#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqy n THR 2 N 0.00 0.00 -3.87 2.61 -2.24 -1.26 -5.22 114.28 104.30 3lqy n THR 2 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 3lqy n THR 2 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 3lqy n THR 2 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3lqy s THR 3 N -2.00 5.34 -0.97 4.28 -1.32 -1.26 -5.01 115.64 114.70 3lqy s THR 3 Ca 0.00 -0.35 0.25 0.00 -1.21 0.00 0.00 61.69 60.38 3lqy s THR 3 Cb 0.00 -3.65 0.22 0.00 -1.51 0.00 0.00 72.50 67.56 3lqy s THR 3 CO 0.00 0.08 1.81 -0.62 -2.21 0.00 0.00 174.62 173.68 3lqy n GLU 4 N 0.11 0.02 -1.67 7.08 -0.58 -1.26 -4.52 120.64 119.82 3lqy n GLU 4 Ca -0.05 0.08 -0.40 0.00 -0.42 0.00 0.00 57.16 56.37 3lqy n GLU 4 Cb 0.52 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.84 3lqy n GLU 4 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3lqy n ASN 5 N -1.56 8.20 -1.12 1.62 3.02 -1.26 -4.47 115.26 119.69 3lqy n ASN 5 Ca 0.06 -2.86 0.05 0.00 -0.03 0.00 0.00 54.58 51.80 3lqy n ASN 5 Cb 0.30 -1.47 0.27 0.00 -0.61 0.00 0.00 39.78 38.27 3lqy n ASN 5 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3lqy n THR 6 N 2.75 2.44 -3.84 3.41 -2.24 -1.26 -4.76 114.28 110.78 3lqy n THR 6 Ca 0.69 -1.96 -0.36 0.00 -2.27 0.00 0.00 64.05 60.16 3lqy n THR 6 Cb 0.25 -0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 3lqy n THR 6 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3lqy s THR 7 N -2.91 4.74 -0.11 4.28 2.01 -1.26 -0.24 115.64 122.14 3lqy s THR 7 Ca 0.45 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 3lqy s THR 7 Cb 0.37 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 3lqy s THR 7 CO 0.08 0.38 0.06 0.00 -0.69 0.00 0.00 174.62 174.45 3lqy s ALA 8 N 1.07 3.50 -0.12 7.40 0.00 -0.98 -4.07 121.76 128.56 3lqy s ALA 8 Ca 0.05 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 3lqy s ALA 8 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 3lqy s ALA 8 CO 0.04 0.55 0.75 -1.17 0.00 0.00 0.00 175.76 175.93 3lqy s LEU 9 N -0.79 4.24 -0.25 0.00 2.96 -0.39 -1.12 118.68 123.32 3lqy s LEU 9 Ca 0.13 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 3lqy s LEU 9 Cb -0.12 -3.13 0.05 0.00 0.50 0.00 0.00 46.19 43.50 3lqy s LEU 9 CO 0.03 -0.25 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.48 3lqy s LEU 10 N 1.48 3.31 -0.29 -0.68 2.96 0.09 -0.11 118.68 125.45 3lqy s LEU 10 Ca 0.37 -1.26 -0.09 0.00 -0.22 0.00 0.00 54.13 52.93 3lqy s LEU 10 Cb -0.17 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3lqy s LEU 10 CO 0.15 -0.17 0.13 -0.76 -1.32 0.00 0.00 176.35 174.38 3lqy s LEU 11 N 1.15 3.88 -0.47 -0.68 1.02 -0.36 -1.86 118.68 121.36 3lqy s LEU 11 Ca -0.06 -0.37 -0.15 0.00 0.02 0.00 0.00 54.13 53.56 3lqy s LEU 11 Cb -0.19 -1.99 0.07 0.00 0.02 0.00 0.00 46.19 44.11 3lqy s LEU 11 CO -0.06 -0.13 0.39 -0.63 0.02 0.00 0.00 176.35 175.95 3lqy s ILE 12 N 1.63 5.23 -1.25 -0.59 -1.09 0.16 -0.56 121.20 124.73 3lqy s ILE 12 Ca 0.05 -1.05 -0.00 0.00 -2.23 0.00 0.00 60.65 57.42 3lqy s ILE 12 Cb -0.16 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 3lqy s ILE 12 CO 0.06 -0.57 0.89 0.47 -1.23 0.00 0.00 174.94 174.56 3lqy n ASP 13 N 5.20 -1.84 -3.85 3.58 8.00 -0.21 -1.06 116.55 126.36 3lqy n ASP 13 Ca -0.12 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.26 3lqy n ASP 13 Cb 0.44 -4.73 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 3lqy n ASP 13 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3lqy n PHE 14 N -4.21 3.44 -4.09 1.24 3.72 -1.26 -4.48 117.46 111.82 3lqy n PHE 14 Ca -0.28 -2.91 -0.31 0.00 -0.05 0.00 0.00 57.45 53.89 3lqy n PHE 14 Cb 0.67 -2.33 -0.07 0.00 -0.94 0.00 0.00 39.48 36.81 3lqy n PHE 14 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3lqy s GLN 15 N 2.18 2.84 0.26 -1.08 -0.21 -1.26 -0.75 119.66 121.64 3lqy s GLN 15 Ca 0.45 -0.68 -0.02 0.00 0.02 0.00 0.00 55.36 55.12 3lqy s GLN 15 Cb 0.11 -2.71 0.55 0.00 1.00 0.00 0.00 33.01 31.96 3lqy s GLN 15 CO -0.04 0.58 1.67 -0.91 -2.12 0.00 0.00 175.29 174.47 3lqy h ASN 16 N 3.50 0.02 0.00 5.90 2.35 -0.97 -1.62 115.58 124.76 3lqy h ASN 16 Ca -0.47 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3lqy h ASN 16 Cb 1.17 0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.75 3lqy h ASN 16 CO 0.64 -0.07 0.31 0.44 -1.65 0.00 0.00 177.43 177.10 3lqy h ASP 17 N 0.26 0.00 0.73 5.81 3.32 -0.80 -1.35 116.42 124.39 3lqy h ASP 17 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3lqy h ASP 17 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3lqy h ASP 17 CO -0.56 0.00 -0.31 -1.22 -1.72 0.00 0.00 179.24 175.43 3lqy n TYR 18 N -2.35 0.05 -3.74 4.55 4.01 -0.61 -1.05 117.16 118.02 3lqy n TYR 18 Ca -0.01 0.02 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 3lqy n TYR 18 Cb 0.34 -0.38 -0.12 0.00 -0.31 0.00 0.00 39.34 38.87 3lqy n TYR 18 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3lqy s PHE 19 N -3.01 3.14 0.31 -0.72 0.08 -0.51 -0.65 117.98 116.62 3lqy s PHE 19 Ca 0.12 -0.22 0.33 0.00 0.12 0.00 0.00 56.93 57.27 3lqy s PHE 19 Cb 0.18 -2.26 1.53 0.00 -0.57 0.00 0.00 43.02 41.90 3lqy s PHE 19 CO 0.63 -0.25 2.06 0.66 -0.10 0.00 0.00 175.22 178.23 3lqy h SER 20 N 8.10 0.00 0.45 1.36 4.64 -1.87 0.45 113.55 126.68 3lqy h SER 20 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3lqy h SER 20 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3lqy h SER 20 CO 0.58 0.07 0.00 0.35 -0.87 0.00 0.00 176.83 176.96 3lqy n THR 21 N -3.30 0.43 -3.23 2.95 -2.24 -1.26 -4.70 114.28 102.93 3lqy n THR 21 Ca -0.01 0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.48 3lqy n THR 21 Cb 0.26 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.65 3lqy n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3lqy s TYR 22 N -2.67 3.30 0.05 4.78 5.04 0.15 -5.01 117.35 122.99 3lqy s TYR 22 Ca 0.17 0.68 -0.30 0.00 -2.44 0.00 0.00 57.07 55.18 3lqy s TYR 22 Cb 0.14 -2.71 -0.09 0.00 0.35 0.00 0.00 41.96 39.64 3lqy s TYR 22 CO 0.32 -0.23 1.94 1.21 -1.34 0.00 0.00 175.55 177.45 3lqy s ASN 23 N 1.43 6.44 0.00 4.32 2.47 -1.26 -1.57 114.94 126.77 3lqy s ASN 23 Ca 0.22 2.69 0.00 0.00 0.42 0.00 0.00 52.86 56.19 3lqy s ASN 23 Cb -0.16 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3lqy s ASN 23 CO 0.09 -1.04 0.00 0.61 -3.72 0.00 0.00 177.10 173.04 3lqy n GLY 24 N 4.47 0.49 3.63 1.21 0.00 -1.26 -5.00 105.19 108.74 3lqy n GLY 24 Ca 0.19 -0.46 -0.49 0.00 0.00 0.00 0.00 46.02 45.27 3lqy n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqy n ALA 25 N 0.73 0.16 1.07 4.61 0.00 -0.61 -4.87 120.51 121.61 3lqy n ALA 25 Ca 0.00 0.48 0.12 0.00 0.00 0.00 0.00 53.44 54.04 3lqy n ALA 25 Cb 0.00 -2.21 0.20 0.00 0.00 0.00 0.00 19.45 17.44 3lqy n ALA 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3lqy n LYS 26 N 2.96 0.37 -2.86 0.00 5.02 -1.21 -4.53 118.16 117.92 3lqy n LYS 26 Ca 0.18 -0.24 -0.11 0.00 -2.02 0.00 0.00 58.31 56.11 3lqy n LYS 26 Cb 0.24 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 3lqy n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3lqy n ASN 27 N -1.10 -1.42 -4.75 4.39 5.15 -0.22 -4.79 115.26 112.51 3lqy n ASN 27 Ca 0.08 -3.48 -0.41 0.00 -0.60 0.00 0.00 54.58 50.16 3lqy n ASN 27 Cb 0.35 1.18 -0.02 0.00 -0.53 0.00 0.00 39.78 40.77 3lqy n ASN 27 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3lqy s PRO 28 N -0.52 4.16 0.45 1.20 0.04 -1.06 -4.06 135.00 135.22 3lqy s PRO 28 Ca 0.27 2.50 0.08 0.00 0.04 0.00 0.00 61.00 63.89 3lqy s PRO 28 Cb 0.31 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3lqy s PRO 28 CO -0.06 -0.56 0.45 -0.51 0.04 0.00 0.00 177.00 176.36 3lqy s LEU 29 N -0.72 3.28 -0.25 -3.56 1.43 0.18 -4.96 118.68 114.08 3lqy s LEU 29 Ca 0.61 -0.80 -0.21 0.00 -1.03 0.00 0.00 54.13 52.70 3lqy s LEU 29 Cb -0.46 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 3lqy s LEU 29 CO 0.49 -0.81 0.65 -0.69 0.23 0.00 0.00 176.35 176.22 3lqy s VAL 30 N -2.53 4.97 -0.24 -1.59 1.01 -0.01 -4.22 120.40 117.79 3lqy s VAL 30 Ca 0.48 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.65 3lqy s VAL 30 Cb -0.04 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3lqy s VAL 30 CO 0.29 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3lqy n GLY 31 N 4.07 0.54 0.33 4.51 0.00 -1.26 -4.16 105.19 109.23 3lqy n GLY 31 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.00 3lqy n GLY 31 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3lqy h THR 32 N 0.00 1.25 -0.08 2.61 2.02 -1.86 -1.28 112.91 115.57 3lqy h THR 32 Ca -0.05 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3lqy h THR 32 Cb 0.19 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3lqy h THR 32 CO 0.07 0.29 0.05 -0.33 0.37 0.00 0.00 175.52 175.97 3lqy h GLU 33 N 1.13 0.10 -0.54 6.66 3.07 -1.92 0.52 114.58 123.61 3lqy h GLU 33 Ca 0.28 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.14 3lqy h GLU 33 Cb 0.09 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3lqy h GLU 33 CO -0.04 0.09 0.36 0.00 -1.40 0.00 0.00 179.01 178.02 3lqy h ALA 34 N 1.01 0.68 -0.47 3.43 0.00 -1.92 0.15 119.26 122.15 3lqy h ALA 34 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3lqy h ALA 34 Cb 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3lqy h ALA 34 CO -0.01 0.13 0.23 0.00 0.00 0.00 0.00 179.25 179.60 3lqy h ALA 35 N 1.20 0.59 -0.52 0.00 0.00 -0.86 -1.93 119.26 117.73 3lqy h ALA 35 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3lqy h ALA 35 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3lqy h ALA 35 CO -0.04 -0.12 0.19 0.00 0.00 0.00 0.00 179.25 179.27 3lqy h ALA 36 N 1.25 1.34 -0.68 0.00 0.00 -0.66 -0.47 119.26 120.04 3lqy h ALA 36 Ca 0.20 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3lqy h ALA 36 Cb 0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3lqy h ALA 36 CO -0.14 0.48 0.41 1.49 0.00 0.00 0.00 179.25 181.49 3lqy h GLU 37 N 0.75 0.75 -0.35 0.00 4.81 -0.03 0.76 114.58 121.28 3lqy h GLU 37 Ca 0.18 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3lqy h GLU 37 Cb 0.19 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3lqy h GLU 37 CO -0.01 0.50 -0.26 1.96 -0.73 0.00 0.00 179.01 180.47 3lqy h GLN 38 N 0.78 0.79 -0.84 1.92 1.08 -1.02 -2.48 115.11 115.34 3lqy h GLN 38 Ca 0.29 -0.39 0.04 0.00 -1.45 0.00 0.00 58.65 57.14 3lqy h GLN 38 Cb 0.09 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 3lqy h GLN 38 CO -0.14 1.01 0.54 0.78 -0.95 0.00 0.00 178.83 180.07 3lqy h GLY 39 N 0.58 1.23 1.01 3.46 0.00 -0.63 -1.90 103.07 106.81 3lqy h GLY 39 Ca 0.07 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3lqy h GLY 39 CO 0.07 0.33 0.45 0.00 0.00 0.00 0.00 176.54 177.39 3lqy h ALA 40 N 1.36 0.94 -0.24 3.60 0.00 -0.86 0.35 119.26 124.41 3lqy h ALA 40 Ca 0.34 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3lqy h ALA 40 Cb 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3lqy h ALA 40 CO -0.13 0.40 -0.10 -0.22 0.00 0.00 0.00 179.25 179.19 3lqy h LYS 41 N 1.00 -0.07 -0.54 0.00 3.64 -0.98 -0.54 116.57 119.08 3lqy h LYS 41 Ca 0.27 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 3lqy h LYS 41 Cb -0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3lqy h LYS 41 CO -0.05 -0.04 0.14 -0.07 -2.27 0.00 0.00 179.45 177.15 3lqy h LEU 42 N -0.07 0.82 -0.77 5.20 3.38 -0.86 -2.53 115.31 120.47 3lqy h LEU 42 Ca 0.13 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 57.98 3lqy h LEU 42 Cb 0.26 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 3lqy h LEU 42 CO -0.29 0.83 0.38 0.25 0.09 0.00 0.00 178.44 179.70 3lqy h LEU 43 N 0.76 0.47 -0.43 1.67 6.46 -0.03 -1.41 115.31 122.81 3lqy h LEU 43 Ca 0.17 0.07 -0.14 0.00 -0.12 0.00 0.00 57.88 57.87 3lqy h LEU 43 Cb 0.33 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3lqy h LEU 43 CO 0.00 0.24 -0.27 0.00 -0.62 0.00 0.00 178.44 177.79 3lqy h ALA 44 N 1.48 0.61 -0.36 1.25 0.00 -0.92 -2.57 119.26 118.75 3lqy h ALA 44 Ca 0.39 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3lqy h ALA 44 Cb 0.48 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3lqy h ALA 44 CO -0.31 0.63 0.20 -0.22 0.00 0.00 0.00 179.25 179.55 3lqy h LYS 45 N 0.77 0.50 -0.36 0.00 1.63 -0.95 -0.75 116.57 117.41 3lqy h LYS 45 Ca 0.09 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 3lqy h LYS 45 Cb 0.86 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 3lqy h LYS 45 CO 0.08 0.41 0.16 0.74 -3.45 0.00 0.00 179.45 177.38 3lqy h PHE 46 N 0.46 0.53 -0.44 1.91 -1.00 -1.24 -0.81 116.94 116.35 3lqy h PHE 46 Ca 0.13 -0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.76 3lqy h PHE 46 Cb 0.05 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 3lqy h PHE 46 CO -0.03 0.47 -0.18 0.00 -1.61 0.00 0.00 178.31 176.96 3lqy h ARG 47 N 0.44 0.85 -0.71 1.51 3.08 -1.45 -1.64 114.38 116.45 3lqy h ARG 47 Ca 0.12 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 59.89 3lqy h ARG 47 Cb 0.15 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3lqy h ARG 47 CO -0.01 0.96 0.47 0.37 -1.07 0.00 0.00 179.97 180.68 3lqy h GLN 48 N 0.75 0.79 0.00 0.04 4.15 -0.81 -3.42 115.11 116.62 3lqy h GLN 48 Ca 0.11 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 3lqy h GLN 48 Cb 0.70 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.22 3lqy h GLN 48 CO 0.05 0.53 0.01 1.04 -1.93 0.00 0.00 178.83 178.53 3lqy n GLN 49 N -4.46 0.45 0.00 1.69 1.13 -0.34 -4.96 117.38 110.89 3lqy n GLN 49 Ca 0.09 -0.16 0.15 0.00 -1.94 0.00 0.00 57.00 55.14 3lqy n GLN 49 Cb 0.16 -0.05 0.81 0.00 0.11 0.00 0.00 30.24 31.27 3lqy n GLN 49 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3lqy n GLY 50 N 4.51 -0.70 3.77 1.08 0.00 -1.25 -4.89 105.19 107.71 3lqy n GLY 50 Ca 0.01 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3lqy n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lqy s LEU 51 N -2.03 3.64 0.31 0.99 1.02 -0.67 -4.96 118.68 116.98 3lqy s LEU 51 Ca 0.44 2.14 -0.29 0.00 0.02 0.00 0.00 54.13 56.43 3lqy s LEU 51 Cb 0.22 -4.57 -0.11 0.00 0.02 0.00 0.00 46.19 41.74 3lqy s LEU 51 CO 0.36 -1.36 1.55 -2.84 0.02 0.00 0.00 176.35 174.08 3lqy s PRO 52 N -3.52 4.13 -0.11 1.29 0.02 -1.26 -4.56 135.00 131.00 3lqy s PRO 52 Ca 0.71 2.55 0.01 0.00 0.02 0.00 0.00 61.00 64.29 3lqy s PRO 52 Cb -0.23 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.29 3lqy s PRO 52 CO 0.32 -0.58 -0.11 0.08 -0.33 0.00 0.00 177.00 176.37 3lqy s VAL 53 N -0.30 1.20 -0.04 3.83 1.01 -1.26 -1.26 120.40 123.58 3lqy s VAL 53 Ca 0.60 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3lqy s VAL 53 Cb -0.47 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3lqy s VAL 53 CO 0.51 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 175.11 3lqy s VAL 54 N 1.32 1.62 0.08 2.92 1.01 0.85 -3.95 120.40 124.25 3lqy s VAL 54 Ca -0.01 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3lqy s VAL 54 Cb -0.14 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3lqy s VAL 54 CO -0.05 0.46 -0.01 -1.00 0.00 0.00 0.00 175.10 174.50 3lqy s HIS 55 N -0.11 2.98 -0.01 5.22 3.76 -0.34 -1.23 115.29 125.56 3lqy s HIS 55 Ca -0.02 -0.02 0.05 0.00 -0.15 0.00 0.00 55.06 54.92 3lqy s HIS 55 Cb -0.11 -1.55 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 3lqy s HIS 55 CO 0.02 0.47 -0.16 0.08 -0.85 0.00 0.00 174.74 174.30 3lqy s VAL 56 N -1.26 1.24 -0.00 -0.90 1.01 0.27 0.27 120.40 121.03 3lqy s VAL 56 Ca 0.24 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3lqy s VAL 56 Cb -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3lqy s VAL 56 CO 0.17 0.35 -0.00 -0.60 0.00 0.00 0.00 175.10 175.02 3lqy s ARG 57 N -0.34 0.04 -0.11 2.72 3.52 0.06 -1.04 118.95 123.79 3lqy s ARG 57 Ca 0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 55.73 55.63 3lqy s ARG 57 Cb -0.06 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 3lqy s ARG 57 CO -0.00 -0.01 -0.01 -1.58 -0.81 0.00 0.00 175.30 172.89 3lqy s HIS 58 N 0.09 3.11 -0.02 5.12 5.65 -1.26 -0.53 115.29 127.45 3lqy s HIS 58 Ca -0.01 0.05 0.02 0.00 0.25 0.00 0.00 55.06 55.37 3lqy s HIS 58 Cb -0.01 -1.85 0.00 0.00 -1.18 0.00 0.00 32.58 29.54 3lqy s HIS 58 CO -0.00 0.30 -0.07 -1.21 -0.65 0.00 0.00 174.74 173.11 3lqy s GLU 59 N -0.46 0.68 0.00 2.88 2.02 -0.56 -4.84 118.70 118.42 3lqy s GLU 59 Ca 0.08 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.84 3lqy s GLU 59 Cb -0.12 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.44 3lqy s GLU 59 CO 0.02 0.10 0.00 1.19 0.02 0.00 0.00 175.26 176.59 3lqy n PHE 60 N 3.20 0.00 -1.56 1.61 3.01 -0.82 -4.34 117.46 118.57 3lqy n PHE 60 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3lqy n PHE 60 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 3lqy n PHE 60 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3lqy n THR 62 N 0.00 -4.15 0.81 4.37 5.66 -1.26 -4.32 114.28 115.40 3lqy n THR 62 Ca 0.00 1.91 0.13 0.00 -3.05 0.00 0.00 64.05 63.05 3lqy n THR 62 Cb 0.00 -2.67 0.52 0.00 -1.55 0.00 0.00 70.33 66.63 3lqy n THR 62 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3lqy n ASP 63 N -1.07 0.33 -1.17 1.09 5.75 -1.26 -3.15 116.55 117.07 3lqy n ASP 63 Ca 0.00 0.54 0.08 0.00 -0.01 0.00 0.00 54.79 55.40 3lqy n ASP 63 Cb 0.04 -0.62 0.28 0.00 -1.03 0.00 0.00 41.12 39.78 3lqy n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3lqy n GLU 64 N -1.82 3.23 -1.45 0.11 4.71 -1.26 -4.98 120.64 119.19 3lqy n GLU 64 Ca 0.06 -2.61 -0.38 0.00 -0.01 0.00 0.00 57.16 54.22 3lqy n GLU 64 Cb 0.36 -1.66 0.05 0.00 -1.01 0.00 0.00 31.44 29.17 3lqy n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3lqy n ALA 65 N 0.75 -1.06 0.08 0.62 0.00 -1.19 -4.96 120.51 114.76 3lqy n ALA 65 Ca 0.21 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.52 3lqy n ALA 65 Cb 0.72 -1.86 0.07 0.00 0.00 0.00 0.00 19.45 18.38 3lqy n ALA 65 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3lqy h PRO 66 N 0.15 0.25 -3.23 0.00 0.13 -1.93 -3.46 132.00 123.91 3lqy h PRO 66 Ca -0.46 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 3lqy h PRO 66 Cb 1.39 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.51 3lqy h PRO 66 CO 0.47 0.85 0.13 -0.59 -0.23 0.00 0.00 178.00 178.62 3lqy s PHE 67 N -3.60 0.12 -1.33 1.56 -0.71 -1.26 -4.85 117.98 107.91 3lqy s PHE 67 Ca -0.04 -0.59 -0.06 0.00 -1.04 0.00 0.00 56.93 55.19 3lqy s PHE 67 Cb 0.11 0.57 -0.00 0.00 -1.21 0.00 0.00 43.02 42.49 3lqy s PHE 67 CO 0.81 -1.27 0.53 1.19 -1.34 0.00 0.00 175.22 175.15 3lqy n PHE 68 N -0.47 -1.71 -2.00 3.49 3.72 -1.26 -4.56 117.46 114.66 3lqy n PHE 68 Ca -0.04 0.65 -0.40 0.00 -0.05 0.00 0.00 57.45 57.61 3lqy n PHE 68 Cb 0.60 -3.67 -0.00 0.00 -0.94 0.00 0.00 39.48 35.47 3lqy n PHE 68 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3lqy s LEU 69 N -6.85 4.24 0.11 4.37 1.02 -1.26 -1.95 118.68 118.37 3lqy s LEU 69 Ca 0.14 2.73 -0.31 0.00 0.02 0.00 0.00 54.13 56.71 3lqy s LEU 69 Cb -0.05 -3.85 -0.08 0.00 0.02 0.00 0.00 46.19 42.24 3lqy s LEU 69 CO 0.88 -0.85 1.35 -2.16 0.02 0.00 0.00 176.35 175.60 3lqy s PRO 70 N -2.19 4.34 0.00 1.29 0.04 -1.26 -2.28 135.00 134.94 3lqy s PRO 70 Ca 0.56 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.62 3lqy s PRO 70 Cb -0.40 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3lqy s PRO 70 CO 0.52 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.57 3lqy n GLY 71 N 3.36 1.14 3.87 0.56 0.00 -1.26 -5.01 105.19 107.85 3lqy n GLY 71 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3lqy n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lqy s SER 72 N -3.07 6.43 0.50 1.61 1.04 -0.97 -4.96 113.70 114.27 3lqy s SER 72 Ca 0.00 1.35 0.24 0.00 0.48 0.00 0.00 55.95 58.01 3lqy s SER 72 Cb 0.00 -2.42 1.33 0.00 0.10 0.00 0.00 66.02 65.03 3lqy s SER 72 CO 0.00 -0.64 2.05 0.44 0.98 0.00 0.00 173.24 176.07 3lqy h ASP 73 N 0.49 0.00 0.78 7.02 3.32 -1.96 -2.77 116.42 123.30 3lqy h ASP 73 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 3lqy h ASP 73 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 3lqy h ASP 73 CO 0.62 0.14 -0.14 1.23 -1.72 0.00 0.00 179.24 179.37 3lqy h GLY 74 N 0.73 0.00 -1.08 2.75 0.00 -1.93 -2.07 103.07 101.47 3lqy h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lqy h GLY 74 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 3lqy n ALA 75 N -2.20 2.52 -1.80 3.60 0.00 -1.05 -0.10 120.51 121.48 3lqy n ALA 75 Ca -0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 53.44 52.51 3lqy n ALA 75 Cb 0.34 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 3lqy n ALA 75 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3lqy s LYS 76 N -1.92 4.34 0.29 0.00 1.02 -0.78 -4.78 119.74 117.91 3lqy s LYS 76 Ca 0.34 1.25 -0.30 0.00 0.02 0.00 0.00 55.97 57.29 3lqy s LYS 76 Cb 0.20 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.96 3lqy s LYS 76 CO 0.31 0.06 1.48 0.42 -0.92 0.00 0.00 175.35 176.70 3lqy s ILE 77 N -1.90 2.40 0.43 2.17 1.01 -1.26 -1.15 121.20 122.90 3lqy s ILE 77 Ca 0.57 0.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.33 3lqy s ILE 77 Cb -0.14 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 3lqy s ILE 77 CO 0.19 0.06 1.31 -2.28 0.00 0.00 0.00 174.94 174.22 3lqy s HIS 78 N -0.29 2.72 0.44 3.97 5.65 0.07 -4.79 115.29 123.05 3lqy s HIS 78 Ca 0.58 1.40 0.32 0.00 0.25 0.00 0.00 55.06 57.62 3lqy s HIS 78 Cb -0.44 -3.68 1.68 0.00 -1.18 0.00 0.00 32.58 28.96 3lqy s HIS 78 CO 0.49 -2.22 2.14 -1.35 -0.65 0.00 0.00 174.74 173.15 3lqy h PRO 79 N 2.41 0.00 0.00 2.88 0.11 -1.92 -2.45 132.00 133.03 3lqy h PRO 79 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3lqy h PRO 79 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3lqy h PRO 79 CO 0.61 0.07 -0.03 0.66 -0.21 0.00 0.00 178.00 179.10 3lqy h SER 80 N 0.00 0.00 -0.25 -2.05 4.64 -1.96 -2.84 113.55 111.09 3lqy h SER 80 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3lqy h SER 80 Cb 0.26 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.01 3lqy h SER 80 CO 0.01 0.03 -0.95 1.33 -0.87 0.00 0.00 176.83 176.38 3lqy n VAL 81 N -3.64 1.12 -1.87 0.95 0.24 -0.95 -4.66 118.33 109.52 3lqy n VAL 81 Ca -0.03 -2.44 -0.37 0.00 -2.04 0.00 0.00 64.34 59.47 3lqy n VAL 81 Cb 0.12 0.61 0.05 0.00 -1.47 0.00 0.00 33.84 33.15 3lqy n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3lqy s ALA 82 N -2.28 2.50 0.74 2.33 0.00 -1.04 -4.87 121.76 119.14 3lqy s ALA 82 Ca 0.35 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 53.34 3lqy s ALA 82 Cb 0.37 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 20.01 3lqy s ALA 82 CO -0.08 -1.38 1.08 0.00 0.00 0.00 0.00 175.76 175.38 3lqy s ALA 83 N -1.47 2.42 0.33 0.00 0.00 -1.26 -5.09 121.76 116.70 3lqy s ALA 83 Ca 0.79 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.95 3lqy s ALA 83 Cb -0.35 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 3lqy s ALA 83 CO 0.38 -1.53 -0.07 -0.65 0.00 0.00 0.00 175.76 173.89 3lqy s GLN 84 N -5.00 1.74 0.42 0.00 -0.21 -1.26 -5.08 119.66 110.27 3lqy s GLN 84 Ca 0.60 -1.91 -0.26 0.00 0.02 0.00 0.00 55.36 53.81 3lqy s GLN 84 Cb -0.15 -1.49 -0.09 0.00 1.00 0.00 0.00 33.01 32.28 3lqy s GLN 84 CO 0.55 0.07 1.40 -2.00 -2.12 0.00 0.00 175.29 173.19 3lqy s GLU 85 N -3.67 3.86 0.00 2.91 -6.30 -1.26 -2.14 118.70 112.09 3lqy s GLU 85 Ca 0.32 2.36 0.00 0.00 -2.50 0.00 0.00 54.97 55.15 3lqy s GLU 85 Cb 0.04 -2.75 0.00 0.00 0.00 0.00 0.00 34.13 31.42 3lqy s GLU 85 CO 0.15 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.18 3lqy n GLY 86 N 0.59 2.96 3.59 -1.50 0.00 -1.26 -5.02 105.19 104.56 3lqy n GLY 86 Ca 0.04 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3lqy n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lqy s GLU 87 N 0.00 3.84 0.48 1.61 2.02 -0.91 -5.02 118.70 120.72 3lqy s GLU 87 Ca 0.00 0.33 -0.23 0.00 0.02 0.00 0.00 54.97 55.10 3lqy s GLU 87 Cb 0.00 -3.76 -0.07 0.00 0.10 0.00 0.00 34.13 30.40 3lqy s GLU 87 CO 0.00 -0.69 1.26 0.00 0.02 0.00 0.00 175.26 175.84 3lqy s ALA 88 N 2.83 2.96 -0.18 5.21 0.00 -1.25 -4.71 121.76 126.61 3lqy s ALA 88 Ca 0.28 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.38 3lqy s ALA 88 Cb -0.14 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3lqy s ALA 88 CO 0.14 -0.94 -0.16 0.08 0.00 0.00 0.00 175.76 174.87 3lqy s VAL 89 N -1.42 1.89 -0.20 0.00 1.01 -1.26 -1.20 120.40 119.22 3lqy s VAL 89 Ca 0.66 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3lqy s VAL 89 Cb -0.34 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3lqy s VAL 89 CO 0.41 0.41 0.26 -0.69 0.00 0.00 0.00 175.10 175.50 3lqy s VAL 90 N 1.34 5.30 -0.17 2.92 1.01 0.14 -4.97 120.40 125.97 3lqy s VAL 90 Ca 0.03 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 3lqy s VAL 90 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3lqy s VAL 90 CO -0.11 0.34 0.38 -0.22 0.00 0.00 0.00 175.10 175.49 3lqy s LEU 91 N 0.87 4.20 0.20 3.92 2.96 -1.26 -0.76 118.68 128.80 3lqy s LEU 91 Ca 0.14 0.57 0.07 0.00 -0.22 0.00 0.00 54.13 54.68 3lqy s LEU 91 Cb -0.13 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 3lqy s LEU 91 CO 0.04 -0.01 -0.14 -1.59 -1.32 0.00 0.00 176.35 173.33 3lqy s LYS 92 N 0.95 1.29 0.00 1.98 -2.85 0.31 -4.83 119.74 116.59 3lqy s LYS 92 Ca 0.20 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 53.60 3lqy s LYS 92 Cb -0.14 -1.07 0.00 0.00 -2.06 0.00 0.00 37.83 34.55 3lqy s LYS 92 CO 0.07 0.18 0.38 0.72 0.10 0.00 0.00 175.35 176.80 3lqy n HIS 93 N -0.32 0.00 -4.57 1.78 8.25 -1.26 -1.50 115.22 117.60 3lqy n HIS 93 Ca -0.09 -0.04 -0.26 0.00 -0.26 0.00 0.00 57.72 57.07 3lqy n HIS 93 Cb 0.60 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.60 3lqy n HIS 93 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3lqy s GLN 94 N -0.09 1.86 0.03 -0.41 -1.52 -1.26 -4.92 119.66 113.35 3lqy s GLN 94 Ca 0.00 -2.03 -0.26 0.00 -1.95 0.00 0.00 55.36 51.13 3lqy s GLN 94 Cb 0.00 -1.51 -0.17 0.00 -0.22 0.00 0.00 33.01 31.11 3lqy s GLN 94 CO 0.00 -0.03 1.40 0.82 -0.25 0.00 0.00 175.29 177.23 3lqy h ILE 95 N 1.90 0.84 -2.82 1.08 2.04 -1.98 -3.41 117.51 115.16 3lqy h ILE 95 Ca -0.43 -0.49 -0.54 0.00 1.00 0.00 0.00 64.86 64.40 3lqy h ILE 95 Cb 1.24 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3lqy h ILE 95 CO 0.76 0.11 0.90 0.21 0.00 0.00 0.00 178.15 180.13 3lqy s ASN 96 N -5.13 6.77 0.26 1.72 3.84 -1.26 -4.82 114.94 116.32 3lqy s ASN 96 Ca -0.15 2.22 0.25 0.00 0.21 0.00 0.00 52.86 55.38 3lqy s ASN 96 Cb 0.03 -2.56 0.95 0.00 -0.55 0.00 0.00 41.25 39.13 3lqy s ASN 96 CO 0.60 -0.78 1.74 -1.20 -2.79 0.00 0.00 177.10 174.67 3lqy n SER 97 N 5.61 0.74 0.06 -4.21 7.64 -1.26 -1.75 113.62 120.44 3lqy n SER 97 Ca 0.14 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.80 3lqy n SER 97 Cb 0.43 -0.82 0.20 0.00 -1.01 0.00 0.00 64.21 63.01 3lqy n SER 97 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3lqy n PHE 98 N -2.28 0.51 -2.67 1.43 3.72 -1.26 -4.52 117.46 112.39 3lqy n PHE 98 Ca 0.03 0.15 -0.43 0.00 -0.05 0.00 0.00 57.45 57.15 3lqy n PHE 98 Cb 0.28 -0.63 -0.02 0.00 -0.94 0.00 0.00 39.48 38.17 3lqy n PHE 98 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3lqy s ARG 99 N -3.14 4.24 -1.67 -1.08 3.52 -0.72 -3.62 118.95 116.47 3lqy s ARG 99 Ca 0.07 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.98 3lqy s ARG 99 Cb 0.14 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 3lqy s ARG 99 CO 0.71 -0.66 0.00 -0.25 -0.81 0.00 0.00 175.30 174.29 3lqy n ASP 100 N 6.37 -4.50 -4.79 -2.12 8.00 -1.26 -4.65 116.55 113.59 3lqy n ASP 100 Ca 0.12 0.33 -0.29 0.00 0.71 0.00 0.00 54.79 55.66 3lqy n ASP 100 Cb 0.46 -3.99 -0.06 0.00 -0.02 0.00 0.00 41.12 37.51 3lqy n ASP 100 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3lqy s THR 101 N -2.51 1.60 -1.66 -3.53 -4.23 -1.24 -4.95 115.64 99.12 3lqy s THR 101 Ca 0.00 -1.78 0.19 0.00 -1.18 0.00 0.00 61.69 58.92 3lqy s THR 101 Cb 0.00 -2.37 0.61 0.00 1.34 0.00 0.00 72.50 72.08 3lqy s THR 101 CO 0.00 0.00 1.51 0.47 -0.54 0.00 0.00 174.62 176.06 3lqy n ASP 102 N -1.40 3.88 -0.15 3.99 8.00 -1.26 -4.66 116.55 124.95 3lqy n ASP 102 Ca -0.09 -2.17 -0.04 0.00 0.71 0.00 0.00 54.79 53.20 3lqy n ASP 102 Cb 0.66 -0.49 0.05 0.00 -0.02 0.00 0.00 41.12 41.32 3lqy n ASP 102 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3lqy h LEU 103 N 3.80 0.23 0.77 0.64 5.85 -1.87 0.93 115.31 125.67 3lqy h LEU 103 Ca 0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3lqy h LEU 103 Cb 1.07 0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.12 3lqy h LEU 103 CO 0.09 0.17 -0.37 0.50 -0.34 0.00 0.00 178.44 178.49 3lqy h LYS 104 N 0.38 -1.00 -0.82 1.25 3.64 -1.89 0.96 116.57 119.10 3lqy h LYS 104 Ca 0.21 0.07 0.20 0.00 -1.27 0.00 0.00 60.65 59.86 3lqy h LYS 104 Cb 0.18 0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 32.11 3lqy h LYS 104 CO -0.19 -0.65 0.25 0.87 -2.27 0.00 0.00 179.45 177.46 3lqy h LYS 105 N -1.15 0.29 0.33 1.90 1.57 -1.85 0.68 116.57 118.34 3lqy h LYS 105 Ca -0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3lqy h LYS 105 Cb 0.81 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3lqy h LYS 105 CO 0.17 0.19 -0.22 0.28 -0.57 0.00 0.00 179.45 179.31 3lqy h VAL 106 N 0.29 0.55 -0.53 0.50 2.07 -0.44 -1.30 116.25 117.39 3lqy h VAL 106 Ca 0.49 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.01 3lqy h VAL 106 Cb 0.91 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3lqy h VAL 106 CO -0.56 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.28 3lqy h LEU 107 N -0.53 0.63 -1.45 2.57 3.38 0.12 -1.66 115.31 118.37 3lqy h LEU 107 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3lqy h LEU 107 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3lqy h LEU 107 CO 0.03 0.50 0.00 0.44 0.09 0.00 0.00 178.44 179.49 3lqy h ASP 108 N 0.71 0.00 0.84 -0.43 3.32 0.37 -1.58 116.42 119.65 3lqy h ASP 108 Ca 0.19 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 3lqy h ASP 108 Cb -0.02 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3lqy h ASP 108 CO -0.04 0.00 -1.25 0.44 -1.72 0.00 0.00 179.24 176.67 3lqy h ASP 109 N 0.00 0.00 0.00 6.45 3.32 -0.26 -3.44 116.42 122.49 3lqy h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3lqy h ASP 109 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3lqy h ASP 109 CO 0.00 0.87 0.00 0.00 -1.72 0.00 0.00 179.24 178.39 3lqy n ALA 110 N -2.41 0.00 -3.64 3.45 0.00 -0.63 -5.11 120.51 112.16 3lqy n ALA 110 Ca -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 3lqy n ALA 110 Cb 0.94 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.32 3lqy n ALA 110 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3lqy s ILE 112 N -0.30 0.00 -0.03 0.00 -1.09 -1.00 -4.97 121.20 113.82 3lqy s ILE 112 Ca 0.00 0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 3lqy s ILE 112 Cb 0.00 -1.00 -0.03 0.00 -1.58 0.00 0.00 42.46 39.85 3lqy s ILE 112 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 174.94 174.00 3lqy n LYS 113 N 2.32 3.02 -4.28 2.79 4.76 0.66 -4.81 118.16 122.63 3lqy n LYS 113 Ca -0.13 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.16 3lqy n LYS 113 Cb 0.57 -1.06 -0.10 0.00 -1.84 0.00 0.00 35.03 32.59 3lqy n LYS 113 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3lqy s LYS 114 N -2.06 1.20 0.01 1.97 1.02 -0.71 -2.47 119.74 118.69 3lqy s LYS 114 Ca -0.02 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.39 3lqy s LYS 114 Cb 0.01 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 36.84 3lqy s LYS 114 CO 0.10 -0.08 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.92 3lqy s LEU 115 N -3.23 2.06 -0.20 3.17 1.43 -0.25 -2.32 118.68 119.34 3lqy s LEU 115 Ca 0.25 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3lqy s LEU 115 Cb 0.05 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.27 3lqy s LEU 115 CO 0.05 -0.07 -0.13 -0.69 0.23 0.00 0.00 176.35 175.74 3lqy s VAL 116 N -0.39 2.66 -0.15 -1.59 1.01 -0.28 -0.88 120.40 120.77 3lqy s VAL 116 Ca -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 3lqy s VAL 116 Cb -0.03 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3lqy s VAL 116 CO -0.00 0.49 -0.04 -0.63 0.00 0.00 0.00 175.10 174.91 3lqy s ILE 117 N 1.36 3.86 0.10 2.22 1.01 -0.06 -0.73 121.20 128.97 3lqy s ILE 117 Ca 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 3lqy s ILE 117 Cb -0.14 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3lqy s ILE 117 CO -0.08 0.50 0.02 0.68 0.00 0.00 0.00 174.94 176.06 3lqy s VAL 118 N 0.32 0.17 -0.96 2.92 -7.23 -0.78 -1.95 120.40 112.89 3lqy s VAL 118 Ca -0.04 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3lqy s VAL 118 Cb -0.14 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.94 3lqy s VAL 118 CO 0.03 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 3lqy n GLY 119 N -0.03 0.32 3.42 2.32 0.00 -0.26 -0.66 105.19 110.30 3lqy n GLY 119 Ca -0.09 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.00 3lqy n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqy s ALA 120 N -1.73 -1.48 -0.26 4.61 0.00 -0.23 -1.86 121.76 120.82 3lqy s ALA 120 Ca 0.00 1.86 -0.14 0.00 0.00 0.00 0.00 51.96 53.68 3lqy s ALA 120 Cb 0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 23.12 21.57 3lqy s ALA 120 CO 0.00 -0.69 -0.19 2.41 0.00 0.00 0.00 175.76 177.29 3lqy n THR 122 N 5.11 1.54 -0.28 0.00 -1.04 -0.20 -4.52 114.28 114.89 3lqy n THR 122 Ca -0.13 -0.34 -0.09 0.00 -2.04 0.00 0.00 64.05 61.45 3lqy n THR 122 Cb 0.51 -1.87 0.04 0.00 -1.82 0.00 0.00 70.33 67.20 3lqy n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lqy n HIS 123 N -4.17 1.00 0.00 -1.42 1.44 -1.26 -1.94 115.22 108.87 3lqy n HIS 123 Ca -0.48 -1.32 0.00 0.00 -2.01 0.00 0.00 57.72 53.91 3lqy n HIS 123 Cb 0.86 -0.65 0.00 0.00 0.12 0.00 0.00 29.99 30.32 3lqy n HIS 123 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3lqy n ILE 126 N 0.39 0.00 -0.03 0.61 2.08 -1.26 -4.86 119.36 116.28 3lqy n ILE 126 Ca 0.20 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.42 3lqy n ILE 126 Cb 0.70 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.56 3lqy n ILE 126 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 3lqy h ASP 127 N 0.00 -0.22 -0.14 4.38 3.58 -1.81 -1.02 116.42 121.19 3lqy h ASP 127 Ca 0.00 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 3lqy h ASP 127 Cb 0.00 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 3lqy h ASP 127 CO 0.00 -0.08 0.08 0.00 -2.88 0.00 0.00 179.24 176.36 3lqy h ALA 128 N 1.16 0.18 -0.18 -0.78 0.00 -1.89 -2.30 119.26 115.45 3lqy h ALA 128 Ca 0.09 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3lqy h ALA 128 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3lqy h ALA 128 CO -0.21 -0.29 -0.54 -0.24 0.00 0.00 0.00 179.25 177.98 3lqy h VAL 129 N 0.14 1.32 -0.25 0.00 3.04 -1.83 -1.26 116.25 117.41 3lqy h VAL 129 Ca 0.05 -1.78 -0.03 0.00 -1.01 0.00 0.00 66.70 63.93 3lqy h VAL 129 Cb 0.06 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 3lqy h VAL 129 CO -0.01 0.55 0.03 0.74 -1.01 0.00 0.00 177.57 177.87 3lqy h THR 130 N 0.41 1.24 -0.32 3.17 2.02 -1.08 0.44 112.91 118.78 3lqy h THR 130 Ca 0.01 -0.81 -0.15 0.00 0.77 0.00 0.00 66.41 66.24 3lqy h THR 130 Cb 1.07 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3lqy h THR 130 CO 0.10 0.26 -0.39 0.03 0.37 0.00 0.00 175.52 175.89 3lqy h ARG 131 N 0.23 0.76 -0.50 6.66 3.08 -1.42 -0.96 114.38 122.23 3lqy h ARG 131 Ca 0.08 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.68 3lqy h ARG 131 Cb 0.35 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3lqy h ARG 131 CO 0.01 1.01 0.08 0.00 -1.07 0.00 0.00 179.97 180.00 3lqy h ALA 132 N 0.94 0.67 -0.04 0.04 0.00 -1.15 -2.10 119.26 117.62 3lqy h ALA 132 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3lqy h ALA 132 Cb 0.94 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3lqy h ALA 132 CO 0.09 0.40 -0.00 0.00 0.00 0.00 0.00 179.25 179.74 3lqy h ALA 133 N 0.97 0.05 -0.60 0.00 0.00 -0.73 -0.87 119.26 118.07 3lqy h ALA 133 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3lqy h ALA 133 Cb 0.41 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3lqy h ALA 133 CO 0.01 -0.28 0.38 1.49 0.00 0.00 0.00 179.25 180.85 3lqy h GLU 134 N -0.24 0.73 0.00 0.00 4.22 -1.20 -1.21 114.58 116.87 3lqy h GLU 134 Ca 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 3lqy h GLU 134 Cb 0.33 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3lqy h GLU 134 CO 0.00 0.48 -0.12 -0.44 -2.18 0.00 0.00 179.01 176.76 3lqy h ASP 135 N 0.75 0.00 1.57 1.04 3.32 -1.28 -1.64 116.42 120.18 3lqy h ASP 135 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3lqy h ASP 135 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3lqy h ASP 135 CO -0.09 0.12 0.00 -0.07 -1.72 0.00 0.00 179.24 177.48 3lqy h LEU 136 N 0.00 0.00 0.00 1.55 3.38 -0.04 -3.48 115.31 116.72 3lqy h LEU 136 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lqy h LEU 136 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3lqy h LEU 136 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3lqy n GLY 137 N 1.09 1.09 3.78 0.83 0.00 -0.60 -5.08 105.19 106.29 3lqy n GLY 137 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3lqy n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lqy s TYR 138 N -2.00 3.47 -0.09 1.61 2.02 -0.81 -4.99 117.35 116.57 3lqy s TYR 138 Ca 0.00 1.70 -0.27 0.00 -0.37 0.00 0.00 57.07 58.13 3lqy s TYR 138 Cb 0.00 -3.07 -0.02 0.00 -0.40 0.00 0.00 41.96 38.47 3lqy s TYR 138 CO 0.00 -0.30 0.90 -1.21 -1.57 0.00 0.00 175.55 173.37 3lqy s GLU 139 N -2.18 4.42 0.04 -0.62 2.02 -1.03 -4.09 118.70 117.26 3lqy s GLU 139 Ca 0.53 1.20 0.06 0.00 0.02 0.00 0.00 54.97 56.78 3lqy s GLU 139 Cb -0.22 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 3lqy s GLU 139 CO 0.28 -0.19 -0.15 0.00 0.02 0.00 0.00 175.26 175.22 3lqy s ALA 141 N -0.98 1.67 -0.06 0.00 0.00 -0.06 -1.06 121.76 121.27 3lqy s ALA 141 Ca 0.16 -1.46 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 3lqy s ALA 141 Cb -0.11 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3lqy s ALA 141 CO 0.07 0.05 -0.02 0.08 0.00 0.00 0.00 175.76 175.94 3lqy s VAL 142 N -2.65 0.47 -0.56 0.00 1.01 0.08 -0.88 120.40 117.87 3lqy s VAL 142 Ca 0.15 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 3lqy s VAL 142 Cb -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.85 3lqy s VAL 142 CO 0.04 0.24 0.96 0.00 0.00 0.00 0.00 175.10 176.34 3lqy s ALA 143 N 1.43 3.14 0.35 5.51 0.00 -0.82 -1.85 121.76 129.52 3lqy s ALA 143 Ca -0.03 -1.22 0.14 0.00 0.00 0.00 0.00 51.96 50.84 3lqy s ALA 143 Cb -0.13 -3.77 0.72 0.00 0.00 0.00 0.00 23.12 19.94 3lqy s ALA 143 CO -0.03 -2.42 1.81 1.12 0.00 0.00 0.00 175.76 176.24 3lqy h HIS 144 N 9.34 0.00 -0.07 0.00 2.07 -1.59 -1.48 115.15 123.42 3lqy h HIS 144 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 3lqy h HIS 144 Cb 1.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.05 3lqy h HIS 144 CO 0.92 0.39 0.00 -0.40 -3.07 0.00 0.00 177.93 175.77 3lqy n ASP 145 N -4.00 1.23 -0.95 3.10 5.75 -1.26 -3.39 116.55 117.03 3lqy n ASP 145 Ca -0.02 -1.52 0.06 0.00 -0.01 0.00 0.00 54.79 53.30 3lqy n ASP 145 Cb 0.43 -0.04 0.25 0.00 -1.03 0.00 0.00 41.12 40.72 3lqy n ASP 145 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lqy n ALA 146 N -0.00 3.25 -2.37 2.12 0.00 -0.56 -4.11 120.51 118.84 3lqy n ALA 146 Ca 0.18 -2.46 -0.19 0.00 0.00 0.00 0.00 53.44 50.96 3lqy n ALA 146 Cb 0.29 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 3lqy n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lqy s ALA 148 N -2.94 -0.05 0.00 0.00 0.00 -0.78 -4.82 121.76 113.17 3lqy s ALA 148 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3lqy s ALA 148 Cb -0.00 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3lqy s ALA 148 CO 0.08 -0.22 0.00 -2.37 0.00 0.00 0.00 175.76 173.25 3lqy n THR 149 N 1.29 0.00 -4.12 0.00 5.66 -1.26 -1.04 114.28 114.82 3lqy n THR 149 Ca -0.22 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.65 3lqy n THR 149 Cb 0.56 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.28 3lqy n THR 149 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 3lqy s LEU 150 N 0.00 0.94 0.24 1.09 0.05 -1.26 -0.83 118.68 118.91 3lqy s LEU 150 Ca 0.00 -1.34 -0.30 0.00 0.05 0.00 0.00 54.13 52.54 3lqy s LEU 150 Cb 0.00 1.16 -0.09 0.00 -2.05 0.00 0.00 46.19 45.21 3lqy s LEU 150 CO 0.00 -1.11 1.29 -1.81 -0.55 0.00 0.00 176.35 174.18 3lqy s ASP 151 N -3.17 6.89 0.18 1.48 1.01 -1.26 -4.09 116.67 117.71 3lqy s ASP 151 Ca 0.32 2.47 0.10 0.00 0.71 0.00 0.00 52.55 56.15 3lqy s ASP 151 Cb 0.02 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3lqy s ASP 151 CO 0.16 -0.50 -0.19 -0.76 0.21 0.00 0.00 175.17 174.09 3lqy s LEU 152 N -0.67 2.63 0.01 1.23 1.43 -0.50 -4.92 118.68 117.89 3lqy s LEU 152 Ca 0.54 -0.75 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3lqy s LEU 152 Cb -0.37 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3lqy s LEU 152 CO 0.42 0.12 -0.14 -0.70 0.23 0.00 0.00 176.35 176.28 3lqy s GLU 153 N -2.69 1.02 -0.14 1.70 -6.30 -1.26 0.47 118.70 111.50 3lqy s GLU 153 Ca 0.22 -0.62 -0.05 0.00 -2.50 0.00 0.00 54.97 52.02 3lqy s GLU 153 Cb -0.08 -1.01 0.07 0.00 0.00 0.00 0.00 34.13 33.10 3lqy s GLU 153 CO 0.12 0.26 0.29 0.12 0.02 0.00 0.00 175.26 176.07 3lqy s PHE 154 N -0.57 -0.48 -1.50 5.30 5.36 0.14 -4.95 117.98 121.28 3lqy s PHE 154 Ca 0.04 1.05 -0.02 0.00 -0.96 0.00 0.00 56.93 57.03 3lqy s PHE 154 Cb -0.06 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.66 3lqy s PHE 154 CO 0.00 -0.36 0.26 -1.71 -1.46 0.00 0.00 175.22 171.96 3lqy n ASN 155 N 5.20 0.03 0.00 6.13 5.15 -1.26 -0.13 115.26 130.38 3lqy n ASN 155 Ca -0.09 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.76 3lqy n ASN 155 Cb 0.50 -2.37 0.00 0.00 -0.53 0.00 0.00 39.78 37.38 3lqy n ASN 155 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3lqy n GLY 156 N -2.18 1.71 3.66 8.20 0.00 -1.26 -5.04 105.19 110.27 3lqy n GLY 156 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3lqy n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lqy s ILE 157 N -2.34 5.11 -0.23 -0.61 1.01 0.82 -5.07 121.20 119.88 3lqy s ILE 157 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 3lqy s ILE 157 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3lqy s ILE 157 CO 0.00 0.41 0.07 -0.89 0.00 0.00 0.00 174.94 174.53 3lqy s THR 158 N 0.68 4.46 -0.27 2.92 2.01 -1.26 0.24 115.64 124.42 3lqy s THR 158 Ca 0.06 -0.13 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 3lqy s THR 158 Cb -0.13 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3lqy s THR 158 CO 0.01 0.36 0.04 -0.69 -0.69 0.00 0.00 174.62 173.66 3lqy s VAL 159 N 1.33 3.79 0.79 3.82 1.01 0.18 -4.98 120.40 126.33 3lqy s VAL 159 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3lqy s VAL 159 Cb -0.15 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.41 3lqy s VAL 159 CO 0.04 0.17 1.19 -2.84 0.00 0.00 0.00 175.10 173.66 3lqy s PRO 160 N 1.49 1.78 0.35 2.72 0.02 -1.26 -1.42 135.00 138.69 3lqy s PRO 160 Ca 0.03 1.68 0.10 0.00 0.02 0.00 0.00 61.00 62.83 3lqy s PRO 160 Cb -0.16 -1.80 0.87 0.00 0.02 0.00 0.00 34.50 33.42 3lqy s PRO 160 CO 0.01 -2.09 1.83 0.00 -0.33 0.00 0.00 177.00 176.42 3lqy h ALA 161 N -0.83 1.89 -0.31 -1.55 0.00 -1.92 -0.89 119.26 115.65 3lqy h ALA 161 Ca -0.46 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3lqy h ALA 161 Cb 1.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3lqy h ALA 161 CO 0.47 -0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.58 3lqy h ALA 162 N 1.61 1.52 0.09 0.00 0.00 -1.90 -0.99 119.26 119.60 3lqy h ALA 162 Ca 0.51 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 55.00 3lqy h ALA 162 Cb 0.94 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3lqy h ALA 162 CO -0.26 0.35 -1.37 1.96 0.00 0.00 0.00 179.25 179.93 3lqy h GLN 163 N 0.45 0.19 0.25 0.00 4.20 -1.55 -1.52 115.11 117.12 3lqy h GLN 163 Ca 0.10 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 3lqy h GLN 163 Cb 0.21 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3lqy h GLN 163 CO -0.00 1.07 -0.19 0.28 -0.67 0.00 0.00 178.83 179.32 3lqy h VAL 164 N 0.05 0.58 -0.37 -0.54 2.07 -0.98 -1.22 116.25 115.84 3lqy h VAL 164 Ca -0.17 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3lqy h VAL 164 Cb 1.96 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 3lqy h VAL 164 CO 0.16 0.00 0.07 -0.74 0.02 0.00 0.00 177.57 177.08 3lqy h HIS 165 N -0.45 0.11 -0.68 1.57 -0.00 -1.25 -1.67 115.15 112.78 3lqy h HIS 165 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 3lqy h HIS 165 Cb 0.40 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.79 3lqy h HIS 165 CO -0.12 0.01 0.34 0.00 -0.00 0.00 0.00 177.93 178.16 3lqy h ALA 166 N 1.29 0.87 -0.31 5.26 0.00 -1.15 -2.96 119.26 122.26 3lqy h ALA 166 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3lqy h ALA 166 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3lqy h ALA 166 CO -0.24 0.42 0.13 0.00 0.00 0.00 0.00 179.25 179.55 3lqy h ALA 167 N 1.16 0.41 0.00 0.00 0.00 -0.83 0.30 119.26 120.30 3lqy h ALA 167 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lqy h ALA 167 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3lqy h ALA 167 CO -0.03 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.41 3lqy n PHE 168 N -4.73 0.00 0.00 0.00 3.01 -0.66 -0.93 117.46 114.15 3lqy n PHE 168 Ca -0.02 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.31 3lqy n PHE 168 Cb 0.13 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 3lqy n PHE 168 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3lqy n SER 170 N 0.54 0.00 -0.15 4.37 2.88 0.09 -1.10 113.62 120.25 3lqy n SER 170 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3lqy n SER 170 Cb 0.18 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.65 3lqy n SER 170 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lqy h ALA 171 N 0.00 0.58 -0.10 -1.46 0.00 -1.27 -2.93 119.26 114.09 3lqy h ALA 171 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3lqy h ALA 171 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3lqy h ALA 171 CO 0.00 0.07 -0.60 -0.07 0.00 0.00 0.00 179.25 178.65 3lqy h LEU 172 N 0.60 0.36 -9.64 0.00 3.38 -1.38 -3.40 115.31 105.24 3lqy h LEU 172 Ca 0.16 -0.20 -0.52 0.00 0.09 0.00 0.00 57.88 57.41 3lqy h LEU 172 Cb -0.00 -0.10 0.05 0.00 0.09 0.00 0.00 40.66 40.70 3lqy h LEU 172 CO -0.03 0.87 0.96 -0.55 0.09 0.00 0.00 178.44 179.78 3lqy s SER 173 N -6.91 6.46 0.00 -0.43 0.15 -1.11 -0.87 113.70 110.99 3lqy s SER 173 Ca -0.05 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.38 3lqy s SER 173 Cb 0.12 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3lqy s SER 173 CO 0.81 -0.92 0.00 0.49 1.20 0.00 0.00 173.24 174.82 3lqy n PHE 174 N 3.98 0.00 -0.19 3.44 3.01 -0.17 -4.51 117.46 123.03 3lqy n PHE 174 Ca 0.15 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.51 3lqy n PHE 174 Cb 0.36 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.85 3lqy n PHE 174 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3lqy h ALA 175 N 0.00 0.76 0.00 4.37 0.00 -1.75 -3.39 119.26 119.25 3lqy h ALA 175 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3lqy h ALA 175 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3lqy h ALA 175 CO 0.00 0.68 -0.67 0.66 0.00 0.00 0.00 179.25 179.91 3lqy n TYR 176 N -4.14 0.00 -3.63 0.00 4.02 -0.43 -5.09 117.16 107.88 3lqy n TYR 176 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.79 3lqy n TYR 176 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.68 3lqy n TYR 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3lqy s ALA 177 N -1.57 -1.01 -0.40 -0.72 0.00 -0.05 -4.42 121.76 113.60 3lqy s ALA 177 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 3lqy s ALA 177 Cb 0.00 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.68 3lqy s ALA 177 CO 0.00 -0.57 1.36 1.21 0.00 0.00 0.00 175.76 177.76 3lqy s ASN 178 N -2.46 6.42 -0.27 0.00 2.47 -0.22 -1.00 114.94 119.89 3lqy s ASN 178 Ca -0.01 0.85 -0.09 0.00 0.42 0.00 0.00 52.86 54.03 3lqy s ASN 178 Cb 0.01 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.23 3lqy s ASN 178 CO -0.08 -1.36 0.13 -0.69 -3.72 0.00 0.00 177.10 171.38 3lqy s VAL 179 N 5.15 4.76 0.25 -5.21 1.01 -1.26 -0.74 120.40 124.35 3lqy s VAL 179 Ca 0.59 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 3lqy s VAL 179 Cb -0.13 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3lqy s VAL 179 CO 0.31 0.28 0.59 0.00 0.00 0.00 0.00 175.10 176.28 3lqy s ALA 180 N 1.68 -0.84 0.50 5.51 0.00 -0.77 -4.97 121.76 122.87 3lqy s ALA 180 Ca 0.06 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 3lqy s ALA 180 Cb -0.16 0.93 -0.07 0.00 0.00 0.00 0.00 23.12 23.82 3lqy s ALA 180 CO 0.07 -0.92 1.12 0.45 0.00 0.00 0.00 175.76 176.48 3lqy s SER 181 N -2.94 6.04 0.24 0.00 0.15 -1.26 -1.50 113.70 114.43 3lqy s SER 181 Ca 0.14 2.17 -0.11 0.00 0.70 0.00 0.00 55.95 58.86 3lqy s SER 181 Cb -0.03 -2.59 0.35 0.00 -1.71 0.00 0.00 66.02 62.04 3lqy s SER 181 CO 0.05 -1.00 1.60 0.00 1.20 0.00 0.00 173.24 175.09 3lqy h ALA 182 N 1.63 0.54 -0.71 5.45 0.00 -1.93 0.11 119.26 124.36 3lqy h ALA 182 Ca -0.50 0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3lqy h ALA 182 Cb 1.25 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 3lqy h ALA 182 CO 0.59 -0.41 0.20 -0.44 0.00 0.00 0.00 179.25 179.19 3lqy h ASP 183 N 0.00 1.05 -0.48 0.00 3.32 -1.94 0.46 116.42 118.83 3lqy h ASP 183 Ca 0.39 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3lqy h ASP 183 Cb 0.60 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3lqy h ASP 183 CO -0.83 0.99 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.32 3lqy h GLU 184 N 1.06 0.92 -0.09 3.56 5.08 -1.76 0.11 114.58 123.45 3lqy h GLU 184 Ca 0.23 -0.28 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 3lqy h GLU 184 Cb 0.33 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3lqy h GLU 184 CO -0.00 0.93 -0.75 -0.07 -1.00 0.00 0.00 179.01 178.11 3lqy h LEU 185 N 0.84 0.58 -0.09 1.33 3.38 -0.18 -3.16 115.31 118.02 3lqy h LEU 185 Ca 0.15 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3lqy h LEU 185 Cb 0.54 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3lqy h LEU 185 CO 0.03 1.14 0.04 0.40 0.09 0.00 0.00 178.44 180.14 3lqy h ILE 186 N 0.33 1.13 0.00 1.22 2.04 0.17 -2.73 117.51 119.67 3lqy h ILE 186 Ca -0.04 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3lqy h ILE 186 Cb 1.34 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3lqy h ILE 186 CO 0.14 0.11 0.28 0.00 0.00 0.00 0.00 178.15 178.68 3lqy n ALA 187 N -2.19 0.60 0.13 1.87 0.00 0.34 -5.09 120.51 116.17 3lqy n ALA 187 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.49 3lqy n ALA 187 Cb 0.10 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 18.84 3lqy n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91