#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqy s ILE 2 N 0.00 5.31 -0.07 6.31 1.01 -1.26 -1.34 121.20 131.15 2nqy s ILE 2 Ca 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 2nqy s ILE 2 Cb 0.00 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.90 2nqy s ILE 2 CO 0.00 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 174.65 2nqy s VAL 3 N 0.09 0.62 0.00 2.92 1.01 -0.21 -4.99 120.40 119.85 2nqy s VAL 3 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2nqy s VAL 3 Cb -0.13 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2nqy s VAL 3 CO 0.04 0.28 0.50 0.35 0.00 0.00 0.00 175.10 176.27 2nqy n THR 4 N 4.61 0.25 -4.03 3.92 -2.24 -1.26 -0.28 114.28 115.25 2nqy n THR 4 Ca -0.16 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.19 2nqy n THR 4 Cb 0.50 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 2nqy n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nqy s ASP 5 N -0.25 0.40 -0.02 3.42 2.15 -1.26 -4.65 116.67 116.46 2nqy s ASP 5 Ca 0.00 -0.92 -0.35 0.00 0.43 0.00 0.00 52.55 51.71 2nqy s ASP 5 Cb 0.00 0.23 -0.14 0.00 -0.30 0.00 0.00 42.92 42.72 2nqy s ASP 5 CO 0.00 -0.63 1.68 0.59 -0.17 0.00 0.00 175.17 176.64 2nqy n ASN 6 N 0.07 2.89 -3.60 -0.34 4.13 -1.26 -4.78 115.26 112.37 2nqy n ASN 6 Ca -0.14 1.05 -0.15 0.00 1.68 0.00 0.00 54.58 57.02 2nqy n ASN 6 Cb 0.61 -1.32 -0.07 0.00 -1.54 0.00 0.00 39.78 37.46 2nqy n ASN 6 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2nqy s SER 7 N 2.48 -0.69 -0.05 6.41 0.15 -0.69 -4.98 113.70 116.33 2nqy s SER 7 Ca 0.88 1.19 0.03 0.00 0.70 0.00 0.00 55.95 58.76 2nqy s SER 7 Cb -0.79 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2nqy s SER 7 CO 0.49 -0.34 -0.15 -0.89 1.20 0.00 0.00 173.24 173.55 2nqy s THR 8 N -0.07 1.29 0.02 6.45 2.01 -1.26 -1.35 115.64 122.72 2nqy s THR 8 Ca -0.03 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 2nqy s THR 8 Cb -0.04 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.37 2nqy s THR 8 CO 0.03 0.38 0.29 0.61 -0.69 0.00 0.00 174.62 175.23 2nqy n GLY 9 N 3.36 0.79 3.24 4.40 0.00 -1.03 -5.02 105.19 110.93 2nqy n GLY 9 Ca -0.19 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 2nqy n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nqy s ASN 10 N -1.65 3.73 -0.14 1.61 3.84 -1.26 -0.84 114.94 120.22 2nqy s ASN 10 Ca 0.07 -0.49 0.01 0.00 0.21 0.00 0.00 52.86 52.66 2nqy s ASN 10 Cb -0.00 -1.60 0.02 0.00 -0.55 0.00 0.00 41.25 39.11 2nqy s ASN 10 CO 0.00 0.03 -0.16 -2.28 -2.79 0.00 0.00 177.10 171.90 2nqy s HIS 11 N 1.17 2.25 -1.52 0.43 5.65 0.71 -4.79 115.29 119.19 2nqy s HIS 11 Ca 0.01 -1.19 -0.13 0.00 0.25 0.00 0.00 55.06 54.00 2nqy s HIS 11 Cb -0.14 -1.61 0.09 0.00 -1.18 0.00 0.00 32.58 29.74 2nqy s HIS 11 CO -0.05 -0.62 0.86 -0.25 -0.65 0.00 0.00 174.74 174.03 2nqy n ASP 12 N 4.47 -4.54 0.00 9.88 9.92 -1.26 -0.96 116.55 134.06 2nqy n ASP 12 Ca -0.18 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.36 2nqy n ASP 12 Cb 0.51 -3.65 0.00 0.00 -0.64 0.00 0.00 41.12 37.34 2nqy n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2nqy n GLY 13 N -1.56 3.20 3.78 0.44 0.00 -1.26 -4.36 105.19 105.43 2nqy n GLY 13 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2nqy n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nqy s TYR 14 N -2.20 3.46 -0.22 1.61 1.51 -0.14 -5.00 117.35 116.38 2nqy s TYR 14 Ca 0.00 0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 56.15 2nqy s TYR 14 Cb 0.00 -2.07 -0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2nqy s TYR 14 CO 0.00 0.44 1.23 -0.51 -1.11 0.00 0.00 175.55 175.60 2nqy s ASP 15 N -0.14 6.89 0.18 2.29 1.01 -0.34 -0.21 116.67 126.36 2nqy s ASP 15 Ca 0.10 1.48 0.05 0.00 0.71 0.00 0.00 52.55 54.89 2nqy s ASP 15 Cb -0.11 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2nqy s ASP 15 CO 0.00 -0.84 0.17 -0.72 0.21 0.00 0.00 175.17 174.00 2nqy s TYR 16 N 3.70 3.20 -0.13 4.23 -0.85 -0.02 -1.27 117.35 126.21 2nqy s TYR 16 Ca 0.53 -0.02 -0.10 0.00 -0.52 0.00 0.00 57.07 56.96 2nqy s TYR 16 Cb -0.19 -1.51 0.04 0.00 0.38 0.00 0.00 41.96 40.68 2nqy s TYR 16 CO 0.16 0.52 0.33 -2.00 -1.52 0.00 0.00 175.55 173.03 2nqy s GLU 17 N -3.27 0.36 -0.16 -3.49 2.12 -0.34 -2.47 118.70 111.45 2nqy s GLU 17 Ca 0.32 0.52 -0.02 0.00 0.36 0.00 0.00 54.97 56.14 2nqy s GLU 17 Cb -0.10 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 2nqy s GLU 17 CO 0.24 -0.08 -0.07 0.12 -0.54 0.00 0.00 175.26 174.94 2nqy s PHE 18 N 0.49 2.93 -0.07 5.30 2.19 -0.45 -1.90 117.98 126.48 2nqy s PHE 18 Ca -0.03 -0.53 -0.03 0.00 0.33 0.00 0.00 56.93 56.67 2nqy s PHE 18 Cb -0.04 -1.94 0.04 0.00 -1.31 0.00 0.00 43.02 39.77 2nqy s PHE 18 CO -0.03 -0.19 0.15 -0.46 1.83 0.00 0.00 175.22 176.52 2nqy s TRP 19 N 0.56 -0.16 0.04 10.12 -0.00 -0.78 -1.70 118.94 127.01 2nqy s TRP 19 Ca -0.05 0.52 -0.02 0.00 -0.00 0.00 0.00 56.10 56.55 2nqy s TRP 19 Cb -0.15 -0.15 -0.02 0.00 -0.00 0.00 0.00 33.47 33.14 2nqy s TRP 19 CO 0.03 -0.20 0.02 -1.59 -0.00 0.00 0.00 176.95 175.20 2nqy s LYS 20 N 1.58 0.53 0.42 5.86 -2.85 -1.26 0.03 119.74 124.05 2nqy s LYS 20 Ca -0.05 -0.90 -0.02 0.00 -1.00 0.00 0.00 55.97 54.00 2nqy s LYS 20 Cb -0.12 0.19 0.09 0.00 -2.06 0.00 0.00 37.83 35.93 2nqy s LYS 20 CO -0.06 -0.11 0.58 -0.40 0.10 0.00 0.00 175.35 175.46 2nqy n ASP 21 N 0.72 0.53 -4.77 0.03 5.68 -1.05 -4.90 116.55 112.80 2nqy n ASP 21 Ca -0.18 -1.50 -0.34 0.00 -0.50 0.00 0.00 54.79 52.26 2nqy n ASP 21 Cb 0.59 -0.40 0.02 0.00 -1.14 0.00 0.00 41.12 40.19 2nqy n ASP 21 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2nqy s SER 22 N -3.26 5.43 0.00 -1.12 1.04 -1.26 -4.83 113.70 109.69 2nqy s SER 22 Ca 0.36 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.90 2nqy s SER 22 Cb -0.02 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2nqy s SER 22 CO 0.24 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2nqy n GLY 23 N -0.11 2.69 7.00 7.32 0.00 -1.26 -4.39 105.19 116.44 2nqy n GLY 23 Ca 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2nqy n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqy n GLY 24 N 1.42 -0.72 3.20 -0.02 0.00 -0.96 -4.27 105.19 103.84 2nqy n GLY 24 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2nqy n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nqy s SER 25 N -4.00 0.22 0.01 1.61 1.04 -0.05 -4.88 113.70 107.64 2nqy s SER 25 Ca 0.00 -0.89 -0.08 0.00 0.48 0.00 0.00 55.95 55.47 2nqy s SER 25 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2nqy s SER 25 CO 0.00 -0.74 0.15 -0.83 0.98 0.00 0.00 173.24 172.80 2nqy s GLY 26 N -2.94 0.04 -0.09 7.32 0.00 -1.26 -0.70 107.32 109.70 2nqy s GLY 26 Ca 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.69 2nqy s GLY 26 CO -0.06 -0.30 -0.09 -1.59 0.00 0.00 0.00 173.10 171.07 2nqy s THR 27 N -1.56 1.00 -0.12 0.90 2.01 0.47 -4.38 115.64 113.95 2nqy s THR 27 Ca -0.13 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2nqy s THR 27 Cb -0.07 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 2nqy s THR 27 CO 0.01 0.35 -0.16 -0.32 -0.69 0.00 0.00 174.62 173.80 2nqy s MET 28 N 1.24 3.27 -0.18 4.92 0.00 0.62 -1.11 119.30 128.07 2nqy s MET 28 Ca -0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 55.69 54.89 2nqy s MET 28 Cb -0.14 -2.54 -0.00 0.00 0.00 0.00 0.00 34.83 32.15 2nqy s MET 28 CO -0.03 0.18 -0.11 0.42 0.00 0.00 0.00 175.02 175.48 2nqy s ILE 29 N 0.41 2.96 -0.30 10.11 1.01 -0.41 -1.04 121.20 133.93 2nqy s ILE 29 Ca -0.13 -0.66 -0.21 0.00 0.00 0.00 0.00 60.65 59.65 2nqy s ILE 29 Cb -0.16 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 2nqy s ILE 29 CO 0.06 0.49 0.68 -0.76 0.00 0.00 0.00 174.94 175.41 2nqy s LEU 30 N 0.99 4.12 0.00 2.97 1.43 -0.45 -1.26 118.68 126.48 2nqy s LEU 30 Ca -0.01 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2nqy s LEU 30 Cb -0.15 -2.91 0.03 0.00 0.03 0.00 0.00 46.19 43.19 2nqy s LEU 30 CO -0.02 -0.51 0.23 0.59 0.23 0.00 0.00 176.35 176.87 2nqy n ASN 31 N 5.97 2.04 -4.73 2.29 5.03 -0.44 -4.40 115.26 121.01 2nqy n ASN 31 Ca 0.01 -2.10 -0.42 0.00 0.87 0.00 0.00 54.58 52.93 2nqy n ASN 31 Cb 0.49 -0.01 -0.01 0.00 -1.02 0.00 0.00 39.78 39.22 2nqy n ASN 31 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2nqy n SER 32 N -1.88 3.22 0.00 6.41 3.41 -1.26 -4.22 113.62 119.29 2nqy n SER 32 Ca -0.02 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 2nqy n SER 32 Cb 0.36 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 2nqy n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nqy n GLY 33 N 0.92 4.05 0.96 5.00 0.00 -1.26 -1.84 105.19 113.02 2nqy n GLY 33 Ca 0.04 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2nqy n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqy n GLY 34 N 0.00 1.37 3.81 -0.02 0.00 -1.23 -4.53 105.19 104.59 2nqy n GLY 34 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 2nqy n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nqy s THR 35 N -1.40 4.41 0.06 2.61 -4.23 -0.77 -4.63 115.64 111.69 2nqy s THR 35 Ca 0.36 1.48 -0.26 0.00 -1.18 0.00 0.00 61.69 62.09 2nqy s THR 35 Cb 0.19 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.31 2nqy s THR 35 CO 0.26 -0.01 0.73 0.72 -0.54 0.00 0.00 174.62 175.78 2nqy s PHE 36 N -1.80 -0.48 0.27 3.99 -0.71 -0.96 -1.33 117.98 116.95 2nqy s PHE 36 Ca 0.52 0.41 0.10 0.00 -1.04 0.00 0.00 56.93 56.92 2nqy s PHE 36 Cb -0.14 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 2nqy s PHE 36 CO 0.19 -0.69 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.80 2nqy s SER 37 N -2.36 4.38 -0.06 1.98 1.04 -0.39 -0.98 113.70 117.30 2nqy s SER 37 Ca 0.01 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 55.69 2nqy s SER 37 Cb -0.01 -0.75 0.03 0.00 0.10 0.00 0.00 66.02 65.39 2nqy s SER 37 CO -0.08 0.01 0.15 0.00 0.98 0.00 0.00 173.24 174.30 2nqy s ALA 38 N -2.34 -0.33 0.01 5.32 0.00 0.60 -1.29 121.76 123.73 2nqy s ALA 38 Ca 0.31 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.87 2nqy s ALA 38 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2nqy s ALA 38 CO 0.19 -0.12 -0.10 -1.12 0.00 0.00 0.00 175.76 174.61 2nqy s SER 39 N 0.66 1.14 0.03 0.00 0.01 -0.26 -0.18 113.70 115.09 2nqy s SER 39 Ca -0.05 -0.25 -0.03 0.00 1.31 0.00 0.00 55.95 56.93 2nqy s SER 39 Cb -0.06 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2nqy s SER 39 CO -0.03 0.07 0.03 -1.66 0.41 0.00 0.00 173.24 172.05 2nqy s TRP 40 N -0.44 0.25 -0.10 2.43 -2.14 -0.67 -0.39 118.94 117.89 2nqy s TRP 40 Ca 0.02 -0.55 -0.04 0.00 2.66 0.00 0.00 56.10 58.18 2nqy s TRP 40 Cb -0.05 -0.19 0.05 0.00 -3.10 0.00 0.00 33.47 30.18 2nqy s TRP 40 CO 0.00 -0.28 0.21 0.45 -2.66 0.00 0.00 176.95 174.67 2nqy s SER 41 N -1.87 0.18 -1.52 -2.66 0.15 0.12 -1.92 113.70 106.19 2nqy s SER 41 Ca -0.09 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 56.88 2nqy s SER 41 Cb -0.04 0.41 0.09 0.00 -1.71 0.00 0.00 66.02 64.77 2nqy s SER 41 CO -0.03 -0.20 0.90 -1.20 1.20 0.00 0.00 173.24 173.90 2nqy n SER 42 N 4.80 -4.69 -4.88 5.45 7.64 -1.15 -0.87 113.62 119.93 2nqy n SER 42 Ca -0.15 -0.72 -0.30 0.00 1.01 0.00 0.00 58.87 58.71 2nqy n SER 42 Cb 0.51 -3.76 0.01 0.00 -1.01 0.00 0.00 64.21 59.96 2nqy n SER 42 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2nqy s VAL 43 N -3.24 4.51 0.00 0.44 -7.23 -1.17 -2.26 120.40 111.45 2nqy s VAL 43 Ca 0.63 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 61.40 2nqy s VAL 43 Cb -0.32 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 32.84 2nqy s VAL 43 CO 0.77 -0.96 0.00 -0.24 -0.31 0.00 0.00 175.10 174.36 2nqy n SER 44 N -2.66 0.00 -4.31 4.85 2.88 -1.26 -2.92 113.62 110.20 2nqy n SER 44 Ca 0.05 0.14 -0.31 0.00 -1.33 0.00 0.00 58.87 57.41 2nqy n SER 44 Cb 0.55 -0.24 -0.16 0.00 -0.75 0.00 0.00 64.21 63.61 2nqy n SER 44 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2nqy s ASN 45 N -2.17 3.10 -0.10 -3.46 -0.87 -1.26 0.15 114.94 110.32 2nqy s ASN 45 Ca 0.00 -0.47 -0.12 0.00 -1.57 0.00 0.00 52.86 50.70 2nqy s ASN 45 Cb 0.00 -0.50 0.03 0.00 -0.02 0.00 0.00 41.25 40.76 2nqy s ASN 45 CO 0.00 0.30 0.32 -0.51 -2.57 0.00 0.00 177.10 174.64 2nqy s ILE 46 N -0.49 0.01 -0.02 0.60 2.07 -0.86 -2.51 121.20 119.99 2nqy s ILE 46 Ca 0.06 -0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 2nqy s ILE 46 Cb -0.11 -0.47 -0.00 0.00 0.13 0.00 0.00 42.46 42.00 2nqy s ILE 46 CO 0.00 -0.04 -0.11 -0.76 -1.91 0.00 0.00 174.94 172.12 2nqy s LEU 47 N -0.07 1.90 -0.10 8.50 1.02 0.10 -1.19 118.68 128.84 2nqy s LEU 47 Ca -0.02 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 53.93 2nqy s LEU 47 Cb -0.03 -0.63 0.01 0.00 0.02 0.00 0.00 46.19 45.56 2nqy s LEU 47 CO 0.01 0.11 -0.17 -0.36 0.02 0.00 0.00 176.35 175.96 2nqy s PHE 48 N -0.01 2.06 0.08 0.29 0.08 0.46 -1.86 117.98 119.08 2nqy s PHE 48 Ca -0.00 -0.90 -0.17 0.00 0.12 0.00 0.00 56.93 55.97 2nqy s PHE 48 Cb -0.07 -1.44 0.04 0.00 -0.57 0.00 0.00 43.02 40.97 2nqy s PHE 48 CO 0.00 -0.43 0.41 -0.98 -0.10 0.00 0.00 175.22 174.13 2nqy s ARG 49 N 0.74 0.99 -0.11 0.44 1.04 -0.80 -0.38 118.95 120.88 2nqy s ARG 49 Ca -0.12 -0.52 -0.05 0.00 -1.04 0.00 0.00 55.73 54.01 2nqy s ARG 49 Cb -0.16 0.44 0.05 0.00 -2.04 0.00 0.00 34.95 33.25 2nqy s ARG 49 CO 0.02 -0.37 0.23 0.15 -0.04 0.00 0.00 175.30 175.30 2nqy s LYS 50 N -3.11 0.14 0.00 3.89 1.02 -1.06 -1.20 119.74 119.41 2nqy s LYS 50 Ca -0.01 0.62 0.00 0.00 0.02 0.00 0.00 55.97 56.60 2nqy s LYS 50 Cb 0.01 -0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 2nqy s LYS 50 CO -0.07 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 2nqy n GLY 51 N 4.92 1.80 2.76 -3.33 0.00 -0.39 -2.63 105.19 108.32 2nqy n GLY 51 Ca -0.13 0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 2nqy n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nqy s LYS 52 N 3.38 0.12 -0.06 1.61 2.47 0.73 -1.20 119.74 126.79 2nqy s LYS 52 Ca 0.00 0.20 -0.11 0.00 -1.56 0.00 0.00 55.97 54.50 2nqy s LYS 52 Cb 0.00 -0.46 -0.05 0.00 -1.46 0.00 0.00 37.83 35.86 2nqy s LYS 52 CO 0.00 -0.21 0.28 0.15 0.16 0.00 0.00 175.35 175.72 2nqy s LYS 53 N 1.44 3.70 0.29 4.03 1.02 -1.26 -1.18 119.74 127.77 2nqy s LYS 53 Ca -0.04 0.14 0.10 0.00 0.02 0.00 0.00 55.97 56.19 2nqy s LYS 53 Cb -0.13 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2nqy s LYS 53 CO -0.03 0.72 -0.05 -0.06 -0.92 0.00 0.00 175.35 175.01 2nqy s PHE 54 N -1.01 2.55 -0.55 3.18 0.08 0.62 -4.94 117.98 117.91 2nqy s PHE 54 Ca 0.19 -0.31 0.04 0.00 0.12 0.00 0.00 56.93 56.97 2nqy s PHE 54 Cb -0.14 -1.23 0.28 0.00 -0.57 0.00 0.00 43.02 41.36 2nqy s PHE 54 CO 0.09 0.60 1.08 0.27 -0.10 0.00 0.00 175.22 177.16 2nqy n ASN 55 N -0.84 2.91 -3.64 1.36 6.94 -1.26 -4.67 115.26 116.05 2nqy n ASN 55 Ca -0.05 -2.42 -0.26 0.00 -0.02 0.00 0.00 54.58 51.82 2nqy n ASN 55 Cb 0.60 -0.59 0.05 0.00 -2.36 0.00 0.00 39.78 37.48 2nqy n ASN 55 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2nqy n GLU 56 N 0.12 -6.31 0.00 -3.83 1.02 -0.97 -4.86 120.64 105.81 2nqy n GLU 56 Ca 0.14 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 2nqy n GLU 56 Cb 0.70 -5.67 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 2nqy n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2nqy n THR 57 N -4.76 0.00 -4.50 2.62 -2.24 -1.26 -4.85 114.28 99.29 2nqy n THR 57 Ca 0.01 -0.32 -0.27 0.00 -2.27 0.00 0.00 64.05 61.19 2nqy n THR 57 Cb 0.55 0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 69.48 2nqy n THR 57 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2nqy s GLN 58 N -1.28 1.38 0.80 -0.78 -0.21 -1.26 -4.97 119.66 113.33 2nqy s GLN 58 Ca 0.00 -1.17 -0.12 0.00 0.02 0.00 0.00 55.36 54.09 2nqy s GLN 58 Cb 0.00 -1.67 0.07 0.00 1.00 0.00 0.00 33.01 32.41 2nqy s GLN 58 CO 0.00 0.41 1.13 0.95 -2.12 0.00 0.00 175.29 175.66 2nqy s THR 59 N -0.99 2.67 0.25 -0.19 -4.23 -1.26 0.32 115.64 112.21 2nqy s THR 59 Ca 0.10 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.78 2nqy s THR 59 Cb -0.10 -3.11 0.21 0.00 1.34 0.00 0.00 72.50 70.84 2nqy s THR 59 CO 0.04 -0.28 1.87 1.12 -0.54 0.00 0.00 174.62 176.82 2nqy h HIS 60 N -1.03 1.13 -0.75 3.99 2.07 -1.94 -0.80 115.15 117.81 2nqy h HIS 60 Ca -0.47 -0.03 0.10 0.00 -2.85 0.00 0.00 60.37 57.12 2nqy h HIS 60 Cb 1.29 -0.36 -0.07 0.00 2.57 0.00 0.00 27.41 30.84 2nqy h HIS 60 CO 0.40 0.79 0.39 1.96 -3.07 0.00 0.00 177.93 178.40 2nqy h GLN 61 N 1.14 0.63 -0.20 5.12 7.50 -1.94 -0.54 115.11 126.82 2nqy h GLN 61 Ca 0.28 -0.04 -0.19 0.00 0.50 0.00 0.00 58.65 59.21 2nqy h GLN 61 Cb 0.06 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.45 2nqy h GLN 61 CO -0.04 0.42 -0.63 1.96 -1.50 0.00 0.00 178.83 179.03 2nqy h GLN 62 N 0.65 0.71 -0.24 1.46 4.20 -1.71 -3.09 115.11 117.08 2nqy h GLN 62 Ca 0.37 -0.50 0.04 0.00 0.06 0.00 0.00 58.65 58.63 2nqy h GLN 62 Cb 0.40 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 2nqy h GLN 62 CO -0.28 1.12 0.02 0.28 -0.67 0.00 0.00 178.83 179.30 2nqy h VAL 63 N 0.52 0.85 0.00 -0.54 2.07 -0.94 -3.48 116.25 114.73 2nqy h VAL 63 Ca -0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2nqy h VAL 63 Cb 1.22 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2nqy h VAL 63 CO 0.13 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.35 2nqy n GLY 64 N -1.20 0.63 3.68 2.17 0.00 -0.23 -4.83 105.19 105.40 2nqy n GLY 64 Ca -0.01 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.34 2nqy n GLY 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nqy s ASN 65 N -2.13 7.05 -0.10 1.61 2.47 -1.26 -4.69 114.94 117.88 2nqy s ASN 65 Ca 0.00 1.69 -0.02 0.00 0.42 0.00 0.00 52.86 54.95 2nqy s ASN 65 Cb 0.00 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 2nqy s ASN 65 CO 0.00 -0.63 -0.02 -0.04 -3.72 0.00 0.00 177.10 172.69 2nqy s MET 66 N 2.71 3.15 -0.15 0.43 -1.94 -1.26 -0.64 119.30 121.60 2nqy s MET 66 Ca 0.53 -0.45 -0.17 0.00 -1.71 0.00 0.00 55.69 53.89 2nqy s MET 66 Cb -0.22 -2.81 0.05 0.00 2.01 0.00 0.00 34.83 33.86 2nqy s MET 66 CO 0.17 0.57 0.47 0.45 -0.01 0.00 0.00 175.02 176.68 2nqy s SER 67 N -0.53 -0.47 -0.09 3.03 0.15 -0.77 -2.06 113.70 112.96 2nqy s SER 67 Ca 0.09 0.85 0.02 0.00 0.70 0.00 0.00 55.95 57.60 2nqy s SER 67 Cb -0.12 0.87 0.02 0.00 -1.71 0.00 0.00 66.02 65.08 2nqy s SER 67 CO 0.02 -0.23 -0.12 -0.63 1.20 0.00 0.00 173.24 173.48 2nqy s ILE 68 N -0.03 1.21 -0.18 6.45 1.01 -0.53 0.03 121.20 129.16 2nqy s ILE 68 Ca -0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 2nqy s ILE 68 Cb -0.03 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 2nqy s ILE 68 CO 0.02 0.38 0.21 -0.44 0.00 0.00 0.00 174.94 175.11 2nqy s SER 69 N 0.94 6.31 0.05 3.58 0.01 -0.40 -0.17 113.70 124.02 2nqy s SER 69 Ca -0.09 0.36 -0.04 0.00 1.31 0.00 0.00 55.95 57.49 2nqy s SER 69 Cb -0.15 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2nqy s SER 69 CO 0.00 0.13 0.05 -0.72 0.41 0.00 0.00 173.24 173.11 2nqy s TYR 70 N 0.46 0.32 -0.08 2.43 1.13 -0.30 -0.67 117.35 120.64 2nqy s TYR 70 Ca 0.12 -0.73 -0.05 0.00 -1.41 0.00 0.00 57.07 55.00 2nqy s TYR 70 Cb -0.12 -0.23 0.03 0.00 -1.10 0.00 0.00 41.96 40.54 2nqy s TYR 70 CO 0.01 -0.38 0.19 0.20 -2.51 0.00 0.00 175.55 173.07 2nqy s GLY 71 N -2.45 -0.11 0.01 5.49 0.00 0.16 -1.28 107.32 109.14 2nqy s GLY 71 Ca -0.00 0.69 -0.00 0.00 0.00 0.00 0.00 44.72 45.41 2nqy s GLY 71 CO -0.07 0.80 -0.02 0.00 0.00 0.00 0.00 173.10 173.81 2nqy s ALA 72 N 0.67 0.09 -0.41 3.20 0.00 0.57 -1.83 121.76 124.05 2nqy s ALA 72 Ca -0.05 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 2nqy s ALA 72 Cb -0.06 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2nqy s ALA 72 CO -0.04 -0.12 0.40 1.21 0.00 0.00 0.00 175.76 177.22 2nqy s ASN 73 N -1.11 6.18 -0.31 0.00 3.84 0.44 -4.75 114.94 119.23 2nqy s ASN 73 Ca -0.12 -0.64 -0.01 0.00 0.21 0.00 0.00 52.86 52.30 2nqy s ASN 73 Cb -0.08 -2.21 0.06 0.00 -0.55 0.00 0.00 41.25 38.48 2nqy s ASN 73 CO -0.01 -0.52 0.02 0.12 -2.79 0.00 0.00 177.10 173.92 2nqy s PHE 74 N 2.05 3.33 -0.56 0.43 5.36 -1.26 -0.65 117.98 126.68 2nqy s PHE 74 Ca 0.11 -2.05 0.07 0.00 -0.96 0.00 0.00 56.93 54.09 2nqy s PHE 74 Cb -0.17 -2.28 0.28 0.00 -0.34 0.00 0.00 43.02 40.51 2nqy s PHE 74 CO 0.13 -0.84 0.75 1.04 -1.46 0.00 0.00 175.22 174.84 2nqy n GLN 75 N 4.58 2.25 -3.05 10.12 1.13 -0.11 -5.02 117.38 127.28 2nqy n GLN 75 Ca -0.11 -4.36 -0.35 0.00 -1.94 0.00 0.00 57.00 50.24 2nqy n GLN 75 Cb 0.43 -2.02 -0.06 0.00 0.11 0.00 0.00 30.24 28.69 2nqy n GLN 75 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2nqy s PRO 76 N -2.48 4.23 -0.86 -1.09 0.04 -1.25 -1.55 135.00 132.03 2nqy s PRO 76 Ca 0.41 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 2nqy s PRO 76 Cb 0.20 -2.70 0.22 0.00 0.04 0.00 0.00 34.50 32.25 2nqy s PRO 76 CO -0.06 0.29 0.76 0.43 0.04 0.00 0.00 177.00 178.45 2nqy n SER 77 N 0.32 4.06 0.00 6.66 7.64 0.12 -4.95 113.62 127.48 2nqy n SER 77 Ca 0.00 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.71 2nqy n SER 77 Cb 0.52 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2nqy n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nqy n GLY 78 N 2.14 0.54 3.67 0.23 0.00 -1.26 -3.22 105.19 107.29 2nqy n GLY 78 Ca 0.22 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 2nqy n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nqy s ASN 79 N -4.00 7.01 0.13 1.61 3.84 -1.26 -2.83 114.94 119.45 2nqy s ASN 79 Ca 0.00 1.70 -0.24 0.00 0.21 0.00 0.00 52.86 54.53 2nqy s ASN 79 Cb 0.00 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.22 2nqy s ASN 79 CO 0.00 -0.68 0.60 0.00 -2.79 0.00 0.00 177.10 174.23 2nqy s ALA 80 N 2.95 -1.59 -0.02 1.71 0.00 -1.26 -1.31 121.76 122.25 2nqy s ALA 80 Ca 0.54 0.56 0.04 0.00 0.00 0.00 0.00 51.96 53.10 2nqy s ALA 80 Cb -0.22 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 2nqy s ALA 80 CO 0.17 -0.72 -0.13 0.71 0.00 0.00 0.00 175.76 175.79 2nqy s TYR 81 N -3.46 1.19 -0.27 0.00 2.02 -0.32 -1.56 117.35 114.95 2nqy s TYR 81 Ca -0.00 -0.25 -0.07 0.00 -0.37 0.00 0.00 57.07 56.37 2nqy s TYR 81 Cb -0.01 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 2nqy s TYR 81 CO -0.10 -0.05 0.08 -1.17 -1.57 0.00 0.00 175.55 172.74 2nqy s LEU 82 N -0.19 3.63 0.20 -1.29 2.96 -0.26 -1.50 118.68 122.23 2nqy s LEU 82 Ca 0.03 -0.40 -0.21 0.00 -0.22 0.00 0.00 54.13 53.33 2nqy s LEU 82 Cb -0.06 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.76 2nqy s LEU 82 CO -0.00 -0.10 0.62 0.00 -1.32 0.00 0.00 176.35 175.55 2nqy s VAL 84 N -3.83 5.14 0.07 0.00 1.01 0.25 0.46 120.40 123.50 2nqy s VAL 84 Ca 0.06 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.83 2nqy s VAL 84 Cb -0.03 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2nqy s VAL 84 CO -0.05 0.49 -0.05 -0.47 0.00 0.00 0.00 175.10 175.02 2nqy s TYR 85 N -0.39 0.68 -2.13 5.22 6.14 0.20 -0.94 117.35 126.13 2nqy s TYR 85 Ca 0.23 -0.91 0.00 0.00 0.64 0.00 0.00 57.07 57.03 2nqy s TYR 85 Cb -0.15 -0.43 0.00 0.00 0.42 0.00 0.00 41.96 41.79 2nqy s TYR 85 CO 0.11 -0.23 0.00 0.41 0.64 0.00 0.00 175.55 176.47 2nqy n GLY 86 N 0.28 -1.22 3.09 8.97 0.00 -1.09 -1.27 105.19 113.95 2nqy n GLY 86 Ca -0.15 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 2nqy n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2nqy s TRP 87 N -3.00 0.61 0.30 1.61 0.52 -1.20 -1.17 118.94 116.61 2nqy s TRP 87 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 56.10 55.31 2nqy s TRP 87 Cb 0.00 -0.40 -0.06 0.00 -1.15 0.00 0.00 33.47 31.86 2nqy s TRP 87 CO 0.00 -0.25 -0.05 0.95 0.02 0.00 0.00 176.95 177.63 2nqy s THR 88 N -3.16 1.68 0.14 2.01 -4.23 -0.42 -1.06 115.64 110.61 2nqy s THR 88 Ca 0.03 -2.12 0.08 0.00 -1.18 0.00 0.00 61.69 58.50 2nqy s THR 88 Cb 0.02 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2nqy s THR 88 CO -0.06 -0.25 -0.18 0.68 -0.54 0.00 0.00 174.62 174.27 2nqy s VAL 89 N -2.98 1.71 -1.04 2.29 -7.23 -0.08 -1.88 120.40 111.19 2nqy s VAL 89 Ca 0.31 -1.79 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 2nqy s VAL 89 Cb 0.04 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2nqy s VAL 89 CO 0.13 -0.27 0.80 -1.20 -0.31 0.00 0.00 175.10 174.25 2nqy n SER 90 N 0.53 -5.94 -4.84 4.85 7.64 -1.26 0.33 113.62 114.92 2nqy n SER 90 Ca -0.15 -0.82 -0.32 0.00 1.01 0.00 0.00 58.87 58.59 2nqy n SER 90 Cb 0.56 -3.94 -0.03 0.00 -1.01 0.00 0.00 64.21 59.80 2nqy n SER 90 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2nqy s PRO 91 N -5.15 3.86 -0.20 1.43 0.04 -1.26 -4.26 135.00 129.46 2nqy s PRO 91 Ca 0.38 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 2nqy s PRO 91 Cb -0.11 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2nqy s PRO 91 CO 0.82 -0.35 1.22 -1.17 0.04 0.00 0.00 177.00 177.56 2nqy s LEU 92 N -4.21 4.12 -0.02 -3.56 2.96 -1.26 -4.04 118.68 112.67 2nqy s LEU 92 Ca 0.59 1.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 2nqy s LEU 92 Cb -0.11 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.07 2nqy s LEU 92 CO 0.34 -0.79 0.02 -0.69 -1.32 0.00 0.00 176.35 173.91 2nqy s VAL 93 N 3.56 0.00 -0.18 1.68 1.01 -0.79 -3.56 120.40 122.12 2nqy s VAL 93 Ca 0.52 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 2nqy s VAL 93 Cb -0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 2nqy s VAL 93 CO 0.14 0.09 0.19 -0.70 0.00 0.00 0.00 175.10 174.81 2nqy s GLU 94 N 0.88 4.18 0.19 2.72 2.12 -0.63 -1.30 118.70 126.86 2nqy s GLU 94 Ca -0.08 -0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.22 2nqy s GLU 94 Cb -0.11 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2nqy s GLU 94 CO -0.02 0.30 -0.13 1.52 -0.54 0.00 0.00 175.26 176.39 2nqy s TYR 95 N 0.32 1.61 -0.07 5.30 -0.85 -0.31 -1.55 117.35 121.80 2nqy s TYR 95 Ca 0.11 -0.61 -0.05 0.00 -0.52 0.00 0.00 57.07 56.00 2nqy s TYR 95 Cb -0.12 -0.76 0.03 0.00 0.38 0.00 0.00 41.96 41.49 2nqy s TYR 95 CO 0.00 0.30 0.17 0.71 -1.52 0.00 0.00 175.55 175.22 2nqy s TYR 96 N -3.05 -0.20 -0.29 -3.49 1.51 0.39 -2.69 117.35 109.54 2nqy s TYR 96 Ca 0.21 0.50 0.01 0.00 -1.01 0.00 0.00 57.07 56.78 2nqy s TYR 96 Cb -0.00 0.03 0.08 0.00 -0.11 0.00 0.00 41.96 41.96 2nqy s TYR 96 CO 0.05 -0.13 0.04 0.42 -1.11 0.00 0.00 175.55 174.82 2nqy s ILE 97 N 0.49 1.38 -0.27 2.71 1.01 -0.12 -0.86 121.20 125.53 2nqy s ILE 97 Ca -0.03 -1.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.01 2nqy s ILE 97 Cb -0.05 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 2nqy s ILE 97 CO -0.02 -0.45 0.16 -0.69 0.00 0.00 0.00 174.94 173.94 2nqy s VAL 98 N 1.40 5.11 -0.13 2.92 1.01 0.70 -0.58 120.40 130.82 2nqy s VAL 98 Ca 0.05 0.10 0.13 0.00 0.00 0.00 0.00 61.98 62.26 2nqy s VAL 98 Cb -0.18 -3.42 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 2nqy s VAL 98 CO -0.14 0.27 0.32 0.47 0.00 0.00 0.00 175.10 176.02 2nqy n ASP 99 N 4.99 0.60 -4.05 3.32 9.92 -0.66 -1.25 116.55 129.41 2nqy n ASP 99 Ca -0.14 0.18 -0.09 0.00 -0.53 0.00 0.00 54.79 54.21 2nqy n ASP 99 Cb 0.52 0.37 -0.09 0.00 -0.64 0.00 0.00 41.12 41.28 2nqy n ASP 99 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2nqy s SER 100 N -5.89 0.27 0.37 -2.24 0.15 -1.00 -1.83 113.70 103.52 2nqy s SER 100 Ca -0.10 -1.01 -0.07 0.00 0.70 0.00 0.00 55.95 55.47 2nqy s SER 100 Cb 0.07 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2nqy s SER 100 CO 0.81 -0.73 0.61 -1.66 1.20 0.00 0.00 173.24 173.47 2nqy s TRP 101 N -3.97 0.72 0.00 3.44 -2.14 -1.26 -1.10 118.94 114.63 2nqy s TRP 101 Ca 0.16 -1.13 0.00 0.00 2.66 0.00 0.00 56.10 57.79 2nqy s TRP 101 Cb 0.06 0.29 0.00 0.00 -3.10 0.00 0.00 33.47 30.72 2nqy s TRP 101 CO -0.03 -1.34 0.00 0.41 -2.66 0.00 0.00 176.95 173.33 2nqy n GLY 102 N -0.57 0.43 0.22 3.67 0.00 -0.60 -4.91 105.19 103.43 2nqy n GLY 102 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2nqy n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nqy n ASN 103 N 0.00 0.88 -3.67 1.61 2.04 -1.13 -4.83 115.26 110.17 2nqy n ASN 103 Ca 0.00 -0.82 -0.17 0.00 -0.44 0.00 0.00 54.58 53.15 2nqy n ASN 103 Cb 0.00 0.07 -0.16 0.00 -2.53 0.00 0.00 39.78 37.16 2nqy n ASN 103 CO 0.00 0.00 0.00 0.86 -0.44 0.00 0.00 177.26 177.68 2nqy s TRP 104 N -2.48 -0.12 -0.24 -2.53 -0.00 -1.26 -5.03 118.94 107.28 2nqy s TRP 104 Ca 0.26 0.51 -0.29 0.00 -0.00 0.00 0.00 56.10 56.58 2nqy s TRP 104 Cb 0.19 -0.31 -0.00 0.00 -0.00 0.00 0.00 33.47 33.36 2nqy s TRP 104 CO 0.50 -0.24 1.22 0.50 -0.00 0.00 0.00 176.95 178.93 2nqy s ARG 105 N 2.20 4.10 0.76 5.86 3.52 -1.26 -4.87 118.95 129.26 2nqy s ARG 105 Ca 0.03 1.40 -0.12 0.00 -0.13 0.00 0.00 55.73 56.91 2nqy s ARG 105 Cb -0.12 -3.79 0.05 0.00 -1.56 0.00 0.00 34.95 29.53 2nqy s ARG 105 CO -0.05 -0.87 1.13 -1.25 -0.81 0.00 0.00 175.30 173.45 2nqy s PRO 106 N 3.72 2.37 0.00 5.12 0.04 -1.26 -4.22 135.00 140.77 2nqy s PRO 106 Ca 0.53 0.35 0.21 0.00 0.04 0.00 0.00 61.00 62.12 2nqy s PRO 106 Cb -0.18 -1.98 0.46 0.00 0.04 0.00 0.00 34.50 32.84 2nqy s PRO 106 CO 0.17 -1.36 1.39 -0.35 0.04 0.00 0.00 177.00 176.89 2nqy n PRO 107 N -3.20 2.51 -2.20 0.56 -0.04 -1.26 -4.91 135.00 126.45 2nqy n PRO 107 Ca 0.07 -2.31 -0.04 0.00 -0.04 0.00 0.00 63.50 61.17 2nqy n PRO 107 Cb 0.59 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.58 2nqy n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nqy n GLY 108 N 1.39 0.28 3.39 0.55 0.00 -1.26 -5.08 105.19 104.46 2nqy n GLY 108 Ca 0.19 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2nqy n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqy s ALA 109 N -3.10 0.70 -0.06 4.61 0.00 -1.26 -5.13 121.76 117.52 2nqy s ALA 109 Ca 0.06 -1.43 -0.27 0.00 0.00 0.00 0.00 51.96 50.32 2nqy s ALA 109 Cb -0.01 1.25 -0.03 0.00 0.00 0.00 0.00 23.12 24.33 2nqy s ALA 109 CO 0.20 -0.72 0.85 0.99 0.00 0.00 0.00 175.76 177.08 2nqy s THR 110 N -3.81 4.94 0.63 0.00 2.01 -1.26 -5.03 115.64 113.12 2nqy s THR 110 Ca 0.32 1.75 -0.18 0.00 0.31 0.00 0.00 61.69 63.89 2nqy s THR 110 Cb 0.03 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2nqy s THR 110 CO 0.14 0.17 1.26 -2.84 -0.69 0.00 0.00 174.62 172.67 2nqy s PRO 111 N 1.13 2.67 -0.01 4.92 0.02 -1.26 -4.71 135.00 137.77 2nqy s PRO 111 Ca 0.44 1.97 0.16 0.00 0.02 0.00 0.00 61.00 63.59 2nqy s PRO 111 Cb -0.19 -1.87 -0.21 0.00 0.02 0.00 0.00 34.50 32.25 2nqy s PRO 111 CO 0.21 -1.48 0.51 1.63 -0.33 0.00 0.00 177.00 177.55 2nqy n LYS 112 N -1.83 1.22 -3.30 5.54 5.02 0.19 -4.99 118.16 120.01 2nqy n LYS 112 Ca 0.15 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2nqy n LYS 112 Cb 0.49 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 2nqy n LYS 112 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nqy n GLY 113 N 1.47 -1.30 3.12 0.72 0.00 -1.23 -5.00 105.19 102.98 2nqy n GLY 113 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 2nqy n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nqy s THR 114 N -2.96 0.44 -0.03 2.61 -4.23 -1.26 -0.55 115.64 109.67 2nqy s THR 114 Ca 0.00 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2nqy s THR 114 Cb 0.00 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.34 2nqy s THR 114 CO 0.00 -0.90 -0.05 -0.51 -0.54 0.00 0.00 174.62 172.62 2nqy s ILE 115 N -3.60 0.48 -0.28 2.99 2.07 -0.49 -4.94 121.20 117.44 2nqy s ILE 115 Ca 0.08 -0.17 -0.08 0.00 -1.41 0.00 0.00 60.65 59.07 2nqy s ILE 115 Cb 0.05 -0.47 -0.01 0.00 0.13 0.00 0.00 42.46 42.16 2nqy s ILE 115 CO -0.07 0.18 0.10 -0.89 -1.91 0.00 0.00 174.94 172.35 2nqy s THR 116 N 0.46 4.34 -0.12 4.00 2.01 -1.26 -0.63 115.64 124.43 2nqy s THR 116 Ca -0.06 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 2nqy s THR 116 Cb -0.09 -3.13 0.09 0.00 0.01 0.00 0.00 72.50 69.38 2nqy s THR 116 CO -0.00 0.20 0.80 0.54 -0.69 0.00 0.00 174.62 175.47 2nqy s VAL 117 N 1.59 0.00 -1.43 3.82 0.11 -0.41 -4.98 120.40 119.10 2nqy s VAL 117 Ca 0.05 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2nqy s VAL 117 Cb -0.16 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2nqy s VAL 117 CO 0.04 0.00 0.79 0.47 -3.33 0.00 0.00 175.10 173.08 2nqy n ASP 118 N 1.11 -2.73 -0.36 3.54 8.00 -1.26 -1.89 116.55 122.97 2nqy n ASP 118 Ca -0.15 -0.83 -0.05 0.00 0.71 0.00 0.00 54.79 54.47 2nqy n ASP 118 Cb 0.57 -3.81 -0.02 0.00 -0.02 0.00 0.00 41.12 37.84 2nqy n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nqy n GLY 119 N -1.67 0.65 3.51 0.44 0.00 -1.26 -4.94 105.19 101.92 2nqy n GLY 119 Ca -0.14 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2nqy n GLY 119 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nqy s GLY 120 N -2.36 1.31 -0.04 -0.02 0.00 -0.79 -5.16 107.32 100.26 2nqy s GLY 120 Ca 0.00 -1.41 0.07 0.00 0.00 0.00 0.00 44.72 43.38 2nqy s GLY 120 CO 0.00 -0.93 -0.25 -1.59 0.00 0.00 0.00 173.10 170.33 2nqy s THR 121 N -3.17 2.00 -0.06 0.90 2.01 -1.26 -1.28 115.64 114.78 2nqy s THR 121 Ca 0.29 -1.06 0.06 0.00 0.31 0.00 0.00 61.69 61.29 2nqy s THR 121 Cb -0.00 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 2nqy s THR 121 CO 0.18 0.56 -0.25 -0.31 -0.69 0.00 0.00 174.62 174.11 2nqy s TYR 122 N -0.33 2.45 0.24 4.92 1.51 0.20 -0.50 117.35 125.82 2nqy s TYR 122 Ca 0.02 -0.74 -0.27 0.00 -1.01 0.00 0.00 57.07 55.07 2nqy s TYR 122 Cb -0.12 -1.61 -0.09 0.00 -0.11 0.00 0.00 41.96 40.04 2nqy s TYR 122 CO 0.02 -0.22 0.87 -0.51 -1.11 0.00 0.00 175.55 174.60 2nqy s ASP 123 N -0.14 7.45 -0.12 2.29 1.01 -0.63 -1.39 116.67 125.13 2nqy s ASP 123 Ca -0.04 1.79 -0.03 0.00 0.71 0.00 0.00 52.55 54.98 2nqy s ASP 123 Cb -0.14 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 2nqy s ASP 123 CO 0.04 0.11 -0.02 -0.63 0.21 0.00 0.00 175.17 174.88 2nqy s ILE 124 N -1.30 4.12 0.04 0.77 1.01 0.29 -0.85 121.20 125.29 2nqy s ILE 124 Ca 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2nqy s ILE 124 Cb -0.23 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2nqy s ILE 124 CO 0.27 0.54 -0.04 -0.31 0.00 0.00 0.00 174.94 175.41 2nqy s TYR 125 N -0.23 0.50 -0.07 3.97 1.51 -0.51 0.54 117.35 123.05 2nqy s TYR 125 Ca 0.05 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.36 2nqy s TYR 125 Cb -0.13 -0.34 0.02 0.00 -0.11 0.00 0.00 41.96 41.40 2nqy s TYR 125 CO 0.02 -0.24 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.12 2nqy s GLU 126 N -2.67 1.63 0.37 -0.62 2.12 -1.26 -1.10 118.70 117.17 2nqy s GLU 126 Ca -0.03 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 54.97 2nqy s GLU 126 Cb -0.02 -1.42 -0.06 0.00 0.26 0.00 0.00 34.13 32.90 2nqy s GLU 126 CO -0.04 -0.04 0.06 0.95 -0.54 0.00 0.00 175.26 175.64 2nqy s THR 127 N 0.88 1.24 -0.08 -1.70 -4.23 -0.33 -4.96 115.64 106.45 2nqy s THR 127 Ca -0.11 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 2nqy s THR 127 Cb -0.15 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 70.98 2nqy s THR 127 CO 0.01 0.00 -0.17 -0.62 -0.54 0.00 0.00 174.62 173.30 2nqy s ASP 128 N -3.58 2.36 -0.20 3.99 2.15 -1.26 -0.43 116.67 119.70 2nqy s ASP 128 Ca 0.32 -0.41 -0.04 0.00 0.43 0.00 0.00 52.55 52.84 2nqy s ASP 128 Cb 0.07 -1.08 -0.02 0.00 -0.30 0.00 0.00 42.92 41.59 2nqy s ASP 128 CO 0.15 0.09 -0.03 -0.13 -0.17 0.00 0.00 175.17 175.08 2nqy s ARG 129 N 0.52 3.50 -0.30 4.34 1.81 -0.25 -4.97 118.95 123.60 2nqy s ARG 129 Ca -0.17 -0.58 -0.08 0.00 -1.72 0.00 0.00 55.73 53.19 2nqy s ARG 129 Cb -0.17 -3.00 -0.00 0.00 -0.45 0.00 0.00 34.95 31.33 2nqy s ARG 129 CO 0.06 -0.04 0.11 0.99 -0.68 0.00 0.00 175.30 175.74 2nqy s THR 130 N 1.10 4.29 -1.23 0.02 2.01 -1.26 -1.39 115.64 119.18 2nqy s THR 130 Ca 0.02 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 2nqy s THR 130 Cb -0.15 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2nqy s THR 130 CO 0.00 0.09 0.75 0.59 -0.69 0.00 0.00 174.62 175.36 2nqy n ASN 131 N 4.93 -2.83 -4.68 3.53 3.02 -0.79 -4.93 115.26 113.50 2nqy n ASN 131 Ca -0.14 -0.85 -0.23 0.00 -0.03 0.00 0.00 54.58 53.32 2nqy n ASN 131 Cb 0.49 -4.05 -0.07 0.00 -0.61 0.00 0.00 39.78 35.54 2nqy n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2nqy s GLN 132 N -5.77 2.26 0.28 3.52 -1.52 0.13 -4.64 119.66 113.92 2nqy s GLN 132 Ca 0.17 -1.57 -0.29 0.00 -1.95 0.00 0.00 55.36 51.72 2nqy s GLN 132 Cb -0.05 -2.10 -0.14 0.00 -0.22 0.00 0.00 33.01 30.51 2nqy s GLN 132 CO 0.81 0.19 1.15 -2.30 -0.25 0.00 0.00 175.29 174.89 2nqy n PRO 133 N -1.02 1.61 -4.07 2.91 -0.02 -1.26 -0.57 135.00 132.57 2nqy n PRO 133 Ca -0.04 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 2nqy n PRO 133 Cb 0.61 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2nqy n PRO 133 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2nqy s SER 134 N -0.32 0.61 0.30 2.55 1.04 -0.68 -4.82 113.70 112.38 2nqy s SER 134 Ca 0.61 -1.35 0.21 0.00 0.48 0.00 0.00 55.95 55.90 2nqy s SER 134 Cb -0.68 0.63 1.11 0.00 0.10 0.00 0.00 66.02 67.18 2nqy s SER 134 CO 0.58 -1.24 1.64 2.30 0.98 0.00 0.00 173.24 177.50 2nqy n ILE 135 N -0.50 1.06 -1.59 -1.02 -5.35 -1.26 -2.23 119.36 108.46 2nqy n ILE 135 Ca 0.00 0.68 -0.00 0.00 -0.27 0.00 0.00 62.75 63.16 2nqy n ILE 135 Cb 0.62 -1.67 0.19 0.00 -1.74 0.00 0.00 39.64 37.04 2nqy n ILE 135 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2nqy n LYS 136 N -2.23 1.84 0.00 6.28 4.76 -1.26 -5.10 118.16 122.45 2nqy n LYS 136 Ca -0.01 -3.35 0.00 0.00 -2.87 0.00 0.00 58.31 52.08 2nqy n LYS 136 Cb 0.05 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 2nqy n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nqy n GLY 137 N -1.09 -1.97 3.68 0.72 0.00 -0.95 -4.77 105.19 100.82 2nqy n GLY 137 Ca 0.26 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2nqy n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nqy s VAL 138 N 0.00 2.70 0.16 1.61 1.01 -1.26 -1.68 120.40 122.93 2nqy s VAL 138 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2nqy s VAL 138 Cb 0.00 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.36 2nqy s VAL 138 CO 0.00 -0.00 0.48 0.00 0.00 0.00 0.00 175.10 175.58 2nqy s ALA 139 N 3.10 -1.05 -0.16 5.51 0.00 0.26 -4.85 121.76 124.57 2nqy s ALA 139 Ca 0.82 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 2nqy s ALA 139 Cb -0.44 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 2nqy s ALA 139 CO 0.37 -0.72 -0.01 0.99 0.00 0.00 0.00 175.76 176.38 2nqy s THR 140 N -3.82 4.12 -0.00 0.00 2.01 -1.26 -0.70 115.64 115.99 2nqy s THR 140 Ca 0.05 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 2nqy s THR 140 Cb 0.00 -2.82 0.07 0.00 0.01 0.00 0.00 72.50 69.77 2nqy s THR 140 CO -0.09 0.49 0.69 0.72 -0.69 0.00 0.00 174.62 175.73 2nqy s PHE 141 N 0.33 -0.60 0.49 4.92 -0.71 -0.49 -4.94 117.98 116.98 2nqy s PHE 141 Ca -0.02 0.87 -0.12 0.00 -1.04 0.00 0.00 56.93 56.62 2nqy s PHE 141 Cb -0.14 0.45 -0.06 0.00 -1.21 0.00 0.00 43.02 42.07 2nqy s PHE 141 CO 0.02 -0.65 0.89 -1.12 -1.34 0.00 0.00 175.22 173.02 2nqy s SER 142 N -1.62 6.46 -0.08 1.98 0.01 -1.23 -1.09 113.70 118.13 2nqy s SER 142 Ca -0.07 1.29 0.04 0.00 1.31 0.00 0.00 55.95 58.52 2nqy s SER 142 Cb -0.00 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 2nqy s SER 142 CO 0.03 -0.57 -0.20 -1.10 0.41 0.00 0.00 173.24 171.81 2nqy s GLN 143 N -4.29 2.82 -0.12 12.44 -0.21 0.43 -1.61 119.66 129.11 2nqy s GLN 143 Ca 0.54 -0.81 -0.03 0.00 0.02 0.00 0.00 55.36 55.08 2nqy s GLN 143 Cb -0.10 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 2nqy s GLN 143 CO 0.37 0.36 -0.02 0.71 -2.12 0.00 0.00 175.29 174.59 2nqy s TYR 144 N -0.07 3.08 -0.05 0.91 2.02 -0.60 -1.19 117.35 121.45 2nqy s TYR 144 Ca -0.05 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 2nqy s TYR 144 Cb -0.14 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 2nqy s TYR 144 CO 0.04 0.20 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.51 2nqy s TRP 145 N -0.20 1.36 -0.16 2.71 0.52 -0.26 -0.46 118.94 122.46 2nqy s TRP 145 Ca 0.04 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.73 2nqy s TRP 145 Cb -0.13 -0.97 -0.01 0.00 -1.15 0.00 0.00 33.47 31.21 2nqy s TRP 145 CO 0.02 -0.19 -0.09 -1.12 0.02 0.00 0.00 176.95 175.59 2nqy s SER 146 N 0.34 4.20 -0.17 2.95 0.01 -0.04 -1.43 113.70 119.56 2nqy s SER 146 Ca -0.08 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2nqy s SER 146 Cb -0.12 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.47 2nqy s SER 146 CO 0.02 0.12 -0.10 -0.89 0.41 0.00 0.00 173.24 172.80 2nqy s THR 147 N 0.65 1.45 0.61 1.44 2.01 -0.03 -0.22 115.64 121.56 2nqy s THR 147 Ca -0.05 -0.75 -0.19 0.00 0.31 0.00 0.00 61.69 61.01 2nqy s THR 147 Cb -0.15 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2nqy s THR 147 CO 0.02 0.27 1.27 -1.14 -0.69 0.00 0.00 174.62 174.35 2nqy n ARG 148 N 4.77 1.26 0.19 4.92 0.63 -0.38 -1.61 116.66 126.44 2nqy n ARG 148 Ca -0.15 0.48 0.09 0.00 -0.92 0.00 0.00 57.85 57.35 2nqy n ARG 148 Cb 0.48 -2.49 0.11 0.00 0.45 0.00 0.00 32.46 31.01 2nqy n ARG 148 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2nqy h ARG 149 N 0.80 0.00 -4.07 -0.14 3.08 -1.15 -3.44 114.38 109.46 2nqy h ARG 149 Ca -0.51 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.26 2nqy h ARG 149 Cb 1.33 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.10 2nqy h ARG 149 CO 0.54 0.16 -0.74 -1.54 -1.07 0.00 0.00 179.97 177.32 2nqy s SER 150 N -6.25 0.36 0.43 7.04 1.04 -1.26 -5.11 113.70 109.96 2nqy s SER 150 Ca 0.06 -0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.19 2nqy s SER 150 Cb 0.06 -0.04 -0.10 0.00 0.10 0.00 0.00 66.02 66.04 2nqy s SER 150 CO 0.70 0.04 1.12 0.29 0.98 0.00 0.00 173.24 176.37 2nqy n LYS 151 N 3.01 1.56 -3.71 4.02 5.02 -1.26 -4.93 118.16 121.87 2nqy n LYS 151 Ca -0.13 0.56 -0.13 0.00 -2.02 0.00 0.00 58.31 56.59 2nqy n LYS 151 Cb 0.59 -2.19 -0.09 0.00 -0.02 0.00 0.00 35.03 33.31 2nqy n LYS 151 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2nqy s ARG 152 N -2.15 0.57 -0.03 1.97 3.52 -0.76 -5.00 118.95 117.06 2nqy s ARG 152 Ca 0.63 0.58 0.05 0.00 -0.13 0.00 0.00 55.73 56.86 2nqy s ARG 152 Cb -0.53 0.28 0.07 0.00 -1.56 0.00 0.00 34.95 33.21 2nqy s ARG 152 CO 0.56 -0.08 0.97 0.25 -0.81 0.00 0.00 175.30 176.19 2nqy n THR 153 N 2.65 1.02 -3.47 4.11 -2.24 -1.26 -3.84 114.28 111.25 2nqy n THR 153 Ca -0.14 -1.11 -0.13 0.00 -2.27 0.00 0.00 64.05 60.40 2nqy n THR 153 Cb 0.57 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 2nqy n THR 153 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nqy s SER 154 N -1.33 -0.54 0.00 3.42 1.04 -1.26 -0.32 113.70 114.71 2nqy s SER 154 Ca 0.08 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2nqy s SER 154 Cb 0.07 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2nqy s SER 154 CO 0.01 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2nqy n GLY 155 N -0.11 0.77 3.66 7.32 0.00 -0.41 -4.99 105.19 111.43 2nqy n GLY 155 Ca -0.17 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 2nqy n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nqy s THR 156 N -2.45 4.29 -0.29 2.61 2.01 -1.26 -1.15 115.64 119.41 2nqy s THR 156 Ca 0.00 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 2nqy s THR 156 Cb 0.00 -2.82 0.04 0.00 0.01 0.00 0.00 72.50 69.73 2nqy s THR 156 CO 0.00 0.58 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.88 2nqy s ILE 157 N -0.64 3.12 -1.28 1.82 1.01 0.76 -4.82 121.20 121.17 2nqy s ILE 157 Ca 0.10 -1.17 -0.16 0.00 0.00 0.00 0.00 60.65 59.42 2nqy s ILE 157 Cb -0.12 -2.70 0.10 0.00 0.01 0.00 0.00 42.46 39.75 2nqy s ILE 157 CO 0.02 0.01 1.69 -1.20 0.00 0.00 0.00 174.94 175.46 2nqy n SER 158 N 4.68 4.96 -0.13 3.58 7.64 -1.26 -1.45 113.62 131.64 2nqy n SER 158 Ca -0.14 -2.94 -0.04 0.00 1.01 0.00 0.00 58.87 56.76 2nqy n SER 158 Cb 0.45 -1.68 0.02 0.00 -1.01 0.00 0.00 64.21 61.99 2nqy n SER 158 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2nqy h VAL 159 N 5.14 0.60 -0.24 0.44 2.07 -1.79 -2.23 116.25 120.24 2nqy h VAL 159 Ca 0.42 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.89 2nqy h VAL 159 Cb 0.85 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2nqy h VAL 159 CO 1.43 0.00 -0.01 0.28 0.02 0.00 0.00 177.57 179.30 2nqy h SER 160 N 0.02 0.32 -0.74 0.57 0.02 -1.84 -1.95 113.55 109.96 2nqy h SER 160 Ca 0.21 -0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2nqy h SER 160 Cb 0.31 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 2nqy h SER 160 CO -0.42 0.39 0.41 0.78 -1.14 0.00 0.00 176.83 176.85 2nqy h ASN 161 N 0.34 0.58 -0.53 3.07 4.21 -1.70 -0.33 115.58 121.22 2nqy h ASN 161 Ca 0.08 0.04 -0.05 0.00 1.21 0.00 0.00 56.30 57.58 2nqy h ASN 161 Cb 0.25 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2nqy h ASN 161 CO 0.01 0.35 0.15 0.45 -1.29 0.00 0.00 177.43 177.10 2nqy h HIS 162 N 0.71 0.88 -0.14 1.19 3.86 -1.34 -1.32 115.15 119.00 2nqy h HIS 162 Ca 0.34 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 2nqy h HIS 162 Cb 0.28 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 2nqy h HIS 162 CO -0.08 0.76 -0.00 0.74 0.86 0.00 0.00 177.93 180.21 2nqy h PHE 163 N 0.74 -0.01 -0.36 2.45 0.04 -0.91 0.53 116.94 119.41 2nqy h PHE 163 Ca 0.17 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2nqy h PHE 163 Cb 0.31 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 2nqy h PHE 163 CO 0.02 -0.02 0.24 0.00 -0.60 0.00 0.00 178.31 177.95 2nqy h ARG 164 N 0.04 0.47 -0.28 1.51 3.08 -1.05 -1.98 114.38 116.18 2nqy h ARG 164 Ca 0.06 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 2nqy h ARG 164 Cb 0.08 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2nqy h ARG 164 CO -0.11 0.31 0.07 0.00 -1.07 0.00 0.00 179.97 179.17 2nqy h ALA 165 N 1.13 0.30 -0.24 0.04 0.00 -0.94 -1.29 119.26 118.27 2nqy h ALA 165 Ca 0.13 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2nqy h ALA 165 Cb -0.05 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2nqy h ALA 165 CO -0.03 -0.34 -0.18 -1.49 0.00 0.00 0.00 179.25 177.21 2nqy h TRP 166 N 0.18 -0.46 -0.71 0.00 6.55 -0.80 -2.65 115.95 118.07 2nqy h TRP 166 Ca 0.13 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.97 2nqy h TRP 166 Cb 0.12 0.24 -0.03 0.00 -0.86 0.00 0.00 29.16 28.63 2nqy h TRP 166 CO -0.15 -0.25 0.30 0.93 -1.05 0.00 0.00 178.44 178.22 2nqy h GLU 167 N -0.18 1.03 -0.69 0.49 5.08 -1.12 -0.01 114.58 119.18 2nqy h GLU 167 Ca 0.13 -0.16 0.17 0.00 -1.00 0.00 0.00 59.36 58.50 2nqy h GLU 167 Cb 0.38 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2nqy h GLU 167 CO -0.34 0.82 0.48 0.77 -1.00 0.00 0.00 179.01 179.74 2nqy h SER 168 N 1.01 0.19 -0.46 1.42 0.02 -1.03 -0.72 113.55 113.99 2nqy h SER 168 Ca 0.24 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2nqy h SER 168 Cb 0.16 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2nqy h SER 168 CO -0.03 0.10 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 2nqy n LEU 169 N -4.42 2.53 -0.08 5.07 4.77 -0.48 -4.90 117.00 119.49 2nqy n LEU 169 Ca 0.13 -1.25 -0.01 0.00 -0.03 0.00 0.00 56.01 54.85 2nqy n LEU 169 Cb 0.62 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2nqy n LEU 169 CO 0.35 0.63 -0.01 0.61 -1.33 0.00 0.00 177.39 177.64 2nqy n GLY 170 N 1.26 0.48 3.40 -0.72 0.00 -0.28 -4.98 105.19 104.34 2nqy n GLY 170 Ca 0.16 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 2nqy n GLY 170 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nqy s MET 171 N -1.70 3.82 0.29 1.61 -1.94 -0.14 -4.98 119.30 116.26 2nqy s MET 171 Ca 0.00 -2.42 -0.22 0.00 -1.71 0.00 0.00 55.69 51.35 2nqy s MET 171 Cb 0.00 -4.73 -0.09 0.00 2.01 0.00 0.00 34.83 32.02 2nqy s MET 171 CO 0.00 -1.52 0.83 -0.80 -0.01 0.00 0.00 175.02 173.52 2nqy s ASN 172 N 2.58 7.12 0.18 3.03 -0.87 -1.26 -3.00 114.94 122.72 2nqy s ASN 172 Ca 0.30 1.59 0.06 0.00 -1.57 0.00 0.00 52.86 53.24 2nqy s ASN 172 Cb -0.07 -2.49 -0.04 0.00 -0.02 0.00 0.00 41.25 38.64 2nqy s ASN 172 CO -0.07 -0.07 0.06 -0.04 -2.57 0.00 0.00 177.10 174.41 2nqy s MET 173 N -2.24 2.62 0.00 -0.60 -1.94 -1.26 -4.83 119.30 111.05 2nqy s MET 173 Ca 0.49 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 2nqy s MET 173 Cb -0.16 -2.47 0.00 0.00 2.01 0.00 0.00 34.83 34.21 2nqy s MET 173 CO 0.21 0.46 0.00 0.41 -0.01 0.00 0.00 175.02 176.09 2nqy n GLY 174 N -0.28 2.35 3.72 -0.03 0.00 -1.26 -4.72 105.19 104.98 2nqy n GLY 174 Ca -0.09 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 2nqy n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nqy s ASP 175 N -0.72 7.10 0.14 1.61 1.01 0.15 -4.46 116.67 121.50 2nqy s ASP 175 Ca 0.00 2.10 -0.32 0.00 0.71 0.00 0.00 52.55 55.04 2nqy s ASP 175 Cb 0.00 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.22 2nqy s ASP 175 CO 0.00 -0.41 1.77 0.23 0.21 0.00 0.00 175.17 176.97 2nqy n MET 176 N 3.30 2.67 -0.09 8.23 2.81 0.15 -0.90 117.12 133.28 2nqy n MET 176 Ca 0.07 0.97 -0.11 0.00 -1.81 0.00 0.00 57.70 56.81 2nqy n MET 176 Cb 0.46 -2.83 -0.11 0.00 -0.71 0.00 0.00 33.22 30.03 2nqy n MET 176 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2nqy n TYR 177 N 4.91 0.00 -3.53 2.03 4.19 -0.22 -2.28 117.16 122.25 2nqy n TYR 177 Ca 0.18 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.27 2nqy n TYR 177 Cb 0.35 -0.79 -0.04 0.00 0.49 0.00 0.00 39.34 39.35 2nqy n TYR 177 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 2nqy s GLU 178 N -2.40 0.81 -0.05 2.98 2.12 -1.15 -0.27 118.70 120.73 2nqy s GLU 178 Ca -0.18 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.13 2nqy s GLU 178 Cb 0.06 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.86 2nqy s GLU 178 CO 0.56 -0.29 0.11 0.54 -0.54 0.00 0.00 175.26 175.64 2nqy s VAL 179 N -1.85 -0.04 -0.28 3.70 0.11 -0.33 -3.22 120.40 118.49 2nqy s VAL 179 Ca -0.02 0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 2nqy s VAL 179 Cb -0.01 -0.19 0.10 0.00 -1.53 0.00 0.00 36.38 34.75 2nqy s VAL 179 CO -0.00 0.06 0.80 0.00 -3.33 0.00 0.00 175.10 172.62 2nqy s ALA 180 N 0.88 -1.96 0.14 1.54 0.00 -0.40 -0.19 121.76 121.77 2nqy s ALA 180 Ca -0.07 2.25 -0.31 0.00 0.00 0.00 0.00 51.96 53.83 2nqy s ALA 180 Cb -0.09 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.48 2nqy s ALA 180 CO -0.04 -0.35 1.54 -1.17 0.00 0.00 0.00 175.76 175.74 2nqy s LEU 181 N 1.20 4.37 -0.00 0.00 1.98 -1.08 -0.62 118.68 124.53 2nqy s LEU 181 Ca -0.07 2.54 0.00 0.00 -2.89 0.00 0.00 54.13 53.72 2nqy s LEU 181 Cb -0.05 -3.59 -0.00 0.00 0.66 0.00 0.00 46.19 43.21 2nqy s LEU 181 CO -0.14 -0.80 -0.01 -0.89 -1.89 0.00 0.00 176.35 172.63 2nqy s THR 182 N 1.33 0.07 -0.19 3.68 2.01 0.17 -2.57 115.64 120.14 2nqy s THR 182 Ca 0.69 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.63 2nqy s THR 182 Cb -0.42 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 2nqy s THR 182 CO 0.31 0.02 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.52 2nqy s VAL 183 N -0.01 3.44 -0.01 3.82 1.01 0.49 -1.57 120.40 127.58 2nqy s VAL 183 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2nqy s VAL 183 Cb -0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2nqy s VAL 183 CO -0.00 0.45 -0.14 -0.70 0.00 0.00 0.00 175.10 174.71 2nqy s GLU 184 N 1.07 2.36 -0.02 2.72 2.12 -0.56 -0.40 118.70 125.99 2nqy s GLU 184 Ca 0.01 -0.80 0.07 0.00 0.36 0.00 0.00 54.97 54.60 2nqy s GLU 184 Cb -0.15 -2.34 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 2nqy s GLU 184 CO -0.00 0.59 -0.22 0.20 -0.54 0.00 0.00 175.26 175.29 2nqy s GLY 185 N -1.12 1.06 -0.18 -1.50 0.00 -0.33 -1.18 107.32 104.07 2nqy s GLY 185 Ca 0.14 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.92 2nqy s GLY 185 CO 0.04 -0.76 -0.03 -0.47 0.00 0.00 0.00 173.10 171.88 2nqy s TYR 186 N -0.48 1.60 -1.26 1.90 5.04 -0.43 -2.03 117.35 121.69 2nqy s TYR 186 Ca 0.08 -1.10 -0.17 0.00 -2.44 0.00 0.00 57.07 53.44 2nqy s TYR 186 Cb -0.09 -1.26 0.01 0.00 0.35 0.00 0.00 41.96 40.97 2nqy s TYR 186 CO -0.01 -0.63 0.61 1.04 -1.34 0.00 0.00 175.55 175.23 2nqy n GLN 187 N 4.90 -1.58 -2.73 4.97 6.02 0.12 -4.11 117.38 124.97 2nqy n GLN 187 Ca -0.11 0.33 -0.03 0.00 -0.01 0.00 0.00 57.00 57.18 2nqy n GLN 187 Cb 0.47 -3.85 0.01 0.00 1.02 0.00 0.00 30.24 27.89 2nqy n GLN 187 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2nqy n SER 188 N -2.66 -1.18 -4.27 1.08 3.41 -1.20 -4.71 113.62 104.08 2nqy n SER 188 Ca -0.17 -1.73 -0.15 0.00 -0.26 0.00 0.00 58.87 56.56 2nqy n SER 188 Cb 0.62 1.95 -0.10 0.00 -0.26 0.00 0.00 64.21 66.41 2nqy n SER 188 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2nqy s SER 189 N -2.32 1.00 0.00 4.04 0.01 -1.20 -2.92 113.70 112.32 2nqy s SER 189 Ca 0.11 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.06 2nqy s SER 189 Cb -0.02 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2nqy s SER 189 CO 0.05 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.61 2nqy n GLY 190 N -0.36 -1.21 3.33 3.44 0.00 -0.81 0.13 105.19 109.72 2nqy n GLY 190 Ca -0.02 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 2nqy n GLY 190 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nqy s SER 191 N -2.71 0.06 -0.19 1.61 1.04 -0.59 -1.67 113.70 111.25 2nqy s SER 191 Ca 0.00 -0.94 -0.21 0.00 0.48 0.00 0.00 55.95 55.28 2nqy s SER 191 Cb 0.00 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.61 2nqy s SER 191 CO 0.00 -0.89 0.58 0.00 0.98 0.00 0.00 173.24 173.91 2nqy s ALA 192 N -3.99 -1.46 -0.27 5.32 0.00 0.75 -0.93 121.76 121.18 2nqy s ALA 192 Ca 0.20 1.56 0.02 0.00 0.00 0.00 0.00 51.96 53.73 2nqy s ALA 192 Cb 0.04 -0.81 0.07 0.00 0.00 0.00 0.00 23.12 22.41 2nqy s ALA 192 CO 0.02 -0.29 -0.04 1.21 0.00 0.00 0.00 175.76 176.65 2nqy s ASN 193 N 0.07 4.23 -0.80 0.00 2.47 0.18 -0.29 114.94 120.80 2nqy s ASN 193 Ca -0.02 -1.46 -0.22 0.00 0.42 0.00 0.00 52.86 51.58 2nqy s ASN 193 Cb -0.04 -1.37 0.08 0.00 -1.45 0.00 0.00 41.25 38.47 2nqy s ASN 193 CO 0.02 -0.26 1.14 -0.69 -3.72 0.00 0.00 177.10 173.59 2nqy s VAL 194 N 1.22 4.26 -0.75 -5.21 1.01 -0.15 -0.42 120.40 120.36 2nqy s VAL 194 Ca -0.03 -0.62 0.25 0.00 0.00 0.00 0.00 61.98 61.58 2nqy s VAL 194 Cb -0.19 -4.81 0.07 0.00 0.00 0.00 0.00 36.38 31.45 2nqy s VAL 194 CO -0.07 -1.62 1.41 0.00 0.00 0.00 0.00 175.10 174.82 2nqy n TYR 195 N 7.88 0.43 -3.77 5.22 0.18 -0.76 -2.28 117.16 124.07 2nqy n TYR 195 Ca 0.11 0.13 -0.13 0.00 1.88 0.00 0.00 57.90 59.88 2nqy n TYR 195 Cb 0.48 -0.58 -0.14 0.00 -0.38 0.00 0.00 39.34 38.72 2nqy n TYR 195 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2nqy s SER 196 N -3.91 -0.10 -0.31 9.48 0.15 -0.87 -4.89 113.70 113.24 2nqy s SER 196 Ca 0.08 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.98 2nqy s SER 196 Cb 0.15 0.19 0.19 0.00 -1.71 0.00 0.00 66.02 64.83 2nqy s SER 196 CO 0.69 -0.12 0.82 0.21 1.20 0.00 0.00 173.24 176.04 2nqy s ASN 197 N 0.90 -1.02 -0.19 5.45 2.47 -1.23 -0.66 114.94 120.65 2nqy s ASN 197 Ca -0.07 -0.04 0.01 0.00 0.42 0.00 0.00 52.86 53.19 2nqy s ASN 197 Cb -0.09 1.55 0.03 0.00 -1.45 0.00 0.00 41.25 41.29 2nqy s ASN 197 CO -0.04 -0.17 -0.18 -0.89 -3.72 0.00 0.00 177.10 172.09 2nqy s THR 198 N 2.64 2.07 -0.28 -5.21 2.01 0.15 -3.50 115.64 113.52 2nqy s THR 198 Ca 0.18 -1.06 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 2nqy s THR 198 Cb -0.05 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2nqy s THR 198 CO -0.21 0.44 0.48 -0.22 -0.69 0.00 0.00 174.62 174.41 2nqy s LEU 199 N 1.26 4.10 -0.15 4.42 2.96 -1.26 -1.28 118.68 128.73 2nqy s LEU 199 Ca 0.03 0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 2nqy s LEU 199 Cb -0.14 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2nqy s LEU 199 CO -0.12 -0.30 0.04 -0.13 -1.32 0.00 0.00 176.35 174.53 2nqy s ARG 200 N 2.26 3.61 -0.23 1.98 0.52 0.10 -1.27 118.95 125.93 2nqy s ARG 200 Ca 0.19 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 2nqy s ARG 200 Cb -0.16 -3.05 0.04 0.00 0.52 0.00 0.00 34.95 32.31 2nqy s ARG 200 CO 0.10 0.43 -0.14 0.42 0.02 0.00 0.00 175.30 176.13 2nqy s ILE 201 N -0.11 2.11 -1.56 1.52 1.01 -0.00 -1.84 121.20 122.32 2nqy s ILE 201 Ca 0.06 -1.36 -0.04 0.00 0.00 0.00 0.00 60.65 59.31 2nqy s ILE 201 Cb -0.12 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2nqy s ILE 201 CO 0.01 0.19 0.51 0.59 0.00 0.00 0.00 174.94 176.24 2nqy n ASN 202 N 4.51 -6.03 0.00 3.58 3.02 0.19 -1.97 115.26 118.56 2nqy n ASN 202 Ca -0.17 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2nqy n ASN 202 Cb 0.45 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 2nqy n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nqy n GLY 203 N -1.44 2.01 3.62 7.41 0.00 -1.26 -5.02 105.19 110.51 2nqy n GLY 203 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2nqy n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nqy s ASN 204 N -3.49 6.16 0.52 1.61 0.02 -0.83 -4.97 114.94 113.95 2nqy s ASN 204 Ca 0.00 0.17 -0.21 0.00 -1.02 0.00 0.00 52.86 51.80 2nqy s ASN 204 Cb 0.00 -2.16 -0.06 0.00 0.02 0.00 0.00 41.25 39.05 2nqy s ASN 204 CO 0.00 -0.06 1.15 -2.84 0.02 0.00 0.00 177.10 175.36 2nqy s PRO 205 N 1.61 3.47 0.00 -0.60 0.02 -1.26 -0.82 135.00 137.42 2nqy s PRO 205 Ca 0.11 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.81 2nqy s PRO 205 Cb -0.15 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.23 2nqy s PRO 205 CO 0.09 -0.76 0.39 1.28 -0.33 0.00 0.00 177.00 177.67