#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqv s GLN 9 N 0.00 3.72 0.06 3.23 -0.21 -1.26 -4.19 119.66 121.01 1lqv s GLN 9 Ca 0.00 -2.15 -0.13 0.00 0.02 0.00 0.00 55.36 53.10 1lqv s GLN 9 Cb 0.00 -4.81 0.02 0.00 1.00 0.00 0.00 33.01 29.22 1lqv s GLN 9 CO 0.00 -1.63 0.30 -0.98 -2.12 0.00 0.00 175.29 170.86 1lqv s ARG 10 N 1.69 0.86 -0.10 2.91 1.70 -1.26 -0.56 118.95 124.19 1lqv s ARG 10 Ca 0.31 -0.61 -0.01 0.00 -0.47 0.00 0.00 55.73 54.94 1lqv s ARG 10 Cb -0.06 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.72 1lqv s ARG 10 CO -0.08 -0.29 -0.03 -1.17 -1.08 0.00 0.00 175.30 172.65 1lqv s LEU 11 N -2.32 0.91 0.03 -1.89 2.96 -0.72 -0.84 118.68 116.81 1lqv s LEU 11 Ca -0.02 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 1lqv s LEU 11 Cb 0.01 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 1lqv s LEU 11 CO -0.06 -0.16 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.62 1lqv s HIS 12 N 1.84 2.53 -0.01 5.38 3.76 -0.34 -1.50 115.29 126.95 1lqv s HIS 12 Ca 0.05 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.71 1lqv s HIS 12 Cb -0.13 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.09 1lqv s HIS 12 CO -0.07 0.22 -0.09 -1.64 -0.85 0.00 0.00 174.74 172.31 1lqv s MET 13 N -1.33 0.83 -0.06 1.40 -1.94 0.12 -0.99 119.30 117.32 1lqv s MET 13 Ca 0.14 -0.33 0.03 0.00 -1.71 0.00 0.00 55.69 53.81 1lqv s MET 13 Cb -0.10 -0.80 0.01 0.00 2.01 0.00 0.00 34.83 35.95 1lqv s MET 13 CO 0.04 0.18 -0.13 -1.17 -0.01 0.00 0.00 175.02 173.93 1lqv s LEU 14 N -0.10 1.71 -0.12 -0.03 2.96 0.15 -1.37 118.68 121.87 1lqv s LEU 14 Ca 0.02 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1lqv s LEU 14 Cb -0.05 -0.86 0.03 0.00 0.50 0.00 0.00 46.19 45.80 1lqv s LEU 14 CO -0.00 0.05 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.41 1lqv s GLN 15 N 0.55 1.70 -0.17 1.98 0.74 0.24 -1.01 119.66 123.70 1lqv s GLN 15 Ca -0.13 -0.34 -0.03 0.00 0.05 0.00 0.00 55.36 54.91 1lqv s GLN 15 Cb -0.15 -1.73 -0.02 0.00 1.10 0.00 0.00 33.01 32.21 1lqv s GLN 15 CO 0.04 -0.27 -0.06 0.42 -0.55 0.00 0.00 175.29 174.86 1lqv s ILE 16 N 1.65 3.52 -0.18 -2.34 1.01 0.93 -0.25 121.20 125.55 1lqv s ILE 16 Ca 0.05 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1lqv s ILE 16 Cb -0.13 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.83 1lqv s ILE 16 CO -0.09 0.48 -0.12 -0.44 0.00 0.00 0.00 174.94 174.77 1lqv s SER 17 N 0.67 3.13 -0.39 3.58 0.01 0.12 -0.89 113.70 119.93 1lqv s SER 17 Ca -0.04 -0.73 -0.13 0.00 1.31 0.00 0.00 55.95 56.37 1lqv s SER 17 Cb -0.15 -1.23 0.03 0.00 0.21 0.00 0.00 66.02 64.88 1lqv s SER 17 CO 0.02 -0.10 0.25 -0.31 0.41 0.00 0.00 173.24 173.51 1lqv s TYR 18 N 1.42 3.24 -0.35 2.43 1.51 -0.05 -0.84 117.35 124.72 1lqv s TYR 18 Ca 0.01 -0.82 -0.13 0.00 -1.01 0.00 0.00 57.07 55.12 1lqv s TYR 18 Cb -0.15 -2.51 -0.01 0.00 -0.11 0.00 0.00 41.96 39.18 1lqv s TYR 18 CO -0.09 -0.63 0.25 -0.06 -1.11 0.00 0.00 175.55 173.90 1lqv s PHE 19 N 1.60 3.23 0.01 2.71 0.40 0.01 -0.75 117.98 125.19 1lqv s PHE 19 Ca 0.03 -0.25 0.10 0.00 -0.60 0.00 0.00 56.93 56.22 1lqv s PHE 19 Cb -0.19 -2.49 -0.10 0.00 0.51 0.00 0.00 43.02 40.75 1lqv s PHE 19 CO 0.08 -0.38 1.34 0.07 0.70 0.00 0.00 175.22 177.02 1lqv h ARG 20 N 8.51 0.00 -3.32 0.44 0.11 -1.81 -2.14 114.38 116.17 1lqv h ARG 20 Ca -0.31 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.71 1lqv h ARG 20 Cb 1.15 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.20 1lqv h ARG 20 CO 0.64 0.79 0.12 0.16 0.10 0.00 0.00 179.97 181.79 1lqv s ASP 21 N -6.60 0.16 0.63 0.08 1.47 -1.25 -4.18 116.67 106.97 1lqv s ASP 21 Ca 0.02 -1.11 0.40 0.00 1.18 0.00 0.00 52.55 53.04 1lqv s ASP 21 Cb 0.09 0.76 2.09 0.00 -0.34 0.00 0.00 42.92 45.52 1lqv s ASP 21 CO 0.79 -1.49 2.26 -0.65 0.68 0.00 0.00 175.17 176.76 1lqv h PRO 22 N 2.05 0.00 -0.01 2.11 0.11 -1.98 -3.20 132.00 131.09 1lqv h PRO 22 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1lqv h PRO 22 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1lqv h PRO 22 CO 0.37 0.01 -0.70 0.66 -0.21 0.00 0.00 178.00 178.12 1lqv n TYR 23 N -3.16 0.00 -4.28 0.65 4.02 -1.26 -4.67 117.16 108.46 1lqv n TYR 23 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 1lqv n TYR 23 Cb 0.14 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.30 1lqv n TYR 23 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1lqv s HIS 24 N -2.65 0.78 0.01 -0.72 3.76 -1.21 -5.05 115.29 110.22 1lqv s HIS 24 Ca 0.13 -0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1lqv s HIS 24 Cb 0.16 -0.58 -0.01 0.00 1.11 0.00 0.00 32.58 33.26 1lqv s HIS 24 CO 0.69 -0.10 -0.00 0.54 -0.85 0.00 0.00 174.74 175.01 1lqv s VAL 25 N 0.30 0.07 -0.12 -0.90 0.11 -1.26 -2.76 120.40 115.83 1lqv s VAL 25 Ca -0.04 -0.56 0.01 0.00 -2.93 0.00 0.00 61.98 58.46 1lqv s VAL 25 Cb -0.09 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 1lqv s VAL 25 CO 0.00 -0.31 -0.17 0.86 -3.33 0.00 0.00 175.10 172.15 1lqv s TRP 26 N -0.91 2.72 0.01 1.54 -0.11 0.07 -2.64 118.94 119.63 1lqv s TRP 26 Ca -0.10 -0.83 0.01 0.00 1.22 0.00 0.00 56.10 56.40 1lqv s TRP 26 Cb -0.06 -1.80 -0.04 0.00 -1.50 0.00 0.00 33.47 30.07 1lqv s TRP 26 CO -0.00 -0.31 0.04 0.71 -4.62 0.00 0.00 176.95 172.76 1lqv s TYR 27 N 0.39 3.16 -0.09 5.86 2.02 0.46 -0.87 117.35 128.29 1lqv s TYR 27 Ca -0.13 0.12 -0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1lqv s TYR 27 Cb -0.17 -1.68 0.05 0.00 -0.40 0.00 0.00 41.96 39.76 1lqv s TYR 27 CO 0.06 0.50 0.13 -1.14 -1.57 0.00 0.00 175.55 173.54 1lqv s GLN 28 N -1.79 0.02 0.21 -0.62 0.74 -0.07 -1.53 119.66 116.62 1lqv s GLN 28 Ca 0.22 0.41 -0.14 0.00 0.05 0.00 0.00 55.36 55.91 1lqv s GLN 28 Cb -0.12 -0.59 0.01 0.00 1.10 0.00 0.00 33.01 33.41 1lqv s GLN 28 CO 0.14 -0.38 0.46 0.20 -0.55 0.00 0.00 175.29 175.15 1lqv s GLY 29 N 2.24 0.25 -0.01 2.59 0.00 0.11 -0.05 107.32 112.45 1lqv s GLY 29 Ca 0.04 -0.60 -0.28 0.00 0.00 0.00 0.00 44.72 43.88 1lqv s GLY 29 CO -0.06 -0.51 0.82 0.54 0.00 0.00 0.00 173.10 173.89 1lqv s ASN 30 N -2.94 -0.45 0.10 1.64 4.22 -0.18 -0.56 114.94 116.75 1lqv s ASN 30 Ca 0.15 0.20 0.06 0.00 -2.14 0.00 0.00 52.86 51.13 1lqv s ASN 30 Cb -0.00 0.43 -0.03 0.00 1.28 0.00 0.00 41.25 42.93 1lqv s ASN 30 CO 0.02 -0.63 -0.16 0.00 -2.04 0.00 0.00 177.10 174.30 1lqv s ALA 31 N -2.50 1.42 -0.04 3.54 0.00 -0.64 -0.67 121.76 122.87 1lqv s ALA 31 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1lqv s ALA 31 Cb -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1lqv s ALA 31 CO -0.04 0.19 -0.10 -1.12 0.00 0.00 0.00 175.76 174.69 1lqv s SER 32 N -2.01 1.40 -0.21 0.00 0.01 -0.16 -0.98 113.70 111.74 1lqv s SER 32 Ca 0.03 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 1lqv s SER 32 Cb -0.08 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.65 1lqv s SER 32 CO 0.03 0.05 -0.06 -0.22 0.41 0.00 0.00 173.24 173.45 1lqv s LEU 33 N 0.39 2.81 -1.57 2.44 2.96 0.00 -1.20 118.68 124.51 1lqv s LEU 33 Ca -0.07 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 1lqv s LEU 33 Cb -0.11 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1lqv s LEU 33 CO 0.01 -0.01 0.49 0.61 -1.32 0.00 0.00 176.35 176.13 1lqv n GLY 34 N 4.75 -0.52 2.46 7.98 0.00 -0.02 -1.56 105.19 118.29 1lqv n GLY 34 Ca -0.18 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1lqv n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqv n GLY 35 N -1.40 1.58 3.68 -0.02 0.00 -1.26 -4.58 105.19 103.19 1lqv n GLY 35 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1lqv n GLY 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lqv s HIS 36 N -3.29 3.33 -0.32 1.61 5.65 -0.60 -5.04 115.29 116.63 1lqv s HIS 36 Ca 0.00 0.20 -0.29 0.00 0.25 0.00 0.00 55.06 55.22 1lqv s HIS 36 Cb 0.00 -2.11 -0.01 0.00 -1.18 0.00 0.00 32.58 29.28 1lqv s HIS 36 CO 0.00 0.23 1.55 -1.17 -0.65 0.00 0.00 174.74 174.70 1lqv s LEU 37 N 0.31 3.70 -0.02 8.88 0.20 -1.26 -0.82 118.68 129.67 1lqv s LEU 37 Ca 0.06 1.22 0.13 0.00 0.69 0.00 0.00 54.13 56.23 1lqv s LEU 37 Cb -0.12 -3.53 -0.20 0.00 -0.43 0.00 0.00 46.19 41.90 1lqv s LEU 37 CO -0.01 -1.40 0.31 0.35 -0.29 0.00 0.00 176.35 175.32 1lqv n THR 38 N 6.84 0.00 -3.97 3.68 -2.24 -0.15 -4.91 114.28 113.54 1lqv n THR 38 Ca 0.18 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1lqv n THR 38 Cb 0.47 0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 1lqv n THR 38 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1lqv s HIS 39 N -2.89 0.23 -0.02 4.78 3.76 -1.08 0.06 115.29 120.13 1lqv s HIS 39 Ca -0.04 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 1lqv s HIS 39 Cb 0.09 -0.17 -0.00 0.00 1.11 0.00 0.00 32.58 33.60 1lqv s HIS 39 CO 0.56 -0.17 -0.11 0.08 -0.85 0.00 0.00 174.74 174.25 1lqv s VAL 40 N -1.32 0.90 -0.07 -0.90 1.01 -0.97 -1.62 120.40 117.44 1lqv s VAL 40 Ca -0.14 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1lqv s VAL 40 Cb -0.09 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1lqv s VAL 40 CO -0.01 0.27 -0.16 -0.22 0.00 0.00 0.00 175.10 174.98 1lqv s LEU 41 N 0.02 1.80 -0.21 3.92 0.20 0.27 -1.26 118.68 123.43 1lqv s LEU 41 Ca -0.01 -0.37 -0.27 0.00 0.69 0.00 0.00 54.13 54.18 1lqv s LEU 41 Cb -0.08 -0.98 0.09 0.00 -0.43 0.00 0.00 46.19 44.79 1lqv s LEU 41 CO 0.00 0.09 0.80 -0.70 -0.29 0.00 0.00 176.35 176.25 1lqv s GLU 42 N 0.45 0.80 0.00 1.98 2.12 -0.31 0.07 118.70 123.82 1lqv s GLU 42 Ca -0.13 0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.87 1lqv s GLU 42 Cb -0.15 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1lqv s GLU 42 CO 0.05 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1lqv n GLY 43 N 2.00 0.96 3.16 -1.50 0.00 -0.58 -0.47 105.19 108.76 1lqv n GLY 43 Ca -0.15 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 1lqv n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lqv n PRO 44 N -1.57 -3.83 0.00 1.61 -0.02 -1.19 -0.40 135.00 129.60 1lqv n PRO 44 Ca 0.00 -1.13 0.13 0.00 -2.02 0.00 0.00 63.50 60.48 1lqv n PRO 44 Cb 0.00 -1.78 0.41 0.00 -0.02 0.00 0.00 33.50 32.12 1lqv n PRO 44 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1lqv n ASP 45 N -4.13 1.65 -0.05 2.55 5.75 -1.08 -3.27 116.55 117.98 1lqv n ASP 45 Ca 0.10 -1.46 -0.13 0.00 -0.01 0.00 0.00 54.79 53.29 1lqv n ASP 45 Cb 0.50 0.04 -0.14 0.00 -1.03 0.00 0.00 41.12 40.50 1lqv n ASP 45 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1lqv n THR 46 N 0.18 1.59 -3.14 2.12 -2.24 -1.26 -4.82 114.28 106.71 1lqv n THR 46 Ca 0.17 -0.74 0.02 0.00 -2.27 0.00 0.00 64.05 61.22 1lqv n THR 46 Cb 0.39 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 1lqv n THR 46 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1lqv s ASN 47 N -6.25 -1.37 -0.32 3.42 2.47 -1.24 -5.11 114.94 106.53 1lqv s ASN 47 Ca -0.14 -0.49 -0.16 0.00 0.42 0.00 0.00 52.86 52.49 1lqv s ASN 47 Cb 0.07 1.77 -0.02 0.00 -1.45 0.00 0.00 41.25 41.63 1lqv s ASN 47 CO 0.78 -0.18 0.39 -0.89 -3.72 0.00 0.00 177.10 173.49 1lqv s THR 48 N 2.09 5.14 0.06 -5.21 2.01 -1.20 -3.20 115.64 115.33 1lqv s THR 48 Ca 0.15 0.27 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 1lqv s THR 48 Cb -0.04 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 1lqv s THR 48 CO -0.12 -0.03 0.60 -0.89 -0.69 0.00 0.00 174.62 173.48 1lqv s THR 49 N 2.11 4.75 -0.09 -0.82 2.01 0.38 -4.91 115.64 119.07 1lqv s THR 49 Ca 0.14 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 1lqv s THR 49 Cb -0.16 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.44 1lqv s THR 49 CO 0.11 0.52 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.89 1lqv s ILE 50 N -0.87 0.69 0.06 1.82 1.01 -1.26 -1.16 121.20 121.49 1lqv s ILE 50 Ca 0.30 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.93 1lqv s ILE 50 Cb -0.20 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1lqv s ILE 50 CO 0.19 0.31 -0.16 0.27 0.00 0.00 0.00 174.94 175.55 1lqv s ILE 51 N 1.81 1.31 -0.24 2.92 -4.36 -0.39 -5.01 121.20 117.24 1lqv s ILE 51 Ca 0.04 -1.23 -0.09 0.00 -0.26 0.00 0.00 60.65 59.11 1lqv s ILE 51 Cb -0.12 -1.20 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 1lqv s ILE 51 CO -0.06 -0.05 0.11 0.00 0.24 0.00 0.00 174.94 175.18 1lqv s GLN 52 N -1.49 3.88 0.50 0.37 -2.07 -1.26 -2.29 119.66 117.31 1lqv s GLN 52 Ca 0.02 -0.37 0.29 0.00 -1.82 0.00 0.00 55.36 53.48 1lqv s GLN 52 Cb -0.09 -3.41 1.17 0.00 -1.09 0.00 0.00 33.01 29.58 1lqv s GLN 52 CO 0.02 -0.02 1.92 -0.07 -1.32 0.00 0.00 175.29 175.82 1lqv h LEU 53 N 7.73 0.00 -8.62 2.60 3.38 -0.73 -3.43 115.31 116.25 1lqv h LEU 53 Ca -0.37 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.00 1lqv h LEU 53 Cb 1.18 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.68 1lqv h LEU 53 CO 0.62 0.11 -0.84 -1.10 0.09 0.00 0.00 178.44 177.31 1lqv s GLN 54 N -3.69 1.38 -1.54 1.13 -0.21 -1.26 -5.04 119.66 110.43 1lqv s GLN 54 Ca 0.01 -1.04 -0.12 0.00 0.02 0.00 0.00 55.36 54.23 1lqv s GLN 54 Cb 0.10 -1.56 -0.02 0.00 1.00 0.00 0.00 33.01 32.52 1lqv s GLN 54 CO 0.59 0.39 2.58 -0.35 -2.12 0.00 0.00 175.29 176.38 1lqv n PRO 55 N 1.61 3.25 -0.21 2.91 -0.04 -1.26 -4.59 135.00 136.67 1lqv n PRO 55 Ca -0.18 -2.40 -0.08 0.00 -0.04 0.00 0.00 63.50 60.80 1lqv n PRO 55 Cb 0.53 -3.05 0.03 0.00 -0.04 0.00 0.00 33.50 30.97 1lqv n PRO 55 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1lqv h LEU 56 N 8.57 0.93 -9.22 1.53 3.38 -1.96 -3.42 115.31 115.12 1lqv h LEU 56 Ca 0.72 -0.24 -0.68 0.00 0.09 0.00 0.00 57.88 57.77 1lqv h LEU 56 Cb 0.47 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 40.81 1lqv h LEU 56 CO 1.84 0.93 -0.66 -1.10 0.09 0.00 0.00 178.44 179.54 1lqv s GLN 57 N -5.27 2.81 0.92 1.13 -0.21 -1.26 -5.04 119.66 112.74 1lqv s GLN 57 Ca -0.12 -0.53 -0.11 0.00 0.02 0.00 0.00 55.36 54.61 1lqv s GLN 57 Cb 0.13 -2.66 0.14 0.00 1.00 0.00 0.00 33.01 31.62 1lqv s GLN 57 CO 0.82 0.66 1.10 -1.21 -2.12 0.00 0.00 175.29 174.54 1lqv s GLU 58 N -1.04 1.05 0.14 2.91 0.41 -1.26 -4.63 118.70 116.28 1lqv s GLU 58 Ca 0.14 1.08 -0.24 0.00 -0.41 0.00 0.00 54.97 55.55 1lqv s GLU 58 Cb -0.11 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 1lqv s GLU 58 CO 0.04 -2.46 1.62 -1.35 -0.49 0.00 0.00 175.26 172.62 1lqv h PRO 59 N -1.72 -0.30 -0.40 0.39 0.11 -1.98 -0.03 132.00 128.06 1lqv h PRO 59 Ca -0.49 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1lqv h PRO 59 Cb 1.28 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.44 1lqv h PRO 59 CO 0.50 -0.20 0.17 1.49 -0.21 0.00 0.00 178.00 179.75 1lqv h GLU 60 N -0.31 0.60 -0.57 1.05 4.81 -1.99 -0.42 114.58 117.75 1lqv h GLU 60 Ca 0.12 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1lqv h GLU 60 Cb 0.49 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1lqv h GLU 60 CO -0.36 0.55 0.18 1.03 -0.73 0.00 0.00 179.01 179.68 1lqv h SER 61 N 0.51 0.83 -0.63 1.04 0.87 -1.85 -2.15 113.55 112.17 1lqv h SER 61 Ca 0.14 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1lqv h SER 61 Cb 0.16 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1lqv h SER 61 CO -0.01 0.81 0.08 -0.25 -0.53 0.00 0.00 176.83 176.93 1lqv h TRP 62 N 0.80 1.15 -0.71 2.24 -0.00 -0.91 -2.25 115.95 116.27 1lqv h TRP 62 Ca 0.19 -0.17 -0.05 0.00 -0.00 0.00 0.00 58.89 58.86 1lqv h TRP 62 Cb 0.28 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 29.09 1lqv h TRP 62 CO 0.02 0.97 0.26 0.00 -0.00 0.00 0.00 178.44 179.69 1lqv h ALA 63 N 1.07 1.12 -0.47 2.65 0.00 -0.83 0.27 119.26 123.08 1lqv h ALA 63 Ca 0.19 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1lqv h ALA 63 Cb 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1lqv h ALA 63 CO 0.02 0.62 -0.09 0.00 0.00 0.00 0.00 179.25 179.79 1lqv h ARG 64 N 1.03 0.85 -0.35 0.00 3.08 -1.20 -1.51 114.38 116.28 1lqv h ARG 64 Ca 0.24 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1lqv h ARG 64 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1lqv h ARG 64 CO -0.02 0.91 -0.25 1.15 -1.07 0.00 0.00 179.97 180.70 1lqv h THR 65 N 0.77 1.29 -0.68 2.04 2.02 -0.86 -2.48 112.91 115.00 1lqv h THR 65 Ca 0.13 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.91 1lqv h THR 65 Cb 0.60 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1lqv h THR 65 CO 0.04 0.46 0.41 1.56 0.37 0.00 0.00 175.52 178.36 1lqv h GLN 66 N 0.58 0.92 -0.80 6.66 4.20 -0.83 -1.39 115.11 124.45 1lqv h GLN 66 Ca 0.07 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1lqv h GLN 66 Cb 0.81 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1lqv h GLN 66 CO 0.07 0.65 0.52 1.03 -0.67 0.00 0.00 178.83 180.43 1lqv h SER 67 N 0.92 0.89 -0.48 1.46 0.87 -1.10 0.41 113.55 116.52 1lqv h SER 67 Ca 0.24 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1lqv h SER 67 Cb -0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1lqv h SER 67 CO -0.05 0.63 -0.07 1.23 -0.53 0.00 0.00 176.83 178.04 1lqv h GLY 68 N 1.05 0.96 1.11 5.77 0.00 -1.05 -1.63 103.07 109.28 1lqv h GLY 68 Ca 0.30 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1lqv h GLY 68 CO -0.08 0.70 0.01 1.41 0.00 0.00 0.00 176.54 178.58 1lqv h LEU 69 N 0.74 1.04 -0.76 3.11 3.38 -0.75 -1.68 115.31 120.39 1lqv h LEU 69 Ca 0.13 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1lqv h LEU 69 Cb 0.61 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1lqv h LEU 69 CO 0.04 1.09 -0.09 1.56 0.09 0.00 0.00 178.44 181.13 1lqv h GLN 70 N 0.98 0.85 -0.54 1.13 1.08 -0.76 -1.16 115.11 116.68 1lqv h GLN 70 Ca 0.18 -0.28 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1lqv h GLN 70 Cb 0.55 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1lqv h GLN 70 CO 0.03 0.91 0.03 0.77 -0.95 0.00 0.00 178.83 179.61 1lqv h SER 71 N 0.77 0.91 -0.56 1.46 0.02 -1.16 -2.34 113.55 112.64 1lqv h SER 71 Ca 0.13 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1lqv h SER 71 Cb 0.59 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1lqv h SER 71 CO 0.04 0.98 0.35 0.22 -1.14 0.00 0.00 176.83 177.27 1lqv h TYR 72 N 0.81 0.66 -0.84 3.45 3.20 -0.91 -1.69 116.97 121.66 1lqv h TYR 72 Ca 0.16 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.05 1lqv h TYR 72 Cb 0.49 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1lqv h TYR 72 CO 0.04 0.39 0.55 -0.07 -1.64 0.00 0.00 178.16 177.43 1lqv h LEU 73 N 0.70 0.97 -0.90 2.82 3.38 -0.91 0.46 115.31 121.83 1lqv h LEU 73 Ca 0.22 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1lqv h LEU 73 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1lqv h LEU 73 CO -0.08 0.70 0.10 -0.07 0.09 0.00 0.00 178.44 179.18 1lqv h LEU 74 N 1.14 0.86 -0.29 1.67 3.38 -0.96 -0.61 115.31 120.49 1lqv h LEU 74 Ca 0.31 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 1lqv h LEU 74 Cb -0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1lqv h LEU 74 CO -0.07 0.86 -0.82 1.56 0.09 0.00 0.00 178.44 180.07 1lqv h GLN 75 N 0.86 0.44 -0.09 1.13 4.20 -0.82 -1.03 115.11 119.81 1lqv h GLN 75 Ca 0.18 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1lqv h GLN 75 Cb 0.37 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1lqv h GLN 75 CO 0.01 1.05 0.04 0.35 -0.67 0.00 0.00 178.83 179.60 1lqv h PHE 76 N 0.28 0.13 -0.63 2.96 3.57 -0.60 -0.23 116.94 122.42 1lqv h PHE 76 Ca -0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1lqv h PHE 76 Cb 1.42 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 1lqv h PHE 76 CO 0.05 0.23 0.34 1.25 -2.23 0.00 0.00 178.31 177.95 1lqv h HIS 77 N -0.01 0.86 -0.71 0.41 2.76 -1.05 -2.29 115.15 115.12 1lqv h HIS 77 Ca 0.03 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1lqv h HIS 77 Cb 0.15 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 28.78 1lqv h HIS 77 CO -0.02 0.62 0.42 0.78 -1.30 0.00 0.00 177.93 178.43 1lqv h GLY 78 N 0.85 1.04 1.14 5.26 0.00 -0.78 -1.07 103.07 109.51 1lqv h GLY 78 Ca 0.22 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1lqv h GLY 78 CO -0.04 0.22 0.16 -2.00 0.00 0.00 0.00 176.54 174.88 1lqv h LEU 79 N 0.79 1.01 -0.36 3.11 5.85 -0.72 0.42 115.31 125.41 1lqv h LEU 79 Ca 0.30 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1lqv h LEU 79 Cb 0.13 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1lqv h LEU 79 CO -0.15 0.97 0.07 0.58 -0.34 0.00 0.00 178.44 179.57 1lqv h VAL 80 N 1.02 1.23 -0.92 1.05 2.07 -1.00 -0.99 116.25 118.71 1lqv h VAL 80 Ca 0.21 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1lqv h VAL 80 Cb 0.36 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1lqv h VAL 80 CO 0.00 0.27 0.58 -0.09 0.02 0.00 0.00 177.57 178.36 1lqv h ARG 81 N 0.43 1.23 -0.33 1.57 2.43 -0.97 -1.47 114.38 117.27 1lqv h ARG 81 Ca 0.11 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1lqv h ARG 81 Cb 0.33 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1lqv h ARG 81 CO 0.00 0.84 0.12 1.25 -1.51 0.00 0.00 179.97 180.68 1lqv h LEU 82 N 1.26 0.46 -1.26 3.80 5.85 -0.43 -0.36 115.31 124.64 1lqv h LEU 82 Ca 0.33 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1lqv h LEU 82 Cb -0.10 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1lqv h LEU 82 CO -0.07 0.52 0.50 0.58 -0.34 0.00 0.00 178.44 179.63 1lqv h VAL 83 N 0.38 1.19 -0.03 1.05 2.07 -0.77 -0.61 116.25 119.53 1lqv h VAL 83 Ca 0.11 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1lqv h VAL 83 Cb 0.21 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1lqv h VAL 83 CO -0.01 0.18 0.00 -0.74 0.02 0.00 0.00 177.57 177.03 1lqv h HIS 84 N 1.01 0.05 0.00 1.57 -0.00 -0.85 0.45 115.15 117.39 1lqv h HIS 84 Ca 0.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 1lqv h HIS 84 Cb -0.11 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1lqv h HIS 84 CO -0.00 0.30 -0.06 1.96 -0.00 0.00 0.00 177.93 180.14 1lqv h GLN 85 N -0.22 0.00 0.00 5.26 4.20 -0.55 0.13 115.11 123.93 1lqv h GLN 85 Ca 0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.46 1lqv h GLN 85 Cb 0.28 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1lqv h GLN 85 CO 0.00 0.06 -2.08 0.39 -0.67 0.00 0.00 178.83 176.52 1lqv n GLU 86 N -4.26 0.67 0.00 1.46 -0.58 -0.28 -4.72 120.64 112.92 1lqv n GLU 86 Ca -0.03 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1lqv n GLU 86 Cb 0.14 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1lqv n GLU 86 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1lqv n ARG 87 N -2.72 2.65 -1.04 3.49 5.12 0.14 -5.09 116.66 119.22 1lqv n ARG 87 Ca -0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1lqv n ARG 87 Cb 0.99 -0.23 0.00 0.00 -1.16 0.00 0.00 32.46 32.06 1lqv n ARG 87 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1lqv n THR 88 N -0.38 -5.01 -4.21 0.55 -1.04 0.46 -4.89 114.28 99.76 1lqv n THR 88 Ca 0.00 0.87 -0.28 0.00 -2.04 0.00 0.00 64.05 62.61 1lqv n THR 88 Cb 0.00 -3.20 -0.08 0.00 -1.82 0.00 0.00 70.33 65.23 1lqv n THR 88 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1lqv s LEU 89 N -0.14 3.22 -0.36 -4.42 1.43 -1.26 -4.90 118.68 112.25 1lqv s LEU 89 Ca 0.00 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 1lqv s LEU 89 Cb 0.00 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1lqv s LEU 89 CO 0.00 0.12 0.53 0.00 0.23 0.00 0.00 176.35 177.23 1lqv s ALA 90 N -1.56 3.46 0.05 4.21 0.00 -1.26 -5.03 121.76 121.62 1lqv s ALA 90 Ca 0.25 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1lqv s ALA 90 Cb -0.10 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1lqv s ALA 90 CO 0.17 -1.32 0.23 -0.06 0.00 0.00 0.00 175.76 174.79 1lqv s PHE 91 N 2.45 3.53 0.53 0.00 0.40 -1.26 -4.31 117.98 119.32 1lqv s PHE 91 Ca 0.19 0.36 -0.19 0.00 -0.60 0.00 0.00 56.93 56.70 1lqv s PHE 91 Cb -0.15 -1.84 -0.06 0.00 0.51 0.00 0.00 43.02 41.47 1lqv s PHE 91 CO 0.14 0.58 1.07 -2.14 0.70 0.00 0.00 175.22 175.58 1lqv s PRO 92 N -2.29 3.52 0.05 0.24 0.02 -1.26 -5.03 135.00 130.24 1lqv s PRO 92 Ca 0.33 1.41 -0.04 0.00 0.02 0.00 0.00 61.00 62.71 1lqv s PRO 92 Cb -0.13 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.33 1lqv s PRO 92 CO 0.24 -0.68 0.07 -0.48 -0.33 0.00 0.00 177.00 175.82 1lqv s LEU 93 N -3.85 1.94 -0.09 -5.54 0.05 -0.80 -5.02 118.68 105.37 1lqv s LEU 93 Ca 0.68 -0.65 0.03 0.00 0.05 0.00 0.00 54.13 54.24 1lqv s LEU 93 Cb -0.19 0.53 0.01 0.00 -2.05 0.00 0.00 46.19 44.49 1lqv s LEU 93 CO 0.26 -0.54 -0.18 -0.89 -0.55 0.00 0.00 176.35 174.45 1lqv s THR 94 N -2.99 1.61 -0.09 5.48 2.01 -1.26 -0.81 115.64 119.59 1lqv s THR 94 Ca -0.02 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1lqv s THR 94 Cb 0.01 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1lqv s THR 94 CO -0.06 0.46 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.56 1lqv s ILE 95 N 0.59 3.08 -0.17 1.82 1.01 -0.02 -0.09 121.20 127.42 1lqv s ILE 95 Ca -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1lqv s ILE 95 Cb -0.17 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1lqv s ILE 95 CO 0.05 0.56 -0.16 -0.60 0.00 0.00 0.00 174.94 174.79 1lqv s ARG 96 N -0.22 3.16 -0.18 2.79 3.52 0.08 -0.70 118.95 127.40 1lqv s ARG 96 Ca 0.01 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.82 1lqv s ARG 96 Cb -0.13 -2.65 -0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1lqv s ARG 96 CO 0.03 -0.08 -0.08 0.00 -0.81 0.00 0.00 175.30 174.36 1lqv s PHE 98 N 0.90 2.37 0.15 0.00 5.36 -0.03 -0.59 117.98 126.13 1lqv s PHE 98 Ca -0.02 -1.31 -0.10 0.00 -0.96 0.00 0.00 56.93 54.54 1lqv s PHE 98 Cb -0.15 -1.69 -0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1lqv s PHE 98 CO 0.00 -0.68 0.28 -0.48 -1.46 0.00 0.00 175.22 172.88 1lqv s LEU 99 N 1.29 1.01 0.00 6.12 2.34 -0.47 -0.20 118.68 128.76 1lqv s LEU 99 Ca 0.02 -0.78 0.00 0.00 0.06 0.00 0.00 54.13 53.43 1lqv s LEU 99 Cb -0.13 1.22 0.00 0.00 -0.56 0.00 0.00 46.19 46.72 1lqv s LEU 99 CO -0.09 -0.86 0.00 0.61 -1.06 0.00 0.00 176.35 174.95 1lqv n GLY 100 N -0.18 -1.66 3.05 -3.48 0.00 -0.88 -0.70 105.19 101.34 1lqv n GLY 100 Ca -0.10 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 1lqv n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqv s GLU 102 N -1.21 0.17 -0.46 0.00 2.02 0.11 -1.75 118.70 117.58 1lqv s GLU 102 Ca -0.13 0.00 -0.13 0.00 0.02 0.00 0.00 54.97 54.74 1lqv s GLU 102 Cb -0.07 -0.26 0.08 0.00 0.10 0.00 0.00 34.13 33.98 1lqv s GLU 102 CO 0.01 -0.03 0.35 -0.51 0.02 0.00 0.00 175.26 175.09 1lqv s LEU 103 N 0.39 5.50 0.37 1.80 1.43 0.28 -1.02 118.68 127.43 1lqv s LEU 103 Ca -0.04 -1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 51.31 1lqv s LEU 103 Cb -0.06 -2.10 -0.11 0.00 0.03 0.00 0.00 46.19 43.95 1lqv s LEU 103 CO -0.01 -0.63 1.48 -2.65 0.23 0.00 0.00 176.35 174.78 1lqv n PRO 104 N 5.08 2.63 -0.17 1.29 -0.02 -1.26 -4.62 135.00 137.93 1lqv n PRO 104 Ca -0.11 0.92 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 1lqv n PRO 104 Cb 0.43 -2.65 0.20 0.00 -0.02 0.00 0.00 33.50 31.46 1lqv n PRO 104 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1lqv h PRO 105 N 3.10 0.90 -1.35 0.52 0.11 -1.98 -3.16 132.00 130.16 1lqv h PRO 105 Ca -0.50 -0.14 0.44 0.00 0.11 0.00 0.00 66.00 65.91 1lqv h PRO 105 Cb 1.24 -0.16 -0.12 0.00 0.11 0.00 0.00 31.00 32.07 1lqv h PRO 105 CO 0.65 0.73 0.88 0.93 -0.21 0.00 0.00 178.00 180.99 1lqv h GLU 106 N 0.89 0.08 0.00 1.05 5.08 -2.02 -3.44 114.58 116.22 1lqv h GLU 106 Ca 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1lqv h GLU 106 Cb 0.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1lqv h GLU 106 CO -0.02 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1lqv n GLY 107 N -1.55 1.11 3.50 -3.84 0.00 -1.19 -5.11 105.19 98.11 1lqv n GLY 107 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 1lqv n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lqv n SER 108 N 0.00 0.73 -4.76 1.61 3.41 -1.26 -5.04 113.62 108.30 1lqv n SER 108 Ca 0.00 -1.77 -0.39 0.00 -0.26 0.00 0.00 58.87 56.45 1lqv n SER 108 Cb 0.00 -0.73 0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1lqv n SER 108 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1lqv s ARG 109 N -5.19 3.72 0.48 4.33 3.52 -1.26 -4.63 118.95 119.91 1lqv s ARG 109 Ca 0.64 2.21 -0.24 0.00 -0.13 0.00 0.00 55.73 58.20 1lqv s ARG 109 Cb -0.03 -2.60 -0.07 0.00 -1.56 0.00 0.00 34.95 30.69 1lqv s ARG 109 CO 0.43 -0.72 1.39 0.00 -0.81 0.00 0.00 175.30 175.59 1lqv s ALA 110 N -1.28 3.11 -0.17 6.12 0.00 -1.26 -4.68 121.76 123.60 1lqv s ALA 110 Ca 0.61 1.39 -0.19 0.00 0.00 0.00 0.00 51.96 53.77 1lqv s ALA 110 Cb -0.39 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 1lqv s ALA 110 CO 0.49 -1.20 0.54 -1.58 0.00 0.00 0.00 175.76 174.02 1lqv s HIS 111 N -1.25 3.43 0.21 0.00 2.46 -0.19 -4.91 115.29 115.05 1lqv s HIS 111 Ca 0.64 0.88 0.06 0.00 0.47 0.00 0.00 55.06 57.10 1lqv s HIS 111 Cb -0.42 -2.67 -0.05 0.00 -0.13 0.00 0.00 32.58 29.31 1lqv s HIS 111 CO 0.52 -0.02 -0.09 0.14 -2.47 0.00 0.00 174.74 172.82 1lqv s VAL 112 N 1.34 1.44 0.12 0.89 -7.23 -1.26 -0.72 120.40 114.97 1lqv s VAL 112 Ca 0.27 -2.12 -0.24 0.00 -1.81 0.00 0.00 61.98 58.07 1lqv s VAL 112 Cb -0.16 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.71 1lqv s VAL 112 CO 0.11 -0.51 0.61 0.72 -0.31 0.00 0.00 175.10 175.71 1lqv s PHE 113 N -3.16 -0.55 -0.28 2.82 -0.71 -0.94 -4.85 117.98 110.31 1lqv s PHE 113 Ca 0.24 0.47 0.01 0.00 -1.04 0.00 0.00 56.93 56.61 1lqv s PHE 113 Cb 0.02 0.51 0.17 0.00 -1.21 0.00 0.00 43.02 42.51 1lqv s PHE 113 CO 0.07 -0.79 0.48 0.12 -1.34 0.00 0.00 175.22 173.75 1lqv s PHE 114 N -3.23 -1.26 -0.09 3.49 2.19 -1.26 -2.06 117.98 115.76 1lqv s PHE 114 Ca -0.01 0.90 0.02 0.00 0.33 0.00 0.00 56.93 58.16 1lqv s PHE 114 Cb -0.01 0.14 -0.02 0.00 -1.31 0.00 0.00 43.02 41.82 1lqv s PHE 114 CO -0.08 -0.92 -0.15 -1.21 1.83 0.00 0.00 175.22 174.69 1lqv s GLU 115 N 2.67 2.95 -0.10 10.12 2.02 0.72 -0.85 118.70 136.24 1lqv s GLU 115 Ca 0.13 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1lqv s GLU 115 Cb -0.13 -2.48 -0.00 0.00 0.10 0.00 0.00 34.13 31.62 1lqv s GLU 115 CO -0.24 0.39 -0.23 0.08 0.02 0.00 0.00 175.26 175.28 1lqv s VAL 116 N -0.12 2.17 0.09 2.63 1.01 -0.07 -0.85 120.40 125.26 1lqv s VAL 116 Ca -0.02 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.07 1lqv s VAL 116 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1lqv s VAL 116 CO 0.04 0.56 -0.25 0.00 0.00 0.00 0.00 175.10 175.44 1lqv s ALA 117 N 0.26 2.20 -0.09 5.51 0.00 -0.08 -0.77 121.76 128.80 1lqv s ALA 117 Ca -0.16 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.49 1lqv s ALA 117 Cb -0.17 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1lqv s ALA 117 CO 0.08 0.50 -0.17 0.08 0.00 0.00 0.00 175.76 176.25 1lqv s VAL 118 N -0.96 1.53 -1.57 0.00 1.01 -0.14 -0.74 120.40 119.53 1lqv s VAL 118 Ca 0.12 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1lqv s VAL 118 Cb -0.10 -1.36 0.12 0.00 0.00 0.00 0.00 36.38 35.03 1lqv s VAL 118 CO 0.04 0.44 0.81 0.59 0.00 0.00 0.00 175.10 176.99 1lqv n ASN 119 N 3.85 -4.02 0.00 3.32 4.13 0.87 -1.92 115.26 121.49 1lqv n ASN 119 Ca -0.21 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.25 1lqv n ASN 119 Cb 0.52 -3.26 0.00 0.00 -1.54 0.00 0.00 39.78 35.50 1lqv n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lqv n GLY 120 N -1.46 1.36 3.60 7.41 0.00 -1.26 -5.02 105.19 109.81 1lqv n GLY 120 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1lqv n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lqv s SER 121 N -3.19 4.72 0.21 1.61 0.01 -0.81 -5.07 113.70 111.19 1lqv s SER 121 Ca 0.00 -0.02 -0.32 0.00 1.31 0.00 0.00 55.95 56.92 1lqv s SER 121 Cb 0.00 -1.19 -0.14 0.00 0.21 0.00 0.00 66.02 64.90 1lqv s SER 121 CO 0.00 0.35 1.46 -1.54 0.41 0.00 0.00 173.24 173.92 1lqv n SER 122 N 2.12 2.83 0.00 2.44 3.41 -1.26 -0.96 113.62 122.20 1lqv n SER 122 Ca -0.18 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1lqv n SER 122 Cb 0.53 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1lqv n SER 122 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1lqv n PHE 123 N 2.37 0.00 -4.24 7.33 7.35 0.05 -3.55 117.46 126.78 1lqv n PHE 123 Ca 0.13 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.69 1lqv n PHE 123 Cb 0.30 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.03 1lqv n PHE 123 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1lqv s VAL 124 N -0.91 0.73 -0.00 -2.13 -7.23 -0.90 -0.66 120.40 109.30 1lqv s VAL 124 Ca 0.00 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.04 1lqv s VAL 124 Cb 0.00 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.91 1lqv s VAL 124 CO 0.00 -0.54 0.32 -0.94 -0.31 0.00 0.00 175.10 173.63 1lqv s SER 125 N -3.16 -0.19 -0.05 4.85 1.04 -0.38 -0.89 113.70 114.91 1lqv s SER 125 Ca 0.22 0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.50 1lqv s SER 125 Cb 0.06 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1lqv s SER 125 CO 0.03 -0.50 0.53 0.12 0.98 0.00 0.00 173.24 174.40 1lqv s PHE 126 N -1.62 3.62 -0.40 5.02 5.36 -0.03 -0.93 117.98 129.00 1lqv s PHE 126 Ca -0.11 1.05 -0.10 0.00 -0.96 0.00 0.00 56.93 56.81 1lqv s PHE 126 Cb -0.04 -2.55 0.06 0.00 -0.34 0.00 0.00 43.02 40.15 1lqv s PHE 126 CO 0.03 0.30 0.24 1.03 -1.46 0.00 0.00 175.22 175.36 1lqv s ARG 127 N 0.06 2.69 0.43 10.12 1.81 0.66 -4.49 118.95 130.23 1lqv s ARG 127 Ca 0.28 -1.33 0.11 0.00 -1.72 0.00 0.00 55.73 53.08 1lqv s ARG 127 Cb -0.17 -3.77 0.93 0.00 -0.45 0.00 0.00 34.95 31.49 1lqv s ARG 127 CO 0.14 -0.87 1.99 -1.35 -0.68 0.00 0.00 175.30 174.54 1lqv h PRO 128 N 8.43 0.19 -0.71 3.54 0.11 -1.89 -2.29 132.00 139.37 1lqv h PRO 128 Ca -0.24 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.96 1lqv h PRO 128 Cb 1.09 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.04 1lqv h PRO 128 CO 0.73 0.26 -0.34 0.93 -0.21 0.00 0.00 178.00 179.37 1lqv h GLU 129 N 0.18 -0.11 -0.08 1.05 3.07 -1.94 -2.73 114.58 114.02 1lqv h GLU 129 Ca 0.04 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1lqv h GLU 129 Cb 0.23 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1lqv h GLU 129 CO 0.01 -0.07 0.00 0.54 -1.40 0.00 0.00 179.01 178.09 1lqv n ARG 130 N -5.45 2.80 -3.38 2.33 1.74 -1.24 -5.00 116.66 108.45 1lqv n ARG 130 Ca 0.06 -1.77 -0.17 0.00 -0.77 0.00 0.00 57.85 55.21 1lqv n ARG 130 Cb 0.37 -1.13 0.08 0.00 -1.02 0.00 0.00 32.46 30.76 1lqv n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lqv n ALA 131 N -0.38 -2.17 -2.60 7.54 0.00 -0.96 -5.01 120.51 116.94 1lqv n ALA 131 Ca 0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 1lqv n ALA 131 Cb 0.35 -3.48 -0.12 0.00 0.00 0.00 0.00 19.45 16.20 1lqv n ALA 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1lqv s LEU 132 N -6.07 2.30 0.07 0.00 1.43 -0.90 -4.66 118.68 110.85 1lqv s LEU 132 Ca 0.15 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 1lqv s LEU 132 Cb -0.02 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1lqv s LEU 132 CO 0.74 -0.01 0.25 0.26 0.23 0.00 0.00 176.35 177.83 1lqv s TRP 133 N -1.29 3.52 0.13 0.29 0.52 -1.26 -0.24 118.94 120.61 1lqv s TRP 133 Ca 0.04 0.37 0.06 0.00 0.02 0.00 0.00 56.10 56.58 1lqv s TRP 133 Cb -0.10 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1lqv s TRP 133 CO 0.04 0.56 -0.13 -0.65 0.02 0.00 0.00 176.95 176.78 1lqv s GLN 134 N -2.42 1.05 0.30 4.98 -0.21 -0.10 -4.93 119.66 118.32 1lqv s GLN 134 Ca 0.35 -1.30 -0.28 0.00 0.02 0.00 0.00 55.36 54.15 1lqv s GLN 134 Cb -0.13 -0.85 -0.09 0.00 1.00 0.00 0.00 33.01 32.94 1lqv s GLN 134 CO 0.25 0.15 1.01 0.00 -2.12 0.00 0.00 175.29 174.58 1lqv s ALA 135 N -2.46 3.28 -0.09 6.09 0.00 -1.26 -1.25 121.76 126.08 1lqv s ALA 135 Ca 0.11 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1lqv s ALA 135 Cb -0.03 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1lqv s ALA 135 CO 0.03 0.00 0.08 -0.25 0.00 0.00 0.00 175.76 175.62 1lqv n ASP 136 N 0.89 0.16 -4.56 0.00 9.92 0.17 -4.83 116.55 118.29 1lqv n ASP 136 Ca 0.00 -0.54 -0.29 0.00 -0.53 0.00 0.00 54.79 53.43 1lqv n ASP 136 Cb 0.47 1.00 0.22 0.00 -0.64 0.00 0.00 41.12 42.18 1lqv n ASP 136 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1lqv s THR 137 N -1.19 2.00 -0.24 -3.53 -4.23 -1.18 -4.72 115.64 102.56 1lqv s THR 137 Ca 0.01 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.74 1lqv s THR 137 Cb 0.01 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.86 1lqv s THR 137 CO 0.08 -0.00 1.06 1.56 -0.54 0.00 0.00 174.62 176.77 1lqv h GLN 138 N -2.36 0.00 -3.98 3.99 4.20 -1.96 -3.47 115.11 111.54 1lqv h GLN 138 Ca -0.54 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 57.92 1lqv h GLN 138 Cb 1.31 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.82 1lqv h GLN 138 CO 0.46 0.00 -0.73 0.14 -0.67 0.00 0.00 178.83 178.03 1lqv s VAL 139 N -3.36 0.16 0.11 -0.54 -7.23 -1.26 -5.15 120.40 103.14 1lqv s VAL 139 Ca -0.00 -0.23 -0.24 0.00 -1.81 0.00 0.00 61.98 59.69 1lqv s VAL 139 Cb 0.09 -0.17 -0.07 0.00 0.56 0.00 0.00 36.38 36.79 1lqv s VAL 139 CO 0.79 -0.05 0.74 0.28 -0.31 0.00 0.00 175.10 176.55 1lqv s THR 140 N -0.28 4.54 0.12 5.32 -1.32 -1.26 -5.00 115.64 117.75 1lqv s THR 140 Ca -0.02 1.60 -0.01 0.00 -1.21 0.00 0.00 61.69 62.05 1lqv s THR 140 Cb -0.02 -4.09 -0.04 0.00 -1.51 0.00 0.00 72.50 66.84 1lqv s THR 140 CO -0.00 0.48 0.05 -0.94 -2.21 0.00 0.00 174.62 172.00 1lqv s SER 141 N -0.79 0.33 0.50 8.08 1.04 -1.26 -5.03 113.70 116.57 1lqv s SER 141 Ca 0.35 -1.14 0.21 0.00 0.48 0.00 0.00 55.95 55.85 1lqv s SER 141 Cb -0.22 0.29 1.31 0.00 0.10 0.00 0.00 66.02 67.50 1lqv s SER 141 CO 0.24 -0.71 2.09 1.23 0.98 0.00 0.00 173.24 177.07 1lqv h GLY 142 N 2.90 0.00 0.63 7.32 0.00 -1.97 -2.51 103.07 109.45 1lqv h GLY 142 Ca -0.35 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1lqv h GLY 142 CO 0.60 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.98 1lqv h VAL 143 N 0.00 1.37 -0.52 4.60 2.07 -1.93 -1.71 116.25 120.12 1lqv h VAL 143 Ca -0.00 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 1lqv h VAL 143 Cb 0.21 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1lqv h VAL 143 CO 0.01 0.35 0.00 0.58 0.02 0.00 0.00 177.57 178.53 1lqv h VAL 144 N -0.24 1.26 -0.45 2.57 2.07 -1.91 -0.73 116.25 118.83 1lqv h VAL 144 Ca 0.01 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 1lqv h VAL 144 Cb 0.59 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1lqv h VAL 144 CO 0.02 0.38 0.08 0.74 0.02 0.00 0.00 177.57 178.82 1lqv h THR 145 N 0.79 1.24 -0.46 2.57 2.02 -1.50 -1.43 112.91 116.14 1lqv h THR 145 Ca 0.15 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 1lqv h THR 145 Cb 0.52 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1lqv h THR 145 CO 0.03 0.31 0.03 0.15 0.37 0.00 0.00 175.52 176.40 1lqv h PHE 146 N 0.60 0.86 -0.33 3.16 3.57 -1.25 -0.51 116.94 123.04 1lqv h PHE 146 Ca 0.14 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1lqv h PHE 146 Cb 0.36 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1lqv h PHE 146 CO 0.02 0.82 0.20 1.15 -2.23 0.00 0.00 178.31 178.28 1lqv h THR 147 N 0.65 1.05 -0.55 4.41 2.02 -0.96 -0.61 112.91 118.93 1lqv h THR 147 Ca 0.13 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1lqv h THR 147 Cb 0.46 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1lqv h THR 147 CO 0.02 0.08 0.04 -0.07 0.37 0.00 0.00 175.52 175.95 1lqv h LEU 148 N 0.41 0.89 -0.34 2.58 3.38 -1.15 -0.19 115.31 120.88 1lqv h LEU 148 Ca 0.13 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1lqv h LEU 148 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1lqv h LEU 148 CO -0.05 0.93 0.22 -0.61 0.09 0.00 0.00 178.44 179.02 1lqv h GLN 149 N 0.86 0.43 -0.00 1.13 -0.00 -0.65 -1.14 115.11 115.74 1lqv h GLN 149 Ca 0.17 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.79 1lqv h GLN 149 Cb 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 1lqv h GLN 149 CO 0.02 0.29 0.00 1.96 0.00 0.00 0.00 178.83 181.10 1lqv h GLN 150 N 0.45 0.00 -0.29 1.69 1.08 -0.78 -2.73 115.11 114.53 1lqv h GLN 150 Ca 0.13 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1lqv h GLN 150 Cb -0.03 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1lqv h GLN 150 CO -0.04 0.20 0.16 -0.07 -0.95 0.00 0.00 178.83 178.13 1lqv h LEU 151 N -0.19 0.34 -1.54 1.46 3.38 -0.81 -2.40 115.31 115.55 1lqv h LEU 151 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1lqv h LEU 151 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1lqv h LEU 151 CO -0.00 0.27 0.00 0.59 0.09 0.00 0.00 178.44 179.39 1lqv n ASN 152 N -4.47 2.29 0.03 -0.43 3.02 -0.45 -4.17 115.26 111.08 1lqv n ASN 152 Ca 0.01 -1.86 0.11 0.00 -0.03 0.00 0.00 54.58 52.82 1lqv n ASN 152 Cb 0.09 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 38.99 1lqv n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lqv n ALA 153 N 0.73 3.03 -2.48 5.41 0.00 -0.90 -4.99 120.51 121.32 1lqv n ALA 153 Ca 0.17 -0.42 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 1lqv n ALA 153 Cb 0.41 -0.90 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 1lqv n ALA 153 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1lqv s TYR 154 N -3.36 1.87 0.32 0.00 2.02 -1.26 -5.03 117.35 111.91 1lqv s TYR 154 Ca -0.02 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1lqv s TYR 154 Cb 0.13 -0.96 0.52 0.00 -0.40 0.00 0.00 41.96 41.25 1lqv s TYR 154 CO 0.85 0.31 1.89 -0.91 -1.57 0.00 0.00 175.55 176.11 1lqv h ASN 155 N 3.52 0.68 -0.37 2.29 4.21 -1.94 -2.19 115.58 121.77 1lqv h ASN 155 Ca -0.44 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 56.97 1lqv h ASN 155 Cb 1.20 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.20 1lqv h ASN 155 CO 0.47 0.64 0.22 -0.09 -1.29 0.00 0.00 177.43 177.38 1lqv h ARG 156 N 0.72 0.51 -0.01 0.81 9.65 -1.96 -0.63 114.38 123.48 1lqv h ARG 156 Ca 0.17 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1lqv h ARG 156 Cb 0.20 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1lqv h ARG 156 CO -0.01 0.39 -0.31 0.25 2.80 0.00 0.00 179.97 183.08 1lqv n THR 157 N -4.78 0.00 0.00 0.20 -2.24 -1.17 -2.49 114.28 103.80 1lqv n THR 157 Ca -0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1lqv n THR 157 Cb 0.06 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1lqv n THR 157 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lqv n ARG 158 N -0.82 0.00 -0.02 -0.78 1.74 -0.83 -4.64 116.66 111.31 1lqv n ARG 158 Ca 0.11 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.01 1lqv n ARG 158 Cb 0.35 -0.08 -0.08 0.00 -1.02 0.00 0.00 32.46 31.63 1lqv n ARG 158 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1lqv h TYR 159 N 0.00 0.98 -0.31 -1.55 0.05 -1.47 -1.10 116.97 113.57 1lqv h TYR 159 Ca 0.00 -0.44 -0.08 0.00 0.05 0.00 0.00 58.73 58.25 1lqv h TYR 159 Cb 0.00 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1lqv h TYR 159 CO 0.00 1.27 -0.16 0.93 -1.05 0.00 0.00 178.16 179.15 1lqv h GLU 160 N 0.41 0.55 -0.26 4.88 5.08 -1.24 0.42 114.58 124.42 1lqv h GLU 160 Ca -0.06 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1lqv h GLU 160 Cb 1.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1lqv h GLU 160 CO 0.15 0.69 -0.02 1.25 -1.00 0.00 0.00 179.01 180.08 1lqv h LEU 161 N 0.50 0.48 -1.27 1.33 5.85 -1.43 -0.70 115.31 120.07 1lqv h LEU 161 Ca 0.09 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1lqv h LEU 161 Cb 0.57 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1lqv h LEU 161 CO 0.04 0.69 0.36 -0.09 -0.34 0.00 0.00 178.44 179.11 1lqv h ARG 162 N 0.25 0.86 -0.18 1.25 2.43 -0.70 -1.71 114.38 116.57 1lqv h ARG 162 Ca 0.07 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1lqv h ARG 162 Cb 0.47 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1lqv h ARG 162 CO 0.02 0.62 -0.45 0.93 -1.51 0.00 0.00 179.97 179.58 1lqv h GLU 163 N 0.88 0.46 -0.66 0.20 5.08 -0.65 0.17 114.58 120.05 1lqv h GLU 163 Ca 0.23 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1lqv h GLU 163 Cb -0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1lqv h GLU 163 CO -0.04 0.82 0.33 0.35 -1.00 0.00 0.00 179.01 179.46 1lqv h PHE 164 N 0.37 0.94 -0.04 4.33 3.57 -0.25 0.25 116.94 126.10 1lqv h PHE 164 Ca 0.03 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1lqv h PHE 164 Cb 0.93 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1lqv h PHE 164 CO 0.03 0.70 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.54 1lqv h LEU 165 N 0.91 0.25 0.00 0.59 3.38 -0.95 0.57 115.31 120.05 1lqv h LEU 165 Ca 0.23 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1lqv h LEU 165 Cb 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1lqv h LEU 165 CO -0.03 0.86 -0.56 -0.33 0.09 0.00 0.00 178.44 178.47 1lqv h GLU 166 N -0.35 0.00 0.00 1.13 5.08 -0.69 -3.29 114.58 116.46 1lqv h GLU 166 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1lqv h GLU 166 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1lqv h GLU 166 CO 0.04 0.00 -0.08 -3.47 -1.00 0.00 0.00 179.01 174.50 1lqv n ASP 167 N -2.50 0.67 -0.03 1.42 -0.08 0.02 -4.50 116.55 111.54 1lqv n ASP 167 Ca 0.03 0.09 -0.10 0.00 -1.51 0.00 0.00 54.79 53.30 1lqv n ASP 167 Cb 0.49 -0.25 -0.04 0.00 2.34 0.00 0.00 41.12 43.67 1lqv n ASP 167 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1lqv h THR 168 N -0.08 1.01 -0.41 5.18 2.02 -1.22 0.20 112.91 119.61 1lqv h THR 168 Ca 0.00 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1lqv h THR 168 Cb 0.08 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1lqv h THR 168 CO 0.00 0.04 0.11 0.00 0.37 0.00 0.00 175.52 176.04 1lqv h VAL 170 N 0.52 1.24 -0.72 0.00 2.07 -1.58 -1.47 116.25 116.31 1lqv h VAL 170 Ca 0.13 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1lqv h VAL 170 Cb 0.29 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1lqv h VAL 170 CO -0.00 0.30 0.28 1.56 0.02 0.00 0.00 177.57 179.72 1lqv h GLN 171 N 0.50 1.07 0.09 1.57 4.20 -0.83 -1.63 115.11 120.08 1lqv h GLN 171 Ca 0.12 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1lqv h GLN 171 Cb 0.37 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1lqv h GLN 171 CO 0.01 0.88 -0.10 -0.92 -0.67 0.00 0.00 178.83 178.02 1lqv h TYR 172 N 1.05 -0.26 -0.48 2.96 3.20 -0.84 -1.31 116.97 121.28 1lqv h TYR 172 Ca 0.24 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.17 1lqv h TYR 172 Cb 0.21 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 1lqv h TYR 172 CO 0.02 -0.16 0.19 0.28 -1.64 0.00 0.00 178.16 176.85 1lqv h VAL 173 N -0.22 0.87 -0.14 1.81 2.07 -1.04 -0.14 116.25 119.45 1lqv h VAL 173 Ca 0.01 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1lqv h VAL 173 Cb 0.22 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1lqv h VAL 173 CO -0.04 0.07 -0.26 1.56 0.02 0.00 0.00 177.57 178.92 1lqv h GLN 174 N 0.38 0.25 0.06 1.57 4.20 -1.05 -0.31 115.11 120.21 1lqv h GLN 174 Ca 0.22 -0.09 -0.25 0.00 0.06 0.00 0.00 58.65 58.60 1lqv h GLN 174 Cb 0.21 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 27.99 1lqv h GLN 174 CO -0.21 0.50 -1.03 -0.22 -0.67 0.00 0.00 178.83 177.20 1lqv h LYS 175 N 0.23 0.58 -0.00 1.46 3.64 -0.95 -3.40 116.57 118.13 1lqv h LYS 175 Ca 0.04 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1lqv h LYS 175 Cb 0.59 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1lqv h LYS 175 CO 0.04 1.30 -0.62 0.72 -2.27 0.00 0.00 179.45 178.62 1lqv n HIS 176 N -3.92 0.00 -0.04 1.91 8.25 -0.09 -4.70 115.22 116.63 1lqv n HIS 176 Ca -0.12 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.45 1lqv n HIS 176 Cb 0.88 0.00 0.51 0.00 1.12 0.00 0.00 29.99 32.51 1lqv n HIS 176 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1lqv h ILE 177 N 0.20 0.92 -0.01 1.59 -0.00 -1.26 -2.23 117.51 116.73 1lqv h ILE 177 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 64.86 64.74 1lqv h ILE 177 Cb 0.35 0.52 -0.00 0.00 -0.00 0.00 0.00 36.82 37.70 1lqv h ILE 177 CO 0.00 0.07 0.01 0.77 -0.00 0.00 0.00 178.15 179.00 1lqv h SER 178 N 0.37 0.00 0.53 2.16 4.64 -1.84 -1.22 113.55 118.19 1lqv h SER 178 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1lqv h SER 178 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1lqv h SER 178 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 1lqv n ALA 179 N -2.33 1.75 0.77 5.18 0.00 -0.84 -5.27 120.51 119.78 1lqv n ALA 179 Ca -0.03 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1lqv n ALA 179 Cb 0.09 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.36 1lqv n ALA 179 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89