 Ca 0.67 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1xtc s GLY 33 CO 0.50 2.76 0.00 0.28 0.00 0.00 0.00 173.10 176.64 1xtc n LYS 34 N 7.34 0.00 -3.14 2.90 4.01 -1.26 -5.00 118.16 123.00 1xtc n LYS 34 Ca 0.16 0.09 -0.10 0.00 -0.51 0.00 0.00 58.31 57.95 1xtc n LYS 34 Cb 0.46 -0.78 -0.04 0.00 -0.51 0.00 0.00 35.03 34.16 1xtc n LYS 34 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1xtc s ARG 35 N -0.46 0.86 -0.46 1.97 1.81 -0.78 -5.06 118.95 116.84 1xtc s ARG 35 Ca 0.00 -0.96 0.04 0.00 -1.72 0.00 0.00 55.73 53.09 1xtc s ARG 35 Cb 0.00 -0.41 0.17 0.00 -0.45 0.00 0.00 34.95 34.27 1xtc s ARG 35 CO 0.00 -1.27 0.37 0.39 -0.68 0.00 0.00 175.30 174.12 1xtc n GLU 36 N 3.67 0.47 -4.31 3.54 4.71 -1.24 -2.50 120.64 124.98 1xtc n GLU 36 Ca 0.16 -3.39 -0.16 0.00 -0.01 0.00 0.00 57.16 53.76 1xtc n GLU 36 Cb 0.52 -1.76 -0.10 0.00 -1.01 0.00 0.00 31.44 29.09 1xtc n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xtc s MET 37 N -0.23 1.37 0.01 3.49 0.23 -1.26 -3.53 119.30 119.38 1xtc s MET 37 Ca 0.32 -1.73 0.06 0.00 -1.03 0.00 0.00 55.69 53.31 1xtc s MET 37 Cb 0.03 -0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.04 1xtc s MET 37 CO -0.19 -0.27 -0.19 0.00 -2.03 0.00 0.00 175.02 172.34 1xtc s ALA 38 N -3.74 1.62 -0.10 3.16 0.00 -1.19 -1.52 121.76 119.99 1xtc s ALA 38 Ca 0.36 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 1xtc s ALA 38 Cb 0.08 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.87 1xtc s ALA 38 CO 0.12 0.38 0.10 -1.50 0.00 0.00 0.00 175.76 174.86 1xtc s ILE 39 N -0.58 -0.15 -0.08 0.00 2.07 -0.48 -1.68 121.20 120.29 1xtc s ILE 39 Ca 0.07 0.21 -0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1xtc s ILE 39 Cb -0.08 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1xtc s ILE 39 CO 0.00 0.02 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.36 1xtc s ILE 40 N 2.20 3.74 0.02 2.00 1.09 -0.26 -0.46 121.20 129.53 1xtc s ILE 40 Ca 0.04 -0.46 0.03 0.00 -1.10 0.00 0.00 60.65 59.17 1xtc s ILE 40 Cb -0.13 -2.55 -0.01 0.00 -1.06 0.00 0.00 42.46 38.70 1xtc s ILE 40 CO -0.06 0.58 -0.10 -0.89 -0.10 0.00 0.00 174.94 174.37 1xtc s THR 41 N -0.59 0.77 0.32 2.92 2.01 -1.25 -0.30 115.64 119.52 1xtc s THR 41 Ca 0.09 -0.70 0.11 0.00 0.31 0.00 0.00 61.69 61.50 1xtc s THR 41 Cb -0.12 -0.70 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 1xtc s THR 41 CO 0.02 0.01 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.46 1xtc s PHE 42 N -0.63 2.36 0.18 4.92 0.40 -0.62 -3.34 117.98 121.25 1xtc s PHE 42 Ca 0.00 -0.43 -0.13 0.00 -0.60 0.00 0.00 56.93 55.77 1xtc s PHE 42 Cb -0.06 -1.22 0.16 0.00 0.51 0.00 0.00 43.02 42.41 1xtc s PHE 42 CO 0.00 0.64 1.75 -0.22 0.70 0.00 0.00 175.22 178.10 1xtc h LYS 43 N 2.13 0.35 0.00 0.44 3.64 -1.91 1.13 116.57 122.34 1xtc h LYS 43 Ca -0.41 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1xtc h LYS 43 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1xtc h LYS 43 CO 0.66 0.23 0.00 0.27 -2.27 0.00 0.00 179.45 178.34 1xtc n ASN 44 N -5.00 0.19 -0.36 4.20 0.23 -1.26 -4.81 115.26 108.45 1xtc n ASN 44 Ca 0.05 0.59 0.00 0.00 -0.53 0.00 0.00 54.58 54.68 1xtc n ASN 44 Cb 0.19 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.28 1xtc n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xtc n GLY 45 N -1.36 0.90 3.49 4.83 0.00 0.39 -5.06 105.19 108.39 1xtc n GLY 45 Ca -0.00 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1xtc n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtc s ALA 46 N -2.72 3.44 0.33 4.61 0.00 -1.19 -4.74 121.76 121.49 1xtc s ALA 46 Ca 0.00 -1.50 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 1xtc s ALA 46 Cb 0.00 -3.00 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 1xtc s ALA 46 CO 0.00 -1.49 0.85 0.42 0.00 0.00 0.00 175.76 175.54 1xtc s ILE 47 N 2.06 4.44 0.10 0.00 1.01 -1.26 -1.59 121.20 125.96 1xtc s ILE 47 Ca 0.11 1.42 -0.19 0.00 0.00 0.00 0.00 60.65 61.99 1xtc s ILE 47 Cb -0.17 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.57 1xtc s ILE 47 CO 0.13 -0.04 0.47 -0.36 0.00 0.00 0.00 174.94 175.13 1xtc s PHE 48 N -1.83 -0.33 0.03 3.97 0.08 0.59 -4.51 117.98 115.99 1xtc s PHE 48 Ca 0.53 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.76 1xtc s PHE 48 Cb -0.14 0.33 -0.02 0.00 -0.57 0.00 0.00 43.02 42.62 1xtc s PHE 48 CO 0.19 -0.69 -0.05 1.14 -0.10 0.00 0.00 175.22 175.71 1xtc s GLN 49 N -3.21 0.42 -0.36 0.44 -2.07 -1.26 -1.10 119.66 112.53 1xtc s GLN 49 Ca -0.01 -0.74 -0.03 0.00 -1.82 0.00 0.00 55.36 52.76 1xtc s GLN 49 Cb 0.00 -0.01 0.08 0.00 -1.09 0.00 0.00 33.01 31.99 1xtc s GLN 49 CO -0.08 -0.02 0.12 0.08 -1.32 0.00 0.00 175.29 174.07 1xtc s VAL 50 N -1.75 3.22 0.14 3.63 1.01 -0.68 0.95 120.40 126.91 1xtc s VAL 50 Ca -0.11 -1.73 -0.34 0.00 0.00 0.00 0.00 61.98 59.81 1xtc s VAL 50 Cb -0.08 -3.05 -0.17 0.00 0.00 0.00 0.00 36.38 33.09 1xtc s VAL 50 CO -0.02 -0.43 1.04 1.21 0.00 0.00 0.00 175.10 176.91 1xtc n GLU 51 N 4.62 0.73 -1.66 2.72 2.13 -1.26 -3.17 120.64 124.75 1xtc n GLU 51 Ca -0.07 0.26 -0.51 0.00 0.66 0.00 0.00 57.16 57.50 1xtc n GLU 51 Cb 0.42 -1.68 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 1xtc n GLU 51 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1xtc n VAL 52 N 1.28 0.22 -1.34 6.31 3.14 -1.23 -4.57 118.33 122.14 1xtc n VAL 52 Ca 0.17 -0.04 -0.08 0.00 -2.96 0.00 0.00 64.34 61.42 1xtc n VAL 52 Cb 0.21 -1.35 -0.07 0.00 -1.06 0.00 0.00 33.84 31.57 1xtc n VAL 52 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1xtc n PRO 53 N 4.44 0.07 -3.56 1.45 -0.04 -1.24 -4.79 135.00 131.33 1xtc n PRO 53 Ca 0.21 -0.91 -0.28 0.00 -0.04 0.00 0.00 63.50 62.48 1xtc n PRO 53 Cb 0.22 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.02 1xtc n PRO 53 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xtc s SER 54 N 4.84 6.42 0.00 3.54 1.04 -1.26 -4.98 113.70 123.31 1xtc s SER 54 Ca 0.50 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1xtc s SER 54 Cb -0.06 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1xtc s SER 54 CO 0.12 -0.09 0.49 -1.20 0.98 0.00 0.00 173.24 173.54 1xtc n SER 55 N -0.67 0.00 -1.78 7.02 7.64 -1.26 -2.44 113.62 122.13 1xtc n SER 55 Ca -0.03 0.10 -0.08 0.00 1.01 0.00 0.00 58.87 59.87 1xtc n SER 55 Cb 0.54 -0.10 0.21 0.00 -1.01 0.00 0.00 64.21 63.84 1xtc n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xtc n GLN 56 N -0.99 2.80 -4.26 1.43 10.64 -1.26 -4.92 117.38 120.83 1xtc n GLN 56 Ca 0.00 -2.34 -0.23 0.00 -1.83 0.00 0.00 57.00 52.60 1xtc n GLN 56 Cb 0.22 -1.98 -0.17 0.00 -0.86 0.00 0.00 30.24 27.46 1xtc n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1xtc s HIS 57 N -2.44 1.13 -0.15 2.61 0.09 -1.02 -5.10 115.29 110.42 1xtc s HIS 57 Ca 0.43 -0.41 -0.33 0.00 -0.00 0.00 0.00 55.06 54.74 1xtc s HIS 57 Cb 0.34 -0.92 -0.11 0.00 -0.00 0.00 0.00 32.58 31.90 1xtc s HIS 57 CO 0.10 -0.28 1.99 -0.89 -0.00 0.00 0.00 174.74 175.65 1xtc n ILE 58 N 4.18 0.50 -0.02 0.60 -0.00 -1.26 -4.71 119.36 118.65 1xtc n ILE 58 Ca -0.21 -0.19 0.00 0.00 -0.00 0.00 0.00 62.75 62.36 1xtc n ILE 58 Cb 0.51 -1.97 0.00 0.00 -0.00 0.00 0.00 39.64 38.19 1xtc n ILE 58 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1xtc n ASP 59 N 7.99 -0.02 -0.36 4.38 9.92 -1.26 0.25 116.55 137.45 1xtc n ASP 59 Ca 0.27 0.08 0.09 0.00 -0.53 0.00 0.00 54.79 54.70 1xtc n ASP 59 Cb 0.31 -0.02 0.27 0.00 -0.64 0.00 0.00 41.12 41.04 1xtc n ASP 59 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1xtc h SER 60 N 0.00 0.88 -0.71 -2.24 4.64 -2.02 -2.28 113.55 111.82 1xtc h SER 60 Ca 0.02 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1xtc h SER 60 Cb 0.03 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 1xtc h SER 60 CO -0.05 0.42 0.27 1.56 -0.87 0.00 0.00 176.83 178.16 1xtc h GLN 61 N 0.92 1.07 -0.93 4.77 4.20 0.31 -3.15 115.11 122.28 1xtc h GLN 61 Ca 0.52 -0.20 0.16 0.00 0.06 0.00 0.00 58.65 59.20 1xtc h GLN 61 Cb 0.63 -0.17 -0.08 0.00 0.30 0.00 0.00 27.48 28.16 1xtc h GLN 61 CO -0.30 0.89 0.60 -0.22 -0.67 0.00 0.00 178.83 179.13 1xtc h LYS 62 N 1.02 0.66 0.00 1.46 1.63 -0.95 0.12 116.57 120.51 1xtc h LYS 62 Ca 0.23 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.90 1xtc h LYS 62 Cb 0.23 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1xtc h LYS 62 CO -0.02 0.44 -0.47 0.87 -3.45 0.00 0.00 179.45 176.82 1xtc h LYS 63 N 0.68 0.00 0.05 1.90 1.57 -1.59 -3.34 116.57 115.85 1xtc h LYS 63 Ca 0.49 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.17 1xtc h LYS 63 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.16 1xtc h LYS 63 CO -0.25 0.47 -0.41 0.00 -0.57 0.00 0.00 179.45 178.69 1xtc h ALA 64 N 1.53 -0.02 -0.63 3.86 0.00 -1.36 -3.01 119.26 119.63 1xtc h ALA 64 Ca -0.00 -0.57 0.18 0.00 0.00 0.00 0.00 54.91 54.51 1xtc h ALA 64 Cb 1.36 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1xtc h ALA 64 CO 0.06 0.19 0.45 0.82 0.00 0.00 0.00 179.25 180.77 1xtc h ILE 65 N -0.58 0.68 0.08 0.00 5.03 -0.95 -1.72 117.51 120.05 1xtc h ILE 65 Ca -0.07 0.00 -0.23 0.00 -0.12 0.00 0.00 64.86 64.44 1xtc h ILE 65 Cb 1.27 0.68 -0.01 0.00 -3.03 0.00 0.00 36.82 35.73 1xtc h ILE 65 CO 0.08 0.00 -1.20 -0.08 -0.68 0.00 0.00 178.15 176.27 1xtc h GLU 66 N 0.00 0.17 -0.27 2.37 4.57 -1.66 -3.24 114.58 116.52 1xtc h GLU 66 Ca 0.30 -0.29 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1xtc h GLU 66 Cb 1.20 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.85 1xtc h GLU 66 CO -0.00 1.14 -0.03 -0.09 -1.18 0.00 0.00 179.01 178.84 1xtc h ARG 67 N -0.52 0.04 -0.04 1.92 2.43 -1.37 -2.84 114.38 114.00 1xtc h ARG 67 Ca -0.27 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1xtc h ARG 67 Cb 1.58 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 31.07 1xtc h ARG 67 CO 0.00 0.02 -0.53 1.98 -1.51 0.00 0.00 179.97 179.94 1xtc h MET 68 N 0.04 -0.61 0.00 0.20 4.05 -1.48 0.25 114.93 117.38 1xtc h MET 68 Ca 0.13 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1xtc h MET 68 Cb 0.18 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1xtc h MET 68 CO -0.24 -0.41 0.06 1.63 0.23 0.00 0.00 176.91 178.18 1xtc n LYS 69 N -5.38 0.00 -0.03 0.39 5.02 -1.08 0.75 118.16 117.83 1xtc n LYS 69 Ca -0.07 0.07 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 1xtc n LYS 69 Cb 0.38 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.76 1xtc n LYS 69 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xtc n ASP 70 N -0.90 2.89 0.08 4.39 9.92 0.76 -3.77 116.55 129.93 1xtc n ASP 70 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1xtc n ASP 70 Cb 0.06 0.93 -0.04 0.00 -0.64 0.00 0.00 41.12 41.43 1xtc n ASP 70 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1xtc h THR 71 N 0.00 1.52 0.45 -3.53 2.02 0.17 -3.25 112.91 110.29 1xtc h THR 71 Ca -0.16 -2.78 -0.02 0.00 0.77 0.00 0.00 66.41 64.22 1xtc h THR 71 Cb 1.19 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1xtc h THR 71 CO 0.01 0.81 -0.22 -0.07 0.37 0.00 0.00 175.52 176.42 1xtc h LEU 72 N 0.09 -0.51 -1.01 2.58 3.38 -1.49 0.30 115.31 118.66 1xtc h LEU 72 Ca -0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xtc h LEU 72 Cb 1.60 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1xtc h LEU 72 CO 0.14 -0.19 0.00 -0.09 0.09 0.00 0.00 178.44 178.40 1xtc h ARG 73 N -0.86 0.00 0.00 1.13 2.43 -1.70 0.28 114.38 115.67 1xtc h ARG 73 Ca -0.06 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1xtc h ARG 73 Cb 0.57 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1xtc h ARG 73 CO 0.10 0.00 -1.68 1.51 -1.51 0.00 0.00 179.97 178.40 1xtc n ILE 74 N -2.35 0.38 -0.01 1.20 3.06 -1.10 -3.13 119.36 117.41 1xtc n ILE 74 Ca 0.01 -0.38 -0.11 0.00 -2.50 0.00 0.00 62.75 59.77 1xtc n ILE 74 Cb 0.19 -0.21 0.03 0.00 0.54 0.00 0.00 39.64 40.18 1xtc n ILE 74 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1xtc h ALA 75 N 0.87 0.64 -0.39 1.51 0.00 -0.25 -2.90 119.26 118.73 1xtc h ALA 75 Ca -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1xtc h ALA 75 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xtc h ALA 75 CO 0.01 0.69 0.00 0.98 0.00 0.00 0.00 179.25 180.93 1xtc n TYR 76 N -3.97 0.00 0.00 0.00 9.36 0.97 -1.35 117.16 122.17 1xtc n TYR 76 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1xtc n TYR 76 Cb 0.61 -0.43 0.00 0.00 -0.63 0.00 0.00 39.34 38.89 1xtc n TYR 76 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1xtc n LEU 77 N -1.80 0.00 0.00 2.98 7.94 -1.18 0.21 117.00 125.14 1xtc n LEU 77 Ca 0.00 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1xtc n LEU 77 Cb 0.00 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 43.92 1xtc n LEU 77 CO 0.00 -0.03 0.15 1.07 -1.11 0.00 0.00 177.39 177.47 1xtc n THR 78 N -0.77 0.09 -4.13 1.96 5.66 -1.10 -5.01 114.28 110.99 1xtc n THR 78 Ca 0.00 -0.19 -0.29 0.00 -3.05 0.00 0.00 64.05 60.52 1xtc n THR 78 Cb 0.12 1.44 -0.06 0.00 -1.55 0.00 0.00 70.33 70.29 1xtc n THR 78 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xtc n GLU 79 N -0.05 -1.94 -0.18 1.09 1.02 0.57 -4.85 120.64 116.31 1xtc n GLU 79 Ca 0.00 0.24 -0.10 0.00 -0.02 0.00 0.00 57.16 57.28 1xtc n GLU 79 Cb 0.25 -3.96 0.01 0.00 -0.02 0.00 0.00 31.44 27.72 1xtc n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xtc h ALA 80 N 0.85 0.67 -2.66 0.62 0.00 -1.42 -3.47 119.26 113.85 1xtc h ALA 80 Ca -0.65 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1xtc h ALA 80 Cb 1.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1xtc h ALA 80 CO 0.66 0.45 -0.14 1.63 0.00 0.00 0.00 179.25 181.85 1xtc n LYS 81 N -4.35 -0.59 -2.38 0.00 5.02 -1.26 -4.93 118.16 109.68 1xtc n LYS 81 Ca 0.01 0.87 -0.34 0.00 -2.02 0.00 0.00 58.31 56.83 1xtc n LYS 81 Cb 0.30 -1.18 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 1xtc n LYS 81 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xtc s VAL 82 N -0.07 3.55 0.00 -0.18 1.01 -1.05 -4.37 120.40 119.29 1xtc s VAL 82 Ca -0.01 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1xtc s VAL 82 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1xtc s VAL 82 CO 0.04 -0.24 0.00 1.21 0.00 0.00 0.00 175.10 176.11 1xtc n GLU 83 N -1.22 0.00 -4.57 2.72 2.13 -0.12 -1.58 120.64 118.00 1xtc n GLU 83 Ca 0.10 0.08 -0.26 0.00 0.66 0.00 0.00 57.16 57.74 1xtc n GLU 83 Cb 0.52 -0.42 -0.11 0.00 0.27 0.00 0.00 31.44 31.70 1xtc n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xtc s LYS 84 N -0.52 1.86 -0.10 5.31 3.01 -1.25 0.17 119.74 128.22 1xtc s LYS 84 Ca 0.00 -2.04 -0.03 0.00 -1.01 0.00 0.00 55.97 52.89 1xtc s LYS 84 Cb 0.00 -1.43 0.04 0.00 -1.01 0.00 0.00 37.83 35.43 1xtc s LYS 84 CO 0.00 -0.07 0.09 -1.17 0.51 0.00 0.00 175.35 174.71 1xtc s LEU 85 N -3.64 0.17 0.11 3.17 2.96 -0.70 -1.84 118.68 118.91 1xtc s LEU 85 Ca 0.35 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 1xtc s LEU 85 Cb 0.09 -0.10 -0.06 0.00 0.50 0.00 0.00 46.19 46.62 1xtc s LEU 85 CO 0.17 -0.29 0.93 0.00 -1.32 0.00 0.00 176.35 175.85 1xtc s THR 87 N -0.11 0.14 -0.22 0.00 -4.23 -0.39 -0.75 115.64 110.08 1xtc s THR 87 Ca 0.45 -1.18 -0.22 0.00 -1.18 0.00 0.00 61.69 59.56 1xtc s THR 87 Cb -0.23 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1xtc s THR 87 CO 0.29 -0.65 0.72 0.26 -0.54 0.00 0.00 174.62 174.70 1xtc s TRP 88 N -2.95 3.34 -1.78 3.99 0.51 0.12 -1.81 118.94 120.36 1xtc s TRP 88 Ca -0.02 1.01 0.30 0.00 -2.12 0.00 0.00 56.10 55.27 1xtc s TRP 88 Cb 0.01 -2.92 1.55 0.00 -0.81 0.00 0.00 33.47 31.30 1xtc s TRP 88 CO -0.06 -0.29 2.04 0.27 -0.51 0.00 0.00 176.95 178.40 1xtc n ASN 89 N 5.54 0.24 -0.05 2.95 0.23 -0.88 -3.28 115.26 120.01 1xtc n ASN 89 Ca 0.02 -0.67 0.14 0.00 -0.53 0.00 0.00 54.58 53.53 1xtc n ASN 89 Cb 0.49 -0.10 0.54 0.00 -2.08 0.00 0.00 39.78 38.62 1xtc n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1xtc n ASN 90 N -0.98 0.31 -4.42 0.53 0.23 -1.26 -4.76 115.26 104.91 1xtc n ASN 90 Ca 0.18 -0.14 -0.26 0.00 -0.53 0.00 0.00 54.58 53.83 1xtc n ASN 90 Cb 0.21 -0.14 -0.12 0.00 -2.08 0.00 0.00 39.78 37.65 1xtc n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xtc s LYS 91 N -2.77 1.50 -0.17 -3.83 -0.14 -1.25 -5.08 119.74 108.01 1xtc s LYS 91 Ca 0.20 -1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.28 1xtc s LYS 91 Cb 0.19 -1.80 0.04 0.00 -1.68 0.00 0.00 37.83 34.58 1xtc s LYS 91 CO 0.54 0.39 -0.05 0.99 -0.76 0.00 0.00 175.35 176.47 1xtc s THR 92 N -1.72 1.06 0.18 2.17 2.01 -1.26 -1.20 115.64 116.88 1xtc s THR 92 Ca 0.21 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1xtc s THR 92 Cb -0.08 -1.26 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 1xtc s THR 92 CO 0.10 0.10 1.17 -2.84 -0.69 0.00 0.00 174.62 172.46 1xtc s PRO 93 N 1.65 4.51 -0.98 4.92 0.02 -1.26 -5.02 135.00 138.84 1xtc s PRO 93 Ca 0.01 1.83 -0.31 0.00 0.02 0.00 0.00 61.00 62.54 1xtc s PRO 93 Cb -0.15 -3.25 -0.22 0.00 0.02 0.00 0.00 34.50 30.89 1xtc s PRO 93 CO -0.08 -0.05 2.68 0.72 -0.33 0.00 0.00 177.00 179.94 1xtc n HIS 94 N 2.52 0.58 -1.57 6.54 8.25 -0.34 -4.16 115.22 127.04 1xtc n HIS 94 Ca 0.04 0.39 -0.38 0.00 -0.26 0.00 0.00 57.72 57.52 1xtc n HIS 94 Cb 0.45 -2.38 0.05 0.00 1.12 0.00 0.00 29.99 29.24 1xtc n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xtc n ALA 95 N 10.39 -0.19 -2.66 -1.41 0.00 -1.20 -3.98 120.51 121.45 1xtc n ALA 95 Ca 0.66 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.67 1xtc n ALA 95 Cb 0.03 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.38 1xtc n ALA 95 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xtc s ILE 96 N -1.59 5.01 -0.18 0.00 1.01 0.27 0.12 121.20 125.83 1xtc s ILE 96 Ca 0.75 1.25 0.14 0.00 0.00 0.00 0.00 60.65 62.79 1xtc s ILE 96 Cb -0.41 -3.97 -0.24 0.00 0.01 0.00 0.00 42.46 37.85 1xtc s ILE 96 CO 0.48 0.11 0.12 0.00 0.00 0.00 0.00 174.94 175.65 1xtc n ALA 97 N 5.00 1.47 -3.64 9.38 0.00 0.07 -4.87 120.51 127.93 1xtc n ALA 97 Ca -0.01 -1.21 -0.06 0.00 0.00 0.00 0.00 53.44 52.16 1xtc n ALA 97 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1xtc n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xtc s ALA 98 N -2.51 -1.72 0.03 0.00 0.00 -1.03 -4.98 121.76 111.54 1xtc s ALA 98 Ca -0.13 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1xtc s ALA 98 Cb 0.07 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1xtc s ALA 98 CO 0.80 -0.88 -0.06 -1.50 0.00 0.00 0.00 175.76 174.11 1xtc s ILE 99 N -3.23 0.40 0.19 0.00 2.07 -1.26 -1.12 121.20 118.25 1xtc s ILE 99 Ca 0.09 -0.79 0.08 0.00 -1.41 0.00 0.00 60.65 58.62 1xtc s ILE 99 Cb -0.01 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 1xtc s ILE 99 CO -0.03 -0.26 -0.15 -0.94 -1.91 0.00 0.00 174.94 171.64 1xtc s SER 100 N -1.13 2.57 -0.14 4.50 1.04 -0.76 -5.02 113.70 114.75 1xtc s SER 100 Ca -0.08 -0.96 -0.08 0.00 0.48 0.00 0.00 55.95 55.31 1xtc s SER 100 Cb -0.08 -0.14 0.05 0.00 0.10 0.00 0.00 66.02 65.96 1xtc s SER 100 CO 0.00 -0.13 0.35 -0.04 0.98 0.00 0.00 173.24 174.40 1xtc s MET 101 N -3.33 0.33 -0.20 4.02 -1.94 -1.26 -0.95 119.30 115.97 1xtc s MET 101 Ca 0.20 0.67 -0.25 0.00 -1.71 0.00 0.00 55.69 54.60 1xtc s MET 101 Cb -0.03 -0.04 0.07 0.00 2.01 0.00 0.00 34.83 36.84 1xtc s MET 101 CO 0.07 -0.15 0.67 0.00 -0.01 0.00 0.00 175.02 175.60 1xtc s ALA 102 N 1.24 -1.69 0.00 3.03 0.00 -1.26 -4.94 121.76 118.14 1xtc s ALA 102 Ca -0.09 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1xtc s ALA 102 Cb -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1xtc s ALA 102 CO -0.10 -0.33 0.00 0.09 0.00 0.00 0.00 175.76 175.41