#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqs s TYR 2 N 0.00 2.38 -0.07 1.61 1.51 -1.26 -1.40 117.35 120.12 3lqs s TYR 2 Ca 0.00 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 3lqs s TYR 2 Cb 0.00 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 3lqs s TYR 2 CO 0.00 -0.02 -0.18 0.99 -1.11 0.00 0.00 175.55 175.22 3lqs s THR 3 N -0.60 1.59 -0.09 -0.71 2.01 0.75 -4.63 115.64 113.95 3lqs s THR 3 Ca 0.09 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 3lqs s THR 3 Cb -0.10 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 3lqs s THR 3 CO -0.01 0.45 1.59 -0.22 -0.69 0.00 0.00 174.62 175.75 3lqs s LEU 4 N 0.34 4.24 -0.22 4.42 2.96 0.08 -1.08 118.68 129.41 3lqs s LEU 4 Ca -0.12 2.08 -0.01 0.00 -0.22 0.00 0.00 54.13 55.85 3lqs s LEU 4 Cb -0.15 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.07 3lqs s LEU 4 CO 0.05 -0.95 -0.00 0.86 -1.32 0.00 0.00 176.35 174.99 3lqs s TRP 5 N 4.12 1.77 0.00 5.38 -0.00 0.74 -1.22 118.94 129.73 3lqs s TRP 5 Ca 0.70 -1.37 0.00 0.00 -0.00 0.00 0.00 56.10 55.43 3lqs s TRP 5 Cb -0.30 -1.36 0.00 0.00 -0.00 0.00 0.00 33.47 31.81 3lqs s TRP 5 CO 0.27 -0.71 0.00 0.09 -0.00 0.00 0.00 176.95 176.60 3lqs n ASN 6 N 4.84 0.00 -0.52 5.86 3.02 0.94 -2.18 115.26 127.22 3lqs n ASN 6 Ca -0.10 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.53 3lqs n ASN 6 Cb 0.45 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.81 3lqs n ASN 6 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3lqs n ASP 7 N 10.69 3.11 -4.17 6.41 5.75 -1.26 -4.80 116.55 132.28 3lqs n ASP 7 Ca 0.00 -2.84 -0.22 0.00 -0.01 0.00 0.00 54.79 51.72 3lqs n ASP 7 Cb 0.00 -0.43 -0.14 0.00 -1.03 0.00 0.00 41.12 39.53 3lqs n ASP 7 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3lqs s GLN 8 N -2.48 1.06 -0.34 0.11 -0.21 -0.93 -5.10 119.66 111.78 3lqs s GLN 8 Ca 0.33 -0.80 -0.17 0.00 0.02 0.00 0.00 55.36 54.74 3lqs s GLN 8 Cb 0.27 -1.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.16 3lqs s GLN 8 CO 0.07 0.28 0.45 0.42 -2.12 0.00 0.00 175.29 174.39 3lqs s ILE 9 N -0.82 5.08 0.27 1.08 -1.09 -1.26 -0.19 121.20 124.27 3lqs s ILE 9 Ca 0.03 0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.80 3lqs s ILE 9 Cb -0.08 -3.89 -0.06 0.00 -1.58 0.00 0.00 42.46 36.85 3lqs s ILE 9 CO 0.01 -0.14 -0.09 0.68 -1.23 0.00 0.00 174.94 174.18 3lqs s VAL 10 N 2.24 1.76 0.40 2.92 -7.23 -0.24 -4.91 120.40 115.33 3lqs s VAL 10 Ca 0.16 -2.16 -0.27 0.00 -1.81 0.00 0.00 61.98 57.90 3lqs s VAL 10 Cb -0.16 -2.38 -0.10 0.00 0.56 0.00 0.00 36.38 34.30 3lqs s VAL 10 CO 0.12 -0.35 1.41 -0.54 -0.31 0.00 0.00 175.10 175.43 3lqs s LYS 11 N -3.69 3.98 0.35 4.82 1.02 -1.26 -0.18 119.74 124.78 3lqs s LYS 11 Ca 0.29 2.40 0.16 0.00 0.02 0.00 0.00 55.97 58.83 3lqs s LYS 11 Cb 0.02 -2.85 1.11 0.00 -0.52 0.00 0.00 37.83 35.59 3lqs s LYS 11 CO 0.12 -0.57 1.67 -0.44 -0.92 0.00 0.00 175.35 175.20 3lqs h ASP 12 N 2.78 0.50 0.69 2.83 3.32 -1.56 -1.17 116.42 123.82 3lqs h ASP 12 Ca -0.50 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3lqs h ASP 12 Cb 1.25 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.93 3lqs h ASP 12 CO 0.63 -0.12 0.00 -1.84 -1.72 0.00 0.00 179.24 176.19 3lqs n GLU 13 N -5.01 0.11 0.10 3.56 0.00 -1.26 -2.59 120.64 115.55 3lqs n GLU 13 Ca 0.32 0.32 0.12 0.00 0.00 0.00 0.00 57.16 57.92 3lqs n GLU 13 Cb 1.00 -1.70 0.17 0.00 0.00 0.00 0.00 31.44 30.92 3lqs n GLU 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3lqs h GLU 14 N 0.00 0.00 -6.30 3.44 4.39 -1.57 -3.46 114.58 111.08 3lqs h GLU 14 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 3lqs h GLU 14 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3lqs h GLU 14 CO 0.00 0.00 0.90 0.08 -1.16 0.00 0.00 179.01 178.83 3lqs s VAL 15 N -3.20 3.82 -0.27 3.13 1.01 -1.07 -5.01 120.40 118.82 3lqs s VAL 15 Ca 0.06 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3lqs s VAL 15 Cb 0.11 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.82 3lqs s VAL 15 CO 0.71 -0.04 -0.07 -0.54 0.00 0.00 0.00 175.10 175.15 3lqs s LYS 16 N 2.99 2.45 -0.17 2.72 1.02 -1.26 -5.11 119.74 122.37 3lqs s LYS 16 Ca 0.64 -1.23 -0.10 0.00 0.02 0.00 0.00 55.97 55.30 3lqs s LYS 16 Cb -0.30 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3lqs s LYS 16 CO 0.24 -0.54 0.17 0.42 -0.92 0.00 0.00 175.35 174.72 3lqs s ILE 17 N 1.20 5.40 0.28 2.17 1.01 -1.26 -5.09 121.20 124.91 3lqs s ILE 17 Ca -0.05 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.67 3lqs s ILE 17 Cb -0.19 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3lqs s ILE 17 CO -0.04 0.47 0.79 -0.62 0.00 0.00 0.00 174.94 175.53 3lqs s ASP 18 N 0.10 7.05 0.63 3.58 -1.08 -1.26 -4.96 116.67 120.73 3lqs s ASP 18 Ca 0.11 1.49 0.37 0.00 -0.52 0.00 0.00 52.55 54.00 3lqs s ASP 18 Cb -0.12 -2.45 2.12 0.00 -1.46 0.00 0.00 42.92 41.01 3lqs s ASP 18 CO 0.00 -0.06 2.31 0.07 0.52 0.00 0.00 175.17 178.02 3lqs h LYS 19 N 3.04 0.00 -0.57 4.34 2.10 -2.02 -1.63 116.57 121.83 3lqs h LYS 19 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3lqs h LYS 19 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3lqs h LYS 19 CO 0.65 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.49 3lqs n GLU 20 N -3.49 3.67 -1.70 0.07 1.02 -1.26 -4.63 120.64 114.32 3lqs n GLU 20 Ca -0.03 -2.83 -0.42 0.00 -0.02 0.00 0.00 57.16 53.85 3lqs n GLU 20 Cb 0.08 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 3lqs n GLU 20 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3lqs n ASP 21 N 0.82 4.00 0.19 1.62 -0.08 -0.62 -2.87 116.55 119.61 3lqs n ASP 21 Ca 0.24 1.02 0.14 0.00 -1.51 0.00 0.00 54.79 54.68 3lqs n ASP 21 Cb 0.88 -1.55 0.64 0.00 2.34 0.00 0.00 41.12 43.42 3lqs n ASP 21 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3lqs h ARG 22 N 7.74 0.00 -0.12 -0.67 3.08 -1.11 0.18 114.38 123.48 3lqs h ARG 22 Ca -0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 3lqs h ARG 22 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3lqs h ARG 22 CO 0.95 0.00 -0.27 0.78 -1.07 0.00 0.00 179.97 180.36 3lqs h GLY 23 N 1.43 0.24 1.55 0.04 0.00 -1.81 -1.57 103.07 102.96 3lqs h GLY 23 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 47.33 46.89 3lqs h GLY 23 CO 0.00 0.17 -1.31 -1.82 0.00 0.00 0.00 176.54 173.58 3lqs h TYR 24 N 0.20 0.06 0.00 5.60 3.20 -1.30 -2.84 116.97 121.90 3lqs h TYR 24 Ca 0.03 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 3lqs h TYR 24 Cb 0.59 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3lqs h TYR 24 CO 0.01 1.05 -1.92 1.04 -1.64 0.00 0.00 178.16 176.70 3lqs n GLN 25 N -3.26 0.66 0.00 1.82 6.02 -1.03 -4.67 117.38 116.92 3lqs n GLN 25 Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 3lqs n GLN 25 Cb 0.99 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.66 3lqs n GLN 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3lqs n PHE 26 N -2.52 0.00 -2.64 1.08 3.72 -0.66 -4.99 117.46 111.46 3lqs n PHE 26 Ca -0.12 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.08 3lqs n PHE 26 Cb 0.76 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.31 3lqs n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3lqs n GLY 27 N 0.20 -0.44 3.51 1.37 0.00 -1.07 -4.90 105.19 103.86 3lqs n GLY 27 Ca 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3lqs n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lqs s ASP 28 N -2.39 6.94 -0.04 1.61 2.15 -0.79 -4.00 116.67 120.15 3lqs s ASP 28 Ca 0.13 -2.69 -0.31 0.00 0.43 0.00 0.00 52.55 50.10 3lqs s ASP 28 Cb -0.06 -2.47 0.13 0.00 -0.30 0.00 0.00 42.92 40.22 3lqs s ASP 28 CO 0.16 -0.94 1.33 -0.83 -0.17 0.00 0.00 175.17 174.72 3lqs s GLY 29 N 3.44 -0.43 0.17 2.66 0.00 -1.26 -1.63 107.32 110.26 3lqs s GLY 29 Ca 0.46 0.75 0.01 0.00 0.00 0.00 0.00 44.72 45.94 3lqs s GLY 29 CO 0.02 0.34 0.01 -1.34 0.00 0.00 0.00 173.10 172.13 3lqs s VAL 30 N -2.30 0.60 0.24 1.40 -7.23 -0.24 -1.86 120.40 111.02 3lqs s VAL 30 Ca 0.15 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.21 3lqs s VAL 30 Cb 0.06 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.89 3lqs s VAL 30 CO -0.05 -0.48 0.49 -0.72 -0.31 0.00 0.00 175.10 174.04 3lqs s TYR 31 N -3.71 0.26 0.04 2.82 1.13 -0.87 -0.92 117.35 116.09 3lqs s TYR 31 Ca 0.24 -0.63 -0.06 0.00 -1.41 0.00 0.00 57.07 55.21 3lqs s TYR 31 Cb 0.06 0.24 -0.01 0.00 -1.10 0.00 0.00 41.96 41.16 3lqs s TYR 31 CO 0.04 -0.99 0.11 -1.21 -2.51 0.00 0.00 175.55 170.98 3lqs s GLU 32 N -3.99 0.60 -0.06 -3.49 0.41 0.04 -4.86 118.70 107.35 3lqs s GLU 32 Ca 0.20 -0.74 0.04 0.00 -0.41 0.00 0.00 54.97 54.05 3lqs s GLU 32 Cb -0.01 0.24 0.00 0.00 -1.78 0.00 0.00 34.13 32.58 3lqs s GLU 32 CO 0.07 -0.15 -0.16 0.08 -0.49 0.00 0.00 175.26 174.60 3lqs s VAL 33 N -2.62 1.42 -0.11 2.63 1.01 -1.26 -1.86 120.40 119.62 3lqs s VAL 33 Ca -0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3lqs s VAL 33 Cb -0.01 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3lqs s VAL 33 CO -0.05 0.41 -0.20 -0.69 0.00 0.00 0.00 175.10 174.58 3lqs s VAL 34 N 0.30 1.77 0.27 2.92 1.01 -0.29 -4.94 120.40 121.45 3lqs s VAL 34 Ca -0.10 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 3lqs s VAL 34 Cb -0.14 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 3lqs s VAL 34 CO 0.04 0.50 0.97 -0.75 0.00 0.00 0.00 175.10 175.85 3lqs s LYS 35 N 0.66 4.73 -0.14 2.72 2.47 -1.26 -0.67 119.74 128.25 3lqs s LYS 35 Ca -0.13 1.50 0.02 0.00 -1.56 0.00 0.00 55.97 55.81 3lqs s LYS 35 Cb -0.16 -3.12 0.01 0.00 -1.46 0.00 0.00 37.83 33.09 3lqs s LYS 35 CO 0.03 0.39 -0.21 0.08 0.16 0.00 0.00 175.35 175.80 3lqs s VAL 36 N -1.30 2.13 -0.21 4.02 1.01 -0.24 -0.80 120.40 125.01 3lqs s VAL 36 Ca 0.44 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3lqs s VAL 36 Cb -0.25 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3lqs s VAL 36 CO 0.31 0.55 -0.10 -0.31 0.00 0.00 0.00 175.10 175.55 3lqs s TYR 37 N 0.80 2.91 -1.44 5.22 2.02 0.78 -1.48 117.35 126.16 3lqs s TYR 37 Ca -0.07 -1.24 -0.06 0.00 -0.37 0.00 0.00 57.07 55.32 3lqs s TYR 37 Cb -0.16 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 3lqs s TYR 37 CO -0.01 -0.65 0.25 0.09 -1.57 0.00 0.00 175.55 173.65 3lqs n ASN 38 N 4.72 -0.43 0.00 2.29 3.02 -0.49 -1.35 115.26 123.03 3lqs n ASN 38 Ca -0.19 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 3lqs n ASN 38 Cb 0.50 -2.07 0.00 0.00 -0.61 0.00 0.00 39.78 37.60 3lqs n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lqs n GLY 39 N -2.31 1.95 3.50 7.41 0.00 0.13 -4.90 105.19 110.97 3lqs n GLY 39 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3lqs n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lqs s GLU 40 N -0.13 3.15 0.32 1.61 2.02 -0.46 -5.01 118.70 120.20 3lqs s GLU 40 Ca 0.00 -0.59 -0.27 0.00 0.02 0.00 0.00 54.97 54.14 3lqs s GLU 40 Cb 0.00 -2.68 -0.10 0.00 0.10 0.00 0.00 34.13 31.46 3lqs s GLU 40 CO 0.00 0.43 0.97 -1.64 0.02 0.00 0.00 175.26 175.04 3lqs s MET 41 N -0.18 4.57 -0.16 1.61 -1.94 -1.26 -0.16 119.30 121.78 3lqs s MET 41 Ca 0.02 1.42 -0.05 0.00 -1.71 0.00 0.00 55.69 55.37 3lqs s MET 41 Cb -0.13 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.81 3lqs s MET 41 CO 0.03 0.25 0.00 0.12 -0.01 0.00 0.00 175.02 175.40 3lqs s PHE 42 N -1.52 3.12 -1.67 -0.03 5.36 0.02 -4.61 117.98 118.65 3lqs s PHE 42 Ca 0.49 -0.13 -0.16 0.00 -0.96 0.00 0.00 56.93 56.17 3lqs s PHE 42 Cb -0.21 -1.99 0.14 0.00 -0.34 0.00 0.00 43.02 40.61 3lqs s PHE 42 CO 0.27 0.07 0.71 0.25 -1.46 0.00 0.00 175.22 175.06 3lqs n THR 43 N 3.44 -1.27 -0.16 0.12 -2.24 -1.26 -4.47 114.28 108.45 3lqs n THR 43 Ca -0.17 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.47 3lqs n THR 43 Cb 0.52 -1.75 0.13 0.00 -2.10 0.00 0.00 70.33 67.13 3lqs n THR 43 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3lqs h VAL 44 N -1.53 1.25 -0.66 2.28 3.04 -1.94 -2.71 116.25 115.98 3lqs h VAL 44 Ca -0.60 -0.96 0.01 0.00 -1.01 0.00 0.00 66.70 64.14 3lqs h VAL 44 Cb 1.38 0.73 -0.04 0.00 -2.01 0.00 0.00 31.29 31.36 3lqs h VAL 44 CO 0.76 0.35 0.43 0.78 -1.01 0.00 0.00 177.57 178.89 3lqs h ASN 45 N 0.86 0.73 -0.76 3.17 2.35 -1.98 0.40 115.58 120.36 3lqs h ASN 45 Ca 0.17 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3lqs h ASN 45 Cb 0.40 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3lqs h ASN 45 CO 0.01 0.52 0.38 -0.33 -1.65 0.00 0.00 177.43 176.37 3lqs h GLU 46 N 0.87 1.08 -0.45 0.81 3.07 -1.90 0.02 114.58 118.08 3lqs h GLU 46 Ca 0.25 -0.15 -0.13 0.00 -0.50 0.00 0.00 59.36 58.83 3lqs h GLU 46 Cb -0.07 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.63 3lqs h GLU 46 CO -0.07 0.83 -0.21 0.45 -1.40 0.00 0.00 179.01 178.61 3lqs h HIS 47 N 1.06 1.09 -0.58 4.33 3.86 -1.16 -1.58 115.15 122.17 3lqs h HIS 47 Ca 0.26 -0.27 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3lqs h HIS 47 Cb 0.09 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 3lqs h HIS 47 CO 0.01 1.08 0.19 0.82 0.86 0.00 0.00 177.93 180.88 3lqs h ILE 48 N 0.78 1.24 -0.93 2.45 2.04 -0.69 -0.41 117.51 122.00 3lqs h ILE 48 Ca 0.10 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3lqs h ILE 48 Cb 0.79 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3lqs h ILE 48 CO 0.07 0.30 0.60 0.44 0.00 0.00 0.00 178.15 179.56 3lqs h ASP 49 N 0.82 0.99 -0.17 1.72 3.32 -0.91 -1.83 116.42 120.35 3lqs h ASP 49 Ca 0.19 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 3lqs h ASP 49 Cb 0.27 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3lqs h ASP 49 CO -0.01 0.67 -0.49 -0.09 -1.72 0.00 0.00 179.24 177.60 3lqs h ARG 50 N 1.15 0.74 -0.22 3.56 2.43 -0.89 -1.56 114.38 119.59 3lqs h ARG 50 Ca 0.38 -0.44 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3lqs h ARG 50 Cb 0.04 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3lqs h ARG 50 CO -0.13 1.06 -0.02 1.25 -1.51 0.00 0.00 179.97 180.61 3lqs h LEU 51 N 0.59 -0.14 -1.00 3.80 5.85 -0.71 0.12 115.31 123.82 3lqs h LEU 51 Ca 0.03 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3lqs h LEU 51 Cb 1.06 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3lqs h LEU 51 CO 0.10 -0.04 0.04 1.88 -0.34 0.00 0.00 178.44 180.09 3lqs h TYR 52 N 0.04 0.80 -0.16 1.25 -1.99 -1.21 -1.22 116.97 114.48 3lqs h TYR 52 Ca 0.11 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3lqs h TYR 52 Cb 0.15 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 3lqs h TYR 52 CO -0.21 0.72 0.04 0.00 -0.00 0.00 0.00 178.16 178.72 3lqs h ALA 53 N 1.32 0.21 -0.47 3.88 0.00 -0.86 0.19 119.26 123.53 3lqs h ALA 53 Ca 0.15 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3lqs h ALA 53 Cb 0.38 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3lqs h ALA 53 CO 0.01 -0.16 0.26 0.77 0.00 0.00 0.00 179.25 180.13 3lqs h SER 54 N 0.06 0.40 -0.28 0.00 0.02 -0.63 -0.97 113.55 112.16 3lqs h SER 54 Ca 0.05 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3lqs h SER 54 Cb 0.25 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3lqs h SER 54 CO 0.00 0.28 0.13 0.00 -1.14 0.00 0.00 176.83 176.11 3lqs h ALA 55 N 1.23 0.33 -0.75 3.77 0.00 -1.12 -2.52 119.26 120.21 3lqs h ALA 55 Ca 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3lqs h ALA 55 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3lqs h ALA 55 CO -0.11 -0.26 0.38 1.49 0.00 0.00 0.00 179.25 180.75 3lqs h GLU 56 N 0.28 1.05 -0.05 0.00 4.81 -0.69 -0.29 114.58 119.69 3lqs h GLU 56 Ca 0.12 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3lqs h GLU 56 Cb 0.05 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3lqs h GLU 56 CO -0.09 0.80 0.06 0.87 -0.73 0.00 0.00 179.01 179.91 3lqs h LYS 57 N 1.05 0.00 -0.11 1.92 1.57 -0.73 -0.65 116.57 119.62 3lqs h LYS 57 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3lqs h LYS 57 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3lqs h LYS 57 CO -0.04 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.28 3lqs n ILE 58 N -3.77 1.98 -3.70 1.86 -5.35 -0.88 -5.00 119.36 104.50 3lqs n ILE 58 Ca -0.02 -2.02 -0.25 0.00 -0.27 0.00 0.00 62.75 60.19 3lqs n ILE 58 Cb 0.15 -0.19 0.06 0.00 -1.74 0.00 0.00 39.64 37.92 3lqs n ILE 58 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3lqs n ARG 59 N -0.97 -6.92 -3.53 6.28 1.74 -0.25 -5.00 116.66 108.00 3lqs n ARG 59 Ca 0.17 0.74 -0.37 0.00 -0.77 0.00 0.00 57.85 57.63 3lqs n ARG 59 Cb 0.71 -5.72 -0.07 0.00 -1.02 0.00 0.00 32.46 26.37 3lqs n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3lqs s ILE 60 N -3.33 5.28 -0.34 0.55 1.01 -0.24 -5.00 121.20 119.12 3lqs s ILE 60 Ca 0.54 0.60 -0.13 0.00 0.00 0.00 0.00 60.65 61.66 3lqs s ILE 60 Cb -0.25 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3lqs s ILE 60 CO 0.77 0.42 0.24 -0.89 0.00 0.00 0.00 174.94 175.47 3lqs s THR 61 N 0.23 5.23 0.02 2.92 2.01 -1.26 -4.01 115.64 120.78 3lqs s THR 61 Ca 0.18 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3lqs s THR 61 Cb -0.13 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3lqs s THR 61 CO 0.05 -0.02 1.30 -0.63 -0.69 0.00 0.00 174.62 174.63 3lqs s ILE 62 N 1.71 3.85 -2.00 1.82 1.01 -1.26 -4.78 121.20 121.55 3lqs s ILE 62 Ca 0.06 1.27 0.03 0.00 0.00 0.00 0.00 60.65 62.01 3lqs s ILE 62 Cb -0.17 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.56 3lqs s ILE 62 CO 0.10 0.04 0.93 -0.81 0.00 0.00 0.00 174.94 175.20 3lqs n PRO 63 N 4.73 0.81 -4.10 2.79 -0.04 -1.26 -4.80 135.00 133.13 3lqs n PRO 63 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 3lqs n PRO 63 Cb 0.45 -1.05 -0.11 0.00 -0.04 0.00 0.00 33.50 32.75 3lqs n PRO 63 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3lqs s TYR 64 N -2.00 0.70 0.73 0.54 2.02 -1.26 -5.16 117.35 112.93 3lqs s TYR 64 Ca 0.04 -0.76 -0.11 0.00 -0.37 0.00 0.00 57.07 55.87 3lqs s TYR 64 Cb 0.02 -0.43 0.03 0.00 -0.40 0.00 0.00 41.96 41.18 3lqs s TYR 64 CO 0.03 -0.16 1.08 0.95 -1.57 0.00 0.00 175.55 175.88 3lqs s THR 65 N -2.70 3.55 0.43 -0.71 -4.23 -1.26 -4.86 115.64 105.86 3lqs s THR 65 Ca 0.01 0.53 0.12 0.00 -1.18 0.00 0.00 61.69 61.17 3lqs s THR 65 Cb -0.01 -3.09 0.30 0.00 1.34 0.00 0.00 72.50 71.04 3lqs s THR 65 CO -0.03 -0.63 2.02 0.11 -0.54 0.00 0.00 174.62 175.55 3lqs h LYS 66 N -0.84 0.41 -0.35 3.99 1.57 -1.99 -1.76 116.57 117.61 3lqs h LYS 66 Ca -0.44 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 3lqs h LYS 66 Cb 1.23 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3lqs h LYS 66 CO 0.53 0.27 0.11 -0.44 -0.57 0.00 0.00 179.45 179.36 3lqs h ASP 67 N 0.42 0.51 -0.44 0.86 3.32 -1.99 -1.09 116.42 118.01 3lqs h ASP 67 Ca 0.21 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3lqs h ASP 67 Cb 0.31 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3lqs h ASP 67 CO -0.05 0.58 0.21 0.50 -1.72 0.00 0.00 179.24 178.75 3lqs h LYS 68 N 0.41 0.62 -0.34 3.56 1.63 -1.80 -1.59 116.57 119.08 3lqs h LYS 68 Ca 0.11 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3lqs h LYS 68 Cb 0.25 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 3lqs h LYS 68 CO -0.00 0.53 0.17 0.35 -3.45 0.00 0.00 179.45 177.05 3lqs h PHE 69 N 0.56 0.32 -0.65 1.91 3.04 -1.18 -0.37 116.94 120.57 3lqs h PHE 69 Ca 0.15 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.14 3lqs h PHE 69 Cb 0.11 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 3lqs h PHE 69 CO -0.01 0.18 0.41 1.25 -2.02 0.00 0.00 178.31 178.11 3lqs h HIS 70 N 0.36 0.76 -0.33 0.41 2.76 -1.02 -1.50 115.15 116.59 3lqs h HIS 70 Ca 0.14 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 3lqs h HIS 70 Cb 0.04 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 3lqs h HIS 70 CO -0.09 0.43 0.19 0.37 -1.30 0.00 0.00 177.93 177.53 3lqs h GLN 71 N 0.79 0.38 -0.56 5.26 4.15 -0.84 -1.35 115.11 122.95 3lqs h GLN 71 Ca 0.26 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 3lqs h GLN 71 Cb 0.02 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3lqs h GLN 71 CO -0.11 0.25 0.14 -0.07 -1.93 0.00 0.00 178.83 177.11 3lqs h LEU 72 N 0.39 0.80 -0.39 -2.39 3.38 -0.58 -2.12 115.31 114.39 3lqs h LEU 72 Ca 0.13 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3lqs h LEU 72 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3lqs h LEU 72 CO -0.07 0.78 0.00 -0.07 0.09 0.00 0.00 178.44 179.18 3lqs h LEU 73 N 0.82 0.68 -0.41 1.67 3.38 -0.85 -0.26 115.31 120.34 3lqs h LEU 73 Ca 0.18 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3lqs h LEU 73 Cb 0.30 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3lqs h LEU 73 CO -0.00 0.82 -0.10 0.45 0.09 0.00 0.00 178.44 179.70 3lqs h HIS 74 N 0.52 -0.21 -0.70 1.13 3.86 -1.09 -1.08 115.15 117.58 3lqs h HIS 74 Ca 0.11 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 3lqs h HIS 74 Cb 0.47 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 3lqs h HIS 74 CO 0.04 -0.17 0.15 1.49 0.86 0.00 0.00 177.93 180.30 3lqs h GLU 75 N 0.00 1.13 -0.40 2.45 4.81 -1.17 -1.70 114.58 119.70 3lqs h GLU 75 Ca 0.20 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3lqs h GLU 75 Cb 0.30 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3lqs h GLU 75 CO -0.42 1.00 0.21 1.25 -0.73 0.00 0.00 179.01 180.32 3lqs h LEU 76 N 1.06 0.31 -0.57 1.64 5.85 -0.54 0.26 115.31 123.33 3lqs h LEU 76 Ca 0.22 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3lqs h LEU 76 Cb 0.39 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3lqs h LEU 76 CO 0.01 0.23 0.34 0.58 -0.34 0.00 0.00 178.44 179.25 3lqs h VAL 77 N 0.42 1.17 -0.16 1.05 2.07 -0.92 -2.44 116.25 117.44 3lqs h VAL 77 Ca 0.17 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3lqs h VAL 77 Cb 0.06 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3lqs h VAL 77 CO -0.11 0.17 0.02 -0.33 0.02 0.00 0.00 177.57 177.35 3lqs h GLU 78 N 0.77 0.27 -0.70 1.57 4.39 -0.97 -1.80 114.58 118.10 3lqs h GLU 78 Ca 0.20 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 3lqs h GLU 78 Cb -0.02 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3lqs h GLU 78 CO -0.04 0.45 0.42 0.87 -1.16 0.00 0.00 179.01 179.56 3lqs h LYS 79 N 0.05 0.95 -0.00 2.33 1.79 -0.93 -1.43 116.57 119.33 3lqs h LYS 79 Ca 0.05 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3lqs h LYS 79 Cb 0.31 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3lqs h LYS 79 CO 0.00 0.67 -0.17 0.09 -1.08 0.00 0.00 179.45 178.96 3lqs n ASN 80 N -4.39 0.45 -3.90 0.86 3.02 -0.92 -4.88 115.26 105.49 3lqs n ASN 80 Ca 0.07 -0.38 -0.26 0.00 -0.03 0.00 0.00 54.58 53.99 3lqs n ASN 80 Cb 0.07 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3lqs n ASN 80 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3lqs n GLU 81 N -1.11 -4.04 -2.36 3.52 1.02 -0.54 -4.90 120.64 112.23 3lqs n GLU 81 Ca 0.12 0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 57.32 3lqs n GLU 81 Cb 0.30 -4.90 -0.03 0.00 -0.02 0.00 0.00 31.44 26.79 3lqs n GLU 81 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3lqs s LEU 82 N -6.96 4.29 0.00 -4.62 2.96 -0.87 -4.95 118.68 108.53 3lqs s LEU 82 Ca 0.17 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 56.01 3lqs s LEU 82 Cb -0.09 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3lqs s LEU 82 CO 0.86 -0.66 0.00 -3.20 -1.32 0.00 0.00 176.35 172.04 3lqs n ASN 83 N 5.40 0.00 -4.03 3.68 4.05 -1.26 -3.71 115.26 119.39 3lqs n ASN 83 Ca 0.12 0.01 -0.30 0.00 0.45 0.00 0.00 54.58 54.86 3lqs n ASN 83 Cb 0.45 -0.03 -0.16 0.00 1.23 0.00 0.00 39.78 41.27 3lqs n ASN 83 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3lqs s THR 84 N -0.05 1.60 -0.02 -0.44 2.01 -1.26 0.22 115.64 117.69 3lqs s THR 84 Ca 0.00 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3lqs s THR 84 Cb 0.00 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.02 3lqs s THR 84 CO 0.00 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 3lqs n GLY 85 N 4.67 -0.91 3.25 4.40 0.00 -0.55 -1.41 105.19 114.64 3lqs n GLY 85 Ca -0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 3lqs n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3lqs s HIS 86 N -4.00 -0.06 -0.17 1.61 -3.43 -0.22 -1.08 115.29 107.94 3lqs s HIS 86 Ca 0.00 -0.20 -0.07 0.00 -0.80 0.00 0.00 55.06 53.99 3lqs s HIS 86 Cb 0.00 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 3lqs s HIS 86 CO 0.00 -0.56 0.06 0.42 -2.00 0.00 0.00 174.74 172.66 3lqs s ILE 87 N -3.19 4.78 -0.14 -5.38 1.01 0.15 -1.38 121.20 117.06 3lqs s ILE 87 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 3lqs s ILE 87 Cb 0.01 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3lqs s ILE 87 CO -0.07 0.48 0.04 -0.47 0.00 0.00 0.00 174.94 174.92 3lqs s TYR 88 N 0.19 3.23 -0.04 3.97 5.04 -0.09 -1.13 117.35 128.52 3lqs s TYR 88 Ca 0.04 0.11 -0.07 0.00 -2.44 0.00 0.00 57.07 54.71 3lqs s TYR 88 Cb -0.12 -1.96 0.01 0.00 0.35 0.00 0.00 41.96 40.24 3lqs s TYR 88 CO 0.00 0.29 0.16 -0.59 -1.34 0.00 0.00 175.55 174.08 3lqs s PHE 89 N -0.16 -0.09 0.05 4.97 -0.71 -0.77 -0.63 117.98 120.63 3lqs s PHE 89 Ca 0.06 0.21 -0.01 0.00 -1.04 0.00 0.00 56.93 56.15 3lqs s PHE 89 Cb -0.12 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 3lqs s PHE 89 CO 0.02 -0.19 -0.03 1.14 -1.34 0.00 0.00 175.22 174.82 3lqs s GLN 90 N -0.58 0.58 -0.05 1.99 -2.07 0.72 -0.78 119.66 119.45 3lqs s GLN 90 Ca -0.07 -1.14 0.01 0.00 -1.82 0.00 0.00 55.36 52.35 3lqs s GLN 90 Cb -0.04 0.17 0.02 0.00 -1.09 0.00 0.00 33.01 32.07 3lqs s GLN 90 CO 0.01 -0.10 -0.06 0.08 -1.32 0.00 0.00 175.29 173.91 3lqs s VAL 91 N -3.53 0.66 0.32 3.63 1.01 -0.10 -2.03 120.40 120.36 3lqs s VAL 91 Ca 0.04 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.93 3lqs s VAL 91 Cb 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3lqs s VAL 91 CO -0.08 0.26 0.10 0.42 0.00 0.00 0.00 175.10 175.79 3lqs s THR 92 N 1.01 3.10 0.54 3.92 -4.23 -0.09 -1.07 115.64 118.81 3lqs s THR 92 Ca -0.09 -1.76 0.36 0.00 -1.18 0.00 0.00 61.69 59.01 3lqs s THR 92 Cb -0.14 -2.94 0.38 0.00 1.34 0.00 0.00 72.50 71.14 3lqs s THR 92 CO -0.00 -0.23 2.24 -0.09 -0.54 0.00 0.00 174.62 176.00 3lqs h ARG 93 N 1.65 0.00 0.00 3.99 2.43 -1.64 -2.60 114.38 118.21 3lqs h ARG 93 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3lqs h ARG 93 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3lqs h ARG 93 CO 0.63 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 179.53 3lqs n GLY 94 N -0.97 0.35 3.52 2.80 0.00 -1.26 -3.80 105.19 105.84 3lqs n GLY 94 Ca -0.02 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 3lqs n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lqs s THR 95 N -0.36 4.18 -0.09 2.61 2.01 -1.26 -0.47 115.64 122.27 3lqs s THR 95 Ca 0.00 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 3lqs s THR 95 Cb 0.00 -2.87 0.07 0.00 0.01 0.00 0.00 72.50 69.71 3lqs s THR 95 CO 0.00 0.46 0.69 -0.55 -0.69 0.00 0.00 174.62 174.53 3lqs s SER 96 N 0.62 -0.67 0.29 3.53 0.15 -1.14 -4.93 113.70 111.55 3lqs s SER 96 Ca -0.00 0.85 -0.29 0.00 0.70 0.00 0.00 55.95 57.22 3lqs s SER 96 Cb -0.14 0.71 -0.13 0.00 -1.71 0.00 0.00 66.02 64.75 3lqs s SER 96 CO 0.02 -0.54 1.19 -2.65 1.20 0.00 0.00 173.24 172.46 3lqs n PRO 97 N 1.25 1.74 -1.68 5.44 -0.02 -1.26 -4.75 135.00 135.71 3lqs n PRO 97 Ca -0.18 0.61 -0.48 0.00 -2.02 0.00 0.00 63.50 61.43 3lqs n PRO 97 Cb 0.57 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 3lqs n PRO 97 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3lqs n ARG 98 N 0.95 2.20 -3.63 -0.52 0.63 -1.26 -4.96 116.66 110.05 3lqs n ARG 98 Ca 0.08 0.80 -0.11 0.00 -0.92 0.00 0.00 57.85 57.71 3lqs n ARG 98 Cb 0.33 -2.67 -0.07 0.00 0.45 0.00 0.00 32.46 30.50 3lqs n ARG 98 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3lqs s ALA 99 N 4.20 -1.90 0.15 5.13 0.00 -1.26 -5.08 121.76 123.01 3lqs s ALA 99 Ca 0.93 1.99 -0.16 0.00 0.00 0.00 0.00 51.96 54.72 3lqs s ALA 99 Cb -0.68 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.15 3lqs s ALA 99 CO 0.51 -0.30 1.77 0.45 0.00 0.00 0.00 175.76 178.19 3lqs h HIS 100 N 4.81 0.29 -4.15 0.00 3.86 -2.02 -3.44 115.15 114.49 3lqs h HIS 100 Ca -0.29 0.02 -0.50 0.00 -1.16 0.00 0.00 60.37 58.44 3lqs h HIS 100 Cb 1.17 -0.08 0.16 0.00 1.06 0.00 0.00 27.41 29.72 3lqs h HIS 100 CO 0.32 0.14 0.25 1.14 0.86 0.00 0.00 177.93 180.65 3lqs s GLN 101 N -6.16 1.41 0.50 2.45 0.00 -1.26 -4.94 119.66 111.66 3lqs s GLN 101 Ca -0.13 1.12 -0.23 0.00 -0.00 0.00 0.00 55.36 56.12 3lqs s GLN 101 Cb 0.12 -1.80 -0.06 0.00 0.00 0.00 0.00 33.01 31.26 3lqs s GLN 101 CO 0.71 -2.22 1.38 -0.06 0.00 0.00 0.00 175.29 175.10 3lqs s PHE 102 N -2.82 2.40 0.80 9.60 0.08 -1.26 -5.02 117.98 121.76 3lqs s PHE 102 Ca 0.64 1.33 -0.14 0.00 0.12 0.00 0.00 56.93 58.89 3lqs s PHE 102 Cb -0.19 -3.83 0.19 0.00 -0.57 0.00 0.00 43.02 38.61 3lqs s PHE 102 CO 0.57 -2.84 0.99 -0.35 -0.10 0.00 0.00 175.22 173.50 3lqs n PRO 103 N -0.62 -1.38 -1.89 0.24 -0.05 -1.26 -5.03 135.00 125.01 3lqs n PRO 103 Ca 0.08 -1.54 -0.34 0.00 -0.05 0.00 0.00 63.50 61.65 3lqs n PRO 103 Cb 0.44 -1.11 0.03 0.00 -0.05 0.00 0.00 33.50 32.81 3lqs n PRO 103 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3lqs s GLU 104 N -5.18 2.95 0.00 0.54 0.41 -1.26 -4.88 118.70 111.28 3lqs s GLU 104 Ca 0.58 1.44 0.06 0.00 -0.41 0.00 0.00 54.97 56.64 3lqs s GLU 104 Cb -0.02 -1.97 0.36 0.00 -1.78 0.00 0.00 34.13 30.72 3lqs s GLU 104 CO 0.41 -1.14 0.78 0.09 -0.49 0.00 0.00 175.26 174.91 3lqs n ASN 105 N -2.13 0.00 0.19 -0.19 3.02 -1.26 -1.18 115.26 113.72 3lqs n ASN 105 Ca 0.11 -0.64 0.12 0.00 -0.03 0.00 0.00 54.58 54.14 3lqs n ASN 105 Cb 0.52 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.92 3lqs n ASN 105 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3lqs h THR 106 N 0.00 0.00 -3.29 3.41 2.02 -2.03 -3.45 112.91 109.58 3lqs h THR 106 Ca 0.00 -0.87 -0.58 0.00 0.77 0.00 0.00 66.41 65.73 3lqs h THR 106 Cb 0.00 1.87 -0.08 0.00 -1.74 0.00 0.00 68.15 68.20 3lqs h THR 106 CO 0.00 0.00 0.68 -0.69 0.37 0.00 0.00 175.52 175.88 3lqs s VAL 107 N -3.18 4.66 0.11 3.16 1.01 -0.32 -5.03 120.40 120.80 3lqs s VAL 107 Ca 0.08 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 3lqs s VAL 107 Cb 0.07 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3lqs s VAL 107 CO 0.65 -0.31 1.07 -0.54 0.00 0.00 0.00 175.10 175.98 3lqs s LYS 108 N 3.28 4.58 0.74 2.72 3.01 -1.26 -4.93 119.74 127.88 3lqs s LYS 108 Ca 0.41 1.62 -0.15 0.00 -1.01 0.00 0.00 55.97 56.83 3lqs s LYS 108 Cb -0.14 -3.34 0.04 0.00 -1.01 0.00 0.00 37.83 33.38 3lqs s LYS 108 CO 0.12 0.01 1.22 -2.30 0.51 0.00 0.00 175.35 174.91 3lqs n PRO 109 N 3.06 0.57 -3.99 -1.68 -0.02 -1.25 -4.31 135.00 127.38 3lqs n PRO 109 Ca 0.05 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 3lqs n PRO 109 Cb 0.48 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 3lqs n PRO 109 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3lqs s VAL 110 N -1.81 4.66 -0.11 -1.45 1.01 -0.98 -4.86 120.40 116.86 3lqs s VAL 110 Ca 0.77 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.70 3lqs s VAL 110 Cb -0.33 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 3lqs s VAL 110 CO 0.47 0.44 -0.18 -0.63 0.00 0.00 0.00 175.10 175.19 3lqs s ILE 111 N 0.59 2.59 -0.04 2.22 1.01 -1.26 -0.91 121.20 125.40 3lqs s ILE 111 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3lqs s ILE 111 Cb -0.13 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.32 3lqs s ILE 111 CO 0.01 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 174.80 3lqs s ILE 112 N 0.26 0.69 -0.00 2.92 -1.09 -0.86 -0.04 121.20 123.07 3lqs s ILE 112 Ca -0.13 -0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.03 3lqs s ILE 112 Cb -0.16 -0.67 -0.00 0.00 -1.58 0.00 0.00 42.46 40.04 3lqs s ILE 112 CO 0.07 0.25 0.04 -0.83 -1.23 0.00 0.00 174.94 173.23 3lqs s GLY 113 N 0.69 0.06 0.28 6.18 0.00 -0.36 -0.20 107.32 113.97 3lqs s GLY 113 Ca -0.10 -0.14 -0.13 0.00 0.00 0.00 0.00 44.72 44.34 3lqs s GLY 113 CO 0.01 -0.19 0.55 -2.52 0.00 0.00 0.00 173.10 170.96 3lqs s TYR 114 N -0.65 0.32 0.29 1.90 1.13 0.20 -0.74 117.35 119.79 3lqs s TYR 114 Ca -0.07 -0.71 0.10 0.00 -1.41 0.00 0.00 57.07 54.98 3lqs s TYR 114 Cb -0.05 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 41.09 3lqs s TYR 114 CO -0.00 -1.11 -0.05 0.95 -2.51 0.00 0.00 175.55 172.82 3lqs s THR 115 N -3.72 2.94 -0.06 -3.49 -4.23 -1.26 -0.92 115.64 104.90 3lqs s THR 115 Ca 0.21 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 3lqs s THR 115 Cb -0.02 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.17 3lqs s THR 115 CO 0.10 -0.33 0.15 -0.75 -0.54 0.00 0.00 174.62 173.25 3lqs s LYS 116 N -3.64 0.14 0.06 3.99 2.20 -0.48 -4.97 119.74 117.04 3lqs s LYS 116 Ca 0.32 0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.93 3lqs s LYS 116 Cb -0.04 -0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 36.16 3lqs s LYS 116 CO 0.18 -0.10 1.22 -1.21 -0.36 0.00 0.00 175.35 175.09 3lqs s GLU 117 N 0.69 4.41 -0.29 4.03 2.02 -1.26 -1.06 118.70 127.24 3lqs s GLU 117 Ca -0.05 1.80 -0.03 0.00 0.02 0.00 0.00 54.97 56.71 3lqs s GLU 117 Cb -0.07 -3.36 0.17 0.00 0.10 0.00 0.00 34.13 30.98 3lqs s GLU 117 CO -0.03 -0.29 0.56 1.21 0.02 0.00 0.00 175.26 176.72 3lqs s ASN 118 N 1.11 -1.01 0.91 -0.19 2.47 -0.50 -4.92 114.94 112.81 3lqs s ASN 118 Ca 0.59 0.84 -0.11 0.00 0.42 0.00 0.00 52.86 54.59 3lqs s ASN 118 Cb -0.30 1.96 0.14 0.00 -1.45 0.00 0.00 41.25 41.60 3lqs s ASN 118 CO 0.29 -0.26 1.09 -2.16 -3.72 0.00 0.00 177.10 172.34 3lqs s PRO 119 N 2.80 1.12 0.36 0.43 0.04 -1.26 -3.52 135.00 134.96 3lqs s PRO 119 Ca 0.16 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 3lqs s PRO 119 Cb -0.15 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 3lqs s PRO 119 CO -0.19 -2.38 1.45 0.54 0.04 0.00 0.00 177.00 176.45 3lqs n ARG 120 N -4.00 2.55 -1.70 4.56 1.74 -1.26 -4.88 116.66 113.67 3lqs n ARG 120 Ca 0.08 0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 57.63 3lqs n ARG 120 Cb 0.54 -2.60 -0.00 0.00 -1.02 0.00 0.00 32.46 29.38 3lqs n ARG 120 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3lqs n PRO 121 N 0.60 2.84 -0.07 5.56 -0.04 -1.26 -4.82 135.00 137.82 3lqs n PRO 121 Ca 0.03 -2.56 -0.09 0.00 -0.04 0.00 0.00 63.50 60.83 3lqs n PRO 121 Cb 0.38 -3.26 -0.03 0.00 -0.04 0.00 0.00 33.50 30.55 3lqs n PRO 121 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3lqs h LEU 122 N 9.99 -1.12 -0.35 1.53 3.38 -1.99 -1.73 115.31 125.02 3lqs h LEU 122 Ca 0.58 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.78 3lqs h LEU 122 Cb 0.63 0.50 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 3lqs h LEU 122 CO 1.89 -0.35 0.08 -0.08 0.09 0.00 0.00 178.44 180.07 3lqs h GLU 123 N -0.33 0.20 -0.56 1.13 4.81 -2.00 -2.12 114.58 115.72 3lqs h GLU 123 Ca 0.14 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3lqs h GLU 123 Cb 0.55 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3lqs h GLU 123 CO -0.47 0.13 0.22 -0.91 -0.73 0.00 0.00 179.01 177.25 3lqs h ASN 124 N 0.21 0.77 -0.60 1.04 -0.26 -1.77 0.90 115.58 115.88 3lqs h ASN 124 Ca 0.16 -0.17 0.03 0.00 -0.56 0.00 0.00 56.30 55.77 3lqs h ASN 124 Cb 0.17 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.20 3lqs h ASN 124 CO -0.20 0.73 0.40 -0.07 -1.06 0.00 0.00 177.43 177.22 3lqs h LEU 125 N 0.77 0.60 0.03 1.61 3.38 -1.04 -0.10 115.31 120.55 3lqs h LEU 125 Ca 0.19 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 3lqs h LEU 125 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3lqs h LEU 125 CO -0.02 0.42 -0.75 -0.08 0.09 0.00 0.00 178.44 178.11 3lqs h GLU 126 N 0.70 0.06 0.00 1.13 4.81 -0.94 -3.41 114.58 116.93 3lqs h GLU 126 Ca 0.24 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3lqs h GLU 126 Cb 0.09 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3lqs h GLU 126 CO -0.07 1.05 -1.35 1.63 -0.73 0.00 0.00 179.01 179.54 3lqs n LYS 127 N -4.40 0.57 -0.14 1.92 4.76 0.27 -4.87 118.16 116.27 3lqs n LYS 127 Ca -0.21 -0.01 0.02 0.00 -2.87 0.00 0.00 58.31 55.24 3lqs n LYS 127 Cb 0.64 -1.68 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 3lqs n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3lqs n GLY 128 N 1.24 -2.17 3.40 0.72 0.00 -0.05 -4.79 105.19 103.53 3lqs n GLY 128 Ca -0.01 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 3lqs n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lqs s VAL 129 N -2.36 1.17 0.14 1.61 -7.23 0.70 -4.81 120.40 109.62 3lqs s VAL 129 Ca 0.00 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 3lqs s VAL 129 Cb 0.00 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 3lqs s VAL 129 CO 0.00 -0.14 0.49 -0.54 -0.31 0.00 0.00 175.10 174.60 3lqs s LYS 130 N -3.87 3.84 0.28 4.82 1.02 -1.26 -0.96 119.74 123.60 3lqs s LYS 130 Ca 0.33 0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.63 3lqs s LYS 130 Cb 0.07 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 3lqs s LYS 130 CO 0.13 0.47 0.09 0.00 -0.92 0.00 0.00 175.35 175.11 3lqs s ALA 131 N -1.54 1.93 0.02 5.17 0.00 -0.27 -0.47 121.76 126.60 3lqs s ALA 131 Ca 0.39 -1.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 3lqs s ALA 131 Cb -0.13 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3lqs s ALA 131 CO 0.20 -0.41 -0.01 -0.08 0.00 0.00 0.00 175.76 175.45 3lqs s THR 132 N -3.61 0.10 0.10 0.00 -1.32 -0.96 -1.59 115.64 108.36 3lqs s THR 132 Ca 0.37 -0.79 -0.26 0.00 -1.21 0.00 0.00 61.69 59.81 3lqs s THR 132 Cb 0.08 -0.25 -0.07 0.00 -1.51 0.00 0.00 72.50 70.76 3lqs s THR 132 CO 0.14 -0.43 0.79 -0.36 -2.21 0.00 0.00 174.62 172.55 3lqs s PHE 133 N -1.28 3.82 -0.02 9.09 0.08 -1.26 0.03 117.98 128.44 3lqs s PHE 133 Ca -0.14 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.49 3lqs s PHE 133 Cb -0.09 -2.82 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 3lqs s PHE 133 CO -0.01 0.37 0.00 0.08 -0.10 0.00 0.00 175.22 175.57 3lqs s VAL 134 N -0.53 0.10 0.30 -0.44 1.01 -0.45 -4.89 120.40 115.50 3lqs s VAL 134 Ca 0.38 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3lqs s VAL 134 Cb -0.22 -0.17 -0.10 0.00 0.00 0.00 0.00 36.38 35.88 3lqs s VAL 134 CO 0.25 0.10 1.43 -0.70 0.00 0.00 0.00 175.10 176.18 3lqs s GLU 135 N 0.71 4.24 -0.50 2.72 2.12 -1.26 -2.19 118.70 124.54 3lqs s GLU 135 Ca -0.07 2.37 -0.26 0.00 0.36 0.00 0.00 54.97 57.37 3lqs s GLU 135 Cb -0.10 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.27 3lqs s GLU 135 CO -0.02 -0.40 1.01 0.34 -0.54 0.00 0.00 175.26 175.65 3lqs s ASP 136 N 0.03 6.48 -0.10 -1.70 -1.08 0.12 -4.76 116.67 115.67 3lqs s ASP 136 Ca 0.55 0.08 0.14 0.00 -0.52 0.00 0.00 52.55 52.80 3lqs s ASP 136 Cb -0.43 -2.48 0.44 0.00 -1.46 0.00 0.00 42.92 38.99 3lqs s ASP 136 CO 0.51 -1.20 1.36 2.30 0.52 0.00 0.00 175.17 178.66 3lqs n ILE 137 N 6.49 1.71 -1.55 4.11 -5.35 -1.26 -4.75 119.36 118.77 3lqs n ILE 137 Ca 0.07 -1.47 -0.29 0.00 -0.27 0.00 0.00 62.75 60.79 3lqs n ILE 137 Cb 0.48 0.09 0.12 0.00 -1.74 0.00 0.00 39.64 38.60 3lqs n ILE 137 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3lqs s ARG 138 N -1.99 1.37 1.25 6.28 0.52 -1.26 -5.01 118.95 120.10 3lqs s ARG 138 Ca 0.34 0.36 -0.18 0.00 -0.52 0.00 0.00 55.73 55.74 3lqs s ARG 138 Cb 0.24 -1.86 0.31 0.00 0.52 0.00 0.00 34.95 34.16 3lqs s ARG 138 CO 0.12 -2.06 1.01 1.67 0.02 0.00 0.00 175.30 176.07 3lqs s TRP 139 N -3.26 0.55 -0.81 -0.53 1.48 -1.26 -4.95 118.94 110.16 3lqs s TRP 139 Ca 0.63 0.79 0.15 0.00 -1.06 0.00 0.00 56.10 56.60 3lqs s TRP 139 Cb -0.15 -3.11 0.70 0.00 -1.16 0.00 0.00 33.47 29.75 3lqs s TRP 139 CO 0.53 -4.19 1.59 1.28 -4.06 0.00 0.00 176.95 172.10 3lqs n LEU 140 N -5.08 4.79 -2.81 -4.66 4.77 -1.26 -4.17 117.00 108.58 3lqs n LEU 140 Ca 0.09 -2.42 -0.27 0.00 -0.03 0.00 0.00 56.01 53.38 3lqs n LEU 140 Cb 0.58 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3lqs n LEU 140 CO 0.50 0.68 0.15 0.54 -1.33 0.00 0.00 177.39 177.93 3lqs n ARG 141 N 0.83 3.23 0.00 3.23 5.12 -1.26 -4.72 116.66 123.09 3lqs n ARG 141 Ca 0.24 -4.72 0.08 0.00 -1.93 0.00 0.00 57.85 51.52 3lqs n ARG 141 Cb 0.95 -2.22 0.37 0.00 -1.16 0.00 0.00 32.46 30.40 3lqs n ARG 141 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3lqs h ASP 143 N 0.00 0.00 -3.35 0.00 2.03 -1.56 -2.89 116.42 110.65 3lqs h ASP 143 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3lqs h ASP 143 Cb 0.23 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.66 3lqs h ASP 143 CO 0.00 0.00 -0.02 -0.63 -1.03 0.00 0.00 179.24 177.56 3lqs s ILE 144 N -3.58 5.11 -1.27 4.15 1.01 -0.96 -4.72 121.20 120.94 3lqs s ILE 144 Ca 0.02 1.18 -0.13 0.00 0.00 0.00 0.00 60.65 61.72 3lqs s ILE 144 Cb 0.09 -3.92 0.14 0.00 0.01 0.00 0.00 42.46 38.78 3lqs s ILE 144 CO 0.54 0.28 1.69 1.17 0.00 0.00 0.00 174.94 178.61 3lqs n LYS 145 N 3.84 3.38 -2.79 2.79 4.81 -1.26 -4.97 118.16 123.94 3lqs n LYS 145 Ca -0.04 -3.56 -0.20 0.00 -0.87 0.00 0.00 58.31 53.64 3lqs n LYS 145 Cb 0.51 -3.09 0.04 0.00 0.02 0.00 0.00 35.03 32.51 3lqs n LYS 145 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3lqs s SER 146 N 2.45 5.26 0.00 3.14 1.04 -1.26 -2.06 113.70 122.27 3lqs s SER 146 Ca 0.44 -0.28 0.30 0.00 0.48 0.00 0.00 55.95 56.89 3lqs s SER 146 Cb 0.03 -0.56 1.44 0.00 0.10 0.00 0.00 66.02 67.04 3lqs s SER 146 CO 0.01 -1.13 1.97 0.18 0.98 0.00 0.00 173.24 175.24 3lqs n LEU 147 N -2.24 0.67 -4.57 2.42 4.77 -0.78 -4.58 117.00 112.70 3lqs n LEU 147 Ca 0.10 -0.19 -0.38 0.00 -0.03 0.00 0.00 56.01 55.51 3lqs n LEU 147 Cb 0.60 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3lqs n LEU 147 CO 0.42 0.11 1.72 0.20 -1.33 0.00 0.00 177.39 178.52 3lqs s ASN 148 N -2.09 6.23 -0.10 -1.43 0.02 -1.26 -4.73 114.94 111.58 3lqs s ASN 148 Ca 0.40 -1.94 0.13 0.00 -1.02 0.00 0.00 52.86 50.44 3lqs s ASN 148 Cb 0.21 -2.58 0.32 0.00 0.02 0.00 0.00 41.25 39.22 3lqs s ASN 148 CO 0.38 -1.79 1.23 0.18 0.02 0.00 0.00 177.10 177.11 3lqs n LEU 149 N 10.30 2.89 -0.07 0.60 4.77 -1.26 -4.75 117.00 129.47 3lqs n LEU 149 Ca 0.44 -2.68 -0.04 0.00 -0.03 0.00 0.00 56.01 53.70 3lqs n LEU 149 Cb 0.47 -0.36 0.17 0.00 -2.33 0.00 0.00 43.42 41.38 3lqs n LEU 149 CO 0.71 0.66 0.84 0.25 -1.33 0.00 0.00 177.39 178.52 3lqs h LEU 150 N 0.93 0.69 -0.60 2.23 5.85 -1.99 -0.35 115.31 122.08 3lqs h LEU 150 Ca 0.00 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3lqs h LEU 150 Cb 1.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3lqs h LEU 150 CO 0.07 0.81 0.32 1.23 -0.34 0.00 0.00 178.44 180.53 3lqs h GLY 151 N 0.96 0.87 1.33 3.75 0.00 -1.95 -1.67 103.07 106.36 3lqs h GLY 151 Ca 0.12 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 3lqs h GLY 151 CO 0.03 0.14 -0.41 0.00 0.00 0.00 0.00 176.54 176.29 3lqs h ALA 152 N 1.32 0.71 -0.02 3.60 0.00 -1.72 -1.77 119.26 121.37 3lqs h ALA 152 Ca 0.27 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3lqs h ALA 152 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3lqs h ALA 152 CO -0.17 0.66 -0.13 0.28 0.00 0.00 0.00 179.25 179.89 3lqs h VAL 153 N 0.60 0.68 -0.45 0.00 2.07 -0.84 -0.02 116.25 118.29 3lqs h VAL 153 Ca 0.05 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 3lqs h VAL 153 Cb 0.96 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3lqs h VAL 153 CO 0.09 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.56 3lqs h LEU 154 N -0.20 0.74 -0.07 2.57 3.38 -1.20 -1.36 115.31 119.16 3lqs h LEU 154 Ca 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3lqs h LEU 154 Cb 0.27 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3lqs h LEU 154 CO -0.14 0.84 0.01 0.00 0.09 0.00 0.00 178.44 179.24 3lqs h ALA 155 N 1.24 0.09 -0.81 1.53 0.00 -1.14 -1.66 119.26 118.51 3lqs h ALA 155 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3lqs h ALA 155 Cb 0.51 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3lqs h ALA 155 CO 0.03 -0.26 0.42 -0.22 0.00 0.00 0.00 179.25 179.22 3lqs h LYS 156 N -0.14 1.15 -0.88 0.00 1.63 -0.88 -1.62 116.57 115.83 3lqs h LYS 156 Ca 0.02 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 3lqs h LYS 156 Cb 0.30 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 3lqs h LYS 156 CO 0.00 0.87 0.49 0.37 -3.45 0.00 0.00 179.45 177.74 3lqs h GLN 157 N 1.14 1.22 -0.43 1.90 5.75 -1.20 0.25 115.11 123.74 3lqs h GLN 157 Ca 0.28 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.67 3lqs h GLN 157 Cb 0.08 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 3lqs h GLN 157 CO -0.04 0.89 0.25 1.49 -2.65 0.00 0.00 178.83 178.76 3lqs h GLU 158 N 1.23 0.49 -0.49 1.69 4.81 -0.79 -1.39 114.58 120.13 3lqs h GLU 158 Ca 0.31 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3lqs h GLU 158 Cb 0.01 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3lqs h GLU 158 CO -0.05 0.32 0.27 0.00 -0.73 0.00 0.00 179.01 178.82 3lqs h ALA 159 N 1.20 0.62 -0.67 2.92 0.00 -0.72 -2.74 119.26 119.87 3lqs h ALA 159 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3lqs h ALA 159 Cb 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3lqs h ALA 159 CO -0.09 0.14 0.41 1.25 0.00 0.00 0.00 179.25 180.97 3lqs h HIS 160 N 0.64 0.78 0.00 0.00 -0.00 -0.72 0.19 115.15 116.04 3lqs h HIS 160 Ca 0.17 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 3lqs h HIS 160 Cb 0.04 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 3lqs h HIS 160 CO -0.02 0.44 -0.21 0.93 -0.00 0.00 0.00 177.93 179.08 3lqs h GLU 161 N 0.81 0.00 -0.22 5.26 5.08 -1.16 -1.33 114.58 123.03 3lqs h GLU 161 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3lqs h GLU 161 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3lqs h GLU 161 CO -0.10 0.21 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 3lqs n LYS 162 N -3.68 1.73 -2.29 2.33 5.02 -0.92 -4.94 118.16 115.41 3lqs n LYS 162 Ca -0.01 -1.11 -0.13 0.00 -2.02 0.00 0.00 58.31 55.03 3lqs n LYS 162 Cb 0.33 -1.35 -0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3lqs n LYS 162 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lqs n GLY 163 N 1.10 -0.16 3.81 0.72 0.00 -0.50 -5.04 105.19 105.12 3lqs n GLY 163 Ca 0.15 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3lqs n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqs h TYR 165 N 2.36 0.68 -3.76 0.00 3.20 -1.04 -3.29 116.97 115.13 3lqs h TYR 165 Ca -0.48 -0.50 -0.17 0.00 3.14 0.00 0.00 58.73 60.73 3lqs h TYR 165 Cb 1.20 -0.03 -0.22 0.00 1.54 0.00 0.00 36.73 39.22 3lqs h TYR 165 CO 0.57 1.38 -0.63 -2.00 -1.64 0.00 0.00 178.16 175.85 3lqs s GLU 166 N -2.65 0.31 -0.24 1.82 2.56 -1.23 -4.92 118.70 114.36 3lqs s GLU 166 Ca -0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 54.97 54.33 3lqs s GLU 166 Cb 0.06 0.12 -0.03 0.00 2.00 0.00 0.00 34.13 36.28 3lqs s GLU 166 CO 0.91 -0.06 0.47 0.00 -0.56 0.00 0.00 175.26 176.02 3lqs s ALA 167 N -1.14 3.57 -0.24 6.30 0.00 -1.26 -2.27 121.76 126.72 3lqs s ALA 167 Ca -0.12 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 3lqs s ALA 167 Cb -0.07 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 3lqs s ALA 167 CO -0.00 -0.59 0.44 0.42 0.00 0.00 0.00 175.76 176.04 3lqs s ILE 168 N 1.95 5.14 0.20 0.00 1.01 0.10 -1.49 121.20 128.12 3lqs s ILE 168 Ca 0.20 0.76 -0.05 0.00 0.00 0.00 0.00 60.65 61.56 3lqs s ILE 168 Cb -0.15 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 3lqs s ILE 168 CO 0.09 0.17 0.46 -0.76 0.00 0.00 0.00 174.94 174.89 3lqs s LEU 169 N 1.85 4.19 -0.05 2.97 1.43 0.32 -1.35 118.68 128.04 3lqs s LEU 169 Ca 0.19 0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 53.91 3lqs s LEU 169 Cb -0.15 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.66 3lqs s LEU 169 CO 0.09 -0.04 0.14 -1.38 0.23 0.00 0.00 176.35 175.38 3lqs s HIS 170 N -1.82 -0.15 -0.14 0.29 -3.43 -0.93 -1.27 115.29 107.83 3lqs s HIS 170 Ca 0.43 0.39 0.01 0.00 -0.80 0.00 0.00 55.06 55.09 3lqs s HIS 170 Cb -0.11 0.03 0.02 0.00 -1.43 0.00 0.00 32.58 31.08 3lqs s HIS 170 CO 0.26 -0.09 -0.16 0.50 -2.00 0.00 0.00 174.74 173.25 3lqs s ARG 171 N 0.26 2.47 -1.39 -0.38 3.52 -0.17 0.16 118.95 123.41 3lqs s ARG 171 Ca -0.02 -0.63 -0.08 0.00 -0.13 0.00 0.00 55.73 54.87 3lqs s ARG 171 Cb -0.03 -2.16 0.03 0.00 -1.56 0.00 0.00 34.95 31.24 3lqs s ARG 171 CO -0.01 -0.17 1.01 -1.71 -0.81 0.00 0.00 175.30 173.62 3lqs n ASN 172 N 4.53 -4.39 0.00 -2.12 5.15 -1.26 -1.52 115.26 115.65 3lqs n ASN 172 Ca -0.18 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 3lqs n ASN 172 Cb 0.50 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.29 3lqs n ASN 172 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3lqs n ASN 173 N -2.97 -4.94 -4.63 1.20 4.05 -1.26 -4.96 115.26 101.75 3lqs n ASN 173 Ca -0.07 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.59 3lqs n ASN 173 Cb 0.58 -2.99 -0.10 0.00 1.23 0.00 0.00 39.78 38.51 3lqs n ASN 173 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3lqs s THR 174 N -1.17 5.30 0.17 -0.44 2.01 -0.58 -1.62 115.64 119.32 3lqs s THR 174 Ca 0.00 0.27 -0.32 0.00 0.31 0.00 0.00 61.69 61.96 3lqs s THR 174 Cb 0.00 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 3lqs s THR 174 CO 0.00 0.28 1.59 -0.69 -0.69 0.00 0.00 174.62 175.11 3lqs s VAL 175 N 1.46 2.57 0.00 3.82 1.01 0.19 -1.00 120.40 128.44 3lqs s VAL 175 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3lqs s VAL 175 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3lqs s VAL 175 CO 0.08 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.56 3lqs n THR 176 N 4.01 0.00 -3.81 3.92 -2.24 -0.40 -4.55 114.28 111.21 3lqs n THR 176 Ca 0.14 0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.92 3lqs n THR 176 Cb 0.38 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 3lqs n THR 176 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3lqs n GLU 177 N -1.55 0.27 -2.69 -0.78 0.28 -1.26 -4.55 120.64 110.37 3lqs n GLU 177 Ca 0.00 -1.17 -0.24 0.00 -0.16 0.00 0.00 57.16 55.59 3lqs n GLU 177 Cb 0.00 1.11 0.02 0.00 1.43 0.00 0.00 31.44 34.00 3lqs n GLU 177 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3lqs s GLY 178 N -1.90 1.61 0.55 -1.84 0.00 0.19 -0.52 107.32 105.42 3lqs s GLY 178 Ca 0.12 -0.93 0.24 0.00 0.00 0.00 0.00 44.72 44.15 3lqs s GLY 178 CO 0.09 -0.69 2.11 1.48 0.00 0.00 0.00 173.10 176.09 3lqs h SER 179 N 0.10 0.00 -0.51 1.64 4.64 -1.62 -3.19 113.55 114.61 3lqs h SER 179 Ca -0.45 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.60 3lqs h SER 179 Cb 1.26 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.02 3lqs h SER 179 CO 0.58 0.00 -0.91 -1.54 -0.87 0.00 0.00 176.83 174.10 3lqs n SER 180 N -4.21 0.55 -3.65 4.97 3.41 -1.26 -4.83 113.62 108.60 3lqs n SER 180 Ca 0.02 -2.36 -0.07 0.00 -0.26 0.00 0.00 58.87 56.19 3lqs n SER 180 Cb 0.29 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 3lqs n SER 180 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3lqs s SER 181 N -2.78 -0.32 0.21 4.04 1.04 -1.21 -4.77 113.70 109.93 3lqs s SER 181 Ca 0.24 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.43 3lqs s SER 181 Cb 0.40 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 67.03 3lqs s SER 181 CO -0.03 -0.94 0.34 0.20 0.98 0.00 0.00 173.24 173.79 3lqs s ASN 182 N -2.79 6.33 -0.10 7.02 -0.87 -0.07 -0.63 114.94 123.83 3lqs s ASN 182 Ca 0.08 0.14 0.04 0.00 -1.57 0.00 0.00 52.86 51.55 3lqs s ASN 182 Cb -0.02 -1.89 -0.00 0.00 -0.02 0.00 0.00 41.25 39.32 3lqs s ASN 182 CO -0.02 -0.04 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.54 3lqs s VAL 183 N -1.91 2.05 0.04 1.60 1.01 -1.26 -1.00 120.40 120.93 3lqs s VAL 183 Ca 0.35 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.39 3lqs s VAL 183 Cb -0.10 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3lqs s VAL 183 CO 0.29 0.56 -0.22 -0.36 0.00 0.00 0.00 175.10 175.37 3lqs s PHE 184 N 0.30 1.97 0.09 5.22 0.40 -0.36 -4.38 117.98 121.21 3lqs s PHE 184 Ca -0.18 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 55.86 3lqs s PHE 184 Cb -0.18 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 3lqs s PHE 184 CO 0.08 0.10 -0.23 0.20 0.70 0.00 0.00 175.22 176.07 3lqs s GLY 185 N -1.19 1.33 -0.07 4.36 0.00 -0.07 -1.74 107.32 109.93 3lqs s GLY 185 Ca 0.09 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.58 3lqs s GLY 185 CO 0.02 -1.23 -0.22 -0.42 0.00 0.00 0.00 173.10 171.25 3lqs s ILE 186 N -0.99 1.84 -0.07 0.90 1.01 0.91 -0.22 121.20 124.57 3lqs s ILE 186 Ca 0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3lqs s ILE 186 Cb -0.10 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.83 3lqs s ILE 186 CO 0.04 0.51 0.13 -0.75 0.00 0.00 0.00 174.94 174.87 3lqs s LYS 187 N 0.18 0.03 -1.48 2.79 2.47 -0.75 -0.72 119.74 122.25 3lqs s LYS 187 Ca -0.11 0.46 -0.09 0.00 -1.56 0.00 0.00 55.97 54.66 3lqs s LYS 187 Cb -0.15 -0.28 0.06 0.00 -1.46 0.00 0.00 37.83 36.00 3lqs s LYS 187 CO 0.06 -0.26 0.83 -0.25 0.16 0.00 0.00 175.35 175.88 3lqs n ASP 188 N 4.95 -3.21 -0.54 1.43 8.00 -1.26 -1.91 116.55 124.01 3lqs n ASP 188 Ca -0.12 -0.84 -0.07 0.00 0.71 0.00 0.00 54.79 54.47 3lqs n ASP 188 Cb 0.50 -3.70 -0.03 0.00 -0.02 0.00 0.00 41.12 37.88 3lqs n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lqs n GLY 189 N -1.67 0.87 3.54 0.44 0.00 -1.26 -5.00 105.19 102.11 3lqs n GLY 189 Ca -0.08 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3lqs n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lqs s ILE 190 N -2.06 3.39 -0.26 -0.61 1.01 -0.80 -4.25 121.20 117.61 3lqs s ILE 190 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 3lqs s ILE 190 Cb 0.00 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 3lqs s ILE 190 CO 0.00 0.50 0.16 -0.22 0.00 0.00 0.00 174.94 175.39 3lqs s LEU 191 N -1.05 3.98 -0.04 2.97 2.96 -0.00 -1.80 118.68 125.70 3lqs s LEU 191 Ca 0.14 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3lqs s LEU 191 Cb -0.11 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3lqs s LEU 191 CO 0.03 -0.00 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.64 3lqs s TYR 192 N 1.47 2.80 -0.11 5.38 2.02 0.69 -0.36 117.35 129.25 3lqs s TYR 192 Ca 0.07 -0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.45 3lqs s TYR 192 Cb -0.15 -1.64 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 3lqs s TYR 192 CO 0.08 0.27 0.56 -0.08 -1.57 0.00 0.00 175.55 174.81 3lqs s THR 193 N -0.81 0.01 0.28 -0.71 -1.32 -1.07 -0.90 115.64 111.12 3lqs s THR 193 Ca 0.13 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 3lqs s THR 193 Cb -0.11 -0.84 -0.13 0.00 -1.51 0.00 0.00 72.50 69.91 3lqs s THR 193 CO 0.02 -0.06 1.30 1.57 -2.21 0.00 0.00 174.62 175.25 3lqs n HIS 194 N 1.70 2.05 -1.03 9.09 -0.00 -1.26 -2.41 115.22 123.36 3lqs n HIS 194 Ca -0.18 0.52 -0.31 0.00 0.46 0.00 0.00 57.72 58.22 3lqs n HIS 194 Cb 0.56 -2.41 0.12 0.00 -0.12 0.00 0.00 29.99 28.15 3lqs n HIS 194 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3lqs s PRO 195 N -1.07 1.72 -1.23 1.57 0.04 -1.26 -4.88 135.00 129.89 3lqs s PRO 195 Ca 0.63 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 3lqs s PRO 195 Cb -0.64 -1.83 0.13 0.00 0.04 0.00 0.00 34.50 32.21 3lqs s PRO 195 CO 0.56 -2.07 1.54 0.00 0.04 0.00 0.00 177.00 177.07 3lqs s ALA 196 N -2.80 3.69 0.00 8.56 0.00 -1.26 -4.77 121.76 125.18 3lqs s ALA 196 Ca 0.63 -3.15 0.00 0.00 0.00 0.00 0.00 51.96 49.45 3lqs s ALA 196 Cb -0.19 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.59 3lqs s ALA 196 CO 0.57 -3.00 0.00 0.27 0.00 0.00 0.00 175.76 173.60 3lqs n ASN 197 N 6.82 1.48 0.00 0.00 0.23 -1.26 -5.00 115.26 117.53 3lqs n ASN 197 Ca 0.41 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.52 3lqs n ASN 197 Cb 0.44 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.45 3lqs n ASN 197 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3lqs n ASN 198 N 0.00 0.00 0.09 0.53 3.02 -1.26 -2.87 115.26 114.77 3lqs n ASN 198 Ca 0.00 0.18 0.12 0.00 -0.03 0.00 0.00 54.58 54.86 3lqs n ASN 198 Cb 0.00 -0.33 0.25 0.00 -0.61 0.00 0.00 39.78 39.10 3lqs n ASN 198 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3lqs h MET 199 N 0.00 0.00 -4.25 3.52 2.86 -1.90 -0.04 114.93 115.12 3lqs h MET 199 Ca 0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 3lqs h MET 199 Cb 0.14 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.65 3lqs h MET 199 CO 0.00 0.00 -0.61 0.96 1.06 0.00 0.00 176.91 178.32 3lqs s ILE 200 N -3.15 0.16 0.04 -1.22 -4.36 -1.14 -4.77 121.20 106.76 3lqs s ILE 200 Ca 0.08 -1.76 -0.28 0.00 -0.26 0.00 0.00 60.65 58.43 3lqs s ILE 200 Cb 0.12 -1.73 -0.05 0.00 1.25 0.00 0.00 42.46 42.06 3lqs s ILE 200 CO 0.67 -0.71 0.88 -0.22 0.24 0.00 0.00 174.94 175.80 3lqs s LEU 201 N -2.97 4.43 -1.02 0.37 2.96 -1.09 -3.11 118.68 118.25 3lqs s LEU 201 Ca 0.14 1.59 -0.23 0.00 -0.22 0.00 0.00 54.13 55.41 3lqs s LEU 201 Cb 0.07 -3.42 0.05 0.00 0.50 0.00 0.00 46.19 43.39 3lqs s LEU 201 CO -0.05 -0.10 1.45 -0.75 -1.32 0.00 0.00 176.35 175.57 3lqs s LYS 202 N 0.36 3.60 0.49 1.98 2.20 -1.26 -4.95 119.74 122.16 3lqs s LYS 202 Ca 0.45 -1.17 -0.24 0.00 -0.36 0.00 0.00 55.97 54.66 3lqs s LYS 202 Cb -0.21 -5.35 -0.07 0.00 -1.51 0.00 0.00 37.83 30.69 3lqs s LYS 202 CO 0.26 -2.20 1.38 0.20 -0.36 0.00 0.00 175.35 174.64 3lqs s GLY 203 N 4.91 2.90 0.14 5.54 0.00 -1.26 -4.94 107.32 114.62 3lqs s GLY 203 Ca 0.46 1.38 -0.11 0.00 0.00 0.00 0.00 44.72 46.45 3lqs s GLY 203 CO -0.10 1.95 1.50 -2.22 0.00 0.00 0.00 173.10 174.23 3lqs h ILE 204 N 1.96 1.27 -0.66 0.90 1.08 -1.97 -2.53 117.51 117.55 3lqs h ILE 204 Ca -0.51 -1.48 -0.05 0.00 -0.39 0.00 0.00 64.86 62.43 3lqs h ILE 204 Cb 1.28 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 3lqs h ILE 204 CO 0.60 0.50 0.22 0.74 -0.69 0.00 0.00 178.15 179.52 3lqs h THR 205 N 0.78 1.25 -0.41 -0.27 2.02 -1.92 -1.17 112.91 113.19 3lqs h THR 205 Ca 0.08 -0.83 0.08 0.00 0.77 0.00 0.00 66.41 66.51 3lqs h THR 205 Cb 0.90 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 3lqs h THR 205 CO 0.08 0.32 -0.11 -0.09 0.37 0.00 0.00 175.52 176.09 3lqs h ARG 206 N 0.94 -0.02 -0.61 6.66 2.43 -1.88 -0.22 114.38 121.69 3lqs h ARG 206 Ca 0.21 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3lqs h ARG 206 Cb 0.27 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3lqs h ARG 206 CO -0.01 -0.01 0.03 -0.44 -1.51 0.00 0.00 179.97 178.03 3lqs h ASP 207 N -0.02 1.02 -0.60 -3.80 3.32 -1.07 -1.19 116.42 114.08 3lqs h ASP 207 Ca 0.20 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.99 3lqs h ASP 207 Cb 0.32 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3lqs h ASP 207 CO -0.43 1.05 0.39 0.58 -1.72 0.00 0.00 179.24 179.11 3lqs h VAL 208 N 0.96 1.12 -0.63 -1.35 2.07 -0.72 -1.49 116.25 116.21 3lqs h VAL 208 Ca 0.18 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3lqs h VAL 208 Cb 0.52 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3lqs h VAL 208 CO 0.03 0.14 0.10 0.58 0.02 0.00 0.00 177.57 178.44 3lqs h VAL 209 N 0.78 1.26 -0.39 2.57 2.07 -0.74 0.11 116.25 121.91 3lqs h VAL 209 Ca 0.23 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3lqs h VAL 209 Cb -0.04 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3lqs h VAL 209 CO -0.07 0.38 0.09 0.40 0.02 0.00 0.00 177.57 178.38 3lqs h ILE 210 N 0.98 1.23 -0.71 4.57 2.04 -1.01 -0.49 117.51 124.11 3lqs h ILE 210 Ca 0.19 -0.80 0.10 0.00 1.00 0.00 0.00 64.86 65.36 3lqs h ILE 210 Cb 0.42 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 3lqs h ILE 210 CO 0.01 0.28 0.34 0.00 0.00 0.00 0.00 178.15 178.77 3lqs h ALA 211 N 0.94 0.98 -0.86 1.87 0.00 -0.90 -1.62 119.26 119.67 3lqs h ALA 211 Ca 0.12 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3lqs h ALA 211 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3lqs h ALA 211 CO 0.00 -0.09 0.45 0.00 0.00 0.00 0.00 179.25 179.61 3lqs h ALA 213 N 1.24 0.24 -0.78 0.00 0.00 -0.63 -1.75 119.26 117.59 3lqs h ALA 213 Ca 0.30 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.28 3lqs h ALA 213 Cb 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3lqs h ALA 213 CO -0.04 -0.22 0.36 -0.91 0.00 0.00 0.00 179.25 178.43 3lqs h ASN 214 N 0.20 0.41 0.11 0.00 2.35 -1.10 -0.20 115.58 117.35 3lqs h ASN 214 Ca 0.07 0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3lqs h ASN 214 Cb 0.07 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3lqs h ASN 214 CO -0.01 0.18 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.35 3lqs h GLU 215 N 0.54 0.27 -0.61 0.81 5.08 -0.76 -2.64 114.58 117.27 3lqs h GLU 215 Ca 0.42 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3lqs h GLU 215 Cb 0.58 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3lqs h GLU 215 CO -0.36 0.53 0.00 0.44 -1.00 0.00 0.00 179.01 178.62 3lqs n ILE 216 N -4.14 1.08 -3.58 3.13 -5.35 -0.70 -4.95 119.36 104.85 3lqs n ILE 216 Ca -0.01 -0.85 -0.22 0.00 -0.27 0.00 0.00 62.75 61.39 3lqs n ILE 216 Cb 0.38 0.24 0.08 0.00 -1.74 0.00 0.00 39.64 38.60 3lqs n ILE 216 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3lqs n ASN 217 N 1.07 -5.02 -4.58 7.28 4.05 -0.76 -5.00 115.26 112.29 3lqs n ASN 217 Ca 0.20 -0.58 -0.36 0.00 0.45 0.00 0.00 54.58 54.29 3lqs n ASN 217 Cb 0.60 -4.97 -0.11 0.00 1.23 0.00 0.00 39.78 36.54 3lqs n ASN 217 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 3lqs s MET 218 N -6.08 3.90 0.42 1.20 1.75 -0.16 -5.02 119.30 115.31 3lqs s MET 218 Ca 0.42 -0.37 -0.26 0.00 -1.25 0.00 0.00 55.69 54.23 3lqs s MET 218 Cb -0.19 -3.33 -0.09 0.00 2.84 0.00 0.00 34.83 34.06 3lqs s MET 218 CO 0.74 0.08 1.42 -2.14 -0.65 0.00 0.00 175.02 174.47 3lqs s PRO 219 N 0.92 3.86 -0.10 4.11 0.02 -1.26 -4.23 135.00 138.32 3lqs s PRO 219 Ca 0.05 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.49 3lqs s PRO 219 Cb -0.14 -2.77 0.02 0.00 0.02 0.00 0.00 34.50 31.63 3lqs s PRO 219 CO 0.03 -0.67 -0.13 0.08 -0.33 0.00 0.00 177.00 175.98 3lqs s VAL 220 N -1.19 1.28 -0.20 3.83 1.01 -1.26 -0.82 120.40 123.05 3lqs s VAL 220 Ca 0.58 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3lqs s VAL 220 Cb -0.43 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 34.79 3lqs s VAL 220 CO 0.57 0.40 -0.15 -0.54 0.00 0.00 0.00 175.10 175.37 3lqs s LYS 221 N 1.04 2.54 -1.32 2.72 1.02 0.51 -4.96 119.74 121.29 3lqs s LYS 221 Ca -0.07 -0.94 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 3lqs s LYS 221 Cb -0.15 -2.58 0.13 0.00 -0.52 0.00 0.00 37.83 34.71 3lqs s LYS 221 CO -0.01 -0.35 1.92 0.39 -0.92 0.00 0.00 175.35 176.37 3lqs n GLU 222 N 4.60 3.37 -4.59 1.68 1.02 -1.26 -2.60 120.64 122.85 3lqs n GLU 222 Ca -0.18 -3.30 -0.23 0.00 -0.02 0.00 0.00 57.16 53.44 3lqs n GLU 222 Cb 0.47 -3.06 -0.16 0.00 -0.02 0.00 0.00 31.44 28.67 3lqs n GLU 222 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3lqs s ILE 223 N 1.46 1.08 0.63 -3.67 -5.25 -1.01 -4.12 121.20 110.31 3lqs s ILE 223 Ca 0.43 -0.53 -0.15 0.00 -0.99 0.00 0.00 60.65 59.41 3lqs s ILE 223 Cb 0.09 -0.94 -0.02 0.00 2.95 0.00 0.00 42.46 44.55 3lqs s ILE 223 CO -0.02 0.32 1.08 -2.16 -1.79 0.00 0.00 174.94 172.38 3lqs s PRO 224 N 0.09 3.05 0.18 0.37 0.04 -1.26 -4.08 135.00 133.38 3lqs s PRO 224 Ca -0.03 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.39 3lqs s PRO 224 Cb -0.09 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3lqs s PRO 224 CO 0.01 -1.04 -0.17 -0.59 0.04 0.00 0.00 177.00 175.25 3lqs s PHE 225 N -2.40 1.79 0.68 0.56 -0.71 -1.26 -5.01 117.98 111.64 3lqs s PHE 225 Ca 0.65 -0.49 -0.06 0.00 -1.04 0.00 0.00 56.93 55.99 3lqs s PHE 225 Cb -0.18 -0.88 0.05 0.00 -1.21 0.00 0.00 43.02 40.80 3lqs s PHE 225 CO 0.39 0.34 0.99 0.95 -1.34 0.00 0.00 175.22 176.55 3lqs s THR 226 N -2.26 2.46 0.22 -4.49 -4.23 -1.26 -0.64 115.64 105.43 3lqs s THR 226 Ca 0.17 -0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 60.34 3lqs s THR 226 Cb -0.05 -3.05 0.16 0.00 1.34 0.00 0.00 72.50 70.90 3lqs s THR 226 CO 0.07 -0.06 1.83 0.71 -0.54 0.00 0.00 174.62 176.64 3lqs h THR 227 N -0.51 1.04 -0.55 3.99 1.35 -1.66 0.47 112.91 117.04 3lqs h THR 227 Ca -0.44 -0.28 0.03 0.00 -0.55 0.00 0.00 66.41 65.16 3lqs h THR 227 Cb 1.31 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.82 3lqs h THR 227 CO 0.60 0.15 0.32 0.45 -0.25 0.00 0.00 175.52 176.79 3lqs h HIS 228 N 0.83 0.59 -0.42 4.73 3.86 -1.95 -2.53 115.15 120.26 3lqs h HIS 228 Ca 0.31 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.44 3lqs h HIS 228 Cb 0.12 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 3lqs h HIS 228 CO -0.05 0.33 -0.12 0.93 0.86 0.00 0.00 177.93 179.88 3lqs h GLU 229 N 0.63 0.83 -0.84 2.45 5.08 -1.82 -3.03 114.58 117.87 3lqs h GLU 229 Ca 0.22 -0.32 0.18 0.00 -1.00 0.00 0.00 59.36 58.44 3lqs h GLU 229 Cb 0.05 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.15 3lqs h GLU 229 CO -0.11 0.95 0.36 0.00 -1.00 0.00 0.00 179.01 179.21 3lqs h ALA 230 N 0.85 1.27 0.00 3.43 0.00 -0.69 -0.15 119.26 123.97 3lqs h ALA 230 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3lqs h ALA 230 Cb 0.66 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3lqs h ALA 230 CO 0.05 -0.26 0.00 -0.07 0.00 0.00 0.00 179.25 178.97 3lqs h LEU 231 N 0.44 0.00 -2.57 0.00 3.38 -1.33 -2.60 115.31 112.63 3lqs h LEU 231 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3lqs h LEU 231 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3lqs h LEU 231 CO -0.47 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.35 3lqs n LYS 232 N -2.50 2.57 -2.10 1.13 5.02 -0.09 -4.72 118.16 117.47 3lqs n LYS 232 Ca 0.02 -2.34 -0.34 0.00 -2.02 0.00 0.00 58.31 53.62 3lqs n LYS 232 Cb 0.25 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3lqs n LYS 232 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3lqs s MET 233 N -1.15 3.20 0.13 1.97 -1.94 -0.98 -4.95 119.30 115.57 3lqs s MET 233 Ca 0.39 1.50 -0.13 0.00 -1.71 0.00 0.00 55.69 55.73 3lqs s MET 233 Cb 0.21 -1.99 -0.03 0.00 2.01 0.00 0.00 34.83 35.03 3lqs s MET 233 CO 0.28 -0.95 1.53 -0.44 -0.01 0.00 0.00 175.02 175.43 3lqs h ASP 234 N 0.79 0.80 -5.17 3.03 3.32 -1.27 -3.35 116.42 114.57 3lqs h ASP 234 Ca -0.49 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.07 3lqs h ASP 234 Cb 1.25 -0.22 -0.16 0.00 0.22 0.00 0.00 39.33 40.42 3lqs h ASP 234 CO 0.56 0.99 -0.65 -1.61 -1.72 0.00 0.00 179.24 176.81 3lqs s GLU 235 N -4.77 0.56 -0.08 3.56 2.02 -0.81 -4.39 118.70 114.81 3lqs s GLU 235 Ca -0.12 -1.03 -0.06 0.00 0.02 0.00 0.00 54.97 53.77 3lqs s GLU 235 Cb 0.10 0.20 0.03 0.00 0.10 0.00 0.00 34.13 34.56 3lqs s GLU 235 CO 0.82 -0.11 0.20 -1.17 0.02 0.00 0.00 175.26 175.02 3lqs s LEU 236 N -2.54 1.02 0.13 1.80 1.98 -1.26 -0.06 118.68 119.75 3lqs s LEU 236 Ca 0.01 0.41 -0.08 0.00 -2.89 0.00 0.00 54.13 51.58 3lqs s LEU 236 Cb 0.03 0.65 -0.01 0.00 0.66 0.00 0.00 46.19 47.53 3lqs s LEU 236 CO -0.08 -0.10 0.22 0.72 -1.89 0.00 0.00 176.35 175.23 3lqs s PHE 237 N 0.45 0.34 0.17 5.38 -0.12 -0.71 -0.83 117.98 122.66 3lqs s PHE 237 Ca -0.03 -0.74 0.11 0.00 -0.05 0.00 0.00 56.93 56.23 3lqs s PHE 237 Cb -0.04 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 3lqs s PHE 237 CO -0.02 -0.63 -0.24 0.14 -0.05 0.00 0.00 175.22 174.42 3lqs s VAL 238 N -3.93 2.37 0.00 -2.49 -7.23 0.13 -1.22 120.40 108.03 3lqs s VAL 238 Ca 0.13 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 3lqs s VAL 238 Cb 0.04 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 3lqs s VAL 238 CO -0.04 -0.06 -0.16 0.42 -0.31 0.00 0.00 175.10 174.95 3lqs s THR 239 N -1.50 1.28 0.18 5.32 -4.23 -0.17 -1.08 115.64 115.45 3lqs s THR 239 Ca 0.19 -0.79 -0.24 0.00 -1.18 0.00 0.00 61.69 59.68 3lqs s THR 239 Cb -0.09 -1.09 0.05 0.00 1.34 0.00 0.00 72.50 72.72 3lqs s THR 239 CO 0.09 0.29 0.84 -0.94 -0.54 0.00 0.00 174.62 174.36 3lqs s SER 240 N -0.58 -0.25 0.27 3.99 1.04 -1.08 -0.90 113.70 116.20 3lqs s SER 240 Ca 0.06 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3lqs s SER 240 Cb -0.07 0.57 0.54 0.00 0.10 0.00 0.00 66.02 67.16 3lqs s SER 240 CO -0.00 -1.04 1.82 0.74 0.98 0.00 0.00 173.24 175.74 3lqs h THR 241 N 2.00 0.87 0.07 2.02 2.02 -1.90 0.87 112.91 118.86 3lqs h THR 241 Ca -0.23 -0.31 -0.32 0.00 0.77 0.00 0.00 66.41 66.33 3lqs h THR 241 Cb 1.24 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3lqs h THR 241 CO 0.26 0.16 -1.78 0.71 0.37 0.00 0.00 175.52 175.25 3lqs h THR 242 N 0.89 0.83 0.00 3.16 1.35 -1.95 -3.38 112.91 113.80 3lqs h THR 242 Ca 0.48 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 3lqs h THR 242 Cb 0.52 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3lqs h THR 242 CO -0.28 0.70 0.00 0.28 -0.25 0.00 0.00 175.52 175.97 3lqs h SER 243 N 0.04 0.00 0.00 5.36 0.02 -1.88 -3.42 113.55 113.67 3lqs h SER 243 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3lqs h SER 243 Cb 2.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.56 3lqs h SER 243 CO 0.10 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.17 3lqs n GLU 244 N -2.63 0.00 -3.58 3.45 1.02 0.28 -3.24 120.64 115.94 3lqs n GLU 244 Ca 0.04 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.78 3lqs n GLU 244 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.76 3lqs n GLU 244 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3lqs s ILE 245 N 0.00 4.29 -0.39 -3.67 1.01 -1.26 -2.63 121.20 118.55 3lqs s ILE 245 Ca 0.00 -2.44 -0.16 0.00 0.00 0.00 0.00 60.65 58.04 3lqs s ILE 245 Cb 0.00 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.71 3lqs s ILE 245 CO 0.00 -0.87 0.40 -0.89 0.00 0.00 0.00 174.94 173.57 3lqs s THR 246 N 0.48 5.13 0.39 2.92 2.01 -0.24 -4.75 115.64 121.58 3lqs s THR 246 Ca 0.13 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 61.67 3lqs s THR 246 Cb -0.20 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 3lqs s THR 246 CO -0.04 -0.27 1.34 -2.84 -0.69 0.00 0.00 174.62 172.12 3lqs s PRO 247 N 2.06 4.07 -0.21 4.92 0.02 -1.26 -0.69 135.00 143.90 3lqs s PRO 247 Ca 0.12 2.25 -0.05 0.00 0.02 0.00 0.00 61.00 63.34 3lqs s PRO 247 Cb -0.17 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.47 3lqs s PRO 247 CO 0.13 -0.45 -0.01 0.08 -0.33 0.00 0.00 177.00 176.42 3lqs s VAL 248 N -1.20 3.76 -0.40 3.83 1.01 -0.01 -0.22 120.40 127.17 3lqs s VAL 248 Ca 0.54 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.24 3lqs s VAL 248 Cb -0.40 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 3lqs s VAL 248 CO 0.53 0.41 0.35 2.30 0.00 0.00 0.00 175.10 178.69 3lqs n ILE 249 N 4.56 0.00 -3.70 2.22 -5.35 -0.14 -4.21 119.36 112.75 3lqs n ILE 249 Ca -0.17 -0.32 -0.13 0.00 -0.27 0.00 0.00 62.75 61.86 3lqs n ILE 249 Cb 0.51 1.01 -0.09 0.00 -1.74 0.00 0.00 39.64 39.33 3lqs n ILE 249 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3lqs s GLU 250 N -1.72 0.57 -0.13 6.28 2.12 -1.24 -1.51 118.70 123.07 3lqs s GLU 250 Ca 0.03 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.08 3lqs s GLU 250 Cb 0.06 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.73 3lqs s GLU 250 CO 0.32 -0.08 -0.12 0.42 -0.54 0.00 0.00 175.26 175.26 3lqs s ILE 251 N 0.37 1.38 -1.43 -3.70 1.01 -0.03 -1.11 121.20 117.69 3lqs s ILE 251 Ca -0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 3lqs s ILE 251 Cb -0.04 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.14 3lqs s ILE 251 CO -0.01 0.43 0.51 0.47 0.00 0.00 0.00 174.94 176.34 3lqs n ASP 252 N 4.66 -0.91 0.00 3.58 8.00 -0.62 -1.28 116.55 129.99 3lqs n ASP 252 Ca -0.16 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3lqs n ASP 252 Cb 0.50 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 3lqs n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lqs n GLY 253 N -1.87 1.52 3.63 0.44 0.00 -1.26 -4.99 105.19 102.66 3lqs n GLY 253 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3lqs n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lqs s LYS 254 N -0.09 4.06 0.32 1.61 1.02 -0.40 -5.08 119.74 121.17 3lqs s LYS 254 Ca 0.00 -0.06 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 3lqs s LYS 254 Cb 0.00 -3.60 -0.09 0.00 -0.52 0.00 0.00 37.83 33.62 3lqs s LYS 254 CO 0.00 -0.12 1.12 -0.51 -0.92 0.00 0.00 175.35 174.92 3lqs s LEU 255 N 1.58 4.43 -0.32 3.17 2.01 -1.26 -0.85 118.68 127.43 3lqs s LEU 255 Ca 0.13 2.29 -0.24 0.00 0.01 0.00 0.00 54.13 56.31 3lqs s LEU 255 Cb -0.15 -3.76 0.01 0.00 0.01 0.00 0.00 46.19 42.29 3lqs s LEU 255 CO 0.08 -0.31 0.84 -0.63 1.01 0.00 0.00 176.35 177.34 3lqs s ILE 256 N -1.27 4.73 0.00 -0.59 -1.09 -0.57 -4.81 121.20 117.60 3lqs s ILE 256 Ca 0.49 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 60.10 3lqs s ILE 256 Cb -0.31 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 3lqs s ILE 256 CO 0.40 -0.34 0.00 -1.14 -1.23 0.00 0.00 174.94 172.63 3lqs n ARG 257 N 6.38 0.00 -0.09 2.79 0.63 -1.26 -0.76 116.66 124.35 3lqs n ARG 257 Ca 0.05 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.09 3lqs n ARG 257 Cb 0.48 0.00 0.31 0.00 0.45 0.00 0.00 32.46 33.70 3lqs n ARG 257 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3lqs n ASP 258 N 6.17 2.37 -0.21 6.15 5.68 -1.26 -4.93 116.55 130.52 3lqs n ASP 258 Ca 0.00 -1.81 -0.03 0.00 -0.50 0.00 0.00 54.79 52.45 3lqs n ASP 258 Cb 0.00 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 39.85 3lqs n ASP 258 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lqs n GLY 259 N 1.28 0.59 3.70 6.12 0.00 0.06 -5.03 105.19 111.91 3lqs n GLY 259 Ca 0.17 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 3lqs n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lqs s LYS 260 N -1.54 2.52 0.12 1.61 1.02 -1.26 -4.90 119.74 117.31 3lqs s LYS 260 Ca 0.00 -1.06 -0.31 0.00 0.02 0.00 0.00 55.97 54.62 3lqs s LYS 260 Cb 0.00 -2.42 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 3lqs s LYS 260 CO 0.00 0.46 1.53 0.08 -0.92 0.00 0.00 175.35 176.50 3lqs s VAL 261 N -1.75 2.96 0.71 3.17 1.01 -1.26 -4.97 120.40 120.26 3lqs s VAL 261 Ca 0.28 0.62 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 3lqs s VAL 261 Cb -0.09 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 32.93 3lqs s VAL 261 CO 0.20 0.03 1.06 -0.83 0.00 0.00 0.00 175.10 175.56 3lqs s GLY 262 N 1.45 1.63 0.21 4.51 0.00 -1.26 -4.94 107.32 108.91 3lqs s GLY 262 Ca 0.69 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.71 3lqs s GLY 262 CO 0.31 -0.26 1.63 1.05 0.00 0.00 0.00 173.10 175.83 3lqs h GLU 263 N -0.65 0.82 -0.32 2.90 4.11 -1.97 -2.30 114.58 117.17 3lqs h GLU 263 Ca -0.45 -0.32 -0.14 0.00 0.07 0.00 0.00 59.36 58.52 3lqs h GLU 263 Cb 1.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3lqs h GLU 263 CO 0.63 0.94 -0.36 -1.49 0.07 0.00 0.00 179.01 178.80 3lqs h TRP 264 N 0.72 0.85 -0.52 2.06 4.06 -1.99 -1.45 115.95 119.68 3lqs h TRP 264 Ca 0.10 -0.24 -0.02 0.00 2.06 0.00 0.00 58.89 60.80 3lqs h TRP 264 Cb 0.71 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 3lqs h TRP 264 CO 0.04 0.98 0.26 1.15 -3.56 0.00 0.00 178.44 177.31 3lqs h THR 265 N 0.60 1.19 -0.70 1.49 2.02 -1.93 -1.11 112.91 114.47 3lqs h THR 265 Ca 0.06 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.72 3lqs h THR 265 Cb 0.89 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3lqs h THR 265 CO 0.08 0.21 0.46 0.03 0.37 0.00 0.00 175.52 176.67 3lqs h ARG 266 N 0.70 0.93 -0.72 6.66 2.47 -1.34 0.18 114.38 123.26 3lqs h ARG 266 Ca 0.18 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3lqs h ARG 266 Cb 0.10 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 28.17 3lqs h ARG 266 CO -0.02 0.62 0.46 0.87 0.56 0.00 0.00 179.97 182.45 3lqs h LYS 267 N 0.95 0.97 -0.63 0.04 1.57 -1.05 -0.67 116.57 117.75 3lqs h LYS 267 Ca 0.26 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3lqs h LYS 267 Cb -0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 3lqs h LYS 267 CO -0.05 0.67 0.05 -0.07 -0.57 0.00 0.00 179.45 179.47 3lqs h LEU 268 N 0.98 1.06 -0.81 2.94 3.38 -0.94 -1.47 115.31 120.46 3lqs h LEU 268 Ca 0.26 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3lqs h LEU 268 Cb -0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 3lqs h LEU 268 CO -0.05 1.08 0.53 1.56 0.09 0.00 0.00 178.44 181.65 3lqs h GLN 269 N 1.00 1.02 -0.34 1.13 4.20 -0.71 -0.01 115.11 121.41 3lqs h GLN 269 Ca 0.19 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3lqs h GLN 269 Cb 0.51 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3lqs h GLN 269 CO 0.02 0.68 0.17 0.87 -0.67 0.00 0.00 178.83 179.90 3lqs h LYS 270 N 1.05 0.48 -0.86 1.46 1.79 -0.98 -1.71 116.57 117.81 3lqs h LYS 270 Ca 0.31 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.68 3lqs h LYS 270 Cb -0.07 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.45 3lqs h LYS 270 CO -0.09 0.43 0.41 0.37 -1.08 0.00 0.00 179.45 179.50 3lqs h GLN 271 N 0.41 1.23 -0.82 3.15 5.75 -1.05 -2.63 115.11 121.15 3lqs h GLN 271 Ca 0.12 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3lqs h GLN 271 Cb 0.10 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3lqs h GLN 271 CO -0.02 0.94 0.39 0.35 -2.65 0.00 0.00 178.83 177.85 3lqs h PHE 272 N 1.22 1.18 -0.42 3.99 3.57 -0.85 -2.71 116.94 122.93 3lqs h PHE 272 Ca 0.29 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.79 3lqs h PHE 272 Cb 0.11 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3lqs h PHE 272 CO 0.02 0.85 0.28 1.49 -2.23 0.00 0.00 178.31 178.72 3lqs h GLU 273 N 1.17 0.36 0.00 1.11 4.57 -0.92 -0.26 114.58 120.61 3lqs h GLU 273 Ca 0.28 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3lqs h GLU 273 Cb 0.12 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3lqs h GLU 273 CO -0.04 0.24 0.00 1.79 -1.18 0.00 0.00 179.01 179.82 3lqs h THR 274 N 0.37 0.00 0.00 0.32 1.35 -1.43 -3.10 112.91 110.42 3lqs h THR 274 Ca 0.18 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3lqs h THR 274 Cb 0.24 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3lqs h THR 274 CO -0.04 0.00 -1.13 0.29 -0.25 0.00 0.00 175.52 174.38 3lqs n LYS 275 N -2.69 0.48 -2.20 4.72 4.76 -0.11 -4.96 118.16 118.16 3lqs n LYS 275 Ca 0.00 0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.07 3lqs n LYS 275 Cb 0.20 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.68 3lqs n LYS 275 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3lqs s ILE 276 N -3.31 2.92 0.10 -0.18 1.01 -1.17 -4.97 121.20 115.59 3lqs s ILE 276 Ca 0.00 0.86 -0.31 0.00 0.00 0.00 0.00 60.65 61.20 3lqs s ILE 276 Cb 0.12 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.97 3lqs s ILE 276 CO 0.81 0.15 1.81 -2.84 0.00 0.00 0.00 174.94 174.87 3lqs s PRO 277 N -2.00 4.15 -0.37 2.79 0.02 -1.26 -4.98 135.00 133.35 3lqs s PRO 277 Ca 0.52 2.55 0.01 0.00 0.02 0.00 0.00 61.00 64.11 3lqs s PRO 277 Cb -0.36 -3.66 0.11 0.00 0.02 0.00 0.00 34.50 30.62 3lqs s PRO 277 CO 0.46 -0.84 0.15 0.15 -0.33 0.00 0.00 177.00 176.59 3lqs s LYS 278 N 2.93 1.11 -0.72 5.54 1.02 -1.26 -4.82 119.74 123.54 3lqs s LYS 278 Ca 0.80 -1.63 -0.18 0.00 0.02 0.00 0.00 55.97 54.99 3lqs s LYS 278 Cb -0.44 -2.39 0.13 0.00 -0.52 0.00 0.00 37.83 34.61 3lqs s LYS 278 CO 0.36 -1.05 0.82 -1.25 -0.92 0.00 0.00 175.35 173.31 3lqs s PRO 279 N 0.94 3.29 0.00 -1.68 0.05 -1.26 -5.22 135.00 131.12 3lqs s PRO 279 Ca 0.13 -1.65 0.24 0.00 0.05 0.00 0.00 61.00 59.77 3lqs s PRO 279 Cb -0.21 -4.45 1.42 0.00 0.05 0.00 0.00 34.50 31.31 3lqs s PRO 279 CO -0.12 -1.55 1.78 1.28 0.05 0.00 0.00 177.00 178.45