#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 5.20 -0.07 6.31 1.01 -1.26 -1.32 121.20 131.07 2nqy s ILE 2 Ca 0.00 0.69 -0.00 0.00 0.00 0.00 0.00 60.65 61.33 2nqy s ILE 2 Cb 0.00 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2nqy s ILE 2 CO 0.00 0.48 -0.03 -0.69 0.00 0.00 0.00 174.94 174.71 2nqy s VAL 3 N -0.31 0.53 0.00 2.92 1.01 -0.01 -5.00 120.40 119.54 2nqy s VAL 3 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2nqy s VAL 3 Cb -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2nqy s VAL 3 CO 0.09 0.26 0.50 0.35 0.00 0.00 0.00 175.10 176.30 2nqy n THR 4 N 4.70 0.24 -4.03 3.92 -2.24 -1.26 -0.54 114.28 115.07 2nqy n THR 4 Ca -0.14 -0.35 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 2nqy n THR 4 Cb 0.50 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.24 0.39 -0.22 3.42 2.15 -1.26 -4.65 116.67 116.26 2nqy s ASP 5 Ca 0.00 -0.91 -0.39 0.00 0.43 0.00 0.00 52.55 51.67 2nqy s ASP 5 Cb 0.00 0.24 -0.15 0.00 -0.30 0.00 0.00 42.92 42.70 2nqy s ASP 5 CO 0.00 -0.64 1.71 0.59 -0.17 0.00 0.00 175.17 176.66 2nqy n ASN 6 N 0.06 2.39 -3.62 -0.34 4.13 -1.26 -4.77 115.26 111.85 2nqy n ASN 6 Ca -0.14 1.07 -0.15 0.00 1.68 0.00 0.00 54.58 57.05 2nqy n ASN 6 Cb 0.61 -1.17 -0.07 0.00 -1.54 0.00 0.00 39.78 37.62 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 3.20 -0.72 -0.06 6.41 0.15 -0.65 -4.98 113.70 117.04 2nqy s SER 7 Ca 0.96 1.31 0.03 0.00 0.70 0.00 0.00 55.95 58.95 2nqy s SER 7 Cb -1.02 1.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 2nqy s SER 7 CO 0.62 -0.30 -0.14 -0.89 1.20 0.00 0.00 173.24 173.73 2nqy s THR 8 N 0.12 1.26 0.01 6.45 2.01 -1.26 -1.07 115.64 123.16 2nqy s THR 8 Ca -0.02 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 2nqy s THR 8 Cb -0.04 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.35 2nqy s THR 8 CO 0.02 0.38 0.06 0.61 -0.69 0.00 0.00 174.62 175.00 2nqy n GLY 9 N 3.61 1.18 3.25 4.40 0.00 -1.04 -5.03 105.19 111.56 2nqy n GLY 9 Ca -0.21 -0.92 -0.32 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 -1.14 3.35 -0.11 1.61 3.84 -1.26 -0.66 114.94 120.57 2nqy s ASN 10 Ca 0.01 -0.51 -0.01 0.00 0.21 0.00 0.00 52.86 52.57 2nqy s ASN 10 Cb -0.00 -1.48 0.03 0.00 -0.55 0.00 0.00 41.25 39.25 2nqy s ASN 10 CO 0.00 0.14 -0.05 -2.28 -2.79 0.00 0.00 177.10 172.12 2nqy s HIS 11 N 0.48 1.27 -1.45 0.43 5.65 0.79 -4.82 115.29 117.64 2nqy s HIS 11 Ca -0.14 -0.62 -0.10 0.00 0.25 0.00 0.00 55.06 54.46 2nqy s HIS 11 Cb -0.17 -1.12 0.04 0.00 -1.18 0.00 0.00 32.58 30.16 2nqy s HIS 11 CO 0.05 -0.48 0.97 -3.47 -0.65 0.00 0.00 174.74 171.17 2nqy n ASP 12 N 5.00 -5.64 0.00 9.88 -0.08 -1.26 -1.05 116.55 123.40 2nqy n ASP 12 Ca -0.11 -0.57 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 2nqy n ASP 12 Cb 0.50 -4.48 0.00 0.00 2.34 0.00 0.00 41.12 39.47 2nqy n ASP 12 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2nqy n GLY 13 N -1.76 2.98 3.79 0.27 0.00 -1.26 -4.32 105.19 104.88 2nqy n GLY 13 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.07 3.48 -0.25 1.61 1.51 -0.22 -5.01 117.35 116.40 2nqy s TYR 14 Ca 0.00 0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 56.17 2nqy s TYR 14 Cb 0.00 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 2nqy s TYR 14 CO 0.00 0.48 1.31 -0.51 -1.11 0.00 0.00 175.55 175.72 2nqy s ASP 15 N -0.24 6.74 0.12 2.29 1.01 -0.35 -0.15 116.67 126.10 2nqy s ASP 15 Ca 0.11 1.39 0.02 0.00 0.71 0.00 0.00 52.55 54.79 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 0.01 -0.99 0.22 -0.72 0.21 0.00 0.00 175.17 173.90 2nqy s TYR 16 N 4.14 3.41 -0.07 4.23 -0.85 0.17 -1.22 117.35 127.15 2nqy s TYR 16 Ca 0.57 0.13 -0.06 0.00 -0.52 0.00 0.00 57.07 57.18 2nqy s TYR 16 Cb -0.19 -1.66 0.02 0.00 0.38 0.00 0.00 41.96 40.51 2nqy s TYR 16 CO 0.21 0.54 0.19 -2.00 -1.52 0.00 0.00 175.55 172.97 2nqy s GLU 17 N -2.91 0.22 -0.18 -3.49 2.12 -0.34 -2.51 118.70 111.61 2nqy s GLU 17 Ca 0.33 0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.90 2nqy s GLU 17 Cb -0.12 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.34 2nqy s GLU 17 CO 0.27 -0.03 -0.03 0.12 -0.54 0.00 0.00 175.26 175.04 2nqy s PHE 18 N 0.16 3.01 -0.05 5.30 2.19 -0.23 -2.01 117.98 126.35 2nqy s PHE 18 Ca -0.01 -0.43 -0.02 0.00 0.33 0.00 0.00 56.93 56.80 2nqy s PHE 18 Cb -0.02 -2.01 0.04 0.00 -1.31 0.00 0.00 43.02 39.72 2nqy s PHE 18 CO -0.00 -0.16 0.11 -0.46 1.83 0.00 0.00 175.22 176.53 2nqy s TRP 19 N 0.69 -0.10 0.06 10.12 -0.00 -0.70 -1.64 118.94 127.36 2nqy s TRP 19 Ca -0.02 0.40 -0.03 0.00 -0.00 0.00 0.00 56.10 56.44 2nqy s TRP 19 Cb -0.14 -0.19 -0.03 0.00 -0.00 0.00 0.00 33.47 33.11 2nqy s TRP 19 CO 0.02 -0.17 0.04 -1.59 -0.00 0.00 0.00 176.95 175.25 2nqy s LYS 20 N 1.42 0.67 0.42 5.86 -2.85 -1.26 -0.04 119.74 123.96 2nqy s LYS 20 Ca -0.06 -1.12 0.04 0.00 -1.00 0.00 0.00 55.97 53.83 2nqy s LYS 20 Cb -0.12 0.25 0.08 0.00 -2.06 0.00 0.00 37.83 35.97 2nqy s LYS 20 CO -0.05 -0.16 0.58 -0.40 0.10 0.00 0.00 175.35 175.43 2nqy n ASP 21 N 0.10 1.25 -4.78 0.03 5.68 -0.97 -4.90 116.55 112.95 2nqy n ASP 21 Ca -0.15 -1.95 -0.33 0.00 -0.50 0.00 0.00 54.79 51.87 2nqy n ASP 21 Cb 0.61 -0.33 0.03 0.00 -1.14 0.00 0.00 41.12 40.29 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 -3.52 5.44 0.00 -1.12 1.04 -1.26 -4.79 113.70 109.50 2nqy s SER 22 Ca 0.42 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.79 2nqy s SER 22 Cb -0.03 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2nqy s SER 22 CO 0.27 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2nqy n GLY 23 N -0.65 2.53 7.00 7.32 0.00 -1.26 -4.37 105.19 115.76 2nqy n GLY 23 Ca 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 1.78 0.92 3.33 -0.02 0.00 -0.94 -4.22 105.19 106.05 2nqy n GLY 24 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.08 0.02 1.61 1.04 0.02 -4.90 113.70 107.41 2nqy s SER 25 Ca 0.00 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 55.79 2nqy s SER 25 Cb 0.00 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.57 2nqy s SER 25 CO 0.00 -0.87 0.13 -0.83 0.98 0.00 0.00 173.24 172.65 2nqy s GLY 26 N -2.87 0.08 -0.07 7.32 0.00 -1.26 -1.01 107.32 109.50 2nqy s GLY 26 Ca 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.54 2nqy s GLY 26 CO -0.07 -0.41 -0.06 -1.59 0.00 0.00 0.00 173.10 170.97 2nqy s THR 27 N -1.85 0.78 -0.10 0.90 2.01 0.32 -4.39 115.64 113.30 2nqy s THR 27 Ca -0.11 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2nqy s THR 27 Cb -0.05 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 2nqy s THR 27 CO -0.01 0.30 -0.18 -0.32 -0.69 0.00 0.00 174.62 173.72 2nqy s MET 28 N 1.26 3.04 -0.17 4.92 0.00 0.30 -0.66 119.30 127.99 2nqy s MET 28 Ca -0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 55.69 54.85 2nqy s MET 28 Cb -0.14 -2.43 -0.00 0.00 0.00 0.00 0.00 34.83 32.26 2nqy s MET 28 CO -0.02 0.29 -0.12 0.42 0.00 0.00 0.00 175.02 175.59 2nqy s ILE 29 N 0.12 2.93 -0.33 10.11 1.01 -0.10 -0.83 121.20 134.11 2nqy s ILE 29 Ca -0.09 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 2nqy s ILE 29 Cb -0.15 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2nqy s ILE 29 CO 0.06 0.49 0.59 -0.76 0.00 0.00 0.00 174.94 175.31 2nqy s LEU 30 N 0.97 4.23 0.00 2.97 1.43 -0.44 -1.26 118.68 126.58 2nqy s LEU 30 Ca -0.02 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2nqy s LEU 30 Cb -0.15 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.35 2nqy s LEU 30 CO -0.01 -0.50 0.00 0.59 0.23 0.00 0.00 176.35 176.66 2nqy n ASN 31 N 5.86 0.78 -4.77 2.29 5.03 -0.45 -4.42 115.26 119.58 2nqy n ASN 31 Ca -0.02 -0.80 -0.40 0.00 0.87 0.00 0.00 54.58 54.23 2nqy n ASN 31 Cb 0.49 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.25 2nqy n ASN 31 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2nqy s SER 32 N -0.85 6.31 1.94 6.41 1.04 -1.26 -4.28 113.70 123.01 2nqy s SER 32 Ca 0.00 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.16 2nqy s SER 32 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2nqy s SER 32 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2nqy n GLY 33 N 0.65 4.24 0.80 7.32 0.00 -1.26 -1.28 105.19 115.66 2nqy n GLY 33 Ca 0.03 0.13 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 0.90 3.84 -0.02 0.00 -1.22 -4.51 105.19 104.17 2nqy n GLY 34 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.63 4.56 0.08 2.61 -4.23 -0.40 -4.66 115.64 111.97 2nqy s THR 35 Ca 0.34 1.17 -0.26 0.00 -1.18 0.00 0.00 61.69 61.76 2nqy s THR 35 Cb 0.19 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.48 2nqy s THR 35 CO 0.27 -0.20 0.78 0.72 -0.54 0.00 0.00 174.62 175.65 2nqy s PHE 36 N -2.02 -0.39 0.25 3.99 -0.71 -1.03 -1.34 117.98 116.73 2nqy s PHE 36 Ca 0.56 0.20 0.11 0.00 -1.04 0.00 0.00 56.93 56.77 2nqy s PHE 36 Cb -0.10 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.22 2nqy s PHE 36 CO 0.16 -0.71 -0.20 -1.54 -1.34 0.00 0.00 175.22 171.60 2nqy s SER 37 N -2.63 3.37 -0.05 1.98 1.04 -0.39 -0.96 113.70 116.06 2nqy s SER 37 Ca 0.04 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.43 2nqy s SER 37 Cb -0.01 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.86 2nqy s SER 37 CO -0.09 0.02 0.14 0.00 0.98 0.00 0.00 173.24 174.30 2nqy s ALA 38 N -2.37 -0.36 0.01 5.32 0.00 0.06 -0.92 121.76 123.50 2nqy s ALA 38 Ca 0.26 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2nqy s ALA 38 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2nqy s ALA 38 CO 0.12 -0.09 -0.02 -1.12 0.00 0.00 0.00 175.76 174.65 2nqy s SER 39 N -0.17 0.24 0.01 0.00 0.01 0.17 -0.80 113.70 113.16 2nqy s SER 39 Ca -0.02 -0.16 -0.06 0.00 1.31 0.00 0.00 55.95 57.01 2nqy s SER 39 Cb -0.02 0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 2nqy s SER 39 CO 0.00 -0.06 0.10 -1.66 0.41 0.00 0.00 173.24 172.03 2nqy s TRP 40 N -0.43 0.09 -0.06 2.43 -2.14 -0.68 -0.52 118.94 117.62 2nqy s TRP 40 Ca -0.04 -0.21 -0.02 0.00 2.66 0.00 0.00 56.10 58.49 2nqy s TRP 40 Cb -0.03 -0.08 0.04 0.00 -3.10 0.00 0.00 33.47 30.30 2nqy s TRP 40 CO -0.00 -0.26 0.12 0.45 -2.66 0.00 0.00 176.95 174.60 2nqy s SER 41 N -1.37 0.17 -1.60 -2.66 0.15 -0.18 -1.61 113.70 106.60 2nqy s SER 41 Ca -0.15 0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 2nqy s SER 41 Cb -0.08 0.13 0.11 0.00 -1.71 0.00 0.00 66.02 64.47 2nqy s SER 41 CO 0.01 -0.17 0.88 -1.20 1.20 0.00 0.00 173.24 173.96 2nqy n SER 42 N 4.49 -3.97 -4.89 5.45 7.64 -1.13 -0.80 113.62 120.41 2nqy n SER 42 Ca -0.21 -0.88 -0.29 0.00 1.01 0.00 0.00 58.87 58.50 2nqy n SER 42 Cb 0.51 -3.40 0.01 0.00 -1.01 0.00 0.00 64.21 60.32 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 -3.33 4.57 0.00 0.44 -7.23 -1.15 -2.21 120.40 111.49 2nqy s VAL 43 Ca 0.66 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 61.31 2nqy s VAL 43 Cb -0.34 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 32.81 2nqy s VAL 43 CO 0.87 -0.91 0.00 -0.24 -0.31 0.00 0.00 175.10 174.51 2nqy n SER 44 N -2.56 0.00 -4.22 4.85 2.88 -1.26 -3.02 113.62 110.29 2nqy n SER 44 Ca 0.04 0.22 -0.29 0.00 -1.33 0.00 0.00 58.87 57.51 2nqy n SER 44 Cb 0.55 -0.37 -0.16 0.00 -0.75 0.00 0.00 64.21 63.48 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 -2.77 2.64 -0.08 -3.46 -0.87 -1.26 -0.06 114.94 109.08 2nqy s ASN 45 Ca 0.00 -0.43 -0.09 0.00 -1.57 0.00 0.00 52.86 50.78 2nqy s ASN 45 Cb 0.00 -0.59 0.02 0.00 -0.02 0.00 0.00 41.25 40.67 2nqy s ASN 45 CO 0.00 0.23 0.24 -0.51 -2.57 0.00 0.00 177.10 174.48 2nqy s ILE 46 N -0.22 0.01 -0.03 0.60 2.07 -0.89 -2.30 121.20 120.45 2nqy s ILE 46 Ca 0.00 -0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 2nqy s ILE 46 Cb -0.11 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.11 2nqy s ILE 46 CO 0.02 -0.05 -0.07 -0.76 -1.91 0.00 0.00 174.94 172.16 2nqy s LEU 47 N -0.11 1.74 -0.08 8.50 1.02 0.94 -1.02 118.68 129.67 2nqy s LEU 47 Ca -0.02 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.01 2nqy s LEU 47 Cb -0.02 -0.48 0.00 0.00 0.02 0.00 0.00 46.19 45.71 2nqy s LEU 47 CO 0.01 0.04 -0.21 -0.36 0.02 0.00 0.00 176.35 175.85 2nqy s PHE 48 N 0.28 2.22 0.04 0.29 0.08 0.95 -1.73 117.98 120.11 2nqy s PHE 48 Ca -0.04 -0.83 -0.23 0.00 0.12 0.00 0.00 56.93 55.95 2nqy s PHE 48 Cb -0.09 -1.50 0.05 0.00 -0.57 0.00 0.00 43.02 40.92 2nqy s PHE 48 CO 0.00 -0.33 0.53 -0.98 -0.10 0.00 0.00 175.22 174.35 2nqy s ARG 49 N 0.29 1.04 -0.02 0.44 1.70 -0.85 -0.43 118.95 121.12 2nqy s ARG 49 Ca -0.14 -0.18 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 2nqy s ARG 49 Cb -0.16 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.71 2nqy s ARG 49 CO 0.06 -0.37 0.00 0.15 -1.08 0.00 0.00 175.30 174.07 2nqy s LYS 50 N -2.32 0.18 0.00 3.89 1.02 -1.06 -1.20 119.74 120.26 2nqy s LYS 50 Ca -0.06 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.00 2nqy s LYS 50 Cb -0.01 -0.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 2nqy s LYS 50 CO -0.01 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 2nqy n GLY 51 N 3.88 0.95 2.81 -3.33 0.00 -0.36 -2.30 105.19 106.84 2nqy n GLY 51 Ca -0.24 0.42 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 3.03 0.43 -0.07 1.61 2.47 0.18 -1.21 119.74 126.18 2nqy s LYS 52 Ca 0.00 0.07 -0.10 0.00 -1.56 0.00 0.00 55.97 54.38 2nqy s LYS 52 Cb 0.00 -0.64 -0.05 0.00 -1.46 0.00 0.00 37.83 35.68 2nqy s LYS 52 CO 0.00 -0.17 0.25 0.15 0.16 0.00 0.00 175.35 175.74 2nqy s LYS 53 N 1.25 3.64 0.31 4.03 1.02 -1.26 -0.86 119.74 127.88 2nqy s LYS 53 Ca -0.06 0.08 0.10 0.00 0.02 0.00 0.00 55.97 56.11 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 -0.02 0.73 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.03 2nqy s PHE 54 N -1.01 2.49 -0.67 3.18 0.08 0.00 -4.95 117.98 117.09 2nqy s PHE 54 Ca 0.18 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.90 2nqy s PHE 54 Cb -0.14 -1.31 0.34 0.00 -0.57 0.00 0.00 43.02 41.34 2nqy s PHE 54 CO 0.08 0.58 1.03 0.27 -0.10 0.00 0.00 175.22 177.07 2nqy n ASN 55 N -0.84 2.97 -3.17 1.36 0.23 -1.26 -4.60 115.26 109.95 2nqy n ASN 55 Ca -0.05 -2.40 -0.22 0.00 -0.53 0.00 0.00 54.58 51.39 2nqy n ASN 55 Cb 0.61 -0.58 0.06 0.00 -2.08 0.00 0.00 39.78 37.79 2nqy n ASN 55 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2nqy n GLU 56 N 0.24 -6.22 -0.00 -3.83 1.02 -0.94 -4.89 120.64 106.03 2nqy n GLU 56 Ca 0.12 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 2nqy n GLU 56 Cb 0.66 -5.67 -0.00 0.00 -0.02 0.00 0.00 31.44 26.40 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 -4.69 0.00 -4.87 2.62 -2.24 -1.26 -4.84 114.28 99.00 2nqy n THR 57 Ca -0.05 -0.17 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 2nqy n THR 57 Cb 0.58 0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.67 1.53 0.90 -0.78 -0.21 -1.26 -4.97 119.66 113.20 2nqy s GLN 58 Ca -0.00 -0.76 -0.12 0.00 0.02 0.00 0.00 55.36 54.50 2nqy s GLN 58 Cb 0.00 -1.52 0.13 0.00 1.00 0.00 0.00 33.01 32.63 2nqy s GLN 58 CO 0.01 0.41 1.09 0.95 -2.12 0.00 0.00 175.29 175.63 2nqy s THR 59 N -0.55 2.59 0.32 -0.19 -4.23 -1.26 -0.00 115.64 112.32 2nqy s THR 59 Ca 0.07 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 2nqy s THR 59 Cb -0.08 -2.70 0.20 0.00 1.34 0.00 0.00 72.50 71.26 2nqy s THR 59 CO -0.00 -0.25 1.91 1.12 -0.54 0.00 0.00 174.62 176.85 2nqy h HIS 60 N -1.57 0.77 -0.71 3.99 2.07 -1.94 -1.16 115.15 116.61 2nqy h HIS 60 Ca -0.50 -0.04 0.06 0.00 -2.85 0.00 0.00 60.37 57.04 2nqy h HIS 60 Cb 1.29 -0.24 -0.06 0.00 2.57 0.00 0.00 27.41 30.97 2nqy h HIS 60 CO 0.41 0.60 0.41 1.96 -3.07 0.00 0.00 177.93 178.24 2nqy h GLN 61 N 0.76 0.73 -0.10 5.12 7.50 -1.92 -1.35 115.11 125.85 2nqy h GLN 61 Ca 0.18 -0.04 -0.14 0.00 0.50 0.00 0.00 58.65 59.15 2nqy h GLN 61 Cb 0.15 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 2nqy h GLN 61 CO -0.02 0.48 -0.56 1.96 -1.50 0.00 0.00 178.83 179.20 2nqy h GLN 62 N 0.75 0.29 -0.20 1.46 4.20 -1.74 -3.03 115.11 116.85 2nqy h GLN 62 Ca 0.31 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2nqy h GLN 62 Cb 0.18 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2nqy h GLN 62 CO -0.18 0.77 0.07 0.28 -0.67 0.00 0.00 178.83 179.11 2nqy h VAL 63 N 0.22 1.17 0.00 -0.54 2.07 -1.01 -3.48 116.25 114.68 2nqy h VAL 63 Ca 0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2nqy h VAL 63 Cb 1.05 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2nqy h VAL 63 CO 0.09 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.46 2nqy n GLY 64 N -0.66 0.46 3.68 2.17 0.00 -0.53 -4.82 105.19 105.48 2nqy n GLY 64 Ca -0.04 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 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 -2.95 7.13 -0.07 1.61 2.47 -1.26 -4.69 114.94 117.18 2nqy s ASN 65 Ca 0.00 1.66 0.02 0.00 0.42 0.00 0.00 52.86 54.96 2nqy s ASN 65 Cb 0.00 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 2nqy s ASN 65 CO 0.00 -0.54 -0.10 -0.04 -3.72 0.00 0.00 177.10 172.70 2nqy s MET 66 N 2.24 2.72 -0.20 0.43 -1.94 -1.26 -0.17 119.30 121.12 2nqy s MET 66 Ca 0.52 -0.62 -0.18 0.00 -1.71 0.00 0.00 55.69 53.70 2nqy s MET 66 Cb -0.21 -2.52 0.05 0.00 2.01 0.00 0.00 34.83 34.17 2nqy s MET 66 CO 0.19 0.60 0.54 0.45 -0.01 0.00 0.00 175.02 176.78 2nqy s SER 67 N -0.65 -0.57 -0.10 3.03 0.15 -0.72 -2.16 113.70 112.69 2nqy s SER 67 Ca 0.10 1.09 0.02 0.00 0.70 0.00 0.00 55.95 57.86 2nqy s SER 67 Cb -0.11 1.09 0.01 0.00 -1.71 0.00 0.00 66.02 65.30 2nqy s SER 67 CO 0.01 -0.19 -0.17 -0.63 1.20 0.00 0.00 173.24 173.47 2nqy s ILE 68 N 0.36 1.56 -0.17 6.45 1.01 -0.42 -0.14 121.20 129.85 2nqy s ILE 68 Ca -0.01 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 2nqy s ILE 68 Cb -0.04 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 2nqy s ILE 68 CO -0.00 0.45 0.23 -0.44 0.00 0.00 0.00 174.94 175.18 2nqy s SER 69 N 0.77 6.36 0.06 3.58 0.01 -0.60 -0.07 113.70 123.80 2nqy s SER 69 Ca -0.11 0.41 -0.06 0.00 1.31 0.00 0.00 55.95 57.51 2nqy s SER 69 Cb -0.16 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 2nqy s SER 69 CO 0.02 0.14 0.10 -0.72 0.41 0.00 0.00 173.24 173.19 2nqy s TYR 70 N 0.37 0.27 -0.14 2.43 1.13 -0.16 -0.80 117.35 120.45 2nqy s TYR 70 Ca 0.13 -0.69 -0.08 0.00 -1.41 0.00 0.00 57.07 55.03 2nqy s TYR 70 Cb -0.12 -0.18 0.05 0.00 -1.10 0.00 0.00 41.96 40.61 2nqy s TYR 70 CO 0.02 -0.44 0.33 0.20 -2.51 0.00 0.00 175.55 173.15 2nqy s GLY 71 N -2.63 -0.24 0.00 5.49 0.00 0.01 -1.21 107.32 108.75 2nqy s GLY 71 Ca 0.02 1.25 0.00 0.00 0.00 0.00 0.00 44.72 45.99 2nqy s GLY 71 CO -0.09 1.42 -0.01 0.00 0.00 0.00 0.00 173.10 174.43 2nqy s ALA 72 N 1.22 0.03 -0.45 3.20 0.00 0.70 -1.61 121.76 124.85 2nqy s ALA 72 Ca -0.08 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 2nqy s ALA 72 Cb -0.09 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.09 2nqy s ALA 72 CO -0.10 -0.03 0.63 1.21 0.00 0.00 0.00 175.76 177.47 2nqy s ASN 73 N -0.32 6.29 -0.35 0.00 3.84 0.83 -4.74 114.94 120.49 2nqy s ASN 73 Ca -0.03 -0.48 -0.04 0.00 0.21 0.00 0.00 52.86 52.52 2nqy s ASN 73 Cb -0.02 -2.31 0.07 0.00 -0.55 0.00 0.00 41.25 38.44 2nqy s ASN 73 CO -0.00 -0.79 0.10 0.12 -2.79 0.00 0.00 177.10 173.74 2nqy s PHE 74 N 2.75 3.37 -0.58 0.43 5.36 -1.26 -0.34 117.98 127.71 2nqy s PHE 74 Ca 0.20 -1.93 0.06 0.00 -0.96 0.00 0.00 56.93 54.31 2nqy s PHE 74 Cb -0.15 -2.55 0.27 0.00 -0.34 0.00 0.00 43.02 40.25 2nqy s PHE 74 CO 0.17 -0.84 0.75 1.04 -1.46 0.00 0.00 175.22 174.88 2nqy n GLN 75 N 4.67 2.35 -2.99 10.12 1.13 -0.20 -5.02 117.38 127.44 2nqy n GLN 75 Ca -0.09 -4.46 -0.32 0.00 -1.94 0.00 0.00 57.00 50.18 2nqy n GLN 75 Cb 0.43 -2.09 -0.06 0.00 0.11 0.00 0.00 30.24 28.63 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 4.03 -0.76 -1.09 0.04 -1.25 -1.70 135.00 131.77 2nqy s PRO 76 Ca 0.41 0.77 0.03 0.00 0.04 0.00 0.00 61.00 62.25 2nqy s PRO 76 Cb 0.18 -2.35 0.24 0.00 0.04 0.00 0.00 34.50 32.61 2nqy s PRO 76 CO -0.05 0.07 0.80 0.43 0.04 0.00 0.00 177.00 178.29 2nqy n SER 77 N -0.60 4.07 0.00 6.66 7.64 0.14 -4.94 113.62 126.59 2nqy n SER 77 Ca 0.04 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.58 2nqy n SER 77 Cb 0.53 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.40 0.61 3.70 0.23 0.00 -1.26 -3.42 105.19 106.45 2nqy n GLY 78 Ca 0.26 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 7.00 -0.06 1.61 3.84 -1.26 -2.87 114.94 119.20 2nqy s ASN 79 Ca 0.00 2.00 -0.29 0.00 0.21 0.00 0.00 52.86 54.78 2nqy s ASN 79 Cb 0.00 -2.57 0.11 0.00 -0.55 0.00 0.00 41.25 38.24 2nqy s ASN 79 CO 0.00 -0.58 0.92 0.00 -2.79 0.00 0.00 177.10 174.65 2nqy s ALA 80 N 1.74 -1.86 -0.01 1.71 0.00 -1.26 -1.28 121.76 120.80 2nqy s ALA 80 Ca 0.59 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.81 2nqy s ALA 80 Cb -0.29 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2nqy s ALA 80 CO 0.26 -0.55 -0.11 0.71 0.00 0.00 0.00 175.76 176.07 2nqy s TYR 81 N -2.40 1.00 -0.24 0.00 2.02 0.04 -1.45 117.35 116.33 2nqy s TYR 81 Ca 0.02 -0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 2nqy s TYR 81 Cb -0.01 -0.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 2nqy s TYR 81 CO -0.05 -0.02 0.02 -1.17 -1.57 0.00 0.00 175.55 172.77 2nqy s LEU 82 N -0.30 3.24 0.17 -1.29 2.96 -0.04 -1.55 118.68 121.88 2nqy s LEU 82 Ca 0.04 -0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 53.39 2nqy s LEU 82 Cb -0.04 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.86 2nqy s LEU 82 CO -0.00 -0.05 0.55 0.00 -1.32 0.00 0.00 176.35 175.53 2nqy s VAL 84 N -3.81 5.08 0.10 0.00 1.01 0.20 0.94 120.40 123.91 2nqy s VAL 84 Ca 0.04 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.28 2nqy s VAL 84 Cb -0.01 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2nqy s VAL 84 CO -0.09 0.31 -0.11 -0.47 0.00 0.00 0.00 175.10 174.75 2nqy s TYR 85 N 0.55 1.11 -0.89 5.22 6.14 0.33 -1.03 117.35 128.78 2nqy s TYR 85 Ca 0.32 -0.61 0.00 0.00 0.64 0.00 0.00 57.07 57.42 2nqy s TYR 85 Cb -0.17 -0.60 0.00 0.00 0.42 0.00 0.00 41.96 41.61 2nqy s TYR 85 CO 0.15 0.02 0.00 0.41 0.64 0.00 0.00 175.55 176.77 2nqy n GLY 86 N 0.67 -0.97 3.08 8.97 0.00 -1.06 -1.44 105.19 114.43 2nqy n GLY 86 Ca -0.17 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 0.31 0.36 1.61 0.52 -1.21 -1.18 118.94 116.35 2nqy s TRP 87 Ca 0.00 -0.69 0.08 0.00 0.02 0.00 0.00 56.10 55.51 2nqy s TRP 87 Cb 0.00 -0.23 -0.07 0.00 -1.15 0.00 0.00 33.47 32.02 2nqy s TRP 87 CO 0.00 -0.33 -0.04 0.95 0.02 0.00 0.00 176.95 177.55 2nqy s THR 88 N -2.79 2.00 0.17 2.01 -4.23 -0.22 -1.40 115.64 111.18 2nqy s THR 88 Ca -0.03 -2.10 0.09 0.00 -1.18 0.00 0.00 61.69 58.46 2nqy s THR 88 Cb -0.00 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 2nqy s THR 88 CO -0.06 -0.12 -0.19 0.68 -0.54 0.00 0.00 174.62 174.39 2nqy s VAL 89 N -2.75 1.94 -0.99 2.29 -7.23 -0.15 -1.94 120.40 111.57 2nqy s VAL 89 Ca 0.33 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.42 2nqy s VAL 89 Cb 0.06 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 2nqy s VAL 89 CO 0.16 -0.29 0.72 -1.20 -0.31 0.00 0.00 175.10 174.19 2nqy n SER 90 N 0.25 -5.57 -4.83 4.85 7.64 -1.26 -0.14 113.62 114.55 2nqy n SER 90 Ca -0.13 -0.86 -0.32 0.00 1.01 0.00 0.00 58.87 58.57 2nqy n SER 90 Cb 0.57 -3.14 -0.03 0.00 -1.01 0.00 0.00 64.21 60.60 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 -5.29 3.90 -0.25 1.43 0.04 -1.26 -4.29 135.00 129.28 2nqy s PRO 91 Ca 0.27 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.05 2nqy s PRO 91 Cb -0.10 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 2nqy s PRO 91 CO 0.86 -0.31 1.30 -1.17 0.04 0.00 0.00 177.00 177.72 2nqy s LEU 92 N -3.96 3.97 -0.03 -3.56 2.96 -1.26 -4.09 118.68 112.72 2nqy s LEU 92 Ca 0.60 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.88 2nqy s LEU 92 Cb -0.11 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.07 2nqy s LEU 92 CO 0.29 -0.99 0.05 -0.69 -1.32 0.00 0.00 176.35 173.69 2nqy s VAL 93 N 4.13 -0.05 -0.22 1.68 1.01 -0.82 -3.26 120.40 122.88 2nqy s VAL 93 Ca 0.56 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2nqy s VAL 93 Cb -0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 2nqy s VAL 93 CO 0.21 0.07 0.16 -0.70 0.00 0.00 0.00 175.10 174.84 2nqy s GLU 94 N 0.95 4.13 0.21 2.72 2.12 -0.56 -1.06 118.70 127.21 2nqy s GLU 94 Ca -0.08 -0.22 0.09 0.00 0.36 0.00 0.00 54.97 55.13 2nqy s GLU 94 Cb -0.11 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 2nqy s GLU 94 CO -0.03 0.16 -0.18 1.52 -0.54 0.00 0.00 175.26 176.19 2nqy s TYR 95 N 0.77 1.94 -0.03 5.30 -0.85 -0.32 -1.72 117.35 122.43 2nqy s TYR 95 Ca 0.09 -0.46 -0.02 0.00 -0.52 0.00 0.00 57.07 56.16 2nqy s TYR 95 Cb -0.13 -0.91 0.02 0.00 0.38 0.00 0.00 41.96 41.32 2nqy s TYR 95 CO 0.02 0.45 0.08 0.71 -1.52 0.00 0.00 175.55 175.29 2nqy s TYR 96 N -2.42 -0.07 -0.27 -3.49 1.51 0.37 -2.58 117.35 110.40 2nqy s TYR 96 Ca 0.22 0.25 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 2nqy s TYR 96 Cb -0.04 -0.07 0.07 0.00 -0.11 0.00 0.00 41.96 41.81 2nqy s TYR 96 CO 0.09 -0.09 -0.03 0.42 -1.11 0.00 0.00 175.55 174.84 2nqy s ILE 97 N 0.62 1.78 -0.25 2.71 1.01 -0.20 -0.75 121.20 126.12 2nqy s ILE 97 Ca -0.05 -1.59 -0.08 0.00 0.00 0.00 0.00 60.65 58.93 2nqy s ILE 97 Cb -0.07 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2nqy s ILE 97 CO -0.02 -0.25 0.10 -0.69 0.00 0.00 0.00 174.94 174.08 2nqy s VAL 98 N 1.24 4.62 -0.16 2.92 1.01 0.95 -0.63 120.40 130.35 2nqy s VAL 98 Ca -0.01 -0.07 0.18 0.00 0.00 0.00 0.00 61.98 62.08 2nqy s VAL 98 Cb -0.19 -3.17 -0.26 0.00 0.00 0.00 0.00 36.38 32.76 2nqy s VAL 98 CO -0.08 0.32 0.14 0.47 0.00 0.00 0.00 175.10 175.95 2nqy n ASP 99 N 4.88 0.18 -3.96 3.32 9.92 -0.71 -1.14 116.55 129.04 2nqy n ASP 99 Ca -0.16 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.01 2nqy n ASP 99 Cb 0.52 1.17 -0.08 0.00 -0.64 0.00 0.00 41.12 42.09 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 -5.22 0.16 0.34 -2.24 0.15 -1.02 -1.18 113.70 104.69 2nqy s SER 100 Ca -0.09 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 55.65 2nqy s SER 100 Cb 0.07 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 2nqy s SER 100 CO 0.82 -0.78 0.52 -1.66 1.20 0.00 0.00 173.24 173.33 2nqy s TRP 101 N -3.94 0.91 0.00 3.44 -2.14 -1.26 -0.86 118.94 115.09 2nqy s TRP 101 Ca 0.13 -1.20 0.00 0.00 2.66 0.00 0.00 56.10 57.68 2nqy s TRP 101 Cb 0.05 0.05 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 2nqy s TRP 101 CO -0.05 -1.19 0.00 0.41 -2.66 0.00 0.00 176.95 173.46 2nqy n GLY 102 N -0.55 0.42 0.29 3.67 0.00 -0.53 -4.91 105.19 103.58 2nqy n GLY 102 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.07 -3.68 1.61 2.04 -1.14 -4.82 115.26 110.36 2nqy n ASN 103 Ca 0.00 -1.02 -0.14 0.00 -0.44 0.00 0.00 54.58 52.97 2nqy n ASN 103 Cb 0.00 0.07 -0.14 0.00 -2.53 0.00 0.00 39.78 37.18 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 -2.35 -0.32 -0.30 -2.53 -0.00 -1.26 -5.03 118.94 107.15 2nqy s TRP 104 Ca 0.29 0.81 -0.29 0.00 -0.00 0.00 0.00 56.10 56.91 2nqy s TRP 104 Cb 0.20 -0.10 0.01 0.00 -0.00 0.00 0.00 33.47 33.58 2nqy s TRP 104 CO 0.46 -0.30 1.11 0.50 -0.00 0.00 0.00 176.95 178.72 2nqy s ARG 105 N 2.18 4.08 0.74 5.86 3.52 -1.26 -4.86 118.95 129.20 2nqy s ARG 105 Ca 0.00 1.16 -0.12 0.00 -0.13 0.00 0.00 55.73 56.65 2nqy s ARG 105 Cb -0.12 -3.75 0.04 0.00 -1.56 0.00 0.00 34.95 29.56 2nqy s ARG 105 CO -0.07 -0.89 1.12 -1.25 -0.81 0.00 0.00 175.30 173.40 2nqy s PRO 106 N 3.67 2.55 0.00 5.12 0.04 -1.26 -4.23 135.00 140.89 2nqy s PRO 106 Ca 0.47 0.36 0.18 0.00 0.04 0.00 0.00 61.00 62.06 2nqy s PRO 106 Cb -0.14 -1.99 0.42 0.00 0.04 0.00 0.00 34.50 32.83 2nqy s PRO 106 CO 0.15 -1.23 1.35 -0.35 0.04 0.00 0.00 177.00 176.95 2nqy n PRO 107 N -3.12 2.48 -2.27 0.56 -0.04 -1.26 -4.90 135.00 126.44 2nqy n PRO 107 Ca 0.07 -2.22 -0.03 0.00 -0.04 0.00 0.00 63.50 61.28 2nqy n PRO 107 Cb 0.58 -1.43 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.19 0.39 3.26 0.55 0.00 -1.26 -5.08 105.19 104.24 2nqy n GLY 108 Ca 0.17 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.05 1.54 0.00 4.61 0.00 -1.26 -5.13 121.76 118.48 2nqy s ALA 109 Ca 0.01 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 49.89 2nqy s ALA 109 Cb -0.01 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.39 2nqy s ALA 109 CO 0.10 -0.57 0.91 0.99 0.00 0.00 0.00 175.76 177.20 2nqy s THR 110 N -3.86 4.85 0.62 0.00 2.01 -1.26 -5.03 115.64 112.97 2nqy s THR 110 Ca 0.38 1.92 -0.18 0.00 0.31 0.00 0.00 61.69 64.12 2nqy s THR 110 Cb 0.06 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2nqy s THR 110 CO 0.16 0.21 1.22 -2.84 -0.69 0.00 0.00 174.62 172.68 2nqy s PRO 111 N 0.78 2.81 -0.01 4.92 0.02 -1.26 -4.71 135.00 137.56 2nqy s PRO 111 Ca 0.48 1.84 0.16 0.00 0.02 0.00 0.00 61.00 63.49 2nqy s PRO 111 Cb -0.21 -1.91 -0.19 0.00 0.02 0.00 0.00 34.50 32.22 2nqy s PRO 111 CO 0.26 -1.33 0.58 1.63 -0.33 0.00 0.00 177.00 177.80 2nqy n LYS 112 N -1.79 1.50 -3.34 5.54 5.02 0.25 -4.99 118.16 120.35 2nqy n LYS 112 Ca 0.14 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2nqy n LYS 112 Cb 0.50 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 1.43 -1.55 3.05 0.72 0.00 -1.23 -5.00 105.19 102.61 2nqy n GLY 113 Ca 0.01 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.40 0.33 -0.05 2.61 -4.23 -1.26 -1.00 115.64 109.63 2nqy s THR 114 Ca 0.00 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 2nqy s THR 114 Cb 0.00 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 73.02 2nqy s THR 114 CO 0.00 -0.63 -0.10 -0.51 -0.54 0.00 0.00 174.62 172.83 2nqy s ILE 115 N -2.29 0.95 -0.27 2.99 2.07 -0.37 -4.96 121.20 119.32 2nqy s ILE 115 Ca -0.05 -0.40 -0.07 0.00 -1.41 0.00 0.00 60.65 58.72 2nqy s ILE 115 Cb -0.04 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 2nqy s ILE 115 CO -0.03 0.31 0.06 -0.89 -1.91 0.00 0.00 174.94 172.47 2nqy s THR 116 N 0.56 4.01 -0.14 4.00 2.01 -1.26 -0.51 115.64 124.31 2nqy s THR 116 Ca -0.11 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2nqy s THR 116 Cb -0.14 -2.96 0.10 0.00 0.01 0.00 0.00 72.50 69.51 2nqy s THR 116 CO 0.02 0.23 0.84 0.54 -0.69 0.00 0.00 174.62 175.55 2nqy s VAL 117 N 1.54 0.00 -1.47 3.82 0.11 -0.48 -4.97 120.40 118.95 2nqy s VAL 117 Ca 0.04 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.00 2nqy s VAL 117 Cb -0.16 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.75 2nqy s VAL 117 CO 0.02 0.00 0.91 0.47 -3.33 0.00 0.00 175.10 173.17 2nqy n ASP 118 N 1.16 -3.85 -0.48 3.54 8.00 -1.26 -1.83 116.55 121.83 2nqy n ASP 118 Ca -0.15 -0.78 -0.06 0.00 0.71 0.00 0.00 54.79 54.51 2nqy n ASP 118 Cb 0.57 -3.97 -0.03 0.00 -0.02 0.00 0.00 41.12 37.67 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 -1.68 0.79 3.49 0.44 0.00 -1.26 -4.94 105.19 102.03 2nqy n GLY 119 Ca -0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.49 0.96 -0.08 -0.02 0.00 -0.76 -5.14 107.32 99.79 2nqy s GLY 120 Ca 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.55 2nqy s GLY 120 CO 0.00 -0.87 -0.20 -1.59 0.00 0.00 0.00 173.10 170.44 2nqy s THR 121 N -3.77 2.51 -0.09 0.90 2.01 -1.26 -1.39 115.64 114.55 2nqy s THR 121 Ca 0.28 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2nqy s THR 121 Cb 0.01 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 2nqy s THR 121 CO 0.13 0.56 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.09 2nqy s TYR 122 N -0.06 2.58 0.24 4.92 1.51 0.33 -0.35 117.35 126.51 2nqy s TYR 122 Ca -0.05 -0.78 -0.29 0.00 -1.01 0.00 0.00 57.07 54.94 2nqy s TYR 122 Cb -0.14 -1.69 -0.09 0.00 -0.11 0.00 0.00 41.96 39.93 2nqy s TYR 122 CO 0.04 -0.26 0.92 -0.51 -1.11 0.00 0.00 175.55 174.64 2nqy s ASP 123 N 0.08 7.60 -0.14 2.29 1.01 -0.55 -1.24 116.67 125.71 2nqy s ASP 123 Ca -0.10 1.91 -0.04 0.00 0.71 0.00 0.00 52.55 55.03 2nqy s ASP 123 Cb -0.15 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 2nqy s ASP 123 CO 0.06 0.15 0.01 -0.63 0.21 0.00 0.00 175.17 174.96 2nqy s ILE 124 N -1.21 4.31 0.05 0.77 1.01 -0.17 -1.09 121.20 124.86 2nqy s ILE 124 Ca 0.41 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.86 2nqy s ILE 124 Cb -0.25 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 2nqy s ILE 124 CO 0.31 0.51 -0.06 -0.31 0.00 0.00 0.00 174.94 175.40 2nqy s TYR 125 N 0.01 0.59 -0.06 3.97 1.51 -0.61 0.84 117.35 123.60 2nqy s TYR 125 Ca 0.03 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.43 2nqy s TYR 125 Cb -0.13 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.36 2nqy s TYR 125 CO 0.02 -0.17 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.15 2nqy s GLU 126 N -2.39 1.75 0.35 -0.62 2.12 -1.26 -1.15 118.70 117.50 2nqy s GLU 126 Ca -0.04 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.85 2nqy s GLU 126 Cb -0.04 -1.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.86 2nqy s GLU 126 CO -0.03 0.08 0.11 0.95 -0.54 0.00 0.00 175.26 175.84 2nqy s THR 127 N 0.50 0.71 -0.05 -1.70 -4.23 -0.41 -4.97 115.64 105.49 2nqy s THR 127 Ca -0.12 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 2nqy s THR 127 Cb -0.15 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.16 2nqy s THR 127 CO 0.04 0.00 -0.13 -0.62 -0.54 0.00 0.00 174.62 173.37 2nqy s ASP 128 N -3.50 1.76 -0.18 3.99 2.15 -1.26 -0.35 116.67 119.28 2nqy s ASP 128 Ca 0.31 -0.29 -0.00 0.00 0.43 0.00 0.00 52.55 53.00 2nqy s ASP 128 Cb 0.05 -0.63 0.01 0.00 -0.30 0.00 0.00 42.92 42.05 2nqy s ASP 128 CO 0.15 0.08 -0.15 -0.13 -0.17 0.00 0.00 175.17 174.95 2nqy s ARG 129 N 0.35 3.16 -0.26 4.34 1.81 -0.18 -4.96 118.95 123.21 2nqy s ARG 129 Ca -0.08 -0.76 -0.06 0.00 -1.72 0.00 0.00 55.73 53.11 2nqy s ARG 129 Cb -0.13 -2.67 -0.01 0.00 -0.45 0.00 0.00 34.95 31.69 2nqy s ARG 129 CO 0.02 -0.11 0.04 0.99 -0.68 0.00 0.00 175.30 175.57 2nqy s THR 130 N 1.11 3.90 -1.26 0.02 2.01 -1.26 -1.31 115.64 118.84 2nqy s THR 130 Ca 0.00 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 2nqy s THR 130 Cb -0.14 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 2nqy s THR 130 CO -0.05 0.26 0.70 0.59 -0.69 0.00 0.00 174.62 175.43 2nqy n ASN 131 N 4.86 -2.45 -4.64 3.53 3.02 -0.94 -4.92 115.26 113.72 2nqy n ASN 131 Ca -0.16 -0.88 -0.24 0.00 -0.03 0.00 0.00 54.58 53.27 2nqy n ASN 131 Cb 0.50 -3.87 -0.08 0.00 -0.61 0.00 0.00 39.78 35.72 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 -5.92 2.16 0.32 3.52 -1.52 -0.08 -4.64 119.66 113.51 2nqy s GLN 132 Ca 0.15 -1.63 -0.28 0.00 -1.95 0.00 0.00 55.36 51.65 2nqy s GLN 132 Cb -0.04 -2.03 -0.13 0.00 -0.22 0.00 0.00 33.01 30.59 2nqy s GLN 132 CO 0.83 0.20 1.15 -2.30 -0.25 0.00 0.00 175.29 174.91 2nqy n PRO 133 N -0.96 1.73 -3.94 2.91 -0.02 -1.26 -0.69 135.00 132.77 2nqy n PRO 133 Ca -0.05 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 2nqy n PRO 133 Cb 0.61 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 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 -0.44 0.00 0.24 2.55 1.04 -0.70 -4.84 113.70 111.55 2nqy s SER 134 Ca 0.57 -0.94 0.18 0.00 0.48 0.00 0.00 55.95 56.24 2nqy s SER 134 Cb -0.64 0.68 0.91 0.00 0.10 0.00 0.00 66.02 67.08 2nqy s SER 134 CO 0.61 -1.31 1.55 2.30 0.98 0.00 0.00 173.24 177.37 2nqy n ILE 135 N -0.45 1.17 -1.65 -1.02 -5.35 -1.26 -2.26 119.36 108.54 2nqy n ILE 135 Ca -0.03 0.60 -0.08 0.00 -0.27 0.00 0.00 62.75 62.96 2nqy n ILE 135 Cb 0.61 -1.57 0.15 0.00 -1.74 0.00 0.00 39.64 37.08 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 -2.09 2.29 0.00 6.28 4.76 -1.26 -5.10 118.16 123.03 2nqy n LYS 136 Ca -0.00 -3.50 0.00 0.00 -2.87 0.00 0.00 58.31 51.93 2nqy n LYS 136 Cb 0.06 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.35 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 -1.00 -1.30 3.69 0.72 0.00 -0.96 -4.76 105.19 101.58 2nqy n GLY 137 Ca 0.34 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 3.00 0.11 1.61 1.01 -1.26 -1.72 120.40 123.16 2nqy s VAL 138 Ca 0.00 0.41 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 2nqy s VAL 138 Cb 0.00 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.17 2nqy s VAL 138 CO 0.00 -0.01 0.54 0.00 0.00 0.00 0.00 175.10 175.64 2nqy s ALA 139 N 2.84 -1.40 -0.16 5.51 0.00 0.13 -4.84 121.76 123.84 2nqy s ALA 139 Ca 0.76 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 2nqy s ALA 139 Cb -0.40 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2nqy s ALA 139 CO 0.33 -0.66 0.13 0.99 0.00 0.00 0.00 175.76 176.56 2nqy s THR 140 N -3.30 5.46 0.08 0.00 2.01 -1.26 -0.90 115.64 117.73 2nqy s THR 140 Ca -0.01 0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.93 2nqy s THR 140 Cb -0.00 -3.43 0.08 0.00 0.01 0.00 0.00 72.50 69.16 2nqy s THR 140 CO -0.09 0.54 0.69 0.72 -0.69 0.00 0.00 174.62 175.79 2nqy s PHE 141 N -0.41 -0.51 0.38 4.92 -0.71 -0.43 -4.93 117.98 116.29 2nqy s PHE 141 Ca 0.12 0.45 -0.07 0.00 -1.04 0.00 0.00 56.93 56.39 2nqy s PHE 141 Cb -0.12 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 2nqy s PHE 141 CO 0.01 -0.72 0.69 -1.12 -1.34 0.00 0.00 175.22 172.73 2nqy s SER 142 N -2.37 6.42 -0.05 1.98 0.01 -1.20 -1.01 113.70 117.48 2nqy s SER 142 Ca -0.00 0.89 0.06 0.00 1.31 0.00 0.00 55.95 58.21 2nqy s SER 142 Cb -0.01 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2nqy s SER 142 CO -0.08 -0.37 -0.23 -1.10 0.41 0.00 0.00 173.24 171.88 2nqy s GLN 143 N -4.00 2.44 -0.10 12.44 -0.21 0.53 -1.50 119.66 129.26 2nqy s GLN 143 Ca 0.47 -0.86 -0.00 0.00 0.02 0.00 0.00 55.36 54.99 2nqy s GLN 143 Cb -0.10 -2.19 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 2nqy s GLN 143 CO 0.34 0.48 -0.09 0.71 -2.12 0.00 0.00 175.29 174.61 2nqy s TYR 144 N -0.39 2.87 -0.03 0.91 2.02 -0.70 -1.29 117.35 120.75 2nqy s TYR 144 Ca 0.03 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 2nqy s TYR 144 Cb -0.12 -1.80 -0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2nqy s TYR 144 CO 0.02 0.05 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.33 2nqy s TRP 145 N -0.16 1.32 -0.14 2.71 0.52 -0.30 -0.48 118.94 122.42 2nqy s TRP 145 Ca 0.01 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.83 2nqy s TRP 145 Cb -0.13 -0.89 0.01 0.00 -1.15 0.00 0.00 33.47 31.31 2nqy s TRP 145 CO 0.03 -0.10 -0.22 -1.12 0.02 0.00 0.00 176.95 175.57 2nqy s SER 146 N -0.04 3.11 -0.17 2.95 0.01 0.07 -1.58 113.70 118.05 2nqy s SER 146 Ca -0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2nqy s SER 146 Cb -0.09 -1.44 0.03 0.00 0.21 0.00 0.00 66.02 64.74 2nqy s SER 146 CO 0.01 0.08 -0.11 -0.89 0.41 0.00 0.00 173.24 172.74 2nqy s THR 147 N 0.83 1.51 0.66 1.44 2.01 -0.25 -0.03 115.64 121.81 2nqy s THR 147 Ca -0.07 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 2nqy s THR 147 Cb -0.15 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 2nqy s THR 147 CO -0.02 0.28 1.27 -1.14 -0.69 0.00 0.00 174.62 174.32 2nqy n ARG 148 N 4.76 1.02 0.16 4.92 0.63 -0.29 -1.49 116.66 126.36 2nqy n ARG 148 Ca -0.15 0.41 0.08 0.00 -0.92 0.00 0.00 57.85 57.26 2nqy n ARG 148 Cb 0.48 -2.51 0.07 0.00 0.45 0.00 0.00 32.46 30.95 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 0.39 0.00 -4.13 -0.14 3.08 -1.05 -3.45 114.38 109.08 2nqy h ARG 149 Ca -0.50 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.23 2nqy h ARG 149 Cb 1.34 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.10 2nqy h ARG 149 CO 0.52 0.19 -0.75 -1.54 -1.07 0.00 0.00 179.97 177.33 2nqy s SER 150 N -6.13 0.50 0.44 7.04 1.04 -1.26 -5.10 113.70 110.23 2nqy s SER 150 Ca 0.04 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.15 2nqy s SER 150 Cb 0.07 -0.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.00 2nqy s SER 150 CO 0.73 0.03 1.15 0.29 0.98 0.00 0.00 173.24 176.41 2nqy n LYS 151 N 3.15 1.60 -3.74 4.02 5.02 -1.26 -4.93 118.16 122.03 2nqy n LYS 151 Ca -0.15 0.58 -0.13 0.00 -2.02 0.00 0.00 58.31 56.58 2nqy n LYS 151 Cb 0.57 -2.24 -0.10 0.00 -0.02 0.00 0.00 35.03 33.25 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 -2.20 0.52 -0.04 1.97 3.52 -0.33 -5.00 118.95 117.40 2nqy s ARG 152 Ca 0.63 0.37 0.06 0.00 -0.13 0.00 0.00 55.73 56.67 2nqy s ARG 152 Cb -0.52 0.25 0.09 0.00 -1.56 0.00 0.00 34.95 33.21 2nqy s ARG 152 CO 0.56 -0.09 0.99 0.25 -0.81 0.00 0.00 175.30 176.20 2nqy n THR 153 N 2.46 1.07 -3.47 4.11 -2.24 -1.26 -3.79 114.28 111.16 2nqy n THR 153 Ca -0.15 -1.19 -0.13 0.00 -2.27 0.00 0.00 64.05 60.31 2nqy n THR 153 Cb 0.57 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.47 -0.53 0.00 3.42 1.04 -1.26 -0.22 113.70 114.69 2nqy s SER 154 Ca 0.10 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2nqy s SER 154 Cb 0.09 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2nqy s SER 154 CO 0.01 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2nqy n GLY 155 N -0.15 0.72 3.57 7.32 0.00 -0.35 -4.98 105.19 111.32 2nqy n GLY 155 Ca -0.17 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.39 4.08 -0.31 2.61 2.01 -1.26 -0.99 115.64 119.40 2nqy s THR 156 Ca 0.00 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 2nqy s THR 156 Cb 0.00 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.76 2nqy s THR 156 CO 0.00 0.53 0.09 -0.63 -0.69 0.00 0.00 174.62 173.91 2nqy s ILE 157 N -0.05 3.92 -1.30 1.82 1.01 0.89 -4.80 121.20 122.69 2nqy s ILE 157 Ca 0.02 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 2nqy s ILE 157 Cb -0.13 -3.08 0.11 0.00 0.01 0.00 0.00 42.46 39.38 2nqy s ILE 157 CO 0.02 0.01 1.78 -1.20 0.00 0.00 0.00 174.94 175.55 2nqy n SER 158 N 4.85 4.84 -0.20 3.58 7.64 -1.26 -1.31 113.62 131.77 2nqy n SER 158 Ca -0.14 -2.96 -0.03 0.00 1.01 0.00 0.00 58.87 56.75 2nqy n SER 158 Cb 0.47 -1.63 0.03 0.00 -1.01 0.00 0.00 64.21 62.07 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 4.66 0.26 -0.01 0.44 2.07 -1.81 -1.64 116.25 120.21 2nqy h VAL 159 Ca 0.43 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.91 2nqy h VAL 159 Cb 0.78 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2nqy h VAL 159 CO 1.51 0.00 -0.15 0.28 0.02 0.00 0.00 177.57 179.24 2nqy h SER 160 N -0.11 0.01 -0.65 0.57 0.02 -1.84 -1.58 113.55 109.97 2nqy h SER 160 Ca 0.26 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.24 2nqy h SER 160 Cb 0.52 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 2nqy h SER 160 CO -0.65 0.16 0.39 0.78 -1.14 0.00 0.00 176.83 176.37 2nqy h ASN 161 N 0.01 0.63 -0.56 3.07 4.21 -1.60 -0.14 115.58 121.21 2nqy h ASN 161 Ca 0.00 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 2nqy h ASN 161 Cb 0.27 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.32 2nqy h ASN 161 CO 0.02 0.43 0.27 0.45 -1.29 0.00 0.00 177.43 177.31 2nqy h HIS 162 N 0.76 0.80 -0.25 1.19 3.86 -1.26 -1.94 115.15 118.32 2nqy h HIS 162 Ca 0.27 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2nqy h HIS 162 Cb 0.06 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 2nqy h HIS 162 CO -0.06 0.62 0.16 0.74 0.86 0.00 0.00 177.93 180.25 2nqy h PHE 163 N 0.76 0.29 -0.80 2.45 0.04 -1.04 0.42 116.94 119.06 2nqy h PHE 163 Ca 0.19 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.98 2nqy h PHE 163 Cb 0.12 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 2nqy h PHE 163 CO -0.00 0.18 0.53 0.00 -0.60 0.00 0.00 178.31 178.42 2nqy h ARG 164 N 0.32 1.06 -0.29 1.51 3.08 -0.99 -1.90 114.38 117.18 2nqy h ARG 164 Ca 0.09 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2nqy h ARG 164 Cb -0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 2nqy h ARG 164 CO -0.03 0.70 0.04 0.00 -1.07 0.00 0.00 179.97 179.61 2nqy h ALA 165 N 1.29 0.38 -0.20 0.04 0.00 -0.87 -1.68 119.26 118.23 2nqy h ALA 165 Ca 0.29 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2nqy h ALA 165 Cb -0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2nqy h ALA 165 CO -0.06 0.08 -0.07 -1.49 0.00 0.00 0.00 179.25 177.71 2nqy h TRP 166 N 0.30 -0.15 -0.52 0.00 6.55 -0.82 -2.69 115.95 118.62 2nqy h TRP 166 Ca 0.09 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.90 2nqy h TRP 166 Cb 0.35 0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 28.72 2nqy h TRP 166 CO 0.02 -0.11 0.14 0.93 -1.05 0.00 0.00 178.44 178.38 2nqy h GLU 167 N -0.02 0.79 -0.24 0.49 5.08 -1.21 0.43 114.58 119.89 2nqy h GLU 167 Ca 0.10 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2nqy h GLU 167 Cb 0.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2nqy h GLU 167 CO -0.22 0.70 0.18 1.03 -1.00 0.00 0.00 179.01 179.70 2nqy h SER 168 N 0.77 0.00 -0.39 1.42 0.87 -1.13 -0.90 113.55 114.19 2nqy h SER 168 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2nqy h SER 168 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2nqy h SER 168 CO -0.00 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 2nqy n LEU 169 N -4.40 2.35 0.00 2.23 4.77 -0.46 -4.92 117.00 116.57 2nqy n LEU 169 Ca 0.03 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 2nqy n LEU 169 Cb 0.33 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2nqy n LEU 169 CO 0.35 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2nqy n GLY 170 N 1.23 0.68 3.52 -0.72 0.00 -0.34 -4.98 105.19 104.58 2nqy n GLY 170 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.17 3.91 0.30 1.61 -1.94 0.02 -4.95 119.30 118.08 2nqy s MET 171 Ca 0.00 -2.02 -0.25 0.00 -1.71 0.00 0.00 55.69 51.71 2nqy s MET 171 Cb 0.00 -5.28 -0.10 0.00 2.01 0.00 0.00 34.83 31.46 2nqy s MET 171 CO 0.00 -2.03 0.90 0.54 -0.01 0.00 0.00 175.02 174.42 2nqy s ASN 172 N 3.83 7.30 0.12 3.03 2.20 -1.26 -3.05 114.94 127.10 2nqy s ASN 172 Ca 0.46 1.76 0.05 0.00 -0.94 0.00 0.00 52.86 54.19 2nqy s ASN 172 Cb 0.00 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.66 2nqy s ASN 172 CO 0.00 -0.04 0.06 -0.04 -2.94 0.00 0.00 177.10 174.15 2nqy s MET 173 N -2.00 2.74 0.00 3.55 -1.94 -1.26 -4.82 119.30 115.57 2nqy s MET 173 Ca 0.48 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 2nqy s MET 173 Cb -0.18 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.05 2nqy s MET 173 CO 0.23 0.52 0.00 0.41 -0.01 0.00 0.00 175.02 176.18 2nqy n GLY 174 N 0.20 1.72 3.74 -0.03 0.00 -1.26 -4.72 105.19 104.84 2nqy n GLY 174 Ca -0.09 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.00 6.97 0.16 1.61 1.01 0.80 -4.45 116.67 121.77 2nqy s ASP 175 Ca 0.00 2.34 -0.32 0.00 0.71 0.00 0.00 52.55 55.28 2nqy s ASP 175 Cb 0.00 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 2nqy s ASP 175 CO 0.00 -0.46 1.66 -0.04 0.21 0.00 0.00 175.17 176.54 2nqy s MET 176 N -0.20 4.17 -0.18 8.23 -1.94 1.00 -0.97 119.30 129.41 2nqy s MET 176 Ca 0.55 2.47 0.08 0.00 -1.71 0.00 0.00 55.69 57.08 2nqy s MET 176 Cb -0.35 -3.23 -0.17 0.00 2.01 0.00 0.00 34.83 33.09 2nqy s MET 176 CO 0.38 -0.70 -0.06 0.98 -0.01 0.00 0.00 175.02 175.61 2nqy n TYR 177 N 4.38 0.00 -3.54 -0.03 4.19 -0.49 -2.21 117.16 119.45 2nqy n TYR 177 Ca 0.15 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.24 2nqy n TYR 177 Cb 0.38 -0.79 -0.05 0.00 0.49 0.00 0.00 39.34 39.37 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 0.79 -0.04 2.98 2.12 -1.12 -0.82 118.70 120.21 2nqy s GLU 178 Ca -0.17 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.21 2nqy s GLU 178 Cb 0.06 0.37 0.03 0.00 0.26 0.00 0.00 34.13 34.85 2nqy s GLU 178 CO 0.57 -0.27 0.10 0.54 -0.54 0.00 0.00 175.26 175.66 2nqy s VAL 179 N -1.58 -0.04 -0.28 3.70 0.11 -0.04 -3.34 120.40 118.94 2nqy s VAL 179 Ca -0.03 0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 58.95 2nqy s VAL 179 Cb -0.00 -0.17 0.09 0.00 -1.53 0.00 0.00 36.38 34.77 2nqy s VAL 179 CO 0.02 0.06 0.78 0.00 -3.33 0.00 0.00 175.10 172.62 2nqy s ALA 180 N 0.81 -1.90 0.10 1.54 0.00 -0.52 0.50 121.76 122.29 2nqy s ALA 180 Ca -0.06 2.19 -0.31 0.00 0.00 0.00 0.00 51.96 53.78 2nqy s ALA 180 Cb -0.09 -1.37 -0.08 0.00 0.00 0.00 0.00 23.12 21.58 2nqy s ALA 180 CO -0.03 -0.34 1.44 -1.17 0.00 0.00 0.00 175.76 175.65 2nqy s LEU 181 N 0.98 4.36 0.00 0.00 1.98 -0.97 -0.52 118.68 124.51 2nqy s LEU 181 Ca -0.05 2.35 0.01 0.00 -2.89 0.00 0.00 54.13 53.56 2nqy s LEU 181 Cb -0.05 -3.58 -0.00 0.00 0.66 0.00 0.00 46.19 43.22 2nqy s LEU 181 CO -0.10 -0.71 -0.04 -0.89 -1.89 0.00 0.00 176.35 172.72 2nqy s THR 182 N 1.44 0.32 -0.21 3.68 2.01 0.27 -2.55 115.64 120.59 2nqy s THR 182 Ca 0.66 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.38 2nqy s THR 182 Cb -0.37 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 2nqy s THR 182 CO 0.30 0.04 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.53 2nqy s VAL 183 N -0.21 3.34 -0.06 3.82 1.01 0.43 -1.22 120.40 127.51 2nqy s VAL 183 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2nqy s VAL 183 Cb -0.02 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2nqy s VAL 183 CO -0.00 0.44 -0.14 -0.70 0.00 0.00 0.00 175.10 174.69 2nqy s GLU 184 N 1.35 2.59 -0.03 2.72 2.12 -0.60 -0.04 118.70 126.81 2nqy s GLU 184 Ca 0.04 -0.69 0.07 0.00 0.36 0.00 0.00 54.97 54.75 2nqy s GLU 184 Cb -0.14 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.83 2nqy s GLU 184 CO -0.03 0.59 -0.24 0.20 -0.54 0.00 0.00 175.26 175.24 2nqy s GLY 185 N -0.63 1.20 -0.17 -1.50 0.00 -0.19 -0.78 107.32 105.27 2nqy s GLY 185 Ca 0.09 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 2nqy s GLY 185 CO 0.01 -0.77 -0.05 -0.47 0.00 0.00 0.00 173.10 171.82 2nqy s TYR 186 N -0.42 1.66 -1.23 1.90 5.04 -0.40 -2.10 117.35 121.80 2nqy s TYR 186 Ca 0.05 -1.06 -0.23 0.00 -2.44 0.00 0.00 57.07 53.39 2nqy s TYR 186 Cb -0.11 -1.29 0.01 0.00 0.35 0.00 0.00 41.96 40.92 2nqy s TYR 186 CO 0.01 -0.61 0.66 1.04 -1.34 0.00 0.00 175.55 175.30 2nqy n GLN 187 N 4.89 -1.08 -2.68 4.97 6.02 0.91 -4.01 117.38 126.40 2nqy n GLN 187 Ca -0.12 0.28 -0.02 0.00 -0.01 0.00 0.00 57.00 57.13 2nqy n GLN 187 Cb 0.48 -3.52 0.01 0.00 1.02 0.00 0.00 30.24 28.23 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 -2.52 -0.93 -4.23 1.08 3.41 -1.21 -4.70 113.62 104.51 2nqy n SER 188 Ca -0.14 -1.51 -0.13 0.00 -0.26 0.00 0.00 58.87 56.83 2nqy n SER 188 Cb 0.60 1.52 -0.10 0.00 -0.26 0.00 0.00 64.21 65.97 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 -2.26 1.00 0.00 4.04 0.01 -1.22 -2.82 113.70 112.46 2nqy s SER 189 Ca 0.12 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2nqy s SER 189 Cb -0.02 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2nqy s SER 189 CO 0.03 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2nqy n GLY 190 N -0.25 -1.66 3.47 3.44 0.00 -0.64 0.25 105.19 109.81 2nqy n GLY 190 Ca -0.05 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.22 -0.04 -0.17 1.61 1.04 -0.69 -1.68 113.70 110.54 2nqy s SER 191 Ca 0.00 -0.93 -0.25 0.00 0.48 0.00 0.00 55.95 55.25 2nqy s SER 191 Cb 0.00 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.71 2nqy s SER 191 CO 0.00 -1.04 0.65 0.00 0.98 0.00 0.00 173.24 173.83 2nqy s ALA 192 N -4.01 -1.63 -0.26 5.32 0.00 0.02 -1.04 121.76 120.16 2nqy s ALA 192 Ca 0.22 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2nqy s ALA 192 Cb 0.01 -0.66 0.08 0.00 0.00 0.00 0.00 23.12 22.55 2nqy s ALA 192 CO 0.06 -0.33 0.02 1.21 0.00 0.00 0.00 175.76 176.72 2nqy s ASN 193 N -0.26 3.86 -0.79 0.00 2.47 0.54 -0.76 114.94 120.01 2nqy s ASN 193 Ca -0.04 -1.38 -0.24 0.00 0.42 0.00 0.00 52.86 51.62 2nqy s ASN 193 Cb -0.03 -1.04 0.06 0.00 -1.45 0.00 0.00 41.25 38.79 2nqy s ASN 193 CO 0.04 -0.32 1.18 -0.69 -3.72 0.00 0.00 177.10 173.59 2nqy s VAL 194 N 1.48 4.10 -0.86 -5.21 1.01 -0.13 -0.12 120.40 120.67 2nqy s VAL 194 Ca 0.02 -0.33 0.25 0.00 0.00 0.00 0.00 61.98 61.92 2nqy s VAL 194 Cb -0.18 -4.84 0.00 0.00 0.00 0.00 0.00 36.38 31.36 2nqy s VAL 194 CO -0.12 -1.69 1.34 0.00 0.00 0.00 0.00 175.10 174.63 2nqy n TYR 195 N 8.34 0.18 -3.77 5.22 0.18 -0.63 -2.45 117.16 124.23 2nqy n TYR 195 Ca 0.09 0.05 -0.13 0.00 1.88 0.00 0.00 57.90 59.78 2nqy n TYR 195 Cb 0.48 -0.38 -0.14 0.00 -0.38 0.00 0.00 39.34 38.92 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 -3.44 -0.10 -0.29 9.48 0.15 -0.74 -4.92 113.70 113.84 2nqy s SER 196 Ca 0.09 0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 2nqy s SER 196 Cb 0.16 0.18 0.19 0.00 -1.71 0.00 0.00 66.02 64.84 2nqy s SER 196 CO 0.72 -0.13 0.78 0.21 1.20 0.00 0.00 173.24 176.02 2nqy s ASN 197 N 0.95 -1.13 -0.17 5.45 2.47 -1.24 -0.81 114.94 120.46 2nqy s ASN 197 Ca -0.07 0.16 0.01 0.00 0.42 0.00 0.00 52.86 53.38 2nqy s ASN 197 Cb -0.10 1.73 0.02 0.00 -1.45 0.00 0.00 41.25 41.46 2nqy s ASN 197 CO -0.05 -0.21 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.08 2nqy s THR 198 N 2.88 1.79 -0.21 -5.21 2.01 0.02 -3.43 115.64 113.50 2nqy s THR 198 Ca 0.17 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 2nqy s THR 198 Cb -0.07 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2nqy s THR 198 CO -0.24 0.45 0.48 -0.22 -0.69 0.00 0.00 174.62 174.40 2nqy s LEU 199 N 1.39 4.13 -0.10 4.42 2.96 -1.26 -1.56 118.68 128.65 2nqy s LEU 199 Ca 0.04 0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 2nqy s LEU 199 Cb -0.13 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 2nqy s LEU 199 CO -0.11 -0.17 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.59 2nqy s ARG 200 N 1.69 3.08 -0.18 1.98 0.52 0.80 -1.30 118.95 125.55 2nqy s ARG 200 Ca 0.22 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2nqy s ARG 200 Cb -0.15 -2.77 0.04 0.00 0.52 0.00 0.00 34.95 32.58 2nqy s ARG 200 CO 0.09 0.59 -0.10 0.42 0.02 0.00 0.00 175.30 176.33 2nqy s ILE 201 N -0.59 1.52 -1.50 1.52 1.01 -0.46 -1.75 121.20 120.94 2nqy s ILE 201 Ca 0.09 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 2nqy s ILE 201 Cb -0.12 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.79 2nqy s ILE 201 CO 0.02 0.21 0.64 0.59 0.00 0.00 0.00 174.94 176.40 2nqy n ASN 202 N 4.74 -5.67 0.00 3.58 3.02 0.75 -1.98 115.26 119.71 2nqy n ASN 202 Ca -0.14 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2nqy n ASN 202 Cb 0.47 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 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 -1.50 1.45 3.56 7.41 0.00 -1.26 -5.02 105.19 109.83 2nqy n GLY 203 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.20 5.77 0.57 1.61 0.02 -0.84 -4.98 114.94 113.90 2nqy s ASN 204 Ca 0.00 -0.04 -0.19 0.00 -1.02 0.00 0.00 52.86 51.61 2nqy s ASN 204 Cb 0.00 -2.06 -0.04 0.00 0.02 0.00 0.00 41.25 39.17 2nqy s ASN 204 CO 0.00 -0.02 1.15 -2.84 0.02 0.00 0.00 177.10 175.41 2nqy s PRO 205 N 1.56 3.17 0.00 -0.60 0.02 -1.26 -1.35 135.00 136.55 2nqy s PRO 205 Ca 0.07 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.73 2nqy s PRO 205 Cb -0.15 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2nqy s PRO 205 CO 0.08 -1.00 0.37 1.28 -0.33 0.00 0.00 177.00 177.39