#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 2.31 -0.02 1.61 1.51 -1.26 -1.82 117.35 119.68 3lqs s TYR 2 Ca 0.00 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 3lqs s TYR 2 Cb 0.00 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 3lqs s TYR 2 CO 0.00 0.23 -0.22 0.99 -1.11 0.00 0.00 175.55 175.44 3lqs s THR 3 N -0.93 1.75 -0.06 -0.71 2.01 0.16 -4.62 115.64 113.24 3lqs s THR 3 Ca 0.13 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 3lqs s THR 3 Cb -0.10 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3lqs s THR 3 CO 0.04 0.49 1.15 -0.22 -0.69 0.00 0.00 174.62 175.40 3lqs s LEU 4 N -0.42 4.28 -0.23 4.42 2.96 0.90 -1.19 118.68 129.39 3lqs s LEU 4 Ca 0.06 1.76 -0.02 0.00 -0.22 0.00 0.00 54.13 55.71 3lqs s LEU 4 Cb -0.09 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.11 3lqs s LEU 4 CO 0.00 -0.54 0.03 0.86 -1.32 0.00 0.00 176.35 175.38 3lqs s TRP 5 N 2.08 1.46 0.00 5.38 -0.00 0.32 -1.35 118.94 126.83 3lqs s TRP 5 Ca 0.54 -1.24 0.00 0.00 -0.00 0.00 0.00 56.10 55.40 3lqs s TRP 5 Cb -0.23 -1.30 0.00 0.00 -0.00 0.00 0.00 33.47 31.94 3lqs s TRP 5 CO 0.22 -0.71 0.00 0.09 -0.00 0.00 0.00 176.95 176.55 3lqs n ASN 6 N 4.93 0.00 -0.59 5.86 3.02 -0.12 -1.23 115.26 127.13 3lqs n ASN 6 Ca -0.08 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.53 3lqs n ASN 6 Cb 0.45 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.79 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 10.62 3.07 -4.83 6.41 5.75 -1.26 -4.86 116.55 131.46 3lqs n ASP 7 Ca 0.00 -2.41 -0.30 0.00 -0.01 0.00 0.00 54.79 52.06 3lqs n ASP 7 Cb 0.00 -0.32 -0.06 0.00 -1.03 0.00 0.00 41.12 39.72 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 -1.74 3.07 -0.31 0.11 -1.52 -0.36 -5.09 119.66 113.81 3lqs s GLN 8 Ca 0.27 -0.62 -0.09 0.00 -1.95 0.00 0.00 55.36 52.97 3lqs s GLN 8 Cb 0.19 -2.83 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 3lqs s GLN 8 CO 0.10 0.57 0.13 0.42 -0.25 0.00 0.00 175.29 176.27 3lqs s ILE 9 N -1.46 4.35 0.13 1.08 -1.09 -1.26 -0.52 121.20 122.43 3lqs s ILE 9 Ca 0.31 -0.59 0.07 0.00 -2.23 0.00 0.00 60.65 58.21 3lqs s ILE 9 Cb -0.12 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 3lqs s ILE 9 CO 0.24 0.03 -0.15 0.68 -1.23 0.00 0.00 174.94 174.51 3lqs s VAL 10 N 1.56 1.47 0.34 2.92 -7.23 -0.34 -4.94 120.40 114.19 3lqs s VAL 10 Ca 0.03 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.14 3lqs s VAL 10 Cb -0.17 -1.63 -0.11 0.00 0.56 0.00 0.00 36.38 35.03 3lqs s VAL 10 CO 0.05 -0.40 1.39 -0.54 -0.31 0.00 0.00 175.10 175.30 3lqs s LYS 11 N -2.73 4.25 0.28 4.82 1.02 -1.26 -0.66 119.74 125.45 3lqs s LYS 11 Ca 0.11 2.37 0.01 0.00 0.02 0.00 0.00 55.97 58.48 3lqs s LYS 11 Cb -0.05 -3.03 0.68 0.00 -0.52 0.00 0.00 37.83 34.91 3lqs s LYS 11 CO 0.04 -0.35 1.63 -0.44 -0.92 0.00 0.00 175.35 175.31 3lqs h ASP 12 N 3.36 -0.11 0.56 2.83 3.32 -1.68 -0.46 116.42 124.24 3lqs h ASP 12 Ca -0.49 0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3lqs h ASP 12 Cb 1.23 0.31 0.00 0.00 0.22 0.00 0.00 39.33 41.09 3lqs h ASP 12 CO 0.66 -0.19 0.00 -1.84 -1.72 0.00 0.00 179.24 176.15 3lqs n GLU 13 N -5.28 0.10 0.18 3.56 0.00 -1.26 -2.36 120.64 115.58 3lqs n GLU 13 Ca 0.20 0.36 0.07 0.00 0.00 0.00 0.00 57.16 57.80 3lqs n GLU 13 Cb 0.66 -1.70 0.12 0.00 0.00 0.00 0.00 31.44 30.52 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 -6.22 3.44 5.08 -1.43 -3.45 114.58 112.00 3lqs h GLU 14 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3lqs h GLU 14 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3lqs h GLU 14 CO 0.00 0.27 0.86 0.08 -1.00 0.00 0.00 179.01 179.23 3lqs s VAL 15 N -3.11 4.17 -0.05 3.13 1.01 -1.00 -5.02 120.40 119.53 3lqs s VAL 15 Ca 0.05 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.52 3lqs s VAL 15 Cb 0.07 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 3lqs s VAL 15 CO 0.70 -0.09 -0.17 -0.54 0.00 0.00 0.00 175.10 175.01 3lqs s LYS 16 N 3.14 1.85 -0.10 2.72 1.02 -1.26 -5.10 119.74 122.01 3lqs s LYS 16 Ca 0.57 -0.61 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 3lqs s LYS 16 Cb -0.24 -1.58 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 3lqs s LYS 16 CO 0.19 0.22 0.21 0.42 -0.92 0.00 0.00 175.35 175.47 3lqs s ILE 17 N 0.10 5.37 0.27 2.17 -1.09 -1.26 -5.08 121.20 121.69 3lqs s ILE 17 Ca -0.05 0.38 -0.28 0.00 -2.23 0.00 0.00 60.65 58.47 3lqs s ILE 17 Cb -0.12 -3.49 -0.09 0.00 -1.58 0.00 0.00 42.46 37.17 3lqs s ILE 17 CO 0.03 0.59 0.93 -0.62 -1.23 0.00 0.00 174.94 174.63 3lqs s ASP 18 N -0.89 7.47 0.63 3.58 -1.08 -1.26 -4.95 116.67 120.17 3lqs s ASP 18 Ca 0.17 1.86 0.36 0.00 -0.52 0.00 0.00 52.55 54.43 3lqs s ASP 18 Cb -0.13 -2.58 2.05 0.00 -1.46 0.00 0.00 42.92 40.80 3lqs s ASP 18 CO 0.06 0.05 2.25 0.07 0.52 0.00 0.00 175.17 178.12 3lqs h LYS 19 N 3.68 0.00 -0.32 4.34 2.10 -2.02 -1.34 116.57 123.00 3lqs h LYS 19 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3lqs h LYS 19 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3lqs h LYS 19 CO 0.66 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.50 3lqs n GLU 20 N -3.40 3.17 -1.70 0.07 1.02 -1.26 -4.62 120.64 113.93 3lqs n GLU 20 Ca -0.02 -2.80 -0.42 0.00 -0.02 0.00 0.00 57.16 53.90 3lqs n GLU 20 Cb 0.15 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.21 4.04 0.29 1.62 -0.08 -0.51 -2.57 116.55 119.13 3lqs n ASP 21 Ca 0.21 1.00 0.17 0.00 -1.51 0.00 0.00 54.79 54.67 3lqs n ASP 21 Cb 0.88 -1.55 0.86 0.00 2.34 0.00 0.00 41.12 43.65 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 8.19 0.00 -0.38 -0.67 3.08 -1.28 0.17 114.38 123.48 3lqs h ARG 22 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3lqs h ARG 22 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 3lqs h ARG 22 CO 0.95 0.05 0.18 0.78 -1.07 0.00 0.00 179.97 180.86 3lqs h GLY 23 N 1.00 0.57 1.57 0.04 0.00 -1.81 -1.16 103.07 103.28 3lqs h GLY 23 Ca -0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 47.33 46.81 3lqs h GLY 23 CO 0.01 0.24 -1.29 -1.82 0.00 0.00 0.00 176.54 173.67 3lqs h TYR 24 N 0.53 0.41 0.00 5.60 3.20 -1.31 -2.73 116.97 122.67 3lqs h TYR 24 Ca 0.14 -0.30 -0.13 0.00 3.14 0.00 0.00 58.73 61.58 3lqs h TYR 24 Cb 0.07 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3lqs h TYR 24 CO 0.00 1.26 -1.51 1.04 -1.64 0.00 0.00 178.16 177.32 3lqs n GLN 25 N -3.48 0.63 0.00 1.82 6.02 -0.95 -4.60 117.38 116.82 3lqs n GLN 25 Ca -0.09 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3lqs n GLN 25 Cb 1.02 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 30.54 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 -2.74 0.00 -2.57 1.08 3.72 -0.50 -4.99 117.46 111.46 3lqs n PHE 26 Ca -0.09 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.14 3lqs n PHE 26 Cb 0.77 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.32 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 -0.28 3.47 1.37 0.00 -1.03 -4.90 105.19 104.03 3lqs n GLY 27 Ca 0.00 -0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.50 6.98 -0.07 1.61 2.15 -0.81 -4.00 116.67 120.02 3lqs s ASP 28 Ca 0.11 -2.79 -0.32 0.00 0.43 0.00 0.00 52.55 49.99 3lqs s ASP 28 Cb -0.05 -2.42 0.13 0.00 -0.30 0.00 0.00 42.92 40.28 3lqs s ASP 28 CO 0.14 -0.84 1.39 -0.83 -0.17 0.00 0.00 175.17 174.85 3lqs s GLY 29 N 3.11 -0.42 0.21 2.66 0.00 -1.26 -1.89 107.32 109.73 3lqs s GLY 29 Ca 0.42 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.92 3lqs s GLY 29 CO -0.01 1.45 -0.04 -1.34 0.00 0.00 0.00 173.10 173.16 3lqs s VAL 30 N -2.10 1.16 0.22 1.40 -7.23 -0.04 -1.56 120.40 112.24 3lqs s VAL 30 Ca 0.18 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 58.15 3lqs s VAL 30 Cb 0.06 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.80 3lqs s VAL 30 CO -0.05 -0.44 0.49 -0.72 -0.31 0.00 0.00 175.10 174.06 3lqs s TYR 31 N -3.34 0.13 0.07 2.82 1.13 -0.93 -0.85 117.35 116.38 3lqs s TYR 31 Ca 0.25 -0.50 -0.01 0.00 -1.41 0.00 0.00 57.07 55.40 3lqs s TYR 31 Cb 0.04 0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 41.14 3lqs s TYR 31 CO 0.07 -0.95 -0.01 -1.21 -2.51 0.00 0.00 175.55 170.94 3lqs s GLU 32 N -3.95 0.69 -0.06 -3.49 0.41 0.07 -4.86 118.70 107.52 3lqs s GLU 32 Ca 0.16 -1.27 0.02 0.00 -0.41 0.00 0.00 54.97 53.46 3lqs s GLU 32 Cb -0.01 0.22 0.02 0.00 -1.78 0.00 0.00 34.13 32.58 3lqs s GLU 32 CO 0.03 -0.15 -0.08 0.08 -0.49 0.00 0.00 175.26 174.65 3lqs s VAL 33 N -3.95 0.85 -0.08 2.63 1.01 -1.26 -1.91 120.40 117.69 3lqs s VAL 33 Ca 0.11 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3lqs s VAL 33 Cb 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3lqs s VAL 33 CO -0.07 0.30 -0.21 -0.69 0.00 0.00 0.00 175.10 174.42 3lqs s VAL 34 N 0.84 1.83 0.20 2.92 1.01 -0.45 -4.93 120.40 121.82 3lqs s VAL 34 Ca -0.12 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 3lqs s VAL 34 Cb -0.15 -1.59 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 3lqs s VAL 34 CO 0.01 0.51 0.84 -0.75 0.00 0.00 0.00 175.10 175.72 3lqs s LYS 35 N 0.29 4.66 -0.12 2.72 2.47 -1.26 -0.32 119.74 128.18 3lqs s LYS 35 Ca -0.14 1.27 0.02 0.00 -1.56 0.00 0.00 55.97 55.56 3lqs s LYS 35 Cb -0.16 -3.23 -0.00 0.00 -1.46 0.00 0.00 37.83 32.97 3lqs s LYS 35 CO 0.07 0.53 -0.20 0.08 0.16 0.00 0.00 175.35 175.99 3lqs s VAL 36 N -1.20 2.42 -0.14 4.02 1.01 0.28 -1.22 120.40 125.57 3lqs s VAL 36 Ca 0.39 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3lqs s VAL 36 Cb -0.24 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3lqs s VAL 36 CO 0.28 0.54 -0.20 -0.31 0.00 0.00 0.00 175.10 175.42 3lqs s TYR 37 N 0.40 2.51 -1.54 5.22 2.02 0.22 -1.55 117.35 124.62 3lqs s TYR 37 Ca -0.15 -1.30 -0.00 0.00 -0.37 0.00 0.00 57.07 55.25 3lqs s TYR 37 Cb -0.17 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 3lqs s TYR 37 CO 0.07 -0.62 0.04 0.09 -1.57 0.00 0.00 175.55 173.55 3lqs n ASN 38 N 4.24 0.84 0.00 2.29 3.02 -0.69 -0.95 115.26 124.01 3lqs n ASN 38 Ca -0.20 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 3lqs n ASN 38 Cb 0.51 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 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 -2.53 1.89 3.49 7.41 0.00 0.13 -4.95 105.19 110.62 3lqs n GLY 39 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 3.42 0.03 1.61 2.02 -0.12 -5.02 118.70 120.50 3lqs s GLU 40 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.13 3lqs s GLU 40 Cb 0.00 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 3lqs s GLU 40 CO 0.00 0.33 1.22 -1.64 0.02 0.00 0.00 175.26 175.18 3lqs s MET 41 N 0.10 4.40 -0.09 1.61 -1.94 -1.26 -0.61 119.30 121.51 3lqs s MET 41 Ca -0.02 1.77 -0.20 0.00 -1.71 0.00 0.00 55.69 55.53 3lqs s MET 41 Cb -0.14 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 3lqs s MET 41 CO 0.03 -0.33 0.54 0.12 -0.01 0.00 0.00 175.02 175.38 3lqs s PHE 42 N 1.42 3.55 -1.69 -0.03 5.36 -0.36 -4.36 117.98 121.87 3lqs s PHE 42 Ca 0.59 1.01 -0.18 0.00 -0.96 0.00 0.00 56.93 57.39 3lqs s PHE 42 Cb -0.29 -2.61 0.15 0.00 -0.34 0.00 0.00 43.02 39.93 3lqs s PHE 42 CO 0.27 0.17 0.78 0.25 -1.46 0.00 0.00 175.22 175.24 3lqs n THR 43 N 3.58 -1.14 -0.18 0.12 -2.24 -1.26 -4.51 114.28 108.64 3lqs n THR 43 Ca -0.06 -0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 3lqs n THR 43 Cb 0.51 -1.76 0.19 0.00 -2.10 0.00 0.00 70.33 67.18 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 1.22 -0.59 2.28 3.04 -1.94 -2.46 116.25 116.27 3lqs h VAL 44 Ca -0.59 -0.67 -0.00 0.00 -1.01 0.00 0.00 66.70 64.42 3lqs h VAL 44 Cb 1.38 0.45 -0.03 0.00 -2.01 0.00 0.00 31.29 31.08 3lqs h VAL 44 CO 0.77 0.27 0.35 0.78 -1.01 0.00 0.00 177.57 178.74 3lqs h ASN 45 N 0.91 0.71 -0.74 3.17 4.21 -1.95 -0.41 115.58 121.48 3lqs h ASN 45 Ca 0.22 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.63 3lqs h ASN 45 Cb 0.16 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 3lqs h ASN 45 CO -0.02 0.56 0.33 -0.33 -1.29 0.00 0.00 177.43 176.68 3lqs h GLU 46 N 0.79 1.08 -0.46 0.81 3.07 -1.86 -1.08 114.58 116.94 3lqs h GLU 46 Ca 0.21 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 3lqs h GLU 46 Cb -0.01 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 3lqs h GLU 46 CO -0.04 0.87 -0.02 0.45 -1.40 0.00 0.00 179.01 178.87 3lqs h HIS 47 N 1.05 0.90 -0.62 4.33 3.86 -1.12 -1.40 115.15 122.15 3lqs h HIS 47 Ca 0.25 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3lqs h HIS 47 Cb 0.16 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 3lqs h HIS 47 CO 0.01 0.88 0.36 0.82 0.86 0.00 0.00 177.93 180.86 3lqs h ILE 48 N 0.67 1.19 -0.42 2.45 2.04 -0.90 -0.14 117.51 122.39 3lqs h ILE 48 Ca 0.13 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3lqs h ILE 48 Cb 0.53 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3lqs h ILE 48 CO 0.03 0.20 0.22 0.44 0.00 0.00 0.00 178.15 179.04 3lqs h ASP 49 N 0.85 0.32 -0.59 1.72 3.32 -1.10 -2.12 116.42 118.82 3lqs h ASP 49 Ca 0.22 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3lqs h ASP 49 Cb 0.01 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3lqs h ASP 49 CO -0.04 0.23 0.05 -0.09 -1.72 0.00 0.00 179.24 177.67 3lqs h ARG 50 N 0.44 1.03 -0.33 3.56 2.43 -0.90 -0.63 114.38 119.98 3lqs h ARG 50 Ca 0.18 -0.29 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3lqs h ARG 50 Cb 0.08 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 3lqs h ARG 50 CO -0.12 0.98 -0.08 1.25 -1.51 0.00 0.00 179.97 180.49 3lqs h LEU 51 N 0.96 -0.30 -0.97 3.80 5.85 -0.78 0.10 115.31 123.97 3lqs h LEU 51 Ca 0.18 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 3lqs h LEU 51 Cb 0.48 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3lqs h LEU 51 CO 0.02 -0.11 -0.24 1.88 -0.34 0.00 0.00 178.44 179.65 3lqs h TYR 52 N 0.00 0.51 -0.36 1.25 -1.99 -1.18 -0.05 116.97 115.15 3lqs h TYR 52 Ca 0.16 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 3lqs h TYR 52 Cb 0.24 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 3lqs h TYR 52 CO -0.31 0.67 -0.04 0.00 -0.00 0.00 0.00 178.16 178.48 3lqs h ALA 53 N 1.34 0.49 -0.22 3.88 0.00 -0.78 -0.77 119.26 123.20 3lqs h ALA 53 Ca 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3lqs h ALA 53 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3lqs h ALA 53 CO 0.05 0.30 0.13 0.77 0.00 0.00 0.00 179.25 180.49 3lqs h SER 54 N 0.47 0.27 -0.43 0.00 0.02 -0.57 -1.21 113.55 112.10 3lqs h SER 54 Ca 0.10 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3lqs h SER 54 Cb 0.52 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 3lqs h SER 54 CO 0.03 0.26 0.19 0.00 -1.14 0.00 0.00 176.83 176.16 3lqs h ALA 55 N 1.02 0.52 -0.43 3.77 0.00 -0.94 -2.50 119.26 120.71 3lqs h ALA 55 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3lqs h ALA 55 Cb 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3lqs h ALA 55 CO -0.01 -0.18 0.05 1.49 0.00 0.00 0.00 179.25 180.60 3lqs h GLU 56 N 0.39 0.66 0.00 0.00 4.81 -0.88 -0.24 114.58 119.32 3lqs h GLU 56 Ca 0.19 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3lqs h GLU 56 Cb 0.13 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3lqs h GLU 56 CO -0.16 0.64 -0.02 0.87 -0.73 0.00 0.00 179.01 179.62 3lqs h LYS 57 N 0.63 0.00 -0.16 1.92 1.57 -0.76 -1.74 116.57 118.03 3lqs h LYS 57 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3lqs h LYS 57 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3lqs h LYS 57 CO 0.01 0.02 0.00 0.44 -0.57 0.00 0.00 179.45 179.34 3lqs n ILE 58 N -3.95 1.61 -3.59 1.86 -5.35 -0.84 -5.00 119.36 104.10 3lqs n ILE 58 Ca -0.03 -1.58 -0.25 0.00 -0.27 0.00 0.00 62.75 60.62 3lqs n ILE 58 Cb 0.10 0.09 0.07 0.00 -1.74 0.00 0.00 39.64 38.16 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 -0.49 -7.43 -3.48 6.28 1.74 -0.54 -5.00 116.66 107.74 3lqs n ARG 59 Ca 0.13 0.81 -0.37 0.00 -0.77 0.00 0.00 57.85 57.65 3lqs n ARG 59 Cb 0.58 -5.83 -0.07 0.00 -1.02 0.00 0.00 32.46 26.13 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 -3.30 5.25 -0.40 0.55 1.01 -0.21 -5.00 121.20 119.10 3lqs s ILE 60 Ca 0.57 0.68 -0.14 0.00 0.00 0.00 0.00 60.65 61.76 3lqs s ILE 60 Cb -0.26 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.54 3lqs s ILE 60 CO 0.71 0.40 0.29 -0.89 0.00 0.00 0.00 174.94 175.44 3lqs s THR 61 N 0.31 5.25 0.07 2.92 2.01 -1.26 -4.00 115.64 120.95 3lqs s THR 61 Ca 0.20 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 3lqs s THR 61 Cb -0.14 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 3lqs s THR 61 CO 0.07 -0.25 1.25 -0.63 -0.69 0.00 0.00 174.62 174.37 3lqs s ILE 62 N 1.69 3.85 -1.56 1.82 1.01 -1.26 -4.77 121.20 121.98 3lqs s ILE 62 Ca 0.05 1.32 0.29 0.00 0.00 0.00 0.00 60.65 62.31 3lqs s ILE 62 Cb -0.19 -3.85 0.57 0.00 0.01 0.00 0.00 42.46 39.01 3lqs s ILE 62 CO 0.10 0.10 2.00 -0.81 0.00 0.00 0.00 174.94 176.33 3lqs n PRO 63 N 3.96 0.52 -4.25 2.79 -0.04 -1.26 -4.81 135.00 131.91 3lqs n PRO 63 Ca 0.10 0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.29 3lqs n PRO 63 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.44 2.71 0.85 0.54 2.02 -1.26 -5.13 117.35 114.64 3lqs s TYR 64 Ca 0.31 -0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 3lqs s TYR 64 Cb 0.19 -1.35 0.10 0.00 -0.40 0.00 0.00 41.96 40.50 3lqs s TYR 64 CO 0.41 0.48 1.09 0.95 -1.57 0.00 0.00 175.55 176.92 3lqs s THR 65 N -1.54 2.91 0.36 -0.71 -4.23 -1.26 -4.84 115.64 106.33 3lqs s THR 65 Ca 0.24 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 3lqs s THR 65 Cb -0.10 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.17 3lqs s THR 65 CO 0.15 -0.38 1.96 0.11 -0.54 0.00 0.00 174.62 175.92 3lqs h LYS 66 N -1.39 0.59 -0.54 3.99 1.57 -1.99 -0.94 116.57 117.87 3lqs h LYS 66 Ca -0.47 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.19 3lqs h LYS 66 Cb 1.26 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3lqs h LYS 66 CO 0.54 0.49 0.19 -0.44 -0.57 0.00 0.00 179.45 179.66 3lqs h ASP 67 N 0.59 0.77 -0.31 0.86 3.32 -1.99 0.68 116.42 120.34 3lqs h ASP 67 Ca 0.15 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3lqs h ASP 67 Cb 0.12 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3lqs h ASP 67 CO -0.01 0.75 -0.14 0.50 -1.72 0.00 0.00 179.24 178.62 3lqs h LYS 68 N 0.74 0.64 -0.62 3.56 1.63 -1.84 -1.85 116.57 118.84 3lqs h LYS 68 Ca 0.18 -0.28 0.07 0.00 -0.85 0.00 0.00 60.65 59.77 3lqs h LYS 68 Cb 0.24 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.79 3lqs h LYS 68 CO -0.01 0.86 0.31 0.35 -3.45 0.00 0.00 179.45 177.51 3lqs h PHE 69 N 0.40 0.57 -0.70 1.91 3.04 -1.02 -1.09 116.94 120.06 3lqs h PHE 69 Ca 0.07 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.07 3lqs h PHE 69 Cb 0.66 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 3lqs h PHE 69 CO 0.06 0.25 0.45 1.25 -2.02 0.00 0.00 178.31 178.29 3lqs h HIS 70 N 0.57 0.84 -0.29 0.41 2.76 -0.68 -1.91 115.15 116.86 3lqs h HIS 70 Ca 0.29 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.36 3lqs h HIS 70 Cb 0.23 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3lqs h HIS 70 CO -0.10 0.50 -0.30 0.37 -1.30 0.00 0.00 177.93 177.09 3lqs h GLN 71 N 0.89 0.60 -0.59 5.26 5.75 -0.72 -1.79 115.11 124.51 3lqs h GLN 71 Ca 0.27 -0.26 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3lqs h GLN 71 Cb -0.03 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3lqs h GLN 71 CO -0.09 0.83 0.38 -0.07 -2.65 0.00 0.00 178.83 177.23 3lqs h LEU 72 N 0.51 0.64 -0.55 -2.39 3.38 -0.81 -0.53 115.31 115.56 3lqs h LEU 72 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3lqs h LEU 72 Cb 0.78 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3lqs h LEU 72 CO 0.06 0.45 0.29 -0.07 0.09 0.00 0.00 178.44 179.26 3lqs h LEU 73 N 0.76 0.70 -0.39 1.67 3.38 -0.98 0.11 115.31 120.57 3lqs h LEU 73 Ca 0.23 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3lqs h LEU 73 Cb -0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3lqs h LEU 73 CO -0.07 0.61 0.20 0.45 0.09 0.00 0.00 178.44 179.72 3lqs h HIS 74 N 0.74 0.36 -0.90 1.13 3.86 -1.05 -0.32 115.15 118.97 3lqs h HIS 74 Ca 0.19 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3lqs h HIS 74 Cb 0.08 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 3lqs h HIS 74 CO -0.01 0.19 0.51 0.93 0.86 0.00 0.00 177.93 180.41 3lqs h GLU 75 N 0.40 1.25 -0.48 2.45 5.08 -0.72 -1.63 114.58 120.93 3lqs h GLU 75 Ca 0.16 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3lqs h GLU 75 Cb 0.06 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3lqs h GLU 75 CO -0.11 0.90 0.12 1.25 -1.00 0.00 0.00 179.01 180.17 3lqs h LEU 76 N 1.26 0.73 -0.33 1.33 5.85 -0.23 -1.77 115.31 122.14 3lqs h LEU 76 Ca 0.32 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3lqs h LEU 76 Cb -0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3lqs h LEU 76 CO -0.05 0.77 0.20 0.58 -0.34 0.00 0.00 178.44 179.60 3lqs h VAL 77 N 0.65 1.11 -0.00 1.05 2.07 -0.88 -2.59 116.25 117.66 3lqs h VAL 77 Ca 0.15 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3lqs h VAL 77 Cb 0.33 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3lqs h VAL 77 CO 0.00 0.11 -0.01 -0.33 0.02 0.00 0.00 177.57 177.36 3lqs h GLU 78 N 0.43 -0.01 -0.77 1.57 5.08 -1.21 -1.82 114.58 117.85 3lqs h GLU 78 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3lqs h GLU 78 Cb -0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3lqs h GLU 78 CO -0.02 -0.01 0.41 0.87 -1.00 0.00 0.00 179.01 179.25 3lqs h LYS 79 N -0.01 1.07 -0.00 2.33 1.79 -1.32 -2.42 116.57 118.01 3lqs h LYS 79 Ca 0.00 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3lqs h LYS 79 Cb 0.02 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 3lqs h LYS 79 CO -0.01 0.80 -0.18 0.09 -1.08 0.00 0.00 179.45 179.07 3lqs n ASN 80 N -4.34 0.40 -3.78 0.86 3.02 -0.98 -4.90 115.26 105.54 3lqs n ASN 80 Ca 0.08 -0.28 -0.28 0.00 -0.03 0.00 0.00 54.58 54.06 3lqs n ASN 80 Cb 0.11 -0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.18 -5.67 -2.07 3.52 1.02 -0.72 -4.91 120.64 110.63 3lqs n GLU 81 Ca 0.11 0.64 -0.42 0.00 -0.02 0.00 0.00 57.16 57.47 3lqs n GLU 81 Cb 0.31 -5.54 -0.03 0.00 -0.02 0.00 0.00 31.44 26.16 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 -7.20 4.36 0.00 -4.62 2.96 -1.01 -4.95 118.68 108.22 3lqs s LEU 82 Ca 0.62 2.38 0.00 0.00 -0.22 0.00 0.00 54.13 56.90 3lqs s LEU 82 Cb -0.30 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.81 3lqs s LEU 82 CO 0.76 -0.77 0.00 -3.20 -1.32 0.00 0.00 176.35 171.83 3lqs n ASN 83 N 4.75 0.00 -3.99 3.68 4.05 -1.26 -4.06 115.26 118.42 3lqs n ASN 83 Ca 0.14 0.01 -0.30 0.00 0.45 0.00 0.00 54.58 54.88 3lqs n ASN 83 Cb 0.41 -0.40 -0.16 0.00 1.23 0.00 0.00 39.78 40.86 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 -0.81 1.48 -0.20 -0.44 2.01 -1.26 0.19 115.64 116.61 3lqs s THR 84 Ca 0.00 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3lqs s THR 84 Cb 0.00 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 71.07 3lqs s THR 84 CO 0.00 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 3lqs n GLY 85 N 4.79 -0.74 3.25 4.40 0.00 -0.60 -0.27 105.19 116.02 3lqs n GLY 85 Ca -0.16 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 0.03 -0.16 1.61 -3.43 -0.26 -0.55 115.29 108.53 3lqs s HIS 86 Ca 0.00 -0.42 -0.05 0.00 -0.80 0.00 0.00 55.06 53.79 3lqs s HIS 86 Cb 0.00 0.05 -0.03 0.00 -1.43 0.00 0.00 32.58 31.17 3lqs s HIS 86 CO 0.00 -0.60 0.01 0.42 -2.00 0.00 0.00 174.74 172.56 3lqs s ILE 87 N -3.84 4.29 -0.13 -5.38 1.01 0.56 -1.76 121.20 115.94 3lqs s ILE 87 Ca 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 3lqs s ILE 87 Cb 0.04 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 3lqs s ILE 87 CO -0.11 0.50 -0.00 -0.47 0.00 0.00 0.00 174.94 174.86 3lqs s TYR 88 N 0.19 3.13 -0.04 3.97 5.04 0.56 -1.34 117.35 128.85 3lqs s TYR 88 Ca 0.01 -0.03 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 3lqs s TYR 88 Cb -0.13 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.27 3lqs s TYR 88 CO 0.02 0.20 0.17 -0.59 -1.34 0.00 0.00 175.55 174.01 3lqs s PHE 89 N -0.12 -0.12 0.04 4.97 -0.71 -0.80 -0.65 117.98 120.60 3lqs s PHE 89 Ca 0.04 0.28 -0.02 0.00 -1.04 0.00 0.00 56.93 56.19 3lqs s PHE 89 Cb -0.13 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 3lqs s PHE 89 CO 0.02 -0.17 -0.00 1.14 -1.34 0.00 0.00 175.22 174.87 3lqs s GLN 90 N -0.44 0.56 -0.06 1.99 -2.07 0.69 -0.75 119.66 119.58 3lqs s GLN 90 Ca -0.05 -1.03 0.02 0.00 -1.82 0.00 0.00 55.36 52.48 3lqs s GLN 90 Cb -0.04 0.20 0.01 0.00 -1.09 0.00 0.00 33.01 32.10 3lqs s GLN 90 CO 0.01 -0.11 -0.11 0.08 -1.32 0.00 0.00 175.29 173.84 3lqs s VAL 91 N -3.27 1.01 0.38 3.63 1.01 -0.03 -1.55 120.40 121.58 3lqs s VAL 91 Ca 0.01 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.66 3lqs s VAL 91 Cb 0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 3lqs s VAL 91 CO -0.08 0.33 0.11 0.42 0.00 0.00 0.00 175.10 175.88 3lqs s THR 92 N 0.71 2.52 0.17 3.92 -4.23 -0.30 -0.86 115.64 117.56 3lqs s THR 92 Ca -0.14 -1.80 0.34 0.00 -1.18 0.00 0.00 61.69 58.91 3lqs s THR 92 Cb -0.16 -2.93 0.39 0.00 1.34 0.00 0.00 72.50 71.15 3lqs s THR 92 CO 0.03 -0.10 2.02 -0.09 -0.54 0.00 0.00 174.62 175.95 3lqs h ARG 93 N 1.59 0.00 0.00 3.99 2.43 -1.70 -2.47 114.38 118.21 3lqs h ARG 93 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 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 0.68 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 179.56 3lqs n GLY 94 N -0.08 0.35 3.49 2.80 0.00 -1.26 -3.70 105.19 106.78 3lqs n GLY 94 Ca 0.00 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.33 3.83 -0.07 2.61 2.01 -1.26 -0.76 115.64 121.67 3lqs s THR 95 Ca 0.00 -0.38 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 3lqs s THR 95 Cb 0.00 -2.67 0.08 0.00 0.01 0.00 0.00 72.50 69.92 3lqs s THR 95 CO 0.00 0.50 0.75 -0.55 -0.69 0.00 0.00 174.62 174.63 3lqs s SER 96 N 0.33 -0.59 0.14 3.53 0.15 -1.06 -4.91 113.70 111.28 3lqs s SER 96 Ca -0.04 0.64 -0.34 0.00 0.70 0.00 0.00 55.95 56.90 3lqs s SER 96 Cb -0.14 0.49 -0.16 0.00 -1.71 0.00 0.00 66.02 64.49 3lqs s SER 96 CO 0.03 -0.56 1.12 -2.65 1.20 0.00 0.00 173.24 172.38 3lqs n PRO 97 N 0.84 0.92 -1.68 5.44 -0.02 -1.26 -4.73 135.00 134.51 3lqs n PRO 97 Ca -0.17 0.33 -0.44 0.00 -2.02 0.00 0.00 63.50 61.19 3lqs n PRO 97 Cb 0.57 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.75 2.57 -3.57 -0.52 0.63 -1.26 -4.97 116.66 111.30 3lqs n ARG 98 Ca 0.16 0.94 -0.17 0.00 -0.92 0.00 0.00 57.85 57.86 3lqs n ARG 98 Cb 0.22 -2.83 -0.06 0.00 0.45 0.00 0.00 32.46 30.24 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 3.44 -1.67 0.06 5.13 0.00 -1.26 -5.09 121.76 122.38 3lqs s ALA 99 Ca 0.87 1.36 -0.21 0.00 0.00 0.00 0.00 51.96 53.98 3lqs s ALA 99 Cb -0.55 -0.22 -0.12 0.00 0.00 0.00 0.00 23.12 22.23 3lqs s ALA 99 CO 0.43 -0.35 1.50 0.45 0.00 0.00 0.00 175.76 177.78 3lqs h HIS 100 N 3.49 0.29 -4.22 0.00 3.86 -2.02 -3.45 115.15 113.09 3lqs h HIS 100 Ca -0.28 -0.05 -0.51 0.00 -1.16 0.00 0.00 60.37 58.37 3lqs h HIS 100 Cb 1.15 -0.08 0.18 0.00 1.06 0.00 0.00 27.41 29.73 3lqs h HIS 100 CO 0.39 0.48 0.23 1.14 0.86 0.00 0.00 177.93 181.04 3lqs s GLN 101 N -5.01 1.15 0.54 2.45 0.00 -1.26 -4.95 119.66 112.58 3lqs s GLN 101 Ca -0.14 1.43 -0.21 0.00 -0.00 0.00 0.00 55.36 56.44 3lqs s GLN 101 Cb 0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 33.01 31.27 3lqs s GLN 101 CO 0.72 -2.50 1.25 -0.06 0.00 0.00 0.00 175.29 174.69 3lqs s PHE 102 N -2.69 2.50 0.98 9.60 0.08 -1.26 -5.02 117.98 122.17 3lqs s PHE 102 Ca 0.66 1.47 -0.16 0.00 0.12 0.00 0.00 56.93 59.02 3lqs s PHE 102 Cb -0.22 -3.56 0.21 0.00 -0.57 0.00 0.00 43.02 38.88 3lqs s PHE 102 CO 0.58 -2.23 1.30 -1.25 -0.10 0.00 0.00 175.22 173.52 3lqs s PRO 103 N -2.99 0.47 0.42 0.24 0.04 -1.26 -5.02 135.00 126.90 3lqs s PRO 103 Ca 0.71 -0.37 -0.26 0.00 0.04 0.00 0.00 61.00 61.12 3lqs s PRO 103 Cb -0.33 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 3lqs s PRO 103 CO 0.38 -2.54 1.43 -2.00 0.04 0.00 0.00 177.00 174.32 3lqs s GLU 104 N -5.84 3.85 0.00 4.56 2.56 -1.26 -4.83 118.70 117.74 3lqs s GLU 104 Ca 0.74 2.43 0.01 0.00 0.00 0.00 0.00 54.97 58.14 3lqs s GLU 104 Cb -0.04 -2.76 0.04 0.00 2.00 0.00 0.00 34.13 33.36 3lqs s GLU 104 CO 0.53 -0.69 0.44 0.09 -0.56 0.00 0.00 175.26 175.07 3lqs n ASN 105 N 0.04 0.00 0.06 -1.70 3.02 -1.26 -0.19 115.26 115.23 3lqs n ASN 105 Ca 0.04 -0.03 0.11 0.00 -0.03 0.00 0.00 54.58 54.67 3lqs n ASN 105 Cb 0.41 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.03 3lqs n ASN 105 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3lqs n THR 106 N -0.90 0.67 -3.20 3.41 5.66 -1.26 -4.78 114.28 113.86 3lqs n THR 106 Ca 0.00 0.09 -0.39 0.00 -3.05 0.00 0.00 64.05 60.70 3lqs n THR 106 Cb 0.00 -0.87 -0.06 0.00 -1.55 0.00 0.00 70.33 67.86 3lqs n THR 106 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3lqs s VAL 107 N -3.12 5.10 0.03 1.08 1.01 0.73 -5.06 120.40 120.17 3lqs s VAL 107 Ca 0.08 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 3lqs s VAL 107 Cb 0.12 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 3lqs s VAL 107 CO 0.42 0.20 0.51 -1.59 0.00 0.00 0.00 175.10 174.65 3lqs s LYS 108 N 1.37 4.12 0.82 2.72 -2.85 -1.26 -4.92 119.74 119.73 3lqs s LYS 108 Ca 0.27 0.61 -0.13 0.00 -1.00 0.00 0.00 55.97 55.73 3lqs s LYS 108 Cb -0.16 -3.25 0.08 0.00 -2.06 0.00 0.00 37.83 32.44 3lqs s LYS 108 CO 0.11 0.61 1.09 -2.30 0.10 0.00 0.00 175.35 174.96 3lqs n PRO 109 N 1.92 0.11 -4.30 1.78 -0.02 -1.24 -4.27 135.00 128.98 3lqs n PRO 109 Ca -0.11 0.11 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 3lqs n PRO 109 Cb 0.51 -2.35 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 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 -2.16 3.87 -0.15 -1.45 1.01 -0.93 -4.83 120.40 115.75 3lqs s VAL 110 Ca 0.71 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 3lqs s VAL 110 Cb -0.29 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3lqs s VAL 110 CO 0.53 0.47 -0.11 -0.63 0.00 0.00 0.00 175.10 175.36 3lqs s ILE 111 N 0.58 3.13 -0.04 2.22 1.01 -1.26 -1.15 121.20 125.69 3lqs s ILE 111 Ca -0.02 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3lqs s ILE 111 Cb -0.14 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 3lqs s ILE 111 CO 0.02 0.50 -0.16 -0.63 0.00 0.00 0.00 174.94 174.67 3lqs s ILE 112 N 0.60 1.36 -0.05 2.92 -1.09 -0.59 -0.94 121.20 123.40 3lqs s ILE 112 Ca -0.07 -0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 57.60 3lqs s ILE 112 Cb -0.15 -1.17 0.01 0.00 -1.58 0.00 0.00 42.46 39.57 3lqs s ILE 112 CO 0.03 0.39 0.17 -0.83 -1.23 0.00 0.00 174.94 173.47 3lqs s GLY 113 N -0.02 -0.10 0.23 6.18 0.00 -0.46 -0.23 107.32 112.92 3lqs s GLY 113 Ca -0.02 0.39 -0.17 0.00 0.00 0.00 0.00 44.72 44.91 3lqs s GLY 113 CO 0.02 0.30 0.57 -2.52 0.00 0.00 0.00 173.10 171.47 3lqs s TYR 114 N -0.17 -0.02 0.26 1.90 1.13 0.18 -0.07 117.35 120.56 3lqs s TYR 114 Ca -0.03 -0.36 0.10 0.00 -1.41 0.00 0.00 57.07 55.37 3lqs s TYR 114 Cb -0.02 0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 41.22 3lqs s TYR 114 CO 0.00 -1.03 -0.07 0.95 -2.51 0.00 0.00 175.55 172.90 3lqs s THR 115 N -3.92 3.14 -0.11 -3.49 -4.23 -1.26 -0.33 115.64 105.44 3lqs s THR 115 Ca 0.13 -2.05 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 3lqs s THR 115 Cb -0.02 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.20 3lqs s THR 115 CO 0.03 -0.37 0.26 -0.75 -0.54 0.00 0.00 174.62 173.26 3lqs s LYS 116 N -3.57 0.24 0.15 3.99 2.20 -0.72 -4.97 119.74 117.05 3lqs s LYS 116 Ca 0.31 0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 56.15 3lqs s LYS 116 Cb -0.06 -0.08 -0.07 0.00 -1.51 0.00 0.00 37.83 36.11 3lqs s LYS 116 CO 0.18 -0.15 1.09 -2.00 -0.36 0.00 0.00 175.35 174.12 3lqs s GLU 117 N 1.15 4.58 -0.30 4.03 2.56 -1.26 -1.11 118.70 128.35 3lqs s GLU 117 Ca -0.08 1.69 -0.06 0.00 0.00 0.00 0.00 54.97 56.52 3lqs s GLU 117 Cb -0.09 -3.30 0.19 0.00 2.00 0.00 0.00 34.13 32.92 3lqs s GLU 117 CO -0.08 0.05 0.80 1.21 -0.56 0.00 0.00 175.26 176.67 3lqs s ASN 118 N 0.06 -1.00 0.79 -1.70 2.47 0.63 -4.89 114.94 111.31 3lqs s ASN 118 Ca 0.50 0.55 -0.13 0.00 0.42 0.00 0.00 52.86 54.19 3lqs s ASN 118 Cb -0.29 1.80 0.08 0.00 -1.45 0.00 0.00 41.25 41.39 3lqs s ASN 118 CO 0.34 -0.19 1.20 -2.16 -3.72 0.00 0.00 177.10 172.57 3lqs s PRO 119 N 2.90 1.74 0.38 0.43 0.04 -1.26 -3.28 135.00 135.95 3lqs s PRO 119 Ca 0.12 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 3lqs s PRO 119 Cb -0.12 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 3lqs s PRO 119 CO -0.18 -2.13 1.32 0.54 0.04 0.00 0.00 177.00 176.60 3lqs n ARG 120 N -3.23 2.15 -1.94 4.56 1.74 -1.26 -4.88 116.66 113.80 3lqs n ARG 120 Ca 0.13 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.55 3lqs n ARG 120 Cb 0.51 -2.42 -0.00 0.00 -1.02 0.00 0.00 32.46 29.53 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 0.31 3.35 -0.29 5.56 -0.04 -1.26 -4.77 135.00 137.86 3lqs n PRO 121 Ca 0.05 -2.98 0.02 0.00 -0.04 0.00 0.00 63.50 60.55 3lqs n PRO 121 Cb 0.38 -3.06 0.22 0.00 -0.04 0.00 0.00 33.50 31.01 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 8.58 0.93 -0.35 1.53 3.38 -1.99 -1.96 115.31 125.43 3lqs h LEU 122 Ca 0.54 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.48 3lqs h LEU 122 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3lqs h LEU 122 CO 1.75 0.63 0.13 -0.08 0.09 0.00 0.00 178.44 180.95 3lqs h GLU 123 N 1.07 0.53 -0.79 1.13 4.81 -2.00 -1.70 114.58 117.63 3lqs h GLU 123 Ca 0.36 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3lqs h GLU 123 Cb 0.08 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3lqs h GLU 123 CO -0.12 0.53 0.51 -0.91 -0.73 0.00 0.00 179.01 178.29 3lqs h ASN 124 N 0.41 0.92 -0.57 1.04 -0.26 -1.73 -0.61 115.58 114.78 3lqs h ASN 124 Ca 0.11 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 3lqs h ASN 124 Cb 0.21 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 3lqs h ASN 124 CO -0.01 0.68 0.25 -0.07 -1.06 0.00 0.00 177.43 177.22 3lqs h LEU 125 N 1.07 0.79 0.02 1.61 3.38 -1.02 -0.10 115.31 121.06 3lqs h LEU 125 Ca 0.29 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3lqs h LEU 125 Cb -0.10 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.46 3lqs h LEU 125 CO -0.06 0.71 -0.28 -0.08 0.09 0.00 0.00 178.44 178.82 3lqs h GLU 126 N 0.86 0.15 0.00 1.13 4.81 -1.08 -3.41 114.58 117.05 3lqs h GLU 126 Ca 0.21 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3lqs h GLU 126 Cb 0.15 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3lqs h GLU 126 CO -0.02 0.99 -1.86 1.63 -0.73 0.00 0.00 179.01 179.03 3lqs n LYS 127 N -4.47 0.65 0.00 1.92 5.02 -0.26 -4.86 118.16 116.16 3lqs n LYS 127 Ca -0.11 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 3lqs n LYS 127 Cb 0.55 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3lqs n LYS 127 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lqs n GLY 128 N 1.30 -0.91 3.19 0.72 0.00 -0.06 -4.78 105.19 104.66 3lqs n GLY 128 Ca -0.06 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.80 0.06 0.07 1.61 -7.23 -0.30 -4.81 120.40 108.00 3lqs s VAL 129 Ca 0.00 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 3lqs s VAL 129 Cb 0.00 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 3lqs s VAL 129 CO 0.00 -0.16 0.23 -0.54 -0.31 0.00 0.00 175.10 174.32 3lqs s LYS 130 N -4.12 3.47 0.28 4.82 1.02 -1.26 -1.48 119.74 122.47 3lqs s LYS 130 Ca 0.34 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.96 3lqs s LYS 130 Cb 0.07 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3lqs s LYS 130 CO 0.08 0.59 0.13 0.00 -0.92 0.00 0.00 175.35 175.23 3lqs s ALA 131 N -1.53 1.86 0.00 5.17 0.00 -0.29 -0.89 121.76 126.08 3lqs s ALA 131 Ca 0.36 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.50 3lqs s ALA 131 Cb -0.13 1.10 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3lqs s ALA 131 CO 0.28 -0.48 0.06 -0.08 0.00 0.00 0.00 175.76 175.53 3lqs s THR 132 N -3.68 0.08 0.12 0.00 -1.32 -0.91 -2.10 115.64 107.83 3lqs s THR 132 Ca 0.36 -0.63 -0.25 0.00 -1.21 0.00 0.00 61.69 59.97 3lqs s THR 132 Cb 0.06 -0.29 -0.07 0.00 -1.51 0.00 0.00 72.50 70.69 3lqs s THR 132 CO 0.15 -0.34 0.75 -0.36 -2.21 0.00 0.00 174.62 172.61 3lqs s PHE 133 N -1.10 3.85 -0.05 9.09 0.08 -1.26 -0.42 117.98 128.17 3lqs s PHE 133 Ca -0.12 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 58.45 3lqs s PHE 133 Cb -0.07 -2.76 0.02 0.00 -0.57 0.00 0.00 43.02 39.64 3lqs s PHE 133 CO 0.00 0.44 0.12 0.08 -0.10 0.00 0.00 175.22 175.76 3lqs s VAL 134 N -0.79 -0.03 0.29 -0.44 1.01 -0.55 -4.90 120.40 114.99 3lqs s VAL 134 Ca 0.36 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 3lqs s VAL 134 Cb -0.22 -0.19 -0.11 0.00 0.00 0.00 0.00 36.38 35.86 3lqs s VAL 134 CO 0.25 0.04 1.56 -0.70 0.00 0.00 0.00 175.10 176.25 3lqs s GLU 135 N 0.63 4.14 -0.56 2.72 2.56 -1.26 -2.39 118.70 124.54 3lqs s GLU 135 Ca -0.05 2.54 -0.27 0.00 0.00 0.00 0.00 54.97 57.19 3lqs s GLU 135 Cb -0.06 -3.03 0.03 0.00 2.00 0.00 0.00 34.13 33.07 3lqs s GLU 135 CO -0.03 -0.59 1.10 0.34 -0.56 0.00 0.00 175.26 175.52 3lqs s ASP 136 N 0.41 6.43 -0.14 -1.70 -1.08 0.67 -4.75 116.67 116.51 3lqs s ASP 136 Ca 0.62 -0.01 0.15 0.00 -0.52 0.00 0.00 52.55 52.79 3lqs s ASP 136 Cb -0.47 -2.51 0.53 0.00 -1.46 0.00 0.00 42.92 39.01 3lqs s ASP 136 CO 0.49 -1.38 1.44 2.30 0.52 0.00 0.00 175.17 178.55 3lqs n ILE 137 N 6.53 2.00 -1.62 4.11 -5.35 -1.26 -4.73 119.36 119.04 3lqs n ILE 137 Ca 0.07 -1.56 -0.29 0.00 -0.27 0.00 0.00 62.75 60.70 3lqs n ILE 137 Cb 0.49 -0.04 0.11 0.00 -1.74 0.00 0.00 39.64 38.46 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 -2.30 1.58 1.24 6.28 0.52 -1.26 -5.00 118.95 120.01 3lqs s ARG 138 Ca 0.40 0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 55.79 3lqs s ARG 138 Cb 0.30 -1.88 0.30 0.00 0.52 0.00 0.00 34.95 34.19 3lqs s ARG 138 CO 0.13 -1.91 1.02 1.67 0.02 0.00 0.00 175.30 176.23 3lqs s TRP 139 N -3.30 0.59 -1.03 -0.53 1.48 -1.26 -4.94 118.94 109.94 3lqs s TRP 139 Ca 0.62 0.78 0.16 0.00 -1.06 0.00 0.00 56.10 56.60 3lqs s TRP 139 Cb -0.14 -3.13 0.66 0.00 -1.16 0.00 0.00 33.47 29.70 3lqs s TRP 139 CO 0.53 -4.15 1.55 1.28 -4.06 0.00 0.00 176.95 172.10 3lqs n LEU 140 N -5.04 4.48 -2.82 -4.66 4.77 -1.26 -4.24 117.00 108.22 3lqs n LEU 140 Ca 0.09 -2.26 -0.26 0.00 -0.03 0.00 0.00 56.01 53.55 3lqs n LEU 140 Cb 0.58 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3lqs n LEU 140 CO 0.50 0.70 0.12 0.54 -1.33 0.00 0.00 177.39 177.92 3lqs n ARG 141 N 0.91 3.03 0.02 3.23 5.12 -1.26 -4.67 116.66 123.05 3lqs n ARG 141 Ca 0.23 -4.58 0.08 0.00 -1.93 0.00 0.00 57.85 51.65 3lqs n ARG 141 Cb 0.86 -2.16 0.33 0.00 -1.16 0.00 0.00 32.46 30.34 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 -3.39 0.00 2.03 -1.57 -2.98 116.42 110.52 3lqs h ASP 143 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 3lqs h ASP 143 Cb 0.26 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.66 3lqs h ASP 143 CO 0.00 0.00 -0.17 -0.63 -1.03 0.00 0.00 179.24 177.41 3lqs s ILE 144 N -3.51 5.19 -1.24 4.15 1.01 -0.93 -4.71 121.20 121.16 3lqs s ILE 144 Ca 0.02 0.83 -0.14 0.00 0.00 0.00 0.00 60.65 61.36 3lqs s ILE 144 Cb 0.09 -3.77 0.15 0.00 0.01 0.00 0.00 42.46 38.94 3lqs s ILE 144 CO 0.46 0.29 1.53 1.17 0.00 0.00 0.00 174.94 178.40 3lqs n LYS 145 N 4.08 3.34 -3.10 2.79 4.81 -1.26 -4.97 118.16 123.85 3lqs n LYS 145 Ca -0.08 -3.70 -0.18 0.00 -0.87 0.00 0.00 58.31 53.48 3lqs n LYS 145 Cb 0.51 -3.13 0.01 0.00 0.02 0.00 0.00 35.03 32.44 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 2.98 5.52 0.00 3.14 1.04 -1.26 -2.19 113.70 122.93 3lqs s SER 146 Ca 0.45 -0.51 0.31 0.00 0.48 0.00 0.00 55.95 56.68 3lqs s SER 146 Cb -0.01 -0.57 1.84 0.00 0.10 0.00 0.00 66.02 67.39 3lqs s SER 146 CO 0.02 -0.79 2.18 0.18 0.98 0.00 0.00 173.24 175.80 3lqs n LEU 147 N -1.84 0.00 -4.56 2.42 4.77 -0.60 -4.55 117.00 112.64 3lqs n LEU 147 Ca 0.08 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 3lqs n LEU 147 Cb 0.60 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3lqs n LEU 147 CO 0.40 -0.00 1.59 0.20 -1.33 0.00 0.00 177.39 178.24 3lqs s ASN 148 N -2.03 6.61 -0.06 -1.43 0.02 -1.26 -4.73 114.94 112.06 3lqs s ASN 148 Ca 0.46 -1.79 0.09 0.00 -1.02 0.00 0.00 52.86 50.59 3lqs s ASN 148 Cb 0.21 -2.56 0.14 0.00 0.02 0.00 0.00 41.25 39.07 3lqs s ASN 148 CO 0.37 -1.37 1.08 0.18 0.02 0.00 0.00 177.10 177.37 3lqs n LEU 149 N 8.55 2.19 0.05 0.60 4.77 -1.26 -4.77 117.00 127.12 3lqs n LEU 149 Ca 0.37 -2.52 -0.02 0.00 -0.03 0.00 0.00 56.01 53.81 3lqs n LEU 149 Cb 0.49 -0.21 0.24 0.00 -2.33 0.00 0.00 43.42 41.62 3lqs n LEU 149 CO 0.68 0.60 0.75 0.25 -1.33 0.00 0.00 177.39 178.34 3lqs h LEU 150 N 0.03 0.40 -0.60 2.23 5.85 -1.99 -0.08 115.31 121.16 3lqs h LEU 150 Ca 0.00 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3lqs h LEU 150 Cb 0.74 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3lqs h LEU 150 CO 0.00 0.65 0.31 1.23 -0.34 0.00 0.00 178.44 180.29 3lqs h GLY 151 N 1.01 0.90 1.31 3.75 0.00 -1.95 -2.06 103.07 106.04 3lqs h GLY 151 Ca 0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 3lqs h GLY 151 CO 0.05 0.41 -0.09 0.00 0.00 0.00 0.00 176.54 176.91 3lqs h ALA 152 N 1.14 0.98 -0.08 3.60 0.00 -1.76 -1.96 119.26 121.19 3lqs h ALA 152 Ca 0.21 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3lqs h ALA 152 Cb 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3lqs h ALA 152 CO -0.03 0.61 -0.11 0.28 0.00 0.00 0.00 179.25 180.00 3lqs h VAL 153 N 0.74 0.71 -0.49 0.00 2.07 -0.88 -0.60 116.25 117.81 3lqs h VAL 153 Ca 0.13 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 3lqs h VAL 153 Cb 0.57 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3lqs h VAL 153 CO 0.04 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.57 3lqs h LEU 154 N -0.14 0.76 -0.28 2.57 3.38 -1.21 -0.96 115.31 119.43 3lqs h LEU 154 Ca 0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3lqs h LEU 154 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3lqs h LEU 154 CO -0.16 0.82 -0.01 0.00 0.09 0.00 0.00 178.44 179.18 3lqs h ALA 155 N 1.27 0.38 -0.64 1.53 0.00 -1.22 -2.01 119.26 118.55 3lqs h ALA 155 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3lqs h ALA 155 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3lqs h ALA 155 CO 0.02 0.13 0.36 -0.22 0.00 0.00 0.00 179.25 179.54 3lqs h LYS 156 N 0.28 0.89 -0.33 0.00 1.63 -0.95 -2.04 116.57 116.06 3lqs h LYS 156 Ca 0.08 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3lqs h LYS 156 Cb 0.44 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 3lqs h LYS 156 CO 0.02 0.66 0.22 0.37 -3.45 0.00 0.00 179.45 177.27 3lqs h GLN 157 N 0.88 0.43 -0.63 1.90 5.75 -1.12 -0.30 115.11 122.01 3lqs h GLN 157 Ca 0.23 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.76 3lqs h GLN 157 Cb 0.02 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 3lqs h GLN 157 CO -0.04 0.29 0.34 1.49 -2.65 0.00 0.00 178.83 178.25 3lqs h GLU 158 N 0.45 0.61 -0.29 1.69 4.81 -1.19 0.12 114.58 120.77 3lqs h GLU 158 Ca 0.12 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3lqs h GLU 158 Cb -0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3lqs h GLU 158 CO -0.03 0.40 0.18 0.00 -0.73 0.00 0.00 179.01 178.84 3lqs h ALA 159 N 1.34 0.37 -0.69 2.92 0.00 -0.99 -2.54 119.26 119.68 3lqs h ALA 159 Ca 0.29 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3lqs h ALA 159 Cb 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3lqs h ALA 159 CO -0.19 -0.18 0.46 1.25 0.00 0.00 0.00 179.25 180.59 3lqs h HIS 160 N 0.38 0.84 0.00 0.00 -0.00 -0.35 0.34 115.15 116.37 3lqs h HIS 160 Ca 0.11 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 3lqs h HIS 160 Cb -0.03 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.09 3lqs h HIS 160 CO -0.06 0.51 -0.25 0.93 -0.00 0.00 0.00 177.93 179.05 3lqs h GLU 161 N 0.89 0.00 -0.50 5.26 5.08 -0.74 -2.69 114.58 121.89 3lqs h GLU 161 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3lqs h GLU 161 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3lqs h GLU 161 CO -0.07 0.25 0.00 1.63 -1.00 0.00 0.00 179.01 179.83 3lqs n LYS 162 N -3.43 2.24 -1.45 2.33 5.02 -0.61 -4.93 118.16 117.32 3lqs n LYS 162 Ca 0.00 -1.92 -0.10 0.00 -2.02 0.00 0.00 58.31 54.28 3lqs n LYS 162 Cb 0.44 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 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 1.36 0.91 3.88 0.72 0.00 -1.01 -5.03 105.19 106.02 3lqs n GLY 163 Ca 0.18 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 3.21 0.67 -3.45 0.00 3.20 -1.28 -3.28 116.97 116.04 3lqs h TYR 165 Ca -0.46 -0.35 -0.15 0.00 3.14 0.00 0.00 58.73 60.91 3lqs h TYR 165 Cb 1.16 -0.08 -0.22 0.00 1.54 0.00 0.00 36.73 39.14 3lqs h TYR 165 CO 0.61 1.17 -0.49 -2.00 -1.64 0.00 0.00 178.16 175.81 3lqs s GLU 166 N -3.32 0.43 -0.23 1.82 2.56 -1.24 -4.92 118.70 113.80 3lqs s GLU 166 Ca -0.06 -0.25 -0.13 0.00 0.00 0.00 0.00 54.97 54.53 3lqs s GLU 166 Cb 0.09 0.18 -0.04 0.00 2.00 0.00 0.00 34.13 36.35 3lqs s GLU 166 CO 0.87 -0.10 0.28 0.00 -0.56 0.00 0.00 175.26 175.75 3lqs s ALA 167 N -1.04 3.58 -0.27 6.30 0.00 -1.26 -2.13 121.76 126.93 3lqs s ALA 167 Ca -0.11 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 3lqs s ALA 167 Cb -0.06 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 3lqs s ALA 167 CO 0.01 -0.32 0.42 0.42 0.00 0.00 0.00 175.76 176.29 3lqs s ILE 168 N 1.34 5.14 0.30 0.00 1.01 0.44 -1.53 121.20 127.89 3lqs s ILE 168 Ca 0.13 0.64 -0.08 0.00 0.00 0.00 0.00 60.65 61.34 3lqs s ILE 168 Cb -0.14 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 3lqs s ILE 168 CO 0.07 0.11 0.60 -0.76 0.00 0.00 0.00 174.94 174.96 3lqs s LEU 169 N 2.15 4.04 -0.06 2.97 1.43 0.12 -1.48 118.68 127.85 3lqs s LEU 169 Ca 0.17 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.03 3lqs s LEU 169 Cb -0.16 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.40 3lqs s LEU 169 CO 0.10 -0.20 0.28 -1.38 0.23 0.00 0.00 176.35 175.37 3lqs s HIS 170 N -2.07 -0.23 -0.45 0.29 -3.43 -1.01 -1.71 115.29 106.69 3lqs s HIS 170 Ca 0.47 0.49 -0.12 0.00 -0.80 0.00 0.00 55.06 55.10 3lqs s HIS 170 Cb -0.11 0.08 0.09 0.00 -1.43 0.00 0.00 32.58 31.21 3lqs s HIS 170 CO 0.27 -0.25 0.34 1.03 -2.00 0.00 0.00 174.74 174.13 3lqs s ARG 171 N -0.53 2.76 -1.34 -0.38 1.81 0.03 -0.24 118.95 121.06 3lqs s ARG 171 Ca -0.06 -1.47 -0.02 0.00 -1.72 0.00 0.00 55.73 52.45 3lqs s ARG 171 Cb -0.04 -3.97 -0.00 0.00 -0.45 0.00 0.00 34.95 30.49 3lqs s ARG 171 CO 0.02 -1.04 0.55 -1.71 -0.68 0.00 0.00 175.30 172.44 3lqs n ASN 172 N 5.05 -1.07 0.00 0.23 5.15 -1.26 -1.76 115.26 121.60 3lqs n ASN 172 Ca -0.11 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 3lqs n ASN 172 Cb 0.43 -3.47 0.00 0.00 -0.53 0.00 0.00 39.78 36.21 3lqs n ASN 172 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3lqs n ASN 173 N -2.99 -1.09 -4.61 1.20 4.13 -1.26 -5.00 115.26 105.64 3lqs n ASN 173 Ca -0.29 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.57 3lqs n ASN 173 Cb 0.68 -1.09 -0.07 0.00 -1.54 0.00 0.00 39.78 37.75 3lqs n ASN 173 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3lqs s THR 174 N -2.57 5.05 0.15 3.41 2.01 -0.72 -0.68 115.64 122.29 3lqs s THR 174 Ca 0.00 0.89 -0.31 0.00 0.31 0.00 0.00 61.69 62.57 3lqs s THR 174 Cb 0.00 -3.86 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 3lqs s THR 174 CO 0.00 0.05 1.55 -0.69 -0.69 0.00 0.00 174.62 174.84 3lqs s VAL 175 N 2.36 2.72 0.00 3.82 1.01 0.27 -0.79 120.40 129.80 3lqs s VAL 175 Ca 0.22 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3lqs s VAL 175 Cb -0.16 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3lqs s VAL 175 CO 0.09 0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.58 3lqs n THR 176 N 4.00 0.00 -3.71 3.92 -2.24 -0.69 -4.54 114.28 111.02 3lqs n THR 176 Ca 0.14 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 3lqs n THR 176 Cb 0.39 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.16 0.28 -2.82 -0.78 0.28 -1.26 -4.54 120.64 110.64 3lqs n GLU 177 Ca 0.00 -1.02 -0.23 0.00 -0.16 0.00 0.00 57.16 55.75 3lqs n GLU 177 Cb 0.00 1.01 0.02 0.00 1.43 0.00 0.00 31.44 33.90 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 -1.80 1.62 0.53 -1.84 0.00 0.88 -0.71 107.32 106.01 3lqs s GLY 178 Ca 0.10 -1.06 0.19 0.00 0.00 0.00 0.00 44.72 43.96 3lqs s GLY 178 CO 0.07 -0.84 2.17 1.48 0.00 0.00 0.00 173.10 175.98 3lqs h SER 179 N 0.24 0.00 -0.55 1.64 4.64 -1.64 -3.17 113.55 114.71 3lqs h SER 179 Ca -0.45 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.59 3lqs h SER 179 Cb 1.26 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.00 3lqs h SER 179 CO 0.57 0.01 -0.99 -1.54 -0.87 0.00 0.00 176.83 174.01 3lqs n SER 180 N -4.34 0.91 -3.75 4.97 3.41 -1.26 -4.82 113.62 108.74 3lqs n SER 180 Ca -0.03 -2.32 -0.07 0.00 -0.26 0.00 0.00 58.87 56.19 3lqs n SER 180 Cb 0.10 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 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 -3.06 -0.22 0.21 4.04 1.04 -1.20 -4.76 113.70 109.75 3lqs s SER 181 Ca 0.25 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 56.04 3lqs s SER 181 Cb 0.39 0.74 -0.03 0.00 0.10 0.00 0.00 66.02 67.22 3lqs s SER 181 CO -0.03 -1.39 0.26 0.20 0.98 0.00 0.00 173.24 173.27 3lqs s ASN 182 N -2.94 6.00 -0.10 7.02 -0.87 -0.21 -0.09 114.94 123.75 3lqs s ASN 182 Ca 0.12 -0.01 0.04 0.00 -1.57 0.00 0.00 52.86 51.43 3lqs s ASN 182 Cb -0.06 -1.69 0.00 0.00 -0.02 0.00 0.00 41.25 39.48 3lqs s ASN 182 CO 0.08 -0.01 -0.22 -0.69 -2.57 0.00 0.00 177.10 173.69 3lqs s VAL 183 N -1.92 1.90 0.04 1.60 1.01 -1.26 -1.38 120.40 120.39 3lqs s VAL 183 Ca 0.33 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.47 3lqs s VAL 183 Cb -0.09 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3lqs s VAL 183 CO 0.27 0.52 -0.22 -0.36 0.00 0.00 0.00 175.10 175.31 3lqs s PHE 184 N 0.41 1.96 0.14 5.22 0.40 -0.20 -4.31 117.98 121.61 3lqs s PHE 184 Ca -0.18 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 55.85 3lqs s PHE 184 Cb -0.18 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 3lqs s PHE 184 CO 0.08 0.09 -0.20 0.20 0.70 0.00 0.00 175.22 176.09 3lqs s GLY 185 N -1.15 1.34 -0.06 4.36 0.00 -0.19 -1.73 107.32 109.89 3lqs s GLY 185 Ca 0.09 -1.39 0.04 0.00 0.00 0.00 0.00 44.72 43.46 3lqs s GLY 185 CO 0.02 -1.42 -0.19 -0.42 0.00 0.00 0.00 173.10 171.08 3lqs s ILE 186 N -1.67 1.61 -0.08 0.90 1.01 0.76 -0.42 121.20 123.32 3lqs s ILE 186 Ca 0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 3lqs s ILE 186 Cb -0.08 -1.39 0.04 0.00 0.01 0.00 0.00 42.46 41.04 3lqs s ILE 186 CO 0.06 0.46 0.18 -0.75 0.00 0.00 0.00 174.94 174.89 3lqs s LYS 187 N 0.14 0.13 -1.51 2.79 2.20 -0.90 -0.74 119.74 121.85 3lqs s LYS 187 Ca -0.08 0.44 -0.11 0.00 -0.36 0.00 0.00 55.97 55.86 3lqs s LYS 187 Cb -0.14 -0.16 0.08 0.00 -1.51 0.00 0.00 37.83 36.10 3lqs s LYS 187 CO 0.04 -0.17 0.85 -0.25 -0.36 0.00 0.00 175.35 175.45 3lqs n ASP 188 N 4.26 -3.48 -0.37 1.43 8.00 -1.26 -1.68 116.55 123.45 3lqs n ASP 188 Ca -0.25 -0.85 -0.05 0.00 0.71 0.00 0.00 54.79 54.35 3lqs n ASP 188 Cb 0.52 -3.63 -0.02 0.00 -0.02 0.00 0.00 41.12 37.97 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 -1.65 0.65 3.59 0.44 0.00 -1.26 -5.00 105.19 101.97 3lqs n GLY 189 Ca -0.05 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.84 3.75 -0.21 -0.61 1.01 -0.67 -4.29 121.20 118.34 3lqs s ILE 190 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 3lqs s ILE 190 Cb 0.00 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3lqs s ILE 190 CO 0.00 0.56 0.11 -0.22 0.00 0.00 0.00 174.94 175.39 3lqs s LEU 191 N -0.93 3.98 0.02 2.97 2.96 0.01 -2.12 118.68 125.57 3lqs s LEU 191 Ca 0.13 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.24 3lqs s LEU 191 Cb -0.11 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3lqs s LEU 191 CO 0.03 0.13 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.62 3lqs s TYR 192 N 0.68 2.36 -0.10 5.38 2.02 0.45 -0.66 117.35 127.48 3lqs s TYR 192 Ca 0.06 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 3lqs s TYR 192 Cb -0.13 -1.44 0.08 0.00 -0.40 0.00 0.00 41.96 40.07 3lqs s TYR 192 CO 0.01 0.09 0.72 -0.08 -1.57 0.00 0.00 175.55 174.72 3lqs s THR 193 N -0.76 0.00 0.36 -0.71 -1.32 -1.13 -1.02 115.64 111.06 3lqs s THR 193 Ca 0.11 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.31 3lqs s THR 193 Cb -0.10 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.78 3lqs s THR 193 CO 0.01 0.00 1.52 -2.28 -2.21 0.00 0.00 174.62 171.66 3lqs s HIS 194 N -0.89 2.62 0.77 9.09 2.46 -1.26 -2.19 115.29 125.89 3lqs s HIS 194 Ca -0.08 1.06 -0.13 0.00 0.47 0.00 0.00 55.06 56.38 3lqs s HIS 194 Cb -0.01 -4.04 0.06 0.00 -0.13 0.00 0.00 32.58 28.46 3lqs s HIS 194 CO 0.08 -3.18 1.17 -1.25 -2.47 0.00 0.00 174.74 169.09 3lqs s PRO 195 N -1.69 1.95 -1.05 2.88 0.04 -1.26 -4.86 135.00 131.01 3lqs s PRO 195 Ca 0.56 1.61 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 3lqs s PRO 195 Cb -0.47 -1.83 0.12 0.00 0.04 0.00 0.00 34.50 32.36 3lqs s PRO 195 CO 0.59 -1.95 1.31 0.00 0.04 0.00 0.00 177.00 177.00 3lqs s ALA 196 N -2.28 3.40 0.00 8.56 0.00 -1.26 -4.78 121.76 125.40 3lqs s ALA 196 Ca 0.70 -2.83 0.00 0.00 0.00 0.00 0.00 51.96 49.83 3lqs s ALA 196 Cb -0.25 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.66 3lqs s ALA 196 CO 0.49 -3.07 0.00 0.27 0.00 0.00 0.00 175.76 173.45 3lqs n ASN 197 N 6.91 1.05 0.00 0.00 0.23 -1.26 -5.01 115.26 117.18 3lqs n ASN 197 Ca 0.31 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.46 3lqs n ASN 197 Cb 0.48 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.77 3lqs n ASN 197 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3lqs n ASN 198 N 0.00 0.00 0.04 0.53 6.94 -1.26 -3.22 115.26 118.29 3lqs n ASN 198 Ca 0.00 -0.46 0.12 0.00 -0.02 0.00 0.00 54.58 54.22 3lqs n ASN 198 Cb 0.00 -0.09 0.12 0.00 -2.36 0.00 0.00 39.78 37.45 3lqs n ASN 198 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3lqs n MET 199 N -1.09 0.24 -4.04 -3.83 2.81 -1.26 -1.10 117.12 108.85 3lqs n MET 199 Ca 0.14 0.03 -0.08 0.00 -1.81 0.00 0.00 57.70 55.98 3lqs n MET 199 Cb 0.10 -1.61 -0.09 0.00 -0.71 0.00 0.00 33.22 30.91 3lqs n MET 199 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3lqs s ILE 200 N -3.15 0.17 0.11 2.02 -4.36 -1.20 -4.77 121.20 110.03 3lqs s ILE 200 Ca 0.06 -1.65 -0.30 0.00 -0.26 0.00 0.00 60.65 58.50 3lqs s ILE 200 Cb 0.15 -1.58 -0.06 0.00 1.25 0.00 0.00 42.46 42.22 3lqs s ILE 200 CO 0.75 -0.79 1.04 -0.22 0.24 0.00 0.00 174.94 175.96 3lqs s LEU 201 N -2.93 4.46 -1.12 0.37 0.20 -1.13 -2.99 118.68 115.55 3lqs s LEU 201 Ca 0.10 1.90 -0.21 0.00 0.69 0.00 0.00 54.13 56.61 3lqs s LEU 201 Cb 0.07 -3.59 0.04 0.00 -0.43 0.00 0.00 46.19 42.28 3lqs s LEU 201 CO -0.08 -0.19 1.63 -0.75 -0.29 0.00 0.00 176.35 176.67 3lqs s LYS 202 N 0.13 3.56 0.41 1.98 2.20 -1.26 -4.95 119.74 121.81 3lqs s LYS 202 Ca 0.50 -1.36 -0.26 0.00 -0.36 0.00 0.00 55.97 54.49 3lqs s LYS 202 Cb -0.26 -5.39 -0.10 0.00 -1.51 0.00 0.00 37.83 30.58 3lqs s LYS 202 CO 0.31 -2.46 1.39 0.41 -0.36 0.00 0.00 175.35 174.65 3lqs n GLY 203 N 6.29 0.89 0.27 5.54 0.00 -1.26 -4.93 105.19 111.99 3lqs n GLY 203 Ca 0.40 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.57 3lqs n GLY 203 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3lqs h ILE 204 N 2.42 1.25 -0.60 -0.61 1.08 -1.97 -2.31 117.51 116.77 3lqs h ILE 204 Ca -0.49 -0.91 -0.08 0.00 -0.39 0.00 0.00 64.86 62.99 3lqs h ILE 204 Cb 1.27 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 3lqs h ILE 204 CO 0.62 0.33 0.08 0.74 -0.69 0.00 0.00 178.15 179.23 3lqs h THR 205 N 0.82 1.26 -0.50 -0.27 2.02 -1.91 -1.17 112.91 113.16 3lqs h THR 205 Ca 0.18 -1.03 0.10 0.00 0.77 0.00 0.00 66.41 66.43 3lqs h THR 205 Cb 0.36 0.75 -0.10 0.00 -1.74 0.00 0.00 68.15 67.42 3lqs h THR 205 CO 0.00 0.38 -0.18 -0.09 0.37 0.00 0.00 175.52 176.00 3lqs h ARG 206 N 0.91 -0.06 -0.56 6.66 2.43 -1.87 -0.18 114.38 121.71 3lqs h ARG 206 Ca 0.18 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 3lqs h ARG 206 Cb 0.45 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3lqs h ARG 206 CO 0.02 -0.04 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.96 3lqs h ASP 207 N -0.06 0.97 -0.88 -3.80 3.32 -0.78 -1.60 116.42 113.59 3lqs h ASP 207 Ca 0.24 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3lqs h ASP 207 Cb 0.43 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3lqs h ASP 207 CO -0.55 1.05 0.55 0.58 -1.72 0.00 0.00 179.24 179.15 3lqs h VAL 208 N 0.90 1.24 -0.52 -1.35 2.07 -0.88 -1.95 116.25 115.77 3lqs h VAL 208 Ca 0.16 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 3lqs h VAL 208 Cb 0.57 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3lqs h VAL 208 CO 0.03 0.24 -0.06 0.58 0.02 0.00 0.00 177.57 178.38 3lqs h VAL 209 N 1.20 1.27 -0.64 2.57 2.07 -0.70 0.07 116.25 122.09 3lqs h VAL 209 Ca 0.32 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3lqs h VAL 209 Cb -0.08 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3lqs h VAL 209 CO -0.06 0.42 0.42 0.40 0.02 0.00 0.00 177.57 178.77 3lqs h ILE 210 N 0.83 1.16 -0.69 4.57 2.04 -1.20 0.03 117.51 124.26 3lqs h ILE 210 Ca 0.14 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3lqs h ILE 210 Cb 0.61 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3lqs h ILE 210 CO 0.04 0.16 0.45 0.00 0.00 0.00 0.00 178.15 178.80 3lqs h ALA 211 N 1.23 0.87 -0.76 1.87 0.00 -1.03 -1.13 119.26 120.32 3lqs h ALA 211 Ca 0.23 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3lqs h ALA 211 Cb -0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.37 3lqs h ALA 211 CO -0.05 0.28 0.47 0.00 0.00 0.00 0.00 179.25 179.95 3lqs h ALA 213 N 1.33 0.68 -0.60 0.00 0.00 -0.50 -1.90 119.26 118.27 3lqs h ALA 213 Ca 0.31 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3lqs h ALA 213 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3lqs h ALA 213 CO -0.13 0.31 0.39 -0.91 0.00 0.00 0.00 179.25 178.92 3lqs h ASN 214 N 0.70 0.68 -0.42 0.00 2.35 -0.90 0.71 115.58 118.70 3lqs h ASN 214 Ca 0.17 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3lqs h ASN 214 Cb 0.24 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3lqs h ASN 214 CO -0.01 0.49 0.23 -0.33 -1.65 0.00 0.00 177.43 176.15 3lqs h GLU 215 N 0.80 0.63 -0.63 0.81 5.08 -0.83 -2.28 114.58 118.16 3lqs h GLU 215 Ca 0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3lqs h GLU 215 Cb -0.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.04 3lqs h GLU 215 CO -0.05 0.48 0.00 0.44 -1.00 0.00 0.00 179.01 178.88 3lqs n ILE 216 N -4.40 1.39 -3.41 3.13 -5.35 -0.74 -4.96 119.36 105.03 3lqs n ILE 216 Ca 0.04 -0.95 -0.24 0.00 -0.27 0.00 0.00 62.75 61.32 3lqs n ILE 216 Cb 0.11 0.13 0.05 0.00 -1.74 0.00 0.00 39.64 38.20 3lqs n ILE 216 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3lqs n ASN 217 N 1.00 -5.94 -4.64 7.28 3.02 -0.68 -4.99 115.26 110.31 3lqs n ASN 217 Ca 0.22 -0.46 -0.38 0.00 -0.03 0.00 0.00 54.58 53.92 3lqs n ASN 217 Cb 0.72 -4.73 -0.09 0.00 -0.61 0.00 0.00 39.78 35.07 3lqs n ASN 217 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3lqs s MET 218 N -6.11 4.08 0.32 3.52 1.75 0.16 -5.03 119.30 117.99 3lqs s MET 218 Ca 0.48 -0.07 -0.29 0.00 -1.25 0.00 0.00 55.69 54.56 3lqs s MET 218 Cb -0.22 -3.58 -0.11 0.00 2.84 0.00 0.00 34.83 33.76 3lqs s MET 218 CO 0.59 -0.07 1.57 -2.30 -0.65 0.00 0.00 175.02 174.17 3lqs n PRO 219 N 4.64 2.70 -4.95 4.11 -0.02 -1.26 -4.28 135.00 135.94 3lqs n PRO 219 Ca -0.12 0.96 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 3lqs n PRO 219 Cb 0.51 -2.73 -0.15 0.00 -0.02 0.00 0.00 33.50 31.12 3lqs n PRO 219 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3lqs s VAL 220 N -0.30 2.72 -0.23 -1.45 1.01 -1.26 -0.81 120.40 120.07 3lqs s VAL 220 Ca 0.61 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3lqs s VAL 220 Cb -0.49 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 33.85 3lqs s VAL 220 CO 0.53 0.55 -0.05 -0.54 0.00 0.00 0.00 175.10 175.58 3lqs s LYS 221 N 0.13 1.62 -1.29 2.72 1.02 0.17 -4.95 119.74 119.15 3lqs s LYS 221 Ca -0.09 -0.94 -0.14 0.00 0.02 0.00 0.00 55.97 54.82 3lqs s LYS 221 Cb -0.15 -2.53 0.12 0.00 -0.52 0.00 0.00 37.83 34.74 3lqs s LYS 221 CO 0.05 -0.58 1.75 0.39 -0.92 0.00 0.00 175.35 176.05 3lqs n GLU 222 N 4.69 3.28 -4.14 1.68 1.02 -1.26 -2.84 120.64 123.09 3lqs n GLU 222 Ca -0.12 -3.40 -0.15 0.00 -0.02 0.00 0.00 57.16 53.46 3lqs n GLU 222 Cb 0.44 -3.19 -0.12 0.00 -0.02 0.00 0.00 31.44 28.55 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 2.37 0.62 0.60 -3.67 -4.36 -0.93 -4.17 121.20 111.67 3lqs s ILE 223 Ca 0.46 -0.87 -0.14 0.00 -0.26 0.00 0.00 60.65 59.84 3lqs s ILE 223 Cb 0.05 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 43.09 3lqs s ILE 223 CO 0.01 -0.19 1.04 -2.16 0.24 0.00 0.00 174.94 173.87 3lqs s PRO 224 N -1.16 3.44 0.15 0.37 0.04 -1.26 -3.98 135.00 132.61 3lqs s PRO 224 Ca -0.05 1.04 0.05 0.00 0.04 0.00 0.00 61.00 62.08 3lqs s PRO 224 Cb -0.08 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3lqs s PRO 224 CO 0.00 -0.70 -0.11 -0.59 0.04 0.00 0.00 177.00 175.65 3lqs s PHE 225 N -2.70 1.31 0.55 0.56 -0.71 -1.26 -5.01 117.98 110.72 3lqs s PHE 225 Ca 0.60 -0.73 -0.07 0.00 -1.04 0.00 0.00 56.93 55.70 3lqs s PHE 225 Cb -0.13 -0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 41.00 3lqs s PHE 225 CO 0.41 0.11 0.88 0.95 -1.34 0.00 0.00 175.22 176.23 3lqs s THR 226 N -3.21 4.35 0.28 -4.49 -4.23 -1.26 -0.56 115.64 106.51 3lqs s THR 226 Ca 0.17 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 3lqs s THR 226 Cb 0.02 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.43 3lqs s THR 226 CO 0.01 -0.74 1.76 0.71 -0.54 0.00 0.00 174.62 175.82 3lqs h THR 227 N -0.05 0.69 -0.47 3.99 1.35 -1.25 0.15 112.91 117.32 3lqs h THR 227 Ca -0.46 -0.23 -0.12 0.00 -0.55 0.00 0.00 66.41 65.05 3lqs h THR 227 Cb 1.22 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 3lqs h THR 227 CO 0.61 0.12 -0.19 0.45 -0.25 0.00 0.00 175.52 176.27 3lqs h HIS 228 N 0.66 1.09 -0.66 4.73 3.86 -1.93 -2.56 115.15 120.33 3lqs h HIS 228 Ca 0.52 -0.26 -0.09 0.00 -1.16 0.00 0.00 60.37 59.39 3lqs h HIS 228 Cb 0.80 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 3lqs h HIS 228 CO -0.06 1.07 0.08 0.93 0.86 0.00 0.00 177.93 180.80 3lqs h GLU 229 N 0.80 1.11 -0.88 2.45 5.08 -1.81 -3.00 114.58 118.34 3lqs h GLU 229 Ca 0.11 -0.31 0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3lqs h GLU 229 Cb 0.76 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 3lqs h GLU 229 CO 0.06 1.03 0.54 0.00 -1.00 0.00 0.00 179.01 179.64 3lqs h ALA 230 N 1.04 1.23 0.00 3.43 0.00 -0.41 -0.83 119.26 123.72 3lqs h ALA 230 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3lqs h ALA 230 Cb 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3lqs h ALA 230 CO 0.02 0.23 0.00 -0.07 0.00 0.00 0.00 179.25 179.43 3lqs h LEU 231 N 0.94 0.00 -2.19 0.00 3.38 -1.32 -2.05 115.31 114.07 3lqs h LEU 231 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3lqs h LEU 231 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3lqs h LEU 231 CO -0.20 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.62 3lqs n LYS 232 N -3.03 2.45 -1.67 1.13 5.02 -0.34 -4.69 118.16 117.03 3lqs n LYS 232 Ca -0.01 -2.17 -0.33 0.00 -2.02 0.00 0.00 58.31 53.78 3lqs n LYS 232 Cb 0.19 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.65 2.64 0.19 1.97 -1.94 -0.77 -4.96 119.30 114.79 3lqs s MET 233 Ca 0.36 1.45 -0.05 0.00 -1.71 0.00 0.00 55.69 55.74 3lqs s MET 233 Cb 0.22 -1.92 0.12 0.00 2.01 0.00 0.00 34.83 35.26 3lqs s MET 233 CO 0.31 -1.39 1.55 -0.44 -0.01 0.00 0.00 175.02 175.04 3lqs h ASP 234 N -0.10 0.73 -5.04 3.03 3.32 -1.27 -3.35 116.42 113.74 3lqs h ASP 234 Ca -0.47 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.15 3lqs h ASP 234 Cb 1.25 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.42 3lqs h ASP 234 CO 0.53 1.05 -0.24 -1.61 -1.72 0.00 0.00 179.24 177.25 3lqs s GLU 235 N -4.28 0.79 -0.03 3.56 2.02 -0.90 -4.49 118.70 115.38 3lqs s GLU 235 Ca -0.09 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 3lqs s GLU 235 Cb 0.12 0.34 0.01 0.00 0.10 0.00 0.00 34.13 34.70 3lqs s GLU 235 CO 0.84 -0.25 0.09 -1.17 0.02 0.00 0.00 175.26 174.79 3lqs s LEU 236 N -1.93 1.67 0.12 1.80 2.96 -1.26 -0.17 118.68 121.87 3lqs s LEU 236 Ca -0.06 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3lqs s LEU 236 Cb -0.02 0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.98 3lqs s LEU 236 CO -0.02 -0.04 0.22 0.72 -1.32 0.00 0.00 176.35 175.91 3lqs s PHE 237 N -0.02 0.30 0.19 5.38 -0.12 -0.70 -0.34 117.98 122.67 3lqs s PHE 237 Ca -0.01 -0.70 0.09 0.00 -0.05 0.00 0.00 56.93 56.27 3lqs s PHE 237 Cb -0.01 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 3lqs s PHE 237 CO 0.00 -0.62 -0.11 0.14 -0.05 0.00 0.00 175.22 174.58 3lqs s VAL 238 N -3.92 3.07 0.00 -2.49 -7.23 -0.21 -1.03 120.40 108.60 3lqs s VAL 238 Ca 0.11 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 3lqs s VAL 238 Cb 0.04 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 3lqs s VAL 238 CO -0.05 -0.15 -0.11 0.42 -0.31 0.00 0.00 175.10 174.90 3lqs s THR 239 N -1.79 0.88 0.26 5.32 -4.23 -0.48 -1.13 115.64 114.47 3lqs s THR 239 Ca 0.25 -0.59 -0.21 0.00 -1.18 0.00 0.00 61.69 59.96 3lqs s THR 239 Cb -0.08 -0.76 0.04 0.00 1.34 0.00 0.00 72.50 73.04 3lqs s THR 239 CO 0.15 0.17 0.80 -0.94 -0.54 0.00 0.00 174.62 174.26 3lqs s SER 240 N -0.48 -0.19 0.37 3.99 1.04 -1.12 -1.05 113.70 116.26 3lqs s SER 240 Ca 0.03 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 55.89 3lqs s SER 240 Cb -0.05 0.68 0.79 0.00 0.10 0.00 0.00 66.02 67.55 3lqs s SER 240 CO -0.00 -1.29 1.93 0.74 0.98 0.00 0.00 173.24 175.60 3lqs h THR 241 N 2.00 0.94 0.00 2.02 2.02 -1.91 0.45 112.91 118.43 3lqs h THR 241 Ca -0.23 -0.24 -0.27 0.00 0.77 0.00 0.00 66.41 66.44 3lqs h THR 241 Cb 1.24 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3lqs h THR 241 CO 0.27 0.13 -2.13 0.35 0.37 0.00 0.00 175.52 174.51 3lqs n THR 242 N -4.50 1.15 0.58 3.16 -2.24 -1.26 -4.33 114.28 106.83 3lqs n THR 242 Ca 0.13 -0.77 0.13 0.00 -2.27 0.00 0.00 64.05 61.27 3lqs n THR 242 Cb 0.33 -0.48 0.33 0.00 -2.10 0.00 0.00 70.33 68.41 3lqs n THR 242 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3lqs h SER 243 N 0.00 0.00 0.00 3.42 0.02 -1.89 -3.42 113.55 111.68 3lqs h SER 243 Ca -0.38 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3lqs h SER 243 Cb 1.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.47 3lqs h SER 243 CO 0.03 0.02 0.00 -0.62 -1.14 0.00 0.00 176.83 175.13 3lqs n GLU 244 N -2.30 0.00 -3.55 3.45 1.02 0.13 -3.46 120.64 115.94 3lqs n GLU 244 Ca 0.05 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 3lqs n GLU 244 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.78 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 4.31 -0.39 -3.67 1.01 -1.26 -2.78 121.20 118.42 3lqs s ILE 245 Ca 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 60.65 58.51 3lqs s ILE 245 Cb 0.00 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.68 3lqs s ILE 245 CO 0.00 -0.82 0.26 -0.89 0.00 0.00 0.00 174.94 173.49 3lqs s THR 246 N 1.06 4.98 0.46 2.92 2.01 -0.28 -4.78 115.64 122.01 3lqs s THR 246 Ca 0.08 -0.73 -0.24 0.00 0.31 0.00 0.00 61.69 61.11 3lqs s THR 246 Cb -0.24 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 3lqs s THR 246 CO -0.02 -0.27 1.37 -2.84 -0.69 0.00 0.00 174.62 172.17 3lqs s PRO 247 N 1.63 3.63 -0.26 4.92 0.02 -1.26 -1.04 135.00 142.64 3lqs s PRO 247 Ca 0.04 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 3lqs s PRO 247 Cb -0.19 -2.57 0.02 0.00 0.02 0.00 0.00 34.50 31.78 3lqs s PRO 247 CO 0.09 -0.81 -0.02 0.08 -0.33 0.00 0.00 177.00 176.00 3lqs s VAL 248 N -1.26 3.20 -0.49 3.83 1.01 0.54 -1.15 120.40 126.09 3lqs s VAL 248 Ca 0.63 -0.88 0.21 0.00 0.00 0.00 0.00 61.98 61.94 3lqs s VAL 248 Cb -0.41 -2.61 -0.28 0.00 0.00 0.00 0.00 36.38 33.08 3lqs s VAL 248 CO 0.51 0.20 0.67 2.30 0.00 0.00 0.00 175.10 178.78 3lqs n ILE 249 N 4.73 0.00 -3.74 2.22 -5.35 -0.55 -4.20 119.36 112.48 3lqs n ILE 249 Ca -0.16 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 61.94 3lqs n ILE 249 Cb 0.48 0.48 -0.11 0.00 -1.74 0.00 0.00 39.64 38.75 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 -3.25 0.34 -0.16 6.28 2.12 -1.23 -0.72 118.70 122.08 3lqs s GLU 250 Ca -0.00 0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.88 3lqs s GLU 250 Cb 0.15 0.06 0.03 0.00 0.26 0.00 0.00 34.13 34.63 3lqs s GLU 250 CO 0.88 -0.10 -0.13 0.42 -0.54 0.00 0.00 175.26 175.79 3lqs s ILE 251 N 0.73 1.55 -1.34 -3.70 1.01 -0.21 -1.14 121.20 118.09 3lqs s ILE 251 Ca -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3lqs s ILE 251 Cb -0.06 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.92 3lqs s ILE 251 CO -0.05 0.39 0.64 0.47 0.00 0.00 0.00 174.94 176.39 3lqs n ASP 252 N 4.77 -1.10 0.00 3.58 8.00 -0.89 -1.63 116.55 129.28 3lqs n ASP 252 Ca -0.16 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3lqs n ASP 252 Cb 0.49 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 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 -1.68 0.91 3.39 0.44 0.00 -1.26 -5.01 105.19 101.98 3lqs n GLY 253 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.04 3.51 0.49 1.61 1.02 -0.64 -5.09 119.74 120.59 3lqs s LYS 254 Ca 0.00 -0.57 -0.21 0.00 0.02 0.00 0.00 55.97 55.21 3lqs s LYS 254 Cb 0.00 -3.02 -0.07 0.00 -0.52 0.00 0.00 37.83 34.21 3lqs s LYS 254 CO 0.00 -0.05 1.11 -0.51 -0.92 0.00 0.00 175.35 174.98 3lqs s LEU 255 N 1.14 3.91 -0.35 3.17 2.01 -1.26 -1.04 118.68 126.25 3lqs s LEU 255 Ca 0.02 2.16 -0.21 0.00 0.01 0.00 0.00 54.13 56.11 3lqs s LEU 255 Cb -0.15 -4.41 0.00 0.00 0.01 0.00 0.00 46.19 41.64 3lqs s LEU 255 CO 0.00 -0.95 0.67 -0.63 1.01 0.00 0.00 176.35 176.46 3lqs s ILE 256 N -1.72 4.86 0.00 -0.59 -1.09 0.10 -4.83 121.20 117.93 3lqs s ILE 256 Ca 0.67 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 3lqs s ILE 256 Cb -0.24 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 3lqs s ILE 256 CO 0.28 -0.31 0.00 -1.14 -1.23 0.00 0.00 174.94 172.54 3lqs n ARG 257 N 6.11 0.00 -0.13 2.79 0.63 -1.26 -1.01 116.66 123.80 3lqs n ARG 257 Ca -0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 3lqs n ARG 257 Cb 0.48 0.00 0.16 0.00 0.45 0.00 0.00 32.46 33.56 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 7.79 3.07 0.00 6.15 5.75 -1.26 -4.96 116.55 133.09 3lqs n ASP 258 Ca 0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3lqs n ASP 258 Cb 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 3lqs n ASP 258 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3lqs n GLY 259 N 1.20 0.52 3.62 6.12 0.00 -0.18 -5.04 105.19 111.43 3lqs n GLY 259 Ca 0.15 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.58 2.28 0.12 1.61 1.02 -1.26 -4.89 119.74 118.04 3lqs s LYS 260 Ca 0.00 -1.04 -0.31 0.00 0.02 0.00 0.00 55.97 54.64 3lqs s LYS 260 Cb 0.00 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 3lqs s LYS 260 CO 0.00 0.49 1.47 0.08 -0.92 0.00 0.00 175.35 176.47 3lqs s VAL 261 N -1.43 3.10 0.73 3.17 1.01 -1.26 -4.97 120.40 120.75 3lqs s VAL 261 Ca 0.24 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 3lqs s VAL 261 Cb -0.10 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.81 3lqs s VAL 261 CO 0.16 0.05 1.10 -0.83 0.00 0.00 0.00 175.10 175.58 3lqs s GLY 262 N 1.28 1.63 0.13 4.51 0.00 -1.26 -4.92 107.32 108.68 3lqs s GLY 262 Ca 0.67 -0.33 -0.17 0.00 0.00 0.00 0.00 44.72 44.89 3lqs s GLY 262 CO 0.30 0.05 1.73 0.83 0.00 0.00 0.00 173.10 176.01 3lqs h GLU 263 N -0.74 0.47 -0.30 2.90 5.08 -1.96 -2.15 114.58 117.88 3lqs h GLU 263 Ca -0.45 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 57.70 3lqs h GLU 263 Cb 1.26 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3lqs h GLU 263 CO 0.63 0.41 -0.41 -1.49 -1.00 0.00 0.00 179.01 177.15 3lqs h TRP 264 N 0.42 0.87 -0.23 4.33 4.06 -1.99 -1.29 115.95 122.12 3lqs h TRP 264 Ca 0.12 -0.26 0.06 0.00 2.06 0.00 0.00 58.89 60.86 3lqs h TRP 264 Cb 0.08 -0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 27.99 3lqs h TRP 264 CO -0.03 1.01 -0.14 1.15 -3.56 0.00 0.00 178.44 176.88 3lqs h THR 265 N 0.59 0.59 -0.60 1.49 2.02 -1.93 -0.02 112.91 115.06 3lqs h THR 265 Ca 0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.31 3lqs h THR 265 Cb 0.95 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 3lqs h THR 265 CO 0.09 0.00 0.24 0.03 0.37 0.00 0.00 175.52 176.25 3lqs h ARG 266 N -0.12 0.43 -0.81 6.66 2.47 -1.19 0.39 114.38 122.22 3lqs h ARG 266 Ca 0.13 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3lqs h ARG 266 Cb 0.31 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 3lqs h ARG 266 CO -0.31 0.28 0.47 0.87 0.56 0.00 0.00 179.97 181.84 3lqs h LYS 267 N 0.44 1.11 -0.52 0.04 1.57 -0.75 -0.30 116.57 118.16 3lqs h LYS 267 Ca 0.30 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3lqs h LYS 267 Cb 0.33 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3lqs h LYS 267 CO -0.28 0.79 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.23 3lqs h LEU 268 N 1.11 0.98 -0.91 2.94 3.38 -0.68 -1.89 115.31 120.24 3lqs h LEU 268 Ca 0.29 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3lqs h LEU 268 Cb -0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 3lqs h LEU 268 CO -0.05 1.11 0.59 1.56 0.09 0.00 0.00 178.44 181.74 3lqs h GLN 269 N 0.85 1.14 -0.36 1.13 4.20 -0.56 0.95 115.11 122.45 3lqs h GLN 269 Ca 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3lqs h GLN 269 Cb 0.66 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3lqs h GLN 269 CO 0.05 0.75 0.20 -0.22 -0.67 0.00 0.00 178.83 178.94 3lqs h LYS 270 N 1.17 0.51 -0.27 1.46 3.64 -0.86 -1.47 116.57 120.74 3lqs h LYS 270 Ca 0.35 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.55 3lqs h LYS 270 Cb -0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3lqs h LYS 270 CO -0.10 0.42 -0.33 0.37 -2.27 0.00 0.00 179.45 177.53 3lqs h GLN 271 N 0.46 0.59 -0.74 1.90 5.75 -0.91 -2.97 115.11 119.18 3lqs h GLN 271 Ca 0.13 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 3lqs h GLN 271 Cb 0.06 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3lqs h GLN 271 CO -0.02 0.85 0.33 0.35 -2.65 0.00 0.00 178.83 177.69 3lqs h PHE 272 N 0.50 1.10 -0.15 3.99 3.57 -0.61 -2.51 116.94 122.83 3lqs h PHE 272 Ca 0.06 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3lqs h PHE 272 Cb 0.82 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3lqs h PHE 272 CO 0.03 0.83 0.12 1.49 -2.23 0.00 0.00 178.31 178.55 3lqs h GLU 273 N 1.06 0.00 0.00 1.11 4.57 -1.11 -0.91 114.58 119.30 3lqs h GLU 273 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3lqs h GLU 273 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3lqs h GLU 273 CO -0.03 0.00 0.00 1.79 -1.18 0.00 0.00 179.01 179.59 3lqs h THR 274 N 0.00 0.00 0.00 0.32 1.35 -1.40 -3.24 112.91 109.94 3lqs h THR 274 Ca 0.07 -0.36 -0.11 0.00 -0.55 0.00 0.00 66.41 65.46 3lqs h THR 274 Cb 0.31 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 3lqs h THR 274 CO -0.00 0.00 -1.35 0.29 -0.25 0.00 0.00 175.52 174.21 3lqs n LYS 275 N -2.77 0.62 -3.19 4.72 4.76 -0.35 -4.95 118.16 117.01 3lqs n LYS 275 Ca 0.01 0.16 -0.34 0.00 -2.87 0.00 0.00 58.31 55.27 3lqs n LYS 275 Cb 0.25 -1.79 -0.06 0.00 -1.84 0.00 0.00 35.03 31.59 3lqs n LYS 275 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3lqs s ILE 276 N -3.08 4.70 0.31 -0.18 -4.36 -1.22 -5.02 121.20 112.36 3lqs s ILE 276 Ca -0.03 0.97 -0.30 0.00 -0.26 0.00 0.00 60.65 61.03 3lqs s ILE 276 Cb 0.09 -3.70 -0.11 0.00 1.25 0.00 0.00 42.46 39.99 3lqs s ILE 276 CO 0.81 -0.00 1.56 -2.84 0.24 0.00 0.00 174.94 174.70 3lqs s PRO 277 N -2.54 4.13 0.06 0.37 0.02 -1.26 -5.03 135.00 130.75 3lqs s PRO 277 Ca 0.48 2.55 0.06 0.00 0.02 0.00 0.00 61.00 64.11 3lqs s PRO 277 Cb -0.13 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 3lqs s PRO 277 CO 0.19 -0.59 -0.17 0.15 -0.33 0.00 0.00 177.00 176.26 3lqs s LYS 278 N -0.87 1.01 0.00 5.54 1.02 -1.26 -4.77 119.74 120.42 3lqs s LYS 278 Ca 0.60 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.67 3lqs s LYS 278 Cb -0.47 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 3lqs s LYS 278 CO 0.51 0.26 0.00 -2.30 -0.92 0.00 0.00 175.35 172.90 3lqs n PRO 279 N 1.56 0.00 0.00 -1.68 -0.02 -1.26 -5.09 135.00 128.51 3lqs n PRO 279 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3lqs n PRO 279 Cb 0.54 -0.02 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3lqs n PRO 279 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37