#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z5s n GLY 3 N 0.00 -0.66 2.50 0.00 0.00 -1.25 -4.91 105.19 100.87 1z5s n GLY 3 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1z5s n GLY 3 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1z5s n ILE 4 N -2.15 1.77 0.09 -0.61 5.41 -1.26 -4.94 119.36 117.67 1z5s n ILE 4 Ca 0.00 -3.43 -0.06 0.00 1.00 0.00 0.00 62.75 60.26 1z5s n ILE 4 Cb 0.00 0.32 -0.03 0.00 -0.71 0.00 0.00 39.64 39.22 1z5s n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1z5s h ALA 5 N 2.43 -0.87 -0.05 -1.39 0.00 -1.80 -2.00 119.26 115.58 1z5s h ALA 5 Ca 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1z5s h ALA 5 Cb 1.38 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1z5s h ALA 5 CO 0.41 -0.88 0.42 -0.07 0.00 0.00 0.00 179.25 179.13 1z5s h LEU 6 N -0.32 0.00 0.00 0.00 3.38 -1.91 0.23 115.31 116.69 1z5s h LEU 6 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1z5s h LEU 6 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1z5s h LEU 6 CO -0.03 0.00 -0.37 0.28 0.09 0.00 0.00 178.44 178.41 1z5s h SER 7 N 0.00 0.00 -0.50 -0.43 0.02 -1.91 -2.44 113.55 108.29 1z5s h SER 7 Ca 0.03 -0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1z5s h SER 7 Cb 0.87 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.31 1z5s h SER 7 CO -0.00 0.72 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.20 1z5s h ARG 8 N -1.00 0.00 -0.25 3.45 2.43 -0.96 0.45 114.38 118.51 1z5s h ARG 8 Ca -0.02 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1z5s h ARG 8 Cb 0.40 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1z5s h ARG 8 CO -0.01 0.00 0.07 -0.07 -1.51 0.00 0.00 179.97 178.45 1z5s h LEU 9 N 0.00 0.05 -0.28 3.80 3.38 -1.13 0.43 115.31 121.57 1z5s h LEU 9 Ca 0.24 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1z5s h LEU 9 Cb 0.37 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1z5s h LEU 9 CO -0.51 0.06 -0.26 0.00 0.09 0.00 0.00 178.44 177.81 1z5s h ALA 10 N 1.17 -0.14 -0.09 1.53 0.00 -0.41 -1.37 119.26 119.95 1z5s h ALA 10 Ca 0.11 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1z5s h ALA 10 Cb 0.10 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1z5s h ALA 10 CO -0.13 -0.68 -0.10 1.96 0.00 0.00 0.00 179.25 180.30 1z5s h GLN 11 N -0.26 -0.12 -0.44 0.00 1.08 0.82 -1.72 115.11 114.48 1z5s h GLN 11 Ca 0.15 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.48 1z5s h GLN 11 Cb 0.48 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1z5s h GLN 11 CO -0.42 -0.08 0.34 0.93 -0.95 0.00 0.00 178.83 178.65 1z5s h GLU 12 N -0.12 0.00 0.03 1.46 5.08 0.55 0.28 114.58 121.85 1z5s h GLU 12 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1z5s h GLU 12 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1z5s h GLU 12 CO -0.16 0.00 -0.01 -0.09 -1.00 0.00 0.00 179.01 177.74 1z5s h ARG 13 N 0.00 -0.04 0.45 2.33 9.65 -0.36 0.13 114.38 126.55 1z5s h ARG 13 Ca 0.21 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 1z5s h ARG 13 Cb 0.89 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.46 1z5s h ARG 13 CO -0.00 0.46 -0.37 0.87 2.80 0.00 0.00 179.97 183.72 1z5s h LYS 14 N -0.56 -0.79 -0.75 0.20 1.57 -0.86 0.75 116.57 116.13 1z5s h LYS 14 Ca -0.00 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 58.99 1z5s h LYS 14 Cb 0.51 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.89 1z5s h LYS 14 CO 0.01 -0.53 0.21 0.00 -0.57 0.00 0.00 179.45 178.57 1z5s h ALA 15 N -0.43 1.01 -0.99 3.86 0.00 -0.56 0.12 119.26 122.27 1z5s h ALA 15 Ca -0.04 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1z5s h ALA 15 Cb 0.71 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1z5s h ALA 15 CO -0.01 -0.33 0.65 2.35 0.00 0.00 0.00 179.25 181.92 1z5s h TRP 16 N 0.30 1.24 0.26 0.00 2.91 0.15 0.10 115.95 120.90 1z5s h TRP 16 Ca 0.43 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.47 1z5s h TRP 16 Cb 0.73 -0.42 0.00 0.00 -0.51 0.00 0.00 29.16 28.97 1z5s h TRP 16 CO -0.24 0.76 -0.12 0.00 -1.03 0.00 0.00 178.44 177.80 1z5s h ARG 17 N 1.31 -0.33 0.13 2.65 3.08 0.15 -3.24 114.38 118.13 1z5s h ARG 17 Ca 0.37 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.46 1z5s h ARG 17 Cb -0.11 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1z5s h ARG 17 CO -0.09 -0.02 -0.29 0.87 -1.07 0.00 0.00 179.97 179.36 1z5s h LYS 18 N -0.67 -0.50 -4.95 0.04 1.79 -1.02 -3.43 116.57 107.84 1z5s h LYS 18 Ca -0.04 0.03 -0.42 0.00 -2.18 0.00 0.00 60.65 58.05 1z5s h LYS 18 Cb 0.47 0.11 -0.28 0.00 -1.58 0.00 0.00 32.23 30.95 1z5s h LYS 18 CO 0.06 -0.33 -0.79 0.34 -1.08 0.00 0.00 179.45 177.65 1z5s s ASP 19 N -4.79 1.29 -0.24 0.86 2.15 0.34 -5.11 116.67 111.16 1z5s s ASP 19 Ca -0.16 -0.23 -0.30 0.00 0.43 0.00 0.00 52.55 52.30 1z5s s ASP 19 Cb 0.08 -0.13 0.17 0.00 -0.30 0.00 0.00 42.92 42.74 1z5s s ASP 19 CO 0.65 0.11 1.24 -1.38 -0.17 0.00 0.00 175.17 175.62 1z5s s HIS 20 N -0.34 -0.15 0.55 -5.34 -3.43 -1.24 -3.71 115.29 101.62 1z5s s HIS 20 Ca 0.04 0.25 -0.19 0.00 -0.80 0.00 0.00 55.06 54.35 1z5s s HIS 20 Cb -0.05 0.48 -0.08 0.00 -1.43 0.00 0.00 32.58 31.50 1z5s s HIS 20 CO -0.00 -0.14 0.70 -0.35 -2.00 0.00 0.00 174.74 172.95 1z5s n PRO 21 N 0.58 0.71 -2.58 -0.38 -0.04 -1.26 -4.92 135.00 127.11 1z5s n PRO 21 Ca -0.03 0.27 -0.41 0.00 -0.04 0.00 0.00 63.50 63.29 1z5s n PRO 21 Cb 0.59 -1.85 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 1z5s n PRO 21 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1z5s s PHE 22 N -1.59 3.70 0.00 0.54 5.36 -1.26 -3.43 117.98 121.30 1z5s s PHE 22 Ca 0.70 1.71 0.00 0.00 -0.96 0.00 0.00 56.93 58.38 1z5s s PHE 22 Cb -0.46 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 1z5s s PHE 22 CO 0.53 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 174.44 1z5s n GLY 23 N 1.78 1.77 3.87 13.12 0.00 -1.26 -4.96 105.19 119.52 1z5s n GLY 23 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1z5s n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1z5s s PHE 24 N -2.56 3.52 -0.06 1.61 0.40 -1.22 -4.12 117.98 115.55 1z5s s PHE 24 Ca 0.00 0.77 0.02 0.00 -0.60 0.00 0.00 56.93 57.13 1z5s s PHE 24 Cb 0.00 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.38 1z5s s PHE 24 CO 0.00 0.43 -0.13 0.08 0.70 0.00 0.00 175.22 176.31 1z5s s VAL 25 N -1.57 1.15 -0.39 -0.44 1.01 -0.86 -4.94 120.40 114.36 1z5s s VAL 25 Ca 0.39 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1z5s s VAL 25 Cb -0.13 -1.04 0.29 0.00 0.00 0.00 0.00 36.38 35.49 1z5s s VAL 25 CO 0.21 0.36 0.64 0.00 0.00 0.00 0.00 175.10 176.30 1z5s n ALA 26 N 3.73 1.89 -2.67 5.51 0.00 -1.26 -0.26 120.51 127.44 1z5s n ALA 26 Ca -0.22 -3.19 -0.38 0.00 0.00 0.00 0.00 53.44 49.65 1z5s n ALA 26 Cb 0.52 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1z5s n ALA 26 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1z5s s VAL 27 N -1.42 5.21 0.65 0.00 1.01 -1.18 -4.85 120.40 119.81 1z5s s VAL 27 Ca 0.36 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 1z5s s VAL 27 Cb 0.24 -3.72 0.17 0.00 0.00 0.00 0.00 36.38 33.07 1z5s s VAL 27 CO -0.11 0.26 0.45 -2.65 0.00 0.00 0.00 175.10 173.06 1z5s n PRO 28 N 4.40 -2.84 -0.67 2.72 -0.02 -1.26 -0.63 135.00 136.68 1z5s n PRO 28 Ca -0.09 -0.74 0.00 0.00 -2.02 0.00 0.00 63.50 60.65 1z5s n PRO 28 Cb 0.51 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 1z5s n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1z5s n THR 29 N -4.06 0.00 -4.12 3.45 -2.24 -0.81 -4.55 114.28 101.95 1z5s n THR 29 Ca 0.07 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1z5s n THR 29 Cb 0.28 -0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 67.99 1z5s n THR 29 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1z5s s LYS 30 N 0.20 0.68 0.79 -0.78 1.02 -1.26 0.02 119.74 120.41 1z5s s LYS 30 Ca 0.00 -0.96 -0.08 0.00 0.02 0.00 0.00 55.97 54.95 1z5s s LYS 30 Cb 0.00 -0.40 0.12 0.00 -0.52 0.00 0.00 37.83 37.03 1z5s s LYS 30 CO 0.00 0.06 1.11 -0.80 -0.92 0.00 0.00 175.35 174.81 1z5s s ASN 31 N -2.01 4.15 0.21 2.83 0.01 -1.04 -4.68 114.94 114.41 1z5s s ASN 31 Ca -0.02 0.21 -0.05 0.00 -0.71 0.00 0.00 52.86 52.28 1z5s s ASN 31 Cb -0.06 -0.59 0.18 0.00 0.41 0.00 0.00 41.25 41.19 1z5s s ASN 31 CO -0.00 -2.04 1.66 1.55 -1.51 0.00 0.00 177.10 176.76 1z5s h PRO 32 N -0.93 0.88 0.00 -0.60 0.13 -2.01 -2.54 132.00 126.93 1z5s h PRO 32 Ca -0.42 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1z5s h PRO 32 Cb 1.28 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1z5s h PRO 32 CO 0.48 0.94 0.22 -0.25 -0.23 0.00 0.00 178.00 179.17 1z5s n ASP 33 N -4.15 0.00 0.00 1.44 9.92 -1.26 -4.66 116.55 117.83 1z5s n ASP 33 Ca 0.01 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 1z5s n ASP 33 Cb 0.38 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1z5s n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1z5s n GLY 34 N -1.12 3.07 0.53 0.44 0.00 -0.95 -5.01 105.19 102.16 1z5s n GLY 34 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1z5s n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1z5s n THR 35 N -1.39 0.00 -4.34 2.61 -2.24 -1.26 -4.69 114.28 102.96 1z5s n THR 35 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1z5s n THR 35 Cb 0.00 -0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 1z5s n THR 35 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1z5s s MET 36 N -2.79 3.26 -0.28 -0.78 -2.45 -1.26 -2.49 119.30 112.51 1z5s s MET 36 Ca 0.09 -0.43 -0.17 0.00 -1.25 0.00 0.00 55.69 53.94 1z5s s MET 36 Cb -0.02 -2.87 -0.03 0.00 1.25 0.00 0.00 34.83 33.17 1z5s s MET 36 CO 0.08 0.54 0.45 1.21 1.05 0.00 0.00 175.02 178.35 1z5s s ASN 37 N -0.43 6.34 -0.02 1.11 3.04 0.10 -4.65 114.94 120.43 1z5s s ASN 37 Ca 0.08 0.35 0.21 0.00 0.04 0.00 0.00 52.86 53.53 1z5s s ASN 37 Cb -0.12 -2.25 -0.26 0.00 -1.54 0.00 0.00 41.25 37.08 1z5s s ASN 37 CO 0.02 -0.26 0.51 0.18 -3.04 0.00 0.00 177.10 174.51 1z5s n LEU 38 N 5.47 0.19 0.00 3.21 4.77 -1.26 -2.89 117.00 126.49 1z5s n LEU 38 Ca -0.06 0.08 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1z5s n LEU 38 Cb 0.50 0.09 0.47 0.00 -2.33 0.00 0.00 43.42 42.14 1z5s n LEU 38 CO 0.39 0.08 0.77 0.23 -1.33 0.00 0.00 177.39 177.53 1z5s n MET 39 N -2.46 0.93 -3.51 3.23 2.81 -1.26 -4.63 117.12 112.23 1z5s n MET 39 Ca -0.09 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.79 1z5s n MET 39 Cb 0.69 -1.26 -0.04 0.00 -0.71 0.00 0.00 33.22 31.90 1z5s n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1z5s s ASN 40 N -1.56 -0.98 0.46 7.83 3.84 -1.26 -1.28 114.94 121.99 1z5s s ASN 40 Ca 0.24 1.23 0.06 0.00 0.21 0.00 0.00 52.86 54.59 1z5s s ASN 40 Cb 0.11 2.05 -0.02 0.00 -0.55 0.00 0.00 41.25 42.84 1z5s s ASN 40 CO 0.18 -0.24 0.19 0.26 -2.79 0.00 0.00 177.10 174.71 1z5s s TRP 41 N 2.82 2.23 -0.35 0.43 0.52 -0.69 -1.93 118.94 121.97 1z5s s TRP 41 Ca 0.03 -0.72 -0.00 0.00 0.02 0.00 0.00 56.10 55.42 1z5s s TRP 41 Cb -0.13 -1.88 0.12 0.00 -1.15 0.00 0.00 33.47 30.43 1z5s s TRP 41 CO -0.18 0.05 0.17 -1.21 0.02 0.00 0.00 176.95 175.79 1z5s s GLU 42 N -3.98 0.76 0.40 4.98 2.02 0.19 -2.76 118.70 120.32 1z5s s GLU 42 Ca 0.32 -1.32 0.03 0.00 0.02 0.00 0.00 54.97 54.03 1z5s s GLU 42 Cb 0.02 -1.81 -0.00 0.00 0.10 0.00 0.00 34.13 32.44 1z5s s GLU 42 CO 0.18 -1.09 0.59 0.00 0.02 0.00 0.00 175.26 174.96 1z5s s ALA 44 N -2.39 -0.98 -0.11 0.00 0.00 0.63 0.06 121.76 118.97 1z5s s ALA 44 Ca 0.47 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1z5s s ALA 44 Cb -0.10 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1z5s s ALA 44 CO 0.35 -1.26 0.45 0.42 0.00 0.00 0.00 175.76 175.72 1z5s s ILE 45 N 2.52 5.19 0.96 0.00 1.01 0.39 -2.03 121.20 129.24 1z5s s ILE 45 Ca 0.12 0.91 -0.12 0.00 0.00 0.00 0.00 60.65 61.55 1z5s s ILE 45 Cb -0.15 -3.79 0.17 0.00 0.01 0.00 0.00 42.46 38.69 1z5s s ILE 45 CO -0.16 0.35 1.10 -2.16 0.00 0.00 0.00 174.94 174.08 1z5s s PRO 46 N 0.50 0.71 0.00 2.79 0.04 -1.26 -0.20 135.00 137.59 1z5s s PRO 46 Ca 0.25 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1z5s s PRO 46 Cb -0.15 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1z5s s PRO 46 CO 0.10 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.02 1z5s n GLY 47 N -1.42 -0.63 2.86 0.56 0.00 -0.17 -4.79 105.19 101.60 1z5s n GLY 47 Ca 0.06 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1z5s n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1z5s s LYS 48 N 0.00 0.32 -0.17 1.61 2.20 -1.26 -4.88 119.74 117.56 1z5s s LYS 48 Ca 0.00 0.37 -0.42 0.00 -0.36 0.00 0.00 55.97 55.56 1z5s s LYS 48 Cb 0.00 -0.64 -0.19 0.00 -1.51 0.00 0.00 37.83 35.49 1z5s s LYS 48 CO 0.00 -0.71 1.36 0.36 -0.36 0.00 0.00 175.35 175.99 1z5s n LYS 49 N 5.35 0.33 0.00 4.03 -0.00 -1.26 -0.98 118.16 125.62 1z5s n LYS 49 Ca -0.04 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1z5s n LYS 49 Cb 0.50 -1.67 0.00 0.00 -0.00 0.00 0.00 35.03 33.86 1z5s n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1z5s n GLY 50 N 2.75 2.76 3.65 2.58 0.00 -1.26 -5.03 105.19 110.63 1z5s n GLY 50 Ca 0.24 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1z5s n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1z5s n THR 51 N 0.00 0.00 1.24 2.61 -2.24 -0.16 -4.86 114.28 110.87 1z5s n THR 51 Ca 0.00 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1z5s n THR 51 Cb 0.00 -0.99 0.62 0.00 -2.10 0.00 0.00 70.33 67.86 1z5s n THR 51 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1z5s n PRO 52 N -4.24 0.52 0.00 -0.78 -0.04 -1.26 -2.33 135.00 126.86 1z5s n PRO 52 Ca 0.11 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.75 1z5s n PRO 52 Cb 0.52 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 33.01 1z5s n PRO 52 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1z5s n TRP 53 N -1.14 0.00 -0.76 0.54 7.02 -1.26 -3.84 117.44 117.99 1z5s n TRP 53 Ca 0.14 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.31 1z5s n TRP 53 Cb 0.13 -0.11 0.16 0.00 -2.42 0.00 0.00 31.31 29.07 1z5s n TRP 53 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1z5s s GLU 54 N -2.35 1.12 0.00 -0.99 2.12 -0.99 -3.86 118.70 113.76 1z5s s GLU 54 Ca 0.30 1.49 0.00 0.00 0.36 0.00 0.00 54.97 57.12 1z5s s GLU 54 Cb 0.20 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.85 1z5s s GLU 54 CO 0.45 -2.54 0.00 0.41 -0.54 0.00 0.00 175.26 173.04 1z5s n GLY 55 N 0.05 2.68 3.90 -1.50 0.00 -1.26 -4.69 105.19 104.38 1z5s n GLY 55 Ca 0.11 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 1z5s n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1z5s s GLY 56 N 0.00 1.60 -0.18 -0.02 0.00 -1.18 -4.08 107.32 103.45 1z5s s GLY 56 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1z5s s GLY 56 CO 0.00 -0.26 -0.09 -2.27 0.00 0.00 0.00 173.10 170.48 1z5s s LEU 57 N -5.04 1.95 -0.28 0.66 0.20 0.48 -1.00 118.68 115.65 1z5s s LEU 57 Ca 0.54 -0.76 -0.09 0.00 0.69 0.00 0.00 54.13 54.51 1z5s s LEU 57 Cb -0.11 -1.10 -0.03 0.00 -0.43 0.00 0.00 46.19 44.53 1z5s s LEU 57 CO 0.47 -0.15 0.13 -0.36 -0.29 0.00 0.00 176.35 176.15 1z5s s PHE 58 N 1.50 3.15 0.56 5.38 0.08 0.73 -4.80 117.98 124.57 1z5s s PHE 58 Ca 0.00 -0.28 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 1z5s s PHE 58 Cb -0.15 -2.32 -0.06 0.00 -0.57 0.00 0.00 43.02 39.92 1z5s s PHE 58 CO -0.08 -0.32 1.03 0.21 -0.10 0.00 0.00 175.22 175.95 1z5s s LYS 59 N 1.66 3.61 -0.24 0.44 2.20 -1.26 -0.46 119.74 125.69 1z5s s LYS 59 Ca 0.06 1.09 -0.26 0.00 -0.36 0.00 0.00 55.97 56.51 1z5s s LYS 59 Cb -0.16 -2.08 0.07 0.00 -1.51 0.00 0.00 37.83 34.15 1z5s s LYS 59 CO 0.07 -0.56 0.71 -0.48 -0.36 0.00 0.00 175.35 174.73 1z5s s LEU 60 N -4.31 -0.73 0.75 5.43 0.05 0.11 -2.32 118.68 117.66 1z5s s LEU 60 Ca 0.61 1.36 -0.04 0.00 0.05 0.00 0.00 54.13 56.11 1z5s s LEU 60 Cb -0.13 2.47 0.13 0.00 -2.05 0.00 0.00 46.19 46.60 1z5s s LEU 60 CO 0.34 -0.29 1.03 -0.60 -0.55 0.00 0.00 176.35 176.29 1z5s s ARG 61 N 0.19 1.62 -0.29 1.48 3.52 0.11 -0.13 118.95 125.45 1z5s s ARG 61 Ca -0.01 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 1z5s s ARG 61 Cb -0.04 -2.25 0.18 0.00 -1.56 0.00 0.00 34.95 31.28 1z5s s ARG 61 CO 0.02 -1.53 0.53 1.41 -0.81 0.00 0.00 175.30 174.91 1z5s s MET 62 N -5.25 0.50 -0.22 5.12 -2.45 -1.11 -3.27 119.30 112.63 1z5s s MET 62 Ca 0.66 0.59 -0.11 0.00 -1.25 0.00 0.00 55.69 55.59 1z5s s MET 62 Cb -0.06 0.12 -0.05 0.00 1.25 0.00 0.00 34.83 36.09 1z5s s MET 62 CO 0.45 -0.87 0.16 -0.51 1.05 0.00 0.00 175.02 175.30 1z5s s LEU 63 N 2.74 4.16 0.04 4.11 1.43 -0.70 -1.70 118.68 128.76 1z5s s LEU 63 Ca 0.13 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1z5s s LEU 63 Cb -0.13 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1z5s s LEU 63 CO -0.24 0.11 0.03 -0.36 0.23 0.00 0.00 176.35 176.12 1z5s s PHE 64 N 0.74 3.11 0.43 0.29 0.40 -0.40 -1.33 117.98 121.22 1z5s s PHE 64 Ca 0.08 0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.56 1z5s s PHE 64 Cb -0.12 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.78 1z5s s PHE 64 CO 0.02 0.49 0.59 0.15 0.70 0.00 0.00 175.22 177.17 1z5s s LYS 65 N -1.94 2.79 0.38 0.44 -0.14 -1.26 -4.78 119.74 115.22 1z5s s LYS 65 Ca 0.24 -1.26 0.09 0.00 -1.36 0.00 0.00 55.97 53.68 1z5s s LYS 65 Cb -0.12 -2.75 0.84 0.00 -1.68 0.00 0.00 37.83 34.12 1z5s s LYS 65 CO 0.15 -0.32 1.92 0.22 -0.76 0.00 0.00 175.35 176.57 1z5s h ASP 66 N 0.60 0.60 -0.74 2.83 -0.00 -2.00 -2.93 116.42 114.77 1z5s h ASP 66 Ca -0.39 0.02 -0.03 0.00 -0.00 0.00 0.00 57.03 56.63 1z5s h ASP 66 Cb 1.28 -0.10 -0.04 0.00 -0.00 0.00 0.00 39.33 40.47 1z5s h ASP 66 CO 0.45 0.34 0.36 -2.24 -0.00 0.00 0.00 179.24 178.15 1z5s h ASP 67 N 0.65 0.98 -0.64 2.28 3.04 -1.92 -3.31 116.42 117.50 1z5s h ASP 67 Ca 0.36 -0.11 -0.30 0.00 -3.24 0.00 0.00 57.03 53.74 1z5s h ASP 67 Cb 0.53 -0.25 0.06 0.00 -1.04 0.00 0.00 39.33 38.63 1z5s h ASP 67 CO -0.14 0.83 -0.35 0.00 -2.04 0.00 0.00 179.24 177.54 1z5s n TYR 68 N -4.32 -0.64 1.87 4.15 9.36 -1.11 -2.62 117.16 123.86 1z5s n TYR 68 Ca 0.07 0.37 0.14 0.00 3.32 0.00 0.00 57.90 61.80 1z5s n TYR 68 Cb 0.14 -0.87 0.75 0.00 -0.63 0.00 0.00 39.34 38.73 1z5s n TYR 68 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1z5s n PRO 69 N 0.55 1.15 -0.07 2.98 -0.04 -1.26 -3.51 135.00 134.80 1z5s n PRO 69 Ca 0.07 -0.22 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 1z5s n PRO 69 Cb 0.15 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 1z5s n PRO 69 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1z5s h SER 70 N 0.50 -0.60 -2.86 3.54 0.02 -1.90 -3.39 113.55 108.86 1z5s h SER 70 Ca 0.00 0.08 -0.64 0.00 -0.84 0.00 0.00 61.79 60.40 1z5s h SER 70 Cb 0.11 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1z5s h SER 70 CO 0.00 -0.10 -0.33 -0.55 -1.14 0.00 0.00 176.83 174.71 1z5s s SER 71 N -3.54 6.62 1.18 3.07 0.15 -1.26 -4.72 113.70 115.20 1z5s s SER 71 Ca -0.04 0.74 -0.13 0.00 0.70 0.00 0.00 55.95 57.22 1z5s s SER 71 Cb 0.03 -2.17 0.29 0.00 -1.71 0.00 0.00 66.02 62.46 1z5s s SER 71 CO 0.19 0.36 0.97 -0.81 1.20 0.00 0.00 173.24 175.14 1z5s n PRO 72 N 1.94 -2.51 -3.39 5.44 -0.04 -1.26 -4.08 135.00 131.10 1z5s n PRO 72 Ca -0.17 -0.70 -0.36 0.00 -0.04 0.00 0.00 63.50 62.23 1z5s n PRO 72 Cb 0.53 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1z5s n PRO 72 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1z5s s PRO 73 N -4.35 3.99 0.29 0.54 0.02 -1.26 -4.77 135.00 129.46 1z5s s PRO 73 Ca 0.68 0.49 -0.28 0.00 0.02 0.00 0.00 61.00 61.92 1z5s s PRO 73 Cb -0.25 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.12 1z5s s PRO 73 CO 0.65 0.56 0.96 0.21 -0.33 0.00 0.00 177.00 179.06 1z5s s LYS 74 N -1.61 4.69 -0.05 5.54 2.20 -0.44 -4.90 119.74 125.17 1z5s s LYS 74 Ca 0.33 1.45 0.02 0.00 -0.36 0.00 0.00 55.97 57.41 1z5s s LYS 74 Cb -0.16 -3.03 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 1z5s s LYS 74 CO 0.18 0.36 -0.11 0.00 -0.36 0.00 0.00 175.35 175.42 1z5s s LYS 76 N 0.49 0.77 0.02 0.00 1.02 -1.20 -1.40 119.74 119.43 1z5s s LYS 76 Ca -0.10 -0.19 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 1z5s s LYS 76 Cb -0.13 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1z5s s LYS 76 CO 0.02 0.03 0.92 -0.06 -0.92 0.00 0.00 175.35 175.35 1z5s s PHE 77 N 0.41 3.68 -0.28 3.18 0.40 0.13 0.10 117.98 125.61 1z5s s PHE 77 Ca -0.06 1.64 0.03 0.00 -0.60 0.00 0.00 56.93 57.95 1z5s s PHE 77 Cb -0.10 -3.04 0.07 0.00 0.51 0.00 0.00 43.02 40.46 1z5s s PHE 77 CO 0.00 0.06 -0.07 -1.21 0.70 0.00 0.00 175.22 174.71 1z5s s GLU 78 N 0.72 2.04 0.89 0.44 2.02 -0.98 -2.38 118.70 121.45 1z5s s GLU 78 Ca 0.48 -1.48 -0.14 0.00 0.02 0.00 0.00 54.97 53.85 1z5s s GLU 78 Cb -0.21 -2.97 0.15 0.00 0.10 0.00 0.00 34.13 31.20 1z5s s GLU 78 CO 0.27 -0.66 1.25 -1.25 0.02 0.00 0.00 175.26 174.88 1z5s s PRO 79 N 1.05 1.22 0.43 0.39 0.04 -1.26 -4.34 135.00 132.53 1z5s s PRO 79 Ca -0.04 -0.23 -0.26 0.00 0.04 0.00 0.00 61.00 60.51 1z5s s PRO 79 Cb -0.20 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1z5s s PRO 79 CO -0.06 -2.04 1.36 -2.30 0.04 0.00 0.00 177.00 174.00 1z5s n PRO 80 N -3.54 2.13 -2.96 0.56 -0.02 -1.00 -4.96 135.00 125.21 1z5s n PRO 80 Ca 0.12 0.76 -0.20 0.00 -2.02 0.00 0.00 63.50 62.16 1z5s n PRO 80 Cb 0.60 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1z5s n PRO 80 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1z5s s LEU 81 N -2.12 3.58 -0.69 2.45 1.43 -1.26 -5.02 118.68 117.05 1z5s s LEU 81 Ca 0.60 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 1z5s s LEU 81 Cb -0.48 -2.85 0.18 0.00 0.03 0.00 0.00 46.19 43.07 1z5s s LEU 81 CO 0.58 -0.82 0.61 0.12 0.23 0.00 0.00 176.35 177.08 1z5s s PHE 82 N -2.50 3.55 -0.25 0.29 5.36 -1.26 -4.93 117.98 118.23 1z5s s PHE 82 Ca 0.53 -1.86 -0.14 0.00 -0.96 0.00 0.00 56.93 54.49 1z5s s PHE 82 Cb -0.10 -3.71 0.07 0.00 -0.34 0.00 0.00 43.02 38.94 1z5s s PHE 82 CO 0.35 -0.98 0.62 -1.58 -1.46 0.00 0.00 175.22 172.17 1z5s s HIS 83 N 0.68 -0.94 0.37 10.12 2.46 -1.26 -4.98 115.29 121.74 1z5s s HIS 83 Ca 0.12 1.90 0.29 0.00 0.47 0.00 0.00 55.06 57.84 1z5s s HIS 83 Cb -0.19 0.53 1.23 0.00 -0.13 0.00 0.00 32.58 34.03 1z5s s HIS 83 CO -0.04 -0.48 1.25 -2.30 -2.47 0.00 0.00 174.74 170.70 1z5s n PRO 84 N 4.26 -0.02 -0.88 2.88 -0.02 -1.26 -1.08 135.00 138.87 1z5s n PRO 84 Ca -0.21 0.98 -0.07 0.00 -2.02 0.00 0.00 63.50 62.18 1z5s n PRO 84 Cb 0.58 -1.98 0.20 0.00 -0.02 0.00 0.00 33.50 32.27 1z5s n PRO 84 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1z5s n ASN 85 N -4.15 2.77 -3.96 2.55 4.13 -1.26 -1.53 115.26 113.81 1z5s n ASN 85 Ca 0.33 -3.72 -0.31 0.00 1.68 0.00 0.00 54.58 52.56 1z5s n ASN 85 Cb 1.33 -0.67 -0.15 0.00 -1.54 0.00 0.00 39.78 38.74 1z5s n ASN 85 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1z5s s VAL 86 N -3.24 1.61 1.00 2.41 1.01 -0.24 -2.09 120.40 120.85 1z5s s VAL 86 Ca 0.47 -1.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1z5s s VAL 86 Cb 0.42 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1z5s s VAL 86 CO 0.02 -0.10 -0.02 -1.22 0.00 0.00 0.00 175.10 173.78 1z5s n TYR 87 N 4.64 -2.08 0.23 5.22 4.01 0.07 -4.56 117.16 124.69 1z5s n TYR 87 Ca -0.12 0.19 0.06 0.00 -0.16 0.00 0.00 57.90 57.88 1z5s n TYR 87 Cb 0.44 -1.65 0.54 0.00 -0.31 0.00 0.00 39.34 38.36 1z5s n TYR 87 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1z5s h PRO 88 N -1.55 0.00 0.00 -0.72 0.11 -1.89 0.01 132.00 127.96 1z5s h PRO 88 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1z5s h PRO 88 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1z5s h PRO 88 CO 0.32 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 1z5s n SER 89 N -4.25 0.44 0.00 -2.05 3.41 -1.26 -4.83 113.62 105.08 1z5s n SER 89 Ca -0.02 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1z5s n SER 89 Cb 0.24 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1z5s n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1z5s n GLY 90 N 0.13 0.62 3.77 5.00 0.00 -0.01 -4.78 105.19 109.92 1z5s n GLY 90 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1z5s n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1z5s s THR 91 N -2.22 3.03 -0.28 2.61 2.01 -1.25 0.23 115.64 119.77 1z5s s THR 91 Ca 0.00 1.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.91 1z5s s THR 91 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1z5s s THR 91 CO 0.00 0.23 0.25 -0.69 -0.69 0.00 0.00 174.62 173.72 1z5s s VAL 92 N -1.17 5.27 -0.30 3.82 1.01 -0.49 -0.75 120.40 127.79 1z5s s VAL 92 Ca 0.48 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.58 1z5s s VAL 92 Cb -0.36 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1z5s s VAL 92 CO 0.47 0.20 0.30 0.00 0.00 0.00 0.00 175.10 176.07 1z5s s LEU 94 N 1.92 0.11 0.16 0.00 0.20 -1.26 -4.84 118.68 114.97 1z5s s LEU 94 Ca 0.11 0.61 -0.12 0.00 0.69 0.00 0.00 54.13 55.42 1z5s s LEU 94 Cb -0.16 0.83 0.17 0.00 -0.43 0.00 0.00 46.19 46.60 1z5s s LEU 94 CO 0.11 -0.19 1.08 -1.54 -0.29 0.00 0.00 176.35 175.52 1z5s n SER 95 N 4.58 -0.45 -0.26 3.68 3.41 -1.26 0.65 113.62 123.98 1z5s n SER 95 Ca -0.19 1.22 0.16 0.00 -0.26 0.00 0.00 58.87 59.79 1z5s n SER 95 Cb 0.52 -0.28 0.45 0.00 -0.26 0.00 0.00 64.21 64.65 1z5s n SER 95 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1z5s h ILE 96 N 0.00 0.73 -0.01 -1.33 2.04 -1.97 -1.24 117.51 115.74 1z5s h ILE 96 Ca 0.24 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1z5s h ILE 96 Cb 0.42 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1z5s h ILE 96 CO -0.69 0.10 -0.03 0.18 0.00 0.00 0.00 178.15 177.71 1z5s n LEU 97 N -4.55 0.55 -4.49 1.44 4.77 0.21 -2.83 117.00 112.10 1z5s n LEU 97 Ca 0.19 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 1z5s n LEU 97 Cb 0.61 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1z5s n LEU 97 CO 0.29 0.09 -0.04 -0.70 -1.33 0.00 0.00 177.39 175.70 1z5s s GLU 98 N -2.12 3.18 0.21 3.23 2.56 -0.49 -4.69 118.70 120.58 1z5s s GLU 98 Ca 0.40 -0.82 -0.09 0.00 0.00 0.00 0.00 54.97 54.46 1z5s s GLU 98 Cb 0.21 -3.92 0.30 0.00 2.00 0.00 0.00 34.13 32.73 1z5s s GLU 98 CO 0.39 -0.67 1.24 -1.91 -0.56 0.00 0.00 175.26 173.75 1z5s n GLU 99 N 5.24 -0.11 -0.40 4.30 2.13 -1.26 0.00 120.64 130.54 1z5s n GLU 99 Ca -0.11 1.24 -0.00 0.00 0.66 0.00 0.00 57.16 58.95 1z5s n GLU 99 Cb 0.48 -1.84 0.14 0.00 0.27 0.00 0.00 31.44 30.49 1z5s n GLU 99 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1z5s n ASP 100 N -5.25 3.02 0.00 4.31 5.75 -1.26 -4.47 116.55 118.65 1z5s n ASP 100 Ca 0.11 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1z5s n ASP 100 Cb 0.37 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1z5s n ASP 100 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1z5s n LYS 101 N 0.16 0.00 0.00 0.11 5.02 0.10 -5.00 118.16 118.55 1z5s n LYS 101 Ca 0.14 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1z5s n LYS 101 Cb 0.72 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.77 1z5s n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1z5s n ASP 102 N 0.00 2.41 -4.72 4.39 10.43 -1.09 -4.96 116.55 123.02 1z5s n ASP 102 Ca 0.00 -1.70 -0.42 0.00 2.57 0.00 0.00 54.79 55.24 1z5s n ASP 102 Cb 0.00 0.24 -0.03 0.00 1.84 0.00 0.00 41.12 43.17 1z5s n ASP 102 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1z5s s TRP 103 N -2.10 3.51 -0.02 1.24 -0.11 -1.13 -4.68 118.94 115.65 1z5s s TRP 103 Ca 0.22 1.43 0.00 0.00 1.22 0.00 0.00 56.10 58.97 1z5s s TRP 103 Cb 0.18 -3.33 0.02 0.00 -1.50 0.00 0.00 33.47 28.83 1z5s s TRP 103 CO 0.41 -0.90 0.00 1.03 -4.62 0.00 0.00 176.95 172.87 1z5s s ARG 104 N 0.88 0.13 0.38 5.86 0.52 -1.26 -4.87 118.95 120.59 1z5s s ARG 104 Ca 0.56 0.06 0.21 0.00 -0.52 0.00 0.00 55.73 56.03 1z5s s ARG 104 Cb -0.27 -0.27 1.24 0.00 0.52 0.00 0.00 34.95 36.17 1z5s s ARG 104 CO 0.30 -0.08 1.64 -1.35 0.02 0.00 0.00 175.30 175.83 1z5s h PRO 105 N 6.81 0.19 0.00 3.54 0.11 -1.85 0.12 132.00 140.92 1z5s h PRO 105 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1z5s h PRO 105 Cb 1.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1z5s h PRO 105 CO 0.49 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 1z5s n ALA 106 N -2.36 1.25 -2.10 -0.75 0.00 -1.26 -4.62 120.51 110.66 1z5s n ALA 106 Ca 0.34 -0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.38 1z5s n ALA 106 Cb 1.16 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1z5s n ALA 106 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1z5s s ILE 107 N -2.61 4.43 0.42 0.00 1.01 0.41 -5.05 121.20 119.81 1z5s s ILE 107 Ca 0.01 1.84 0.07 0.00 0.00 0.00 0.00 60.65 62.57 1z5s s ILE 107 Cb 0.01 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1z5s s ILE 107 CO 0.02 0.44 0.32 0.42 0.00 0.00 0.00 174.94 176.14 1z5s s THR 108 N -0.65 2.49 0.30 2.92 -4.23 -1.26 -5.01 115.64 110.21 1z5s s THR 108 Ca 0.40 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1z5s s THR 108 Cb -0.23 -2.95 0.19 0.00 1.34 0.00 0.00 72.50 70.85 1z5s s THR 108 CO 0.27 0.00 1.88 0.40 -0.54 0.00 0.00 174.62 176.63 1z5s h ILE 109 N 1.13 1.21 -0.73 2.99 2.04 -1.97 -1.51 117.51 120.66 1z5s h ILE 109 Ca -0.41 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 64.86 1z5s h ILE 109 Cb 1.26 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 1z5s h ILE 109 CO 0.61 0.26 0.40 0.50 0.00 0.00 0.00 178.15 179.92 1z5s h LYS 110 N 0.83 0.68 0.72 2.37 3.64 -1.97 -1.86 116.57 120.97 1z5s h LYS 110 Ca 0.20 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1z5s h LYS 110 Cb 0.18 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1z5s h LYS 110 CO -0.02 0.45 -0.35 1.96 -2.27 0.00 0.00 179.45 179.23 1z5s h GLN 111 N 0.70 -0.93 -0.24 1.90 4.20 -1.71 -1.30 115.11 117.73 1z5s h GLN 111 Ca 0.35 0.06 0.02 0.00 0.06 0.00 0.00 58.65 59.15 1z5s h GLN 111 Cb 0.30 0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 1z5s h GLN 111 CO -0.23 -0.59 -0.24 0.82 -0.67 0.00 0.00 178.83 177.92 1z5s h ILE 112 N -1.11 0.00 -0.78 2.54 2.04 -1.04 1.75 117.51 120.91 1z5s h ILE 112 Ca -0.10 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.94 1z5s h ILE 112 Cb 0.77 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.73 1z5s h ILE 112 CO 0.16 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.44 1z5s h LEU 113 N -0.12 0.03 -0.48 1.44 3.38 -1.41 0.59 115.31 118.73 1z5s h LEU 113 Ca 0.04 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1z5s h LEU 113 Cb 0.23 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1z5s h LEU 113 CO -0.29 -0.06 0.21 -0.07 0.09 0.00 0.00 178.44 178.32 1z5s h LEU 114 N 0.27 0.65 0.61 1.67 3.38 0.27 -1.45 115.31 120.70 1z5s h LEU 114 Ca 0.45 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1z5s h LEU 114 Cb 0.81 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1z5s h LEU 114 CO -0.54 0.62 -0.35 1.23 0.09 0.00 0.00 178.44 179.48 1z5s h GLY 115 N 0.63 -1.04 -0.81 0.83 0.00 0.62 -1.99 103.07 101.32 1z5s h GLY 115 Ca 0.16 0.42 0.38 0.00 0.00 0.00 0.00 47.33 48.29 1z5s h GLY 115 CO -0.02 -0.36 0.62 -2.22 0.00 0.00 0.00 176.54 174.56 1z5s h ILE 116 N -0.89 0.16 0.12 2.60 2.04 0.01 0.81 117.51 122.36 1z5s h ILE 116 Ca -0.08 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1z5s h ILE 116 Cb 0.71 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1z5s h ILE 116 CO 0.10 0.03 -0.06 -0.61 0.00 0.00 0.00 178.15 177.61 1z5s h GLN 117 N 0.16 -0.15 -0.96 2.37 4.15 -0.84 -1.82 115.11 118.01 1z5s h GLN 117 Ca 0.79 0.01 0.09 0.00 0.77 0.00 0.00 58.65 60.32 1z5s h GLN 117 Cb 2.06 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 29.71 1z5s h GLN 117 CO -0.62 0.02 0.62 1.05 -1.93 0.00 0.00 178.83 177.97 1z5s h GLU 118 N -0.30 0.99 -0.50 1.69 4.11 0.12 -0.94 114.58 119.76 1z5s h GLU 118 Ca -0.02 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 59.38 1z5s h GLU 118 Cb 0.25 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1z5s h GLU 118 CO 0.03 0.65 0.33 1.25 0.07 0.00 0.00 179.01 181.34 1z5s h LEU 119 N 1.02 0.51 -0.94 3.06 5.85 -0.20 -2.66 115.31 121.95 1z5s h LEU 119 Ca 0.44 -0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.42 1z5s h LEU 119 Cb 0.35 -0.12 -0.14 0.00 0.37 0.00 0.00 40.66 41.12 1z5s h LEU 119 CO -0.20 0.36 0.41 -0.07 -0.34 0.00 0.00 178.44 178.60 1z5s h LEU 120 N 0.60 0.29 -1.84 2.25 3.38 -0.36 -1.36 115.31 118.27 1z5s h LEU 120 Ca 0.19 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1z5s h LEU 120 Cb 0.05 0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1z5s h LEU 120 CO -0.05 -0.11 0.00 -3.20 0.09 0.00 0.00 178.44 175.18 1z5s n ASN 121 N -5.11 2.80 -3.33 -0.43 4.05 -1.01 -4.56 115.26 107.66 1z5s n ASN 121 Ca 0.26 -1.90 -0.27 0.00 0.45 0.00 0.00 54.58 53.11 1z5s n ASN 121 Cb 0.80 -0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.73 1z5s n ASN 121 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1z5s n GLU 122 N 1.21 2.75 -2.12 1.20 1.02 -0.51 -5.08 120.64 119.11 1z5s n GLU 122 Ca 0.13 -4.72 -0.37 0.00 -0.02 0.00 0.00 57.16 52.18 1z5s n GLU 122 Cb 0.54 -2.26 0.01 0.00 -0.02 0.00 0.00 31.44 29.70 1z5s n GLU 122 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1z5s s PRO 123 N -2.71 3.53 -0.87 3.49 0.02 -1.25 -4.83 135.00 132.37 1z5s s PRO 123 Ca 0.42 1.89 0.01 0.00 0.02 0.00 0.00 61.00 63.34 1z5s s PRO 123 Cb 0.17 -2.32 0.31 0.00 0.02 0.00 0.00 34.50 32.69 1z5s s PRO 123 CO -0.04 -0.77 1.38 -1.71 -0.33 0.00 0.00 177.00 175.54 1z5s n ASN 124 N -0.73 5.95 0.26 2.53 5.15 -1.26 -4.84 115.26 122.31 1z5s n ASN 124 Ca 0.09 -3.60 0.09 0.00 -0.60 0.00 0.00 54.58 50.56 1z5s n ASN 124 Cb 0.47 -0.97 0.47 0.00 -0.53 0.00 0.00 39.78 39.22 1z5s n ASN 124 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1z5s h ILE 125 N 2.80 0.00 0.00 -1.44 -0.00 -1.93 0.22 117.51 117.16 1z5s h ILE 125 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.18 1z5s h ILE 125 Cb 0.48 0.38 0.00 0.00 -0.00 0.00 0.00 36.82 37.68 1z5s h ILE 125 CO 1.08 0.00 0.00 1.67 -0.00 0.00 0.00 178.15 180.90 1z5s n GLN 126 N -2.44 0.58 0.00 0.16 -0.06 -1.26 -3.88 117.38 110.48 1z5s n GLN 126 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1z5s n GLN 126 Cb 0.48 -1.01 0.00 0.00 -4.06 0.00 0.00 30.24 25.65 1z5s n GLN 126 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1z5s n ASP 127 N -0.48 0.00 -4.84 1.69 4.64 0.77 -5.18 116.55 113.15 1z5s n ASP 127 Ca 0.00 0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 53.11 1z5s n ASP 127 Cb 0.00 0.00 0.06 0.00 -1.04 0.00 0.00 41.12 40.15 1z5s n ASP 127 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1z5s s PRO 128 N 0.00 2.63 0.00 -0.67 0.04 -1.25 -4.84 135.00 130.91 1z5s s PRO 128 Ca 0.00 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1z5s s PRO 128 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1z5s s PRO 128 CO 0.00 -1.23 0.58 0.00 0.04 0.00 0.00 177.00 176.39 1z5s n ALA 129 N -3.17 2.19 -3.63 8.56 0.00 -0.58 -4.99 120.51 118.89 1z5s n ALA 129 Ca 0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 53.44 52.89 1z5s n ALA 129 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1z5s n ALA 129 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1z5s s GLN 130 N -0.23 0.48 0.14 0.00 -2.07 -1.25 -4.16 119.66 112.57 1z5s s GLN 130 Ca 0.00 1.27 -0.20 0.00 -1.82 0.00 0.00 55.36 54.61 1z5s s GLN 130 Cb 0.00 0.64 0.02 0.00 -1.09 0.00 0.00 33.01 32.58 1z5s s GLN 130 CO 0.00 -0.24 1.67 0.00 -1.32 0.00 0.00 175.29 175.40 1z5s h ALA 131 N 8.07 0.06 -0.22 2.60 0.00 -1.94 -2.85 119.26 124.98 1z5s h ALA 131 Ca -0.17 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1z5s h ALA 131 Cb 1.11 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1z5s h ALA 131 CO 0.12 -0.55 -0.13 -1.91 0.00 0.00 0.00 179.25 176.78 1z5s n GLU 132 N -5.30 -0.10 -0.05 0.00 4.07 -1.26 -1.66 120.64 116.34 1z5s n GLU 132 Ca -0.01 0.74 -0.15 0.00 -0.06 0.00 0.00 57.16 57.68 1z5s n GLU 132 Cb 0.21 -1.10 -0.07 0.00 -0.06 0.00 0.00 31.44 30.42 1z5s n GLU 132 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1z5s h ALA 133 N -0.29 0.30 -0.90 4.31 0.00 -1.90 -3.20 119.26 117.57 1z5s h ALA 133 Ca 0.04 -0.49 0.15 0.00 0.00 0.00 0.00 54.91 54.60 1z5s h ALA 133 Cb 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1z5s h ALA 133 CO -0.21 0.47 0.50 -0.92 0.00 0.00 0.00 179.25 179.09 1z5s h TYR 134 N 0.32 0.89 0.32 0.00 3.20 -1.22 0.13 116.97 120.61 1z5s h TYR 134 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1z5s h TYR 134 Cb 1.11 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1z5s h TYR 134 CO 0.09 0.24 -0.19 1.15 -1.64 0.00 0.00 178.16 177.82 1z5s h THR 135 N 0.72 0.00 -1.00 1.81 2.02 -1.36 -2.23 112.91 112.87 1z5s h THR 135 Ca 0.49 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.84 1z5s h THR 135 Cb 0.66 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.97 1z5s h THR 135 CO -0.35 0.00 0.61 0.40 0.37 0.00 0.00 175.52 176.56 1z5s h ILE 136 N -0.47 0.77 -0.08 3.11 1.08 -1.47 0.90 117.51 121.35 1z5s h ILE 136 Ca -0.04 -0.29 0.03 0.00 -0.39 0.00 0.00 64.86 64.17 1z5s h ILE 136 Cb 0.37 -0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 33.95 1z5s h ILE 136 CO 0.05 0.15 -0.12 0.22 -0.69 0.00 0.00 178.15 177.76 1z5s h TYR 137 N 0.83 -0.30 0.08 1.37 3.20 -0.65 -0.43 116.97 121.07 1z5s h TYR 137 Ca 0.55 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.43 1z5s h TYR 137 Cb 0.76 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1z5s h TYR 137 CO -0.01 -0.18 -0.04 0.00 -1.64 0.00 0.00 178.16 176.29 1z5s h GLN 139 N -0.82 -0.06 -2.18 0.00 4.15 0.81 -3.41 115.11 113.60 1z5s h GLN 139 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1z5s h GLN 139 Cb 0.60 0.01 -0.22 0.00 0.21 0.00 0.00 27.48 28.08 1z5s h GLN 139 CO 0.02 -0.04 -0.03 1.21 -1.93 0.00 0.00 178.83 178.06 1z5s s ASN 140 N -5.26 -0.77 -0.13 -0.69 2.47 -0.18 -5.06 114.94 105.32 1z5s s ASN 140 Ca -0.14 1.32 -0.22 0.00 0.42 0.00 0.00 52.86 54.24 1z5s s ASN 140 Cb 0.20 1.25 -0.26 0.00 -1.45 0.00 0.00 41.25 40.99 1z5s s ASN 140 CO 0.72 -0.23 0.61 -0.09 -3.72 0.00 0.00 177.10 174.39 1z5s h ARG 141 N 6.33 0.12 -1.01 0.43 9.65 -1.74 -3.12 114.38 125.03 1z5s h ARG 141 Ca -0.31 -0.21 0.27 0.00 -1.10 0.00 0.00 59.98 58.63 1z5s h ARG 141 Cb 1.20 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.79 1z5s h ARG 141 CO 0.16 1.10 0.69 0.28 2.80 0.00 0.00 179.97 185.00 1z5s h VAL 142 N -0.69 0.54 0.00 0.20 2.07 -1.93 0.10 116.25 116.55 1z5s h VAL 142 Ca -0.19 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1z5s h VAL 142 Cb 1.40 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1z5s h VAL 142 CO -0.00 0.04 -0.26 -0.08 0.02 0.00 0.00 177.57 177.29 1z5s h GLU 143 N 0.24 0.17 -0.99 1.57 4.57 -1.91 -1.98 114.58 116.25 1z5s h GLU 143 Ca 0.53 -0.19 0.21 0.00 -1.18 0.00 0.00 59.36 58.73 1z5s h GLU 143 Cb 1.63 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 30.16 1z5s h GLU 143 CO -0.16 0.94 0.59 -0.92 -1.18 0.00 0.00 179.01 178.28 1z5s h TYR 144 N -0.51 1.03 0.08 0.92 3.20 -0.94 0.95 116.97 121.69 1z5s h TYR 144 Ca -0.03 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1z5s h TYR 144 Cb 1.03 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1z5s h TYR 144 CO 0.18 0.17 -0.04 0.93 -1.64 0.00 0.00 178.16 177.77 1z5s h GLU 145 N 0.69 -0.10 -0.98 1.82 5.08 -1.37 -1.68 114.58 118.03 1z5s h GLU 145 Ca 0.59 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 59.16 1z5s h GLU 145 Cb 0.99 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.17 1z5s h GLU 145 CO -0.41 0.33 0.62 -0.22 -1.00 0.00 0.00 179.01 178.32 1z5s h LYS 146 N -0.58 0.59 -0.45 2.33 3.64 -0.01 0.49 116.57 122.59 1z5s h LYS 146 Ca -0.01 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1z5s h LYS 146 Cb 0.48 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1z5s h LYS 146 CO 0.02 0.39 -0.25 0.00 -2.27 0.00 0.00 179.45 177.34 1z5s h ARG 147 N 0.61 0.94 0.58 1.90 2.47 0.91 -3.04 114.38 118.76 1z5s h ARG 147 Ca 0.55 -0.42 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 1z5s h ARG 147 Cb 1.06 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.36 1z5s h ARG 147 CO -0.31 1.08 -0.28 0.28 0.56 0.00 0.00 179.97 181.30 1z5s h VAL 148 N 0.81 0.29 -0.99 2.04 2.07 0.78 -1.27 116.25 119.97 1z5s h VAL 148 Ca 0.10 -0.34 0.37 0.00 0.82 0.00 0.00 66.70 67.65 1z5s h VAL 148 Cb 0.82 0.38 -0.18 0.00 -1.52 0.00 0.00 31.29 30.80 1z5s h VAL 148 CO 0.07 0.04 0.43 0.03 0.02 0.00 0.00 177.57 178.16 1z5s h ARG 149 N -1.03 0.05 0.36 1.57 2.47 -0.64 0.13 114.38 117.28 1z5s h ARG 149 Ca -0.08 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1z5s h ARG 149 Cb 0.66 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1z5s h ARG 149 CO 0.13 0.03 -0.17 0.00 0.56 0.00 0.00 179.97 180.52 1z5s h ALA 150 N 1.97 -0.88 -1.28 0.04 0.00 -1.38 -2.20 119.26 115.53 1z5s h ALA 150 Ca 0.77 -0.11 0.38 0.00 0.00 0.00 0.00 54.91 55.95 1z5s h ALA 150 Cb 1.93 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.82 1z5s h ALA 150 CO -0.78 -0.84 0.88 0.37 0.00 0.00 0.00 179.25 178.88 1z5s h GLN 151 N -0.60 0.13 0.05 0.00 4.15 0.27 0.16 115.11 119.27 1z5s h GLN 151 Ca -0.05 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1z5s h GLN 151 Cb 0.37 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1z5s h GLN 151 CO 0.08 0.08 -0.03 0.00 -1.93 0.00 0.00 178.83 177.04 1z5s h ALA 152 N 1.46 -0.07 -0.29 3.38 0.00 -0.80 -2.99 119.26 119.95 1z5s h ALA 152 Ca 0.69 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.40 1z5s h ALA 152 Cb 2.33 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 20.12 1z5s h ALA 152 CO -0.19 -0.30 0.10 -0.22 0.00 0.00 0.00 179.25 178.64 1z5s h LYS 153 N -0.56 0.22 -0.29 0.00 3.64 -0.09 -0.75 116.57 118.74 1z5s h LYS 153 Ca -0.01 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1z5s h LYS 153 Cb 0.49 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1z5s h LYS 153 CO 0.01 0.14 0.51 -0.22 -2.27 0.00 0.00 179.45 177.62 1z5s h LYS 154 N 0.22 0.00 -0.28 1.90 3.64 -1.12 0.80 116.57 121.73 1z5s h LYS 154 Ca 0.13 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 1z5s h LYS 154 Cb 0.10 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.77 1z5s h LYS 154 CO -0.14 0.00 -0.58 1.19 -2.27 0.00 0.00 179.45 177.65 1z5s n PHE 155 N -3.29 1.02 -3.14 1.91 3.01 -0.33 -5.04 117.46 111.61 1z5s n PHE 155 Ca 0.05 -1.76 -0.39 0.00 1.01 0.00 0.00 57.45 56.35 1z5s n PHE 155 Cb 0.64 -0.30 -0.05 0.00 -0.01 0.00 0.00 39.48 39.75 1z5s n PHE 155 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1z5s s ALA 156 N -3.37 3.45 -2.00 4.37 0.00 0.27 0.18 121.76 124.67 1z5s s ALA 156 Ca 0.43 0.11 0.26 0.00 0.00 0.00 0.00 51.96 52.76 1z5s s ALA 156 Cb 0.39 -2.82 1.55 0.00 0.00 0.00 0.00 23.12 22.24 1z5s s ALA 156 CO -0.03 0.14 1.90 -2.30 0.00 0.00 0.00 175.76 175.48