#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqw s GLU 3 N 0.00 1.66 -0.01 -0.67 2.02 -1.26 -5.09 118.70 115.35 3lqw s GLU 3 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.20 3lqw s GLU 3 Cb 0.00 -1.63 0.01 0.00 0.10 0.00 0.00 34.13 32.60 3lqw s GLU 3 CO 0.00 0.44 -0.00 0.08 0.02 0.00 0.00 175.26 175.80 3lqw s VAL 4 N -0.55 0.09 -0.33 2.63 1.01 -1.26 -5.10 120.40 116.89 3lqw s VAL 4 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 3lqw s VAL 4 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 3lqw s VAL 4 CO -0.00 0.05 0.56 -0.22 0.00 0.00 0.00 175.10 175.49 3lqw s LEU 5 N 0.26 4.24 0.05 3.92 2.96 -1.26 -4.06 118.68 124.78 3lqw s LEU 5 Ca -0.02 0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 53.88 3lqw s LEU 5 Cb -0.04 -2.68 -0.06 0.00 0.50 0.00 0.00 46.19 43.91 3lqw s LEU 5 CO -0.01 -0.47 0.55 -0.76 -1.32 0.00 0.00 176.35 174.34 3lqw s LEU 6 N 2.49 4.50 -0.08 -0.68 1.43 -0.93 -4.95 118.68 120.46 3lqw s LEU 6 Ca 0.21 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 3lqw s LEU 6 Cb -0.15 -2.86 0.02 0.00 0.03 0.00 0.00 46.19 43.22 3lqw s LEU 6 CO 0.13 0.25 -0.12 -0.69 0.23 0.00 0.00 176.35 176.15 3lqw s VAL 7 N -0.93 1.19 -0.20 -1.59 1.01 -1.26 -0.90 120.40 117.72 3lqw s VAL 7 Ca 0.29 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3lqw s VAL 7 Cb -0.19 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3lqw s VAL 7 CO 0.18 0.37 0.01 -0.75 0.00 0.00 0.00 175.10 174.91 3lqw s LYS 8 N 0.90 3.63 -0.06 2.72 2.20 -0.04 -4.99 119.74 124.10 3lqw s LYS 8 Ca -0.10 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 3lqw s LYS 8 Cb -0.15 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3lqw s LYS 8 CO 0.01 0.00 1.29 0.15 -0.36 0.00 0.00 175.35 176.44 3lqw s LYS 9 N 1.03 4.30 0.23 4.03 1.02 -1.26 -1.52 119.74 127.57 3lqw s LYS 9 Ca 0.02 1.78 0.23 0.00 0.02 0.00 0.00 55.97 58.03 3lqw s LYS 9 Cb -0.14 -3.62 0.21 0.00 -0.52 0.00 0.00 37.83 33.76 3lqw s LYS 9 CO 0.02 -0.55 1.27 -0.07 -0.92 0.00 0.00 175.35 175.10 3lqw h LEU 10 N 8.59 0.00 -8.01 3.17 3.38 -1.23 -3.46 115.31 117.75 3lqw h LEU 10 Ca -0.34 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 3lqw h LEU 10 Cb 1.16 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.70 3lqw h LEU 10 CO 0.91 0.03 -0.70 0.68 0.09 0.00 0.00 178.44 179.44 3lqw s VAL 11 N -3.26 0.18 0.47 1.22 -7.23 -1.24 -5.07 120.40 105.47 3lqw s VAL 11 Ca 0.03 -0.96 0.14 0.00 -1.81 0.00 0.00 61.98 59.39 3lqw s VAL 11 Cb 0.10 -0.34 0.23 0.00 0.56 0.00 0.00 36.38 36.92 3lqw s VAL 11 CO 0.74 -0.49 2.06 1.05 -0.31 0.00 0.00 175.10 178.15 3lqw h GLU 12 N 4.59 0.06 -0.63 4.82 9.09 -1.94 -2.11 114.58 128.45 3lqw h GLU 12 Ca -0.33 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.08 3lqw h GLU 12 Cb 1.21 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 3lqw h GLU 12 CO 0.42 0.13 0.00 -0.40 0.05 0.00 0.00 179.01 179.20 3lqw n ASP 13 N -4.43 3.67 -4.73 3.06 5.68 -1.26 -4.94 116.55 113.59 3lqw n ASP 13 Ca -0.02 -2.16 -0.37 0.00 -0.50 0.00 0.00 54.79 51.73 3lqw n ASP 13 Cb 0.16 -0.47 0.06 0.00 -1.14 0.00 0.00 41.12 39.74 3lqw n ASP 13 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3lqw s ALA 14 N -1.45 2.41 -0.24 2.12 0.00 -0.80 -5.00 121.76 118.81 3lqw s ALA 14 Ca 0.42 1.21 -0.08 0.00 0.00 0.00 0.00 51.96 53.50 3lqw s ALA 14 Cb 0.24 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3lqw s ALA 14 CO 0.25 -1.55 0.10 0.42 0.00 0.00 0.00 175.76 174.98 3lqw s ILE 15 N -1.40 4.77 0.17 0.00 1.01 -1.26 -5.03 121.20 119.45 3lqw s ILE 15 Ca 0.82 -0.02 -0.32 0.00 0.00 0.00 0.00 60.65 61.13 3lqw s ILE 15 Cb -0.37 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.77 3lqw s ILE 15 CO 0.39 0.35 1.62 -0.69 0.00 0.00 0.00 174.94 176.62 3lqw s VAL 16 N 1.26 2.51 0.48 2.92 1.01 -1.26 -4.72 120.40 122.60 3lqw s VAL 16 Ca 0.06 0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 3lqw s VAL 16 Cb -0.14 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 3lqw s VAL 16 CO 0.05 0.02 1.02 -2.65 0.00 0.00 0.00 175.10 173.54 3lqw n PRO 17 N 4.19 1.28 -4.68 2.72 -0.02 -1.26 -5.00 135.00 132.23 3lqw n PRO 17 Ca 0.15 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.85 3lqw n PRO 17 Cb 0.38 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 3lqw n PRO 17 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3lqw s THR 18 N -1.35 1.44 -0.14 3.45 -4.23 -1.06 -4.89 115.64 108.85 3lqw s THR 18 Ca 0.67 -0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 60.01 3lqw s THR 18 Cb -0.50 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 3lqw s THR 18 CO 0.54 0.25 0.63 -0.60 -0.54 0.00 0.00 174.62 174.91 3lqw s ARG 19 N -0.82 4.31 0.09 3.99 3.52 -1.26 -0.07 118.95 128.70 3lqw s ARG 19 Ca 0.06 0.69 0.11 0.00 -0.13 0.00 0.00 55.73 56.46 3lqw s ARG 19 Cb -0.08 -3.51 -0.16 0.00 -1.56 0.00 0.00 34.95 29.64 3lqw s ARG 19 CO 0.01 -0.08 1.05 0.78 -0.81 0.00 0.00 175.30 176.24 3lqw h GLY 20 N 7.50 0.00 -2.59 8.12 0.00 -1.91 -3.47 103.07 110.72 3lqw h GLY 20 Ca -0.36 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 3lqw h GLY 20 CO 0.77 0.00 -0.52 -1.35 0.00 0.00 0.00 176.54 175.44 3lqw s SER 21 N -6.34 0.13 0.24 0.19 1.04 -1.26 -5.01 113.70 102.68 3lqw s SER 21 Ca -0.01 -1.24 -0.05 0.00 0.48 0.00 0.00 55.95 55.13 3lqw s SER 21 Cb 0.09 0.41 0.35 0.00 0.10 0.00 0.00 66.02 66.96 3lqw s SER 21 CO 0.81 -0.88 1.83 0.07 0.98 0.00 0.00 173.24 176.05 3lqw h LYS 22 N 2.59 0.83 -0.55 4.02 5.09 -2.02 -2.07 116.57 124.47 3lqw h LYS 22 Ca -0.34 -0.05 -0.39 0.00 0.09 0.00 0.00 60.65 59.96 3lqw h LYS 22 Cb 1.24 -0.19 -0.30 0.00 0.10 0.00 0.00 32.23 33.09 3lqw h LYS 22 CO 0.51 0.55 -0.62 0.00 -2.09 0.00 0.00 179.45 177.80 3lqw s ALA 24 N -3.50 3.57 0.27 0.00 0.00 -0.78 -4.88 121.76 116.44 3lqw s ALA 24 Ca 0.48 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.55 3lqw s ALA 24 Cb 0.40 -3.52 0.37 0.00 0.00 0.00 0.00 23.12 20.37 3lqw s ALA 24 CO 0.01 -0.59 1.72 0.00 0.00 0.00 0.00 175.76 176.90 3lqw h ALA 25 N 6.48 1.08 -3.35 0.00 0.00 -1.94 -3.45 119.26 118.07 3lqw h ALA 25 Ca -0.43 -0.33 -0.65 0.00 0.00 0.00 0.00 54.91 53.51 3lqw h ALA 25 Cb 1.21 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 3lqw h ALA 25 CO 0.84 0.56 -0.69 0.20 0.00 0.00 0.00 179.25 180.17 3lqw s GLY 26 N -3.93 1.85 -0.20 0.00 0.00 -1.26 -4.35 107.32 99.43 3lqw s GLY 26 Ca -0.08 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.39 3lqw s GLY 26 CO 0.80 -1.19 0.00 -0.42 0.00 0.00 0.00 173.10 172.29 3lqw s ILE 27 N -1.34 3.97 0.16 0.90 1.01 0.18 -4.22 121.20 121.85 3lqw s ILE 27 Ca 0.24 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 3lqw s ILE 27 Cb -0.11 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.49 3lqw s ILE 27 CO 0.17 0.43 1.30 -1.81 0.00 0.00 0.00 174.94 175.02 3lqw s ASP 28 N 0.96 6.93 -0.14 3.58 1.01 0.90 -0.35 116.67 129.56 3lqw s ASP 28 Ca 0.01 2.31 -0.06 0.00 0.71 0.00 0.00 52.55 55.52 3lqw s ASP 28 Cb -0.14 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 3lqw s ASP 28 CO 0.02 -0.53 0.06 -0.76 0.21 0.00 0.00 175.17 174.17 3lqw s LEU 29 N 0.32 3.86 -0.06 1.23 1.43 -0.42 -2.56 118.68 122.46 3lqw s LEU 29 Ca 0.58 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3lqw s LEU 29 Cb -0.35 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3lqw s LEU 29 CO 0.35 0.28 -0.09 -0.31 0.23 0.00 0.00 176.35 176.81 3lqw s TYR 30 N -0.28 2.87 0.25 0.29 1.51 -1.26 -1.06 117.35 119.66 3lqw s TYR 30 Ca 0.08 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 55.82 3lqw s TYR 30 Cb -0.12 -1.69 -0.09 0.00 -0.11 0.00 0.00 41.96 39.95 3lqw s TYR 30 CO 0.02 0.29 1.28 0.45 -1.11 0.00 0.00 175.55 176.47 3lqw s SER 31 N -0.80 6.92 0.00 2.29 0.15 0.01 -4.34 113.70 117.93 3lqw s SER 31 Ca 0.12 2.46 0.24 0.00 0.70 0.00 0.00 55.95 59.47 3lqw s SER 31 Cb -0.11 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.29 3lqw s SER 31 CO 0.01 -0.47 1.54 -3.20 1.20 0.00 0.00 173.24 172.33 3lqw n ASN 32 N 1.87 2.07 -3.94 5.45 5.15 0.08 -0.29 115.26 125.65 3lqw n ASN 32 Ca 0.03 -1.73 -0.09 0.00 -0.60 0.00 0.00 54.58 52.19 3lqw n ASN 32 Cb 0.43 -0.09 -0.09 0.00 -0.53 0.00 0.00 39.78 39.50 3lqw n ASN 32 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3lqw s THR 33 N -1.83 0.16 0.48 -0.44 -4.23 -1.26 -4.85 115.64 103.67 3lqw s THR 33 Ca 0.34 -1.29 -0.21 0.00 -1.18 0.00 0.00 61.69 59.35 3lqw s THR 33 Cb 0.20 -1.20 -0.08 0.00 1.34 0.00 0.00 72.50 72.76 3lqw s THR 33 CO 0.30 -0.71 1.08 0.20 -0.54 0.00 0.00 174.62 174.94 3lqw s ASN 34 N -2.56 6.25 0.15 3.99 0.01 -1.26 -2.51 114.94 119.01 3lqw s ASN 34 Ca 0.01 2.07 -0.22 0.00 -0.71 0.00 0.00 52.86 54.01 3lqw s ASN 34 Cb 0.03 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 39.18 3lqw s ASN 34 CO -0.08 -0.85 0.57 0.72 -1.51 0.00 0.00 177.10 175.95 3lqw s PHE 35 N -1.80 -0.49 -0.04 2.20 -0.71 -0.02 -4.90 117.98 112.22 3lqw s PHE 35 Ca 0.66 0.28 0.03 0.00 -1.04 0.00 0.00 56.93 56.86 3lqw s PHE 35 Cb -0.21 0.51 0.01 0.00 -1.21 0.00 0.00 43.02 42.11 3lqw s PHE 35 CO 0.25 -0.82 -0.11 0.42 -1.34 0.00 0.00 175.22 173.62 3lqw s ILE 36 N -3.69 1.01 -0.21 -4.49 1.01 -1.26 -0.48 121.20 113.08 3lqw s ILE 36 Ca 0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 3lqw s ILE 36 Cb -0.01 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.58 3lqw s ILE 36 CO -0.12 0.31 -0.13 -0.63 0.00 0.00 0.00 174.94 174.38 3lqw s ILE 37 N 0.39 2.53 0.78 2.92 1.01 -0.09 -4.96 121.20 123.79 3lqw s ILE 37 Ca -0.08 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 3lqw s ILE 37 Cb -0.12 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 40.23 3lqw s ILE 37 CO 0.02 0.38 1.12 -1.10 0.00 0.00 0.00 174.94 175.35 3lqw s GLN 38 N 1.32 2.04 0.22 2.79 -1.52 -1.26 -0.91 119.66 122.33 3lqw s GLN 38 Ca 0.03 1.35 -0.32 0.00 -1.95 0.00 0.00 55.36 54.46 3lqw s GLN 38 Cb -0.15 -1.86 -0.13 0.00 -0.22 0.00 0.00 33.01 30.65 3lqw s GLN 38 CO -0.08 -1.84 1.47 -2.30 -0.25 0.00 0.00 175.29 172.30 3lqw n PRO 39 N -3.45 2.11 -2.27 2.91 -0.02 -1.26 -2.04 135.00 130.99 3lqw n PRO 39 Ca 0.10 0.76 -0.20 0.00 -2.02 0.00 0.00 63.50 62.14 3lqw n PRO 39 Cb 0.52 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3lqw n PRO 39 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3lqw n HIS 40 N 2.39 -0.82 -4.12 6.00 8.25 0.26 -4.98 115.22 122.20 3lqw n HIS 40 Ca 0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.54 3lqw n HIS 40 Cb 0.31 -3.80 -0.01 0.00 1.12 0.00 0.00 29.99 27.60 3lqw n HIS 40 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3lqw n GLU 41 N -2.86 1.51 -4.09 -0.41 1.02 -0.86 -4.93 120.64 110.03 3lqw n GLU 41 Ca -0.23 -0.64 -0.09 0.00 -0.02 0.00 0.00 57.16 56.17 3lqw n GLU 41 Cb 0.68 0.22 -0.09 0.00 -0.02 0.00 0.00 31.44 32.23 3lqw n GLU 41 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3lqw s ARG 42 N -2.31 0.95 -0.19 3.49 1.70 -1.26 -0.90 118.95 120.43 3lqw s ARG 42 Ca 0.01 -1.34 -0.15 0.00 -0.47 0.00 0.00 55.73 53.78 3lqw s ARG 42 Cb 0.00 0.27 0.05 0.00 -0.57 0.00 0.00 34.95 34.71 3lqw s ARG 42 CO 0.01 -0.28 0.48 0.12 -1.08 0.00 0.00 175.30 174.55 3lqw s PHE 43 N -4.01 -0.59 -0.48 5.89 2.19 -0.29 -4.90 117.98 115.79 3lqw s PHE 43 Ca 0.20 1.36 -0.21 0.00 0.33 0.00 0.00 56.93 58.61 3lqw s PHE 43 Cb 0.06 0.23 0.04 0.00 -1.31 0.00 0.00 43.02 42.04 3lqw s PHE 43 CO -0.00 -0.29 0.71 -1.17 1.83 0.00 0.00 175.22 176.29 3lqw s LEU 44 N 0.60 4.52 -0.17 6.12 2.96 -1.26 -1.32 118.68 130.12 3lqw s LEU 44 Ca -0.03 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.27 3lqw s LEU 44 Cb -0.05 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 3lqw s LEU 44 CO -0.04 -0.90 0.38 -0.69 -1.32 0.00 0.00 176.35 173.78 3lqw s VAL 45 N 3.02 5.23 -0.02 1.68 1.01 0.66 -4.88 120.40 127.10 3lqw s VAL 45 Ca 0.23 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 3lqw s VAL 45 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3lqw s VAL 45 CO 0.18 0.31 1.01 -0.55 0.00 0.00 0.00 175.10 176.05 3lqw s SER 46 N 0.79 7.30 0.12 3.32 0.15 -1.26 -0.89 113.70 123.22 3lqw s SER 46 Ca 0.20 1.67 0.22 0.00 0.70 0.00 0.00 55.95 58.74 3lqw s SER 46 Cb -0.14 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.52 3lqw s SER 46 CO 0.07 -0.33 0.89 0.35 1.20 0.00 0.00 173.24 175.42 3lqw n THR 47 N 4.07 0.39 -1.00 6.45 -2.24 -1.01 -0.75 114.28 120.20 3lqw n THR 47 Ca 0.07 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3lqw n THR 47 Cb 0.50 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3lqw n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lqw n GLY 48 N 1.23 0.72 3.28 3.38 0.00 -1.26 -4.24 105.19 108.30 3lqw n GLY 48 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3lqw n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lqw s VAL 49 N -2.87 1.49 0.27 1.61 -7.23 -1.26 -0.63 120.40 111.78 3lqw s VAL 49 Ca 0.00 -1.87 0.11 0.00 -1.81 0.00 0.00 61.98 58.41 3lqw s VAL 49 Cb 0.00 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 3lqw s VAL 49 CO 0.00 -0.45 -0.10 -0.94 -0.31 0.00 0.00 175.10 173.30 3lqw s SER 50 N -2.70 4.07 0.07 4.85 1.04 -0.58 -0.75 113.70 119.71 3lqw s SER 50 Ca 0.13 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.73 3lqw s SER 50 Cb -0.04 -0.57 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 3lqw s SER 50 CO 0.04 0.02 -0.05 0.68 0.98 0.00 0.00 173.24 174.91 3lqw s VAL 51 N -2.42 0.47 -0.30 5.02 -7.23 -1.26 -0.86 120.40 113.83 3lqw s VAL 51 Ca 0.31 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3lqw s VAL 51 Cb -0.06 -1.55 0.08 0.00 0.56 0.00 0.00 36.38 35.41 3lqw s VAL 51 CO 0.17 -0.90 -0.02 -1.58 -0.31 0.00 0.00 175.10 172.46 3lqw s GLN 52 N -3.75 1.78 0.41 4.82 0.74 -0.07 -4.61 119.66 118.98 3lqw s GLN 52 Ca 0.08 -1.55 -0.23 0.00 0.05 0.00 0.00 55.36 53.72 3lqw s GLN 52 Cb 0.06 -2.97 -0.09 0.00 1.10 0.00 0.00 33.01 31.10 3lqw s GLN 52 CO -0.07 -0.76 1.01 0.42 -0.55 0.00 0.00 175.29 175.35 3lqw s ILE 53 N 1.06 3.93 0.84 -2.34 1.01 -1.26 -2.18 121.20 122.25 3lqw s ILE 53 Ca 0.01 1.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.92 3lqw s ILE 53 Cb -0.19 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.71 3lqw s ILE 53 CO -0.07 -0.09 1.20 -2.84 0.00 0.00 0.00 174.94 173.14 3lqw s PRO 54 N -2.72 1.45 0.39 2.79 0.02 -1.26 -4.82 135.00 130.85 3lqw s PRO 54 Ca 0.59 1.72 -0.27 0.00 0.02 0.00 0.00 61.00 63.07 3lqw s PRO 54 Cb -0.18 -1.76 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 3lqw s PRO 54 CO 0.23 -2.35 1.42 1.58 -0.33 0.00 0.00 177.00 177.55 3lqw n HIS 55 N -3.54 2.74 -2.02 6.54 -0.00 -1.26 -2.53 115.22 115.15 3lqw n HIS 55 Ca 0.13 0.47 -0.17 0.00 0.46 0.00 0.00 57.72 58.61 3lqw n HIS 55 Cb 0.51 -2.49 -0.03 0.00 -0.12 0.00 0.00 29.99 27.86 3lqw n HIS 55 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3lqw n GLN 56 N 0.31 -1.28 -4.33 1.57 6.02 -1.26 -4.99 117.38 113.41 3lqw n GLN 56 Ca 0.03 0.92 -0.17 0.00 -0.01 0.00 0.00 57.00 57.77 3lqw n GLN 56 Cb 0.39 -5.27 -0.10 0.00 1.02 0.00 0.00 30.24 26.27 3lqw n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3lqw s TYR 58 N -3.51 1.28 -0.28 0.00 1.13 -0.66 -4.19 117.35 111.11 3lqw s TYR 58 Ca 0.31 -1.14 -0.11 0.00 -1.41 0.00 0.00 57.07 54.72 3lqw s TYR 58 Cb 0.07 -0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 40.16 3lqw s TYR 58 CO 0.10 -0.34 0.18 0.20 -2.51 0.00 0.00 175.55 173.18 3lqw s GLY 59 N -3.21 1.91 -0.18 5.49 0.00 -0.16 -1.28 107.32 109.90 3lqw s GLY 59 Ca 0.31 -1.14 -0.12 0.00 0.00 0.00 0.00 44.72 43.77 3lqw s GLY 59 CO 0.08 0.65 0.20 -1.60 0.00 0.00 0.00 173.10 172.44 3lqw s ARG 60 N 1.73 4.21 -0.12 2.90 3.52 0.09 -0.42 118.95 130.86 3lqw s ARG 60 Ca 0.07 -0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.31 3lqw s ARG 60 Cb -0.16 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3lqw s ARG 60 CO 0.10 0.28 0.93 0.42 -0.81 0.00 0.00 175.30 176.22 3lqw s ILE 61 N 0.39 4.83 0.12 4.11 -1.09 -0.32 -0.75 121.20 128.49 3lqw s ILE 61 Ca 0.12 1.87 0.08 0.00 -2.23 0.00 0.00 60.65 60.49 3lqw s ILE 61 Cb -0.12 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 3lqw s ILE 61 CO 0.01 0.03 -0.19 0.00 -1.23 0.00 0.00 174.94 173.55 3lqw s ALA 62 N 1.98 1.83 0.44 9.38 0.00 0.47 -4.80 121.76 131.06 3lqw s ALA 62 Ca 0.44 -1.32 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 3lqw s ALA 62 Cb -0.18 -0.21 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 3lqw s ALA 62 CO 0.16 0.30 1.02 -1.25 0.00 0.00 0.00 175.76 175.99 3lqw s PRO 63 N -2.23 4.04 0.06 0.00 0.04 -1.26 -1.04 135.00 134.61 3lqw s PRO 63 Ca 0.09 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3lqw s PRO 63 Cb -0.08 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 3lqw s PRO 63 CO 0.05 -0.22 1.10 1.03 0.04 0.00 0.00 177.00 178.99 3lqw s ARG 64 N -2.93 4.52 0.24 4.56 0.52 -1.26 -4.73 118.95 119.87 3lqw s ARG 64 Ca 0.62 1.63 -0.04 0.00 -0.52 0.00 0.00 55.73 57.42 3lqw s ARG 64 Cb -0.17 -3.37 0.27 0.00 0.52 0.00 0.00 34.95 32.20 3lqw s ARG 64 CO 0.21 -0.11 1.75 0.66 0.02 0.00 0.00 175.30 177.84 3lqw h SER 65 N 6.45 0.87 -0.51 0.23 4.64 -1.96 -2.62 113.55 120.65 3lqw h SER 65 Ca -0.42 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 60.64 3lqw h SER 65 Cb 1.22 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 3lqw h SER 65 CO 0.77 0.89 0.09 0.77 -0.87 0.00 0.00 176.83 178.48 3lqw h SER 66 N 0.86 0.84 0.24 4.97 4.64 -1.99 -0.24 113.55 122.87 3lqw h SER 66 Ca 0.18 -0.17 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3lqw h SER 66 Cb 0.40 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3lqw h SER 66 CO 0.01 0.85 -0.59 -0.07 -0.87 0.00 0.00 176.83 176.15 3lqw h LEU 67 N 0.84 0.41 0.07 5.97 3.38 -1.85 -0.12 115.31 124.01 3lqw h LEU 67 Ca 0.18 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3lqw h LEU 67 Cb 0.37 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3lqw h LEU 67 CO 0.01 0.91 -0.03 0.00 0.09 0.00 0.00 178.44 179.41 3lqw h ALA 68 N 1.10 -0.10 -0.09 1.53 0.00 -1.09 -1.58 119.26 119.04 3lqw h ALA 68 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3lqw h ALA 68 Cb 1.11 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3lqw h ALA 68 CO 0.10 -0.45 -0.01 -0.07 0.00 0.00 0.00 179.25 178.82 3lqw h LEU 69 N -0.30 0.17 0.11 0.00 4.07 -0.96 -1.72 115.31 116.68 3lqw h LEU 69 Ca -0.01 -0.34 -0.29 0.00 0.08 0.00 0.00 57.88 57.32 3lqw h LEU 69 Cb 0.26 -0.05 0.02 0.00 1.08 0.00 0.00 40.66 41.98 3lqw h LEU 69 CO 0.02 0.47 -1.26 0.11 -1.08 0.00 0.00 178.44 176.70 3lqw h LYS 70 N -0.14 0.45 0.00 1.13 1.57 -1.12 -3.40 116.57 115.07 3lqw h LYS 70 Ca 0.02 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3lqw h LYS 70 Cb 0.39 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3lqw h LYS 70 CO 0.01 1.30 0.00 0.66 -0.57 0.00 0.00 179.45 180.85 3lqw n TYR 71 N -3.67 0.00 -1.68 -1.35 4.01 -0.64 -5.02 117.16 108.81 3lqw n TYR 71 Ca -0.12 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.53 3lqw n TYR 71 Cb 1.01 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.01 3lqw n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lqw n GLY 72 N 0.28 0.58 3.73 2.72 0.00 -0.65 -4.54 105.19 107.31 3lqw n GLY 72 Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3lqw n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lqw s ILE 73 N -2.39 4.70 0.25 -0.61 -1.09 -0.95 -0.94 121.20 120.17 3lqw s ILE 73 Ca 0.00 1.92 0.08 0.00 -2.23 0.00 0.00 60.65 60.42 3lqw s ILE 73 Cb 0.00 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 3lqw s ILE 73 CO 0.00 0.28 -0.11 -0.62 -1.23 0.00 0.00 174.94 173.26 3lqw s ASP 74 N 0.34 2.82 -0.12 3.58 2.15 -0.31 -3.55 116.67 121.58 3lqw s ASP 74 Ca 0.46 -1.11 0.01 0.00 0.43 0.00 0.00 52.55 52.34 3lqw s ASP 74 Cb -0.22 -0.18 0.02 0.00 -0.30 0.00 0.00 42.92 42.24 3lqw s ASP 74 CO 0.27 -0.23 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.20 3lqw s VAL 75 N -2.93 1.50 0.01 1.11 1.01 -1.26 -0.51 120.40 119.33 3lqw s VAL 75 Ca 0.27 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3lqw s VAL 75 Cb 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3lqw s VAL 75 CO 0.10 0.44 0.01 0.61 0.00 0.00 0.00 175.10 176.27 3lqw n GLY 76 N 4.37 1.97 7.00 4.51 0.00 -0.42 -4.73 105.19 117.89 3lqw n GLY 76 Ca -0.18 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.70 3lqw n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqw n ALA 77 N -2.99 0.00 -0.94 4.61 0.00 -1.26 -4.42 120.51 115.51 3lqw n ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3lqw n ALA 77 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3lqw n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lqw n GLY 78 N 0.00 1.06 3.43 0.00 0.00 -1.26 -4.85 105.19 103.57 3lqw n GLY 78 Ca 0.00 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 3lqw n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lqw s VAL 79 N -2.00 4.21 -0.39 1.61 1.01 -1.26 -1.18 120.40 122.39 3lqw s VAL 79 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 3lqw s VAL 79 Cb 0.00 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.45 3lqw s VAL 79 CO 0.00 0.33 0.23 -0.63 0.00 0.00 0.00 175.10 175.03 3lqw s ILE 80 N 1.60 4.44 0.56 2.22 -1.09 0.44 -4.99 121.20 124.39 3lqw s ILE 80 Ca 0.06 -1.07 -0.18 0.00 -2.23 0.00 0.00 60.65 57.23 3lqw s ILE 80 Cb -0.15 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 3lqw s ILE 80 CO 0.03 -0.34 1.09 -1.81 -1.23 0.00 0.00 174.94 172.68 3lqw s ASP 81 N 1.78 5.76 0.60 3.58 1.01 -1.26 -0.98 116.67 127.15 3lqw s ASP 81 Ca 0.02 2.01 0.30 0.00 0.71 0.00 0.00 52.55 55.59 3lqw s ASP 81 Cb -0.21 -2.56 1.74 0.00 1.01 0.00 0.00 42.92 42.91 3lqw s ASP 81 CO 0.05 -1.19 2.15 -0.08 0.21 0.00 0.00 175.17 176.31 3lqw h GLU 82 N 0.89 0.00 -0.21 8.23 4.81 -1.88 -1.47 114.58 124.95 3lqw h GLU 82 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3lqw h GLU 82 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3lqw h GLU 82 CO 0.57 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.60 3lqw n ASP 83 N -3.75 2.92 -4.72 1.04 8.00 -1.26 -4.32 116.55 114.47 3lqw n ASP 83 Ca -0.00 -1.92 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 3lqw n ASP 83 Cb 0.25 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 3lqw n ASP 83 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3lqw s TYR 84 N -1.75 3.67 0.00 1.24 5.04 -0.56 -4.93 117.35 120.07 3lqw s TYR 84 Ca 0.34 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 3lqw s TYR 84 Cb 0.21 -3.02 0.00 0.00 0.35 0.00 0.00 41.96 39.50 3lqw s TYR 84 CO 0.31 0.06 0.81 0.54 -1.34 0.00 0.00 175.55 175.93 3lqw n ARG 85 N 3.64 1.83 -1.79 4.97 5.12 -1.26 -4.64 116.66 124.53 3lqw n ARG 85 Ca 0.03 -1.14 -0.29 0.00 -1.93 0.00 0.00 57.85 54.52 3lqw n ARG 85 Cb 0.51 -0.90 0.12 0.00 -1.16 0.00 0.00 32.46 31.03 3lqw n ARG 85 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3lqw s GLY 86 N -0.66 1.61 0.37 -0.13 0.00 -1.26 -4.83 107.32 102.42 3lqw s GLY 86 Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 44.72 43.75 3lqw s GLY 86 CO 0.00 -0.14 1.41 1.85 0.00 0.00 0.00 173.10 176.22 3lqw s GLU 87 N -5.54 4.16 -0.14 2.90 2.12 -1.26 -4.45 118.70 116.50 3lqw s GLU 87 Ca 0.64 2.41 -0.29 0.00 0.36 0.00 0.00 54.97 58.09 3lqw s GLU 87 Cb -0.11 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 3lqw s GLU 87 CO 0.51 -0.43 1.22 0.42 -0.54 0.00 0.00 175.26 176.44 3lqw s ILE 88 N -1.14 4.32 -0.03 -3.70 1.01 0.07 -4.97 121.20 116.77 3lqw s ILE 88 Ca 0.52 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.82 3lqw s ILE 88 Cb -0.43 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 37.99 3lqw s ILE 88 CO 0.58 -0.10 -0.13 -0.54 0.00 0.00 0.00 174.94 174.76 3lqw s LYS 89 N 3.06 1.23 -0.17 2.79 1.02 -1.26 -2.40 119.74 124.01 3lqw s LYS 89 Ca 0.54 -0.45 -0.03 0.00 0.02 0.00 0.00 55.97 56.05 3lqw s LYS 89 Cb -0.22 -1.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.94 3lqw s LYS 89 CO 0.16 0.21 -0.06 0.08 -0.92 0.00 0.00 175.35 174.82 3lqw s VAL 90 N -0.02 3.50 -0.38 3.17 1.01 -0.07 -4.91 120.40 122.70 3lqw s VAL 90 Ca -0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 3lqw s VAL 90 Cb -0.08 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3lqw s VAL 90 CO 0.01 0.47 0.71 -0.63 0.00 0.00 0.00 175.10 175.65 3lqw s ILE 91 N 0.79 4.80 -0.22 2.22 -1.09 -1.26 -0.25 121.20 126.19 3lqw s ILE 91 Ca -0.02 0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 58.89 3lqw s ILE 91 Cb -0.15 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.51 3lqw s ILE 91 CO 0.02 -0.45 0.18 -0.76 -1.23 0.00 0.00 174.94 172.70 3lqw s LEU 92 N 2.94 4.16 -0.20 2.97 1.02 -0.44 -1.29 118.68 127.83 3lqw s LEU 92 Ca 0.27 0.22 -0.09 0.00 0.02 0.00 0.00 54.13 54.55 3lqw s LEU 92 Cb -0.14 -2.16 -0.05 0.00 0.02 0.00 0.00 46.19 43.87 3lqw s LEU 92 CO 0.17 0.09 0.10 -0.36 0.02 0.00 0.00 176.35 176.37 3lqw s PHE 93 N 0.82 3.31 -0.64 0.29 0.08 0.33 -1.14 117.98 121.03 3lqw s PHE 93 Ca 0.10 0.17 -0.16 0.00 0.12 0.00 0.00 56.93 57.15 3lqw s PHE 93 Cb -0.13 -2.14 0.15 0.00 -0.57 0.00 0.00 43.02 40.33 3lqw s PHE 93 CO 0.03 0.17 0.63 1.21 -0.10 0.00 0.00 175.22 177.15 3lqw s ASN 94 N 0.53 6.36 -1.22 1.36 2.47 -0.08 -1.16 114.94 123.20 3lqw s ASN 94 Ca 0.06 -1.98 -0.04 0.00 0.42 0.00 0.00 52.86 51.31 3lqw s ASN 94 Cb -0.12 -2.23 0.19 0.00 -1.45 0.00 0.00 41.25 37.64 3lqw s ASN 94 CO 0.00 -0.83 2.16 1.41 -3.72 0.00 0.00 177.10 176.12 3lqw n HIS 95 N 5.13 2.66 -3.92 0.43 8.25 -0.11 -0.58 115.22 127.08 3lqw n HIS 95 Ca -0.04 -2.73 -0.09 0.00 -0.26 0.00 0.00 57.72 54.59 3lqw n HIS 95 Cb 0.43 -1.62 -0.06 0.00 1.12 0.00 0.00 29.99 29.86 3lqw n HIS 95 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3lqw s SER 96 N -0.21 -0.09 0.00 0.41 1.04 -1.26 -4.64 113.70 108.95 3lqw s SER 96 Ca 0.48 -0.80 0.23 0.00 0.48 0.00 0.00 55.95 56.34 3lqw s SER 96 Cb 0.18 0.53 1.01 0.00 0.10 0.00 0.00 66.02 67.84 3lqw s SER 96 CO -0.10 -1.03 1.69 0.59 0.98 0.00 0.00 173.24 175.38 3lqw n ASN 97 N -0.31 1.14 -4.53 7.02 3.02 -1.26 -2.67 115.26 117.67 3lqw n ASN 97 Ca -0.06 -1.53 -0.31 0.00 -0.03 0.00 0.00 54.58 52.66 3lqw n ASN 97 Cb 0.62 -0.05 -0.11 0.00 -0.61 0.00 0.00 39.78 39.63 3lqw n ASN 97 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3lqw s GLU 98 N -1.90 2.20 0.31 3.52 8.01 -1.26 -4.75 118.70 124.83 3lqw s GLU 98 Ca 0.34 -0.93 -0.30 0.00 0.01 0.00 0.00 54.97 54.09 3lqw s GLU 98 Cb 0.18 -2.31 -0.12 0.00 -4.31 0.00 0.00 34.13 27.58 3lqw s GLU 98 CO 0.28 0.54 1.57 -0.89 0.01 0.00 0.00 175.26 176.78 3lqw n ILE 99 N 1.24 1.23 -3.86 -1.63 5.41 -1.26 -4.13 119.36 116.36 3lqw n ILE 99 Ca -0.15 -0.31 -0.36 0.00 1.00 0.00 0.00 62.75 62.94 3lqw n ILE 99 Cb 0.52 -1.96 -0.11 0.00 -0.71 0.00 0.00 39.64 37.38 3lqw n ILE 99 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3lqw s PHE 100 N -0.24 3.19 -0.34 1.39 5.36 -0.08 -4.97 117.98 122.29 3lqw s PHE 100 Ca 0.62 -0.09 -0.10 0.00 -0.96 0.00 0.00 56.93 56.40 3lqw s PHE 100 Cb -0.49 -2.18 0.01 0.00 -0.34 0.00 0.00 43.02 40.02 3lqw s PHE 100 CO 0.52 -0.07 0.17 -0.80 -1.46 0.00 0.00 175.22 173.58 3lqw s ASN 101 N 1.02 5.58 -0.06 6.13 -0.87 -1.26 -0.91 114.94 124.57 3lqw s ASN 101 Ca 0.05 -0.77 -0.04 0.00 -1.57 0.00 0.00 52.86 50.52 3lqw s ASN 101 Cb -0.14 -2.00 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 3lqw s ASN 101 CO 0.03 -0.28 0.14 -0.83 -2.57 0.00 0.00 177.10 173.59 3lqw s GLY 102 N 1.57 2.13 0.06 0.66 0.00 0.36 -4.99 107.32 107.11 3lqw s GLY 102 Ca 0.03 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.10 3lqw s GLY 102 CO 0.06 -0.55 -0.21 0.50 0.00 0.00 0.00 173.10 172.90 3lqw s ARG 103 N -1.48 1.89 0.09 2.90 0.52 -1.26 -0.84 118.95 120.77 3lqw s ARG 103 Ca 0.21 -1.08 -0.36 0.00 -0.52 0.00 0.00 55.73 53.98 3lqw s ARG 103 Cb -0.12 -2.09 -0.16 0.00 0.52 0.00 0.00 34.95 33.10 3lqw s ARG 103 CO 0.11 0.52 1.43 1.17 0.02 0.00 0.00 175.30 178.55 3lqw n LYS 104 N 1.45 1.45 -0.09 3.54 4.81 -1.04 -1.19 118.16 127.08 3lqw n LYS 104 Ca -0.16 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3lqw n LYS 104 Cb 0.52 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.37 3lqw n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3lqw n GLY 105 N 2.88 1.29 3.77 3.14 0.00 0.60 -4.95 105.19 111.91 3lqw n GLY 105 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3lqw n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lqw s ASP 106 N -2.95 6.64 -0.06 1.61 1.01 -0.34 -4.70 116.67 117.87 3lqw s ASP 106 Ca 0.00 2.46 -0.30 0.00 0.71 0.00 0.00 52.55 55.43 3lqw s ASP 106 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3lqw s ASP 106 CO 0.00 -0.60 1.20 -0.13 0.21 0.00 0.00 175.17 175.85 3lqw s ARG 107 N -2.06 4.34 -0.00 8.23 0.52 -1.26 -0.81 118.95 127.91 3lqw s ARG 107 Ca 0.53 1.67 0.01 0.00 -0.52 0.00 0.00 55.73 57.43 3lqw s ARG 107 Cb -0.34 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 3lqw s ARG 107 CO 0.44 -0.47 0.05 0.44 0.02 0.00 0.00 175.30 175.78 3lqw n ILE 108 N 4.68 0.00 -3.87 1.52 -5.35 -0.23 -4.95 119.36 111.16 3lqw n ILE 108 Ca 0.11 -0.30 0.01 0.00 -0.27 0.00 0.00 62.75 62.30 3lqw n ILE 108 Cb 0.46 0.79 0.01 0.00 -1.74 0.00 0.00 39.64 39.16 3lqw n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3lqw s ALA 109 N -1.51 -2.23 0.10 -1.28 0.00 -1.24 -4.60 121.76 111.01 3lqw s ALA 109 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.13 3lqw s ALA 109 Cb 0.01 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3lqw s ALA 109 CO 0.06 -1.11 -0.12 1.14 0.00 0.00 0.00 175.76 175.74 3lqw s GLN 110 N -2.18 0.90 -0.18 0.00 -2.07 -0.21 -1.31 119.66 114.62 3lqw s GLN 110 Ca 0.24 -1.17 -0.03 0.00 -1.82 0.00 0.00 55.36 52.58 3lqw s GLN 110 Cb 0.00 -0.67 -0.01 0.00 -1.09 0.00 0.00 33.01 31.24 3lqw s GLN 110 CO -0.00 0.12 -0.07 -1.17 -1.32 0.00 0.00 175.29 172.85 3lqw s LEU 111 N -2.41 2.92 -0.17 2.60 2.96 0.52 -0.39 118.68 124.71 3lqw s LEU 111 Ca 0.06 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3lqw s LEU 111 Cb -0.04 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3lqw s LEU 111 CO 0.01 0.08 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.45 3lqw s ILE 112 N 0.88 3.76 -0.77 6.68 -1.09 0.07 -0.65 121.20 130.09 3lqw s ILE 112 Ca -0.02 -0.40 -0.19 0.00 -2.23 0.00 0.00 60.65 57.82 3lqw s ILE 112 Cb -0.15 -2.66 0.12 0.00 -1.58 0.00 0.00 42.46 38.20 3lqw s ILE 112 CO 0.01 0.48 0.93 -0.63 -1.23 0.00 0.00 174.94 174.50 3lqw s ILE 113 N 0.57 4.79 -0.01 2.92 -1.09 -1.26 -0.73 121.20 126.39 3lqw s ILE 113 Ca -0.03 -1.30 -0.18 0.00 -2.23 0.00 0.00 60.65 56.92 3lqw s ILE 113 Cb -0.14 -4.64 -0.06 0.00 -1.58 0.00 0.00 42.46 36.04 3lqw s ILE 113 CO 0.03 -1.33 0.49 -1.61 -1.23 0.00 0.00 174.94 171.29 3lqw s GLU 114 N 2.63 4.16 0.05 2.79 0.41 -0.41 -4.92 118.70 123.41 3lqw s GLU 114 Ca 0.23 0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 55.07 3lqw s GLU 114 Cb -0.13 -3.30 -0.05 0.00 -1.78 0.00 0.00 34.13 28.87 3lqw s GLU 114 CO -0.01 0.50 0.86 1.03 -0.49 0.00 0.00 175.26 177.15 3lqw s ARG 115 N -0.54 4.57 0.19 1.61 0.52 -1.26 -1.65 118.95 122.38 3lqw s ARG 115 Ca 0.27 1.24 0.01 0.00 -0.52 0.00 0.00 55.73 56.73 3lqw s ARG 115 Cb -0.17 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 3lqw s ARG 115 CO 0.15 0.18 0.03 0.96 0.02 0.00 0.00 175.30 176.63 3lqw s ILE 116 N 0.24 0.60 -0.16 1.52 -4.36 -0.94 -4.97 121.20 113.12 3lqw s ILE 116 Ca 0.44 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.78 3lqw s ILE 116 Cb -0.21 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 3lqw s ILE 116 CO 0.26 -0.37 0.08 -0.55 0.24 0.00 0.00 174.94 174.60 3lqw s SER 117 N -3.19 5.84 -0.43 4.36 0.15 -1.26 -4.73 113.70 114.43 3lqw s SER 117 Ca 0.27 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.12 3lqw s SER 117 Cb 0.07 -1.94 0.38 0.00 -1.71 0.00 0.00 66.02 62.82 3lqw s SER 117 CO 0.06 0.25 1.90 -1.22 1.20 0.00 0.00 173.24 175.44 3lqw n TYR 118 N 3.00 2.32 -1.55 3.44 4.01 -1.26 -5.02 117.16 122.11 3lqw n TYR 118 Ca -0.17 -2.13 -0.41 0.00 -0.16 0.00 0.00 57.90 55.02 3lqw n TYR 118 Cb 0.53 -1.05 0.01 0.00 -0.31 0.00 0.00 39.34 38.52 3lqw n TYR 118 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3lqw s ARG 120 N -1.87 2.35 -0.15 0.00 1.70 -1.26 -5.04 118.95 114.68 3lqw s ARG 120 Ca 0.64 0.91 -0.01 0.00 -0.47 0.00 0.00 55.73 56.80 3lqw s ARG 120 Cb -0.58 -1.93 -0.01 0.00 -0.57 0.00 0.00 34.95 31.86 3lqw s ARG 120 CO 0.57 -1.51 -0.12 0.42 -1.08 0.00 0.00 175.30 173.58 3lqw s ILE 121 N -3.02 3.06 -0.05 4.99 1.01 -1.26 -5.11 121.20 120.81 3lqw s ILE 121 Ca 0.60 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3lqw s ILE 121 Cb -0.15 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3lqw s ILE 121 CO 0.55 0.51 -0.07 -0.44 0.00 0.00 0.00 174.94 175.49 3lqw s SER 122 N 0.57 1.23 0.09 3.58 0.01 -1.26 -5.13 113.70 112.79 3lqw s SER 122 Ca -0.07 -0.19 -0.25 0.00 1.31 0.00 0.00 55.95 56.75 3lqw s SER 122 Cb -0.15 -0.58 -0.06 0.00 0.21 0.00 0.00 66.02 65.44 3lqw s SER 122 CO 0.03 -0.03 0.78 -0.70 0.41 0.00 0.00 173.24 173.74 3lqw s GLU 123 N 0.84 4.53 0.07 12.44 2.12 -1.26 -5.06 118.70 132.38 3lqw s GLU 123 Ca -0.12 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.34 3lqw s GLU 123 Cb -0.15 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 3lqw s GLU 123 CO 0.01 0.36 -0.05 0.14 -0.54 0.00 0.00 175.26 175.18 3lqw s VAL 124 N -0.37 0.45 0.08 3.70 -7.23 -1.26 -5.07 120.40 110.71 3lqw s VAL 124 Ca 0.38 -1.80 0.12 0.00 -1.81 0.00 0.00 61.98 58.87 3lqw s VAL 124 Cb -0.21 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 3lqw s VAL 124 CO 0.24 -0.89 1.47 0.07 -0.31 0.00 0.00 175.10 175.68 3lqw h LYS 125 N 3.18 0.00 -3.27 4.82 -0.00 -2.09 -3.45 116.57 115.75 3lqw h LYS 125 Ca -0.35 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.15 3lqw h LYS 125 Cb 1.16 0.00 -0.23 0.00 -0.00 0.00 0.00 32.23 33.16 3lqw h LYS 125 CO 0.63 0.68 -0.43 -1.21 -0.00 0.00 0.00 179.45 179.12 3lqw s GLU 126 N -3.10 0.43 0.45 0.07 0.41 -1.26 -5.17 118.70 110.54 3lqw s GLU 126 Ca 0.01 -0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.55 3lqw s GLU 126 Cb 0.10 0.19 0.01 0.00 -1.78 0.00 0.00 34.13 32.65 3lqw s GLU 126 CO 0.76 -0.09 0.65 -0.51 -0.49 0.00 0.00 175.26 175.58 3lqw s LEU 127 N -0.72 3.60 0.78 1.80 1.43 -1.26 -5.11 118.68 119.20 3lqw s LEU 127 Ca -0.08 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3lqw s LEU 127 Cb -0.05 -2.93 0.06 0.00 0.03 0.00 0.00 46.19 43.30 3lqw s LEU 127 CO 0.02 -0.79 1.09 0.54 0.23 0.00 0.00 176.35 177.44 3lqw s ASN 128 N -4.29 4.44 0.24 2.29 4.22 -1.26 -5.04 114.94 115.54 3lqw s ASN 128 Ca 0.51 1.72 -0.10 0.00 -2.14 0.00 0.00 52.86 52.85 3lqw s ASN 128 Cb -0.10 -2.44 -0.07 0.00 1.28 0.00 0.00 41.25 39.92 3lqw s ASN 128 CO 0.36 -2.06 0.56 0.42 -2.04 0.00 0.00 177.10 174.34 3lqw s THR 129 N -2.94 4.91 0.00 0.54 -4.23 -1.26 -5.32 115.64 107.35 3lqw s THR 129 Ca 0.61 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 3lqw s THR 129 Cb -0.17 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.06 3lqw s THR 129 CO 0.56 -0.08 0.31 0.35 -0.54 0.00 0.00 174.62 175.23