#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqw s GLN 2 N 0.00 4.56 -0.11 2.12 -0.21 -1.26 -5.05 119.66 119.71 1nqw s GLN 2 Ca 0.00 1.27 0.02 0.00 0.02 0.00 0.00 55.36 56.67 1nqw s GLN 2 Cb 0.00 -3.43 0.01 0.00 1.00 0.00 0.00 33.01 30.60 1nqw s GLN 2 CO 0.00 0.07 -0.17 0.42 -2.12 0.00 0.00 175.29 173.49 1nqw s ILE 3 N 0.61 1.62 -0.09 1.08 1.01 -1.26 -5.12 121.20 119.06 1nqw s ILE 3 Ca 0.46 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.42 1nqw s ILE 3 Cb -0.21 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1nqw s ILE 3 CO 0.26 0.47 -0.18 -0.31 0.00 0.00 0.00 174.94 175.17 1nqw s TYR 4 N 0.94 2.66 0.14 3.97 1.51 -1.26 -5.12 117.35 120.19 1nqw s TYR 4 Ca -0.07 -0.66 -0.15 0.00 -1.01 0.00 0.00 57.07 55.18 1nqw s TYR 4 Cb -0.15 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1nqw s TYR 4 CO -0.01 -0.19 0.39 -1.83 -1.11 0.00 0.00 175.55 172.80 1nqw s GLU 5 N 0.05 1.12 -0.12 -0.62 -1.05 -1.26 -5.11 118.70 111.70 1nqw s GLU 5 Ca -0.07 -0.81 -0.05 0.00 -0.15 0.00 0.00 54.97 53.89 1nqw s GLU 5 Cb -0.15 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 1nqw s GLU 5 CO 0.05 -0.44 0.06 0.20 0.95 0.00 0.00 175.26 176.08 1nqw s GLY 6 N -2.84 1.95 0.79 -3.83 0.00 -1.26 -4.44 107.32 97.69 1nqw s GLY 6 Ca 0.06 -0.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.97 1nqw s GLY 6 CO -0.09 -0.36 1.10 -1.59 0.00 0.00 0.00 173.10 172.16 1nqw s LYS 7 N -0.61 1.47 -0.09 2.90 -2.85 -1.26 -4.86 119.74 114.43 1nqw s LYS 7 Ca 0.11 -0.69 0.14 0.00 -1.00 0.00 0.00 55.97 54.53 1nqw s LYS 7 Cb -0.12 -2.14 0.45 0.00 -2.06 0.00 0.00 37.83 33.96 1nqw s LYS 7 CO 0.02 -1.70 1.37 1.28 0.10 0.00 0.00 175.35 176.41 1nqw n LEU 8 N -3.15 3.54 -4.74 2.77 4.77 -1.26 -4.10 117.00 114.83 1nqw n LEU 8 Ca 0.13 -2.52 -0.39 0.00 -0.03 0.00 0.00 56.01 53.21 1nqw n LEU 8 Cb 0.60 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1nqw n LEU 8 CO 0.46 0.71 0.29 0.42 -1.33 0.00 0.00 177.39 177.93 1nqw s THR 9 N -1.93 5.02 -1.20 -5.08 -4.23 -1.26 -4.86 115.64 102.10 1nqw s THR 9 Ca 0.34 1.22 0.18 0.00 -1.18 0.00 0.00 61.69 62.25 1nqw s THR 9 Cb 0.24 -3.93 0.60 0.00 1.34 0.00 0.00 72.50 70.76 1nqw s THR 9 CO 0.13 0.35 1.52 0.00 -0.54 0.00 0.00 174.62 176.08 1nqw n ALA 10 N 3.27 2.72 -1.66 3.99 0.00 0.88 -4.99 120.51 124.71 1nqw n ALA 10 Ca -0.05 -1.51 -0.50 0.00 0.00 0.00 0.00 53.44 51.39 1nqw n ALA 10 Cb 0.51 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 1nqw n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nqw n GLU 11 N 0.98 1.81 -0.73 0.00 2.13 -1.24 -1.17 120.64 122.42 1nqw n GLU 11 Ca 0.22 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1nqw n GLU 11 Cb 0.73 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1nqw n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqw n GLY 12 N 3.62 1.33 3.83 8.31 0.00 -1.26 -4.99 105.19 116.03 1nqw n GLY 12 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1nqw n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqw s LEU 13 N 0.00 4.09 -0.11 0.99 1.43 -0.31 -5.06 118.68 119.72 1nqw s LEU 13 Ca 0.00 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 1nqw s LEU 13 Cb 0.00 -4.11 0.01 0.00 0.03 0.00 0.00 46.19 42.11 1nqw s LEU 13 CO 0.00 -0.20 -0.19 -0.13 0.23 0.00 0.00 176.35 176.06 1nqw s ARG 14 N -2.83 2.59 0.04 1.70 0.52 -1.26 -4.61 118.95 115.10 1nqw s ARG 14 Ca 0.54 -0.71 0.09 0.00 -0.52 0.00 0.00 55.73 55.13 1nqw s ARG 14 Cb -0.11 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 1nqw s ARG 14 CO 0.17 0.04 -0.25 -0.06 0.02 0.00 0.00 175.30 175.23 1nqw s PHE 15 N 0.68 2.19 -0.16 -0.53 0.40 -0.52 -0.51 117.98 119.53 1nqw s PHE 15 Ca -0.12 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.73 1nqw s PHE 15 Cb -0.16 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1nqw s PHE 15 CO 0.03 0.10 0.09 0.20 0.70 0.00 0.00 175.22 176.34 1nqw s GLY 16 N -1.16 2.00 -0.11 4.36 0.00 -0.37 -0.61 107.32 111.43 1nqw s GLY 16 Ca 0.11 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.15 1nqw s GLY 16 CO 0.02 -0.12 -0.23 -0.42 0.00 0.00 0.00 173.10 172.35 1nqw s ILE 17 N -0.17 2.02 -0.22 0.90 1.01 0.90 0.06 121.20 125.70 1nqw s ILE 17 Ca 0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 1nqw s ILE 17 Cb -0.12 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1nqw s ILE 17 CO 0.01 0.55 -0.08 -0.69 0.00 0.00 0.00 174.94 174.73 1nqw s VAL 18 N 0.48 3.00 -0.09 2.92 1.01 -0.49 -0.44 120.40 126.79 1nqw s VAL 18 Ca -0.16 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1nqw s VAL 18 Cb -0.17 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1nqw s VAL 18 CO 0.06 0.39 -0.13 0.00 0.00 0.00 0.00 175.10 175.41 1nqw s ALA 19 N 1.40 1.49 0.60 5.51 0.00 0.47 -0.70 121.76 130.53 1nqw s ALA 19 Ca 0.04 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 1nqw s ALA 19 Cb -0.15 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 1nqw s ALA 19 CO -0.05 -0.05 0.93 -1.54 0.00 0.00 0.00 175.76 175.05 1nqw s SER 20 N 0.97 5.74 -0.04 0.00 1.04 -0.90 -2.21 113.70 118.31 1nqw s SER 20 Ca -0.08 0.91 0.22 0.00 0.48 0.00 0.00 55.95 57.47 1nqw s SER 20 Cb -0.15 -1.92 -0.32 0.00 0.10 0.00 0.00 66.02 63.73 1nqw s SER 20 CO -0.00 -1.02 0.46 0.54 0.98 0.00 0.00 173.24 174.20 1nqw n ARG 21 N -2.63 0.66 -1.75 4.02 1.74 -0.04 -4.79 116.66 113.87 1nqw n ARG 21 Ca 0.04 -0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 1nqw n ARG 21 Cb 0.57 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.47 1nqw n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nqw n PHE 22 N -2.32 2.80 -3.40 -1.55 7.35 -0.49 -1.44 117.46 118.40 1nqw n PHE 22 Ca -0.07 0.38 -0.24 0.00 -0.76 0.00 0.00 57.45 56.76 1nqw n PHE 22 Cb 0.63 -2.54 0.06 0.00 0.35 0.00 0.00 39.48 37.98 1nqw n PHE 22 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1nqw n ASN 23 N 1.30 -6.21 0.25 -2.13 3.02 -1.26 -4.48 115.26 105.75 1nqw n ASN 23 Ca 0.05 -0.46 0.07 0.00 -0.03 0.00 0.00 54.58 54.22 1nqw n ASN 23 Cb 0.37 -4.94 0.61 0.00 -0.61 0.00 0.00 39.78 35.21 1nqw n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1nqw h HIS 24 N -2.19 0.00 -0.09 3.10 2.07 -1.55 -0.21 115.15 116.28 1nqw h HIS 24 Ca -0.56 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 56.99 1nqw h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 1nqw h HIS 24 CO 0.52 0.05 0.09 0.00 -3.07 0.00 0.00 177.93 175.52 1nqw h ALA 25 N 1.95 1.71 0.03 6.11 0.00 -1.90 0.33 119.26 127.49 1nqw h ALA 25 Ca -0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1nqw h ALA 25 Cb 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1nqw h ALA 25 CO 0.01 -0.14 -2.23 1.28 0.00 0.00 0.00 179.25 178.16 1nqw n LEU 26 N -3.90 2.55 -0.29 0.00 4.77 -0.19 -4.25 117.00 115.69 1nqw n LEU 26 Ca -0.01 0.12 0.03 0.00 -0.03 0.00 0.00 56.01 56.12 1nqw n LEU 26 Cb 0.20 -0.95 0.17 0.00 -2.33 0.00 0.00 43.42 40.51 1nqw n LEU 26 CO 0.28 0.76 1.13 0.58 -1.33 0.00 0.00 177.39 178.82 1nqw h VAL 27 N -0.31 0.88 -0.69 4.08 2.07 -0.88 -1.57 116.25 119.82 1nqw h VAL 27 Ca -0.54 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 66.82 1nqw h VAL 27 Cb 1.80 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1nqw h VAL 27 CO -0.13 0.14 0.46 0.44 0.02 0.00 0.00 177.57 178.49 1nqw h ASP 28 N 0.75 0.50 -0.01 0.57 3.32 -0.54 0.12 116.42 121.13 1nqw h ASP 28 Ca 0.41 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.30 1nqw h ASP 28 Cb 0.41 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1nqw h ASP 28 CO -0.27 0.30 -0.55 0.03 -1.72 0.00 0.00 179.24 177.04 1nqw h ARG 29 N 0.56 0.59 -0.69 3.56 2.47 -1.47 -2.02 114.38 117.38 1nqw h ARG 29 Ca 0.32 -0.37 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1nqw h ARG 29 Cb 0.49 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 1nqw h ARG 29 CO -0.10 0.99 0.15 -0.07 0.56 0.00 0.00 179.97 181.49 1nqw h LEU 30 N 0.46 1.05 -0.61 3.04 3.38 -0.50 -1.45 115.31 120.67 1nqw h LEU 30 Ca 0.01 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1nqw h LEU 30 Cb 1.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1nqw h LEU 30 CO 0.11 1.02 0.10 0.58 0.09 0.00 0.00 178.44 180.33 1nqw h VAL 31 N 1.04 1.26 -0.85 1.22 2.07 -0.77 -1.18 116.25 119.04 1nqw h VAL 31 Ca 0.21 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1nqw h VAL 31 Cb 0.39 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1nqw h VAL 31 CO 0.01 0.37 0.55 -0.33 0.02 0.00 0.00 177.57 178.19 1nqw h GLU 32 N 0.92 1.14 -0.37 1.57 5.08 -1.08 -1.93 114.58 119.90 1nqw h GLU 32 Ca 0.18 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1nqw h GLU 32 Cb 0.43 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1nqw h GLU 32 CO 0.01 0.76 -0.09 0.78 -1.00 0.00 0.00 179.01 179.48 1nqw h GLY 33 N 1.16 0.78 0.96 -3.84 0.00 -0.91 -1.53 103.07 99.69 1nqw h GLY 33 Ca 0.31 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1nqw h GLY 33 CO -0.06 0.59 0.19 0.00 0.00 0.00 0.00 176.54 177.26 1nqw h ALA 34 N 0.83 0.53 -0.26 3.60 0.00 -1.01 -1.47 119.26 121.47 1nqw h ALA 34 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nqw h ALA 34 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1nqw h ALA 34 CO 0.04 0.10 0.06 0.82 0.00 0.00 0.00 179.25 180.27 1nqw h ILE 35 N 0.53 1.21 -0.74 0.00 2.04 -1.30 -1.72 117.51 117.54 1nqw h ILE 35 Ca 0.14 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1nqw h ILE 35 Cb 0.13 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1nqw h ILE 35 CO -0.02 0.23 0.47 -0.78 0.00 0.00 0.00 178.15 178.05 1nqw h ASP 36 N 0.26 0.77 -0.34 1.72 3.58 -1.21 0.08 116.42 121.28 1nqw h ASP 36 Ca 0.08 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1nqw h ASP 36 Cb 0.29 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1nqw h ASP 36 CO 0.00 0.54 0.21 0.00 -2.88 0.00 0.00 179.24 177.11 1nqw h ILE 38 N 0.43 0.91 -0.20 0.00 2.04 -0.65 -2.09 117.51 117.96 1nqw h ILE 38 Ca 0.13 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1nqw h ILE 38 Cb -0.03 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1nqw h ILE 38 CO -0.04 0.03 0.05 0.58 0.00 0.00 0.00 178.15 178.78 1nqw h VAL 39 N -0.23 1.20 0.00 1.67 2.07 -0.81 -0.34 116.25 119.81 1nqw h VAL 39 Ca -0.02 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1nqw h VAL 39 Cb 0.18 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1nqw h VAL 39 CO 0.03 0.20 0.00 0.54 0.02 0.00 0.00 177.57 178.36 1nqw n ARG 40 N -4.78 0.04 -0.13 1.57 1.74 -0.04 -1.11 116.66 113.94 1nqw n ARG 40 Ca -0.04 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.17 1nqw n ARG 40 Cb 0.16 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.37 1nqw n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nqw n HIS 41 N -1.48 0.35 0.00 -1.55 8.25 -0.79 -4.93 115.22 115.08 1nqw n HIS 41 Ca 0.07 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1nqw n HIS 41 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1nqw n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqw n GLY 42 N 1.11 0.37 3.80 -1.41 0.00 -0.27 -0.08 105.19 108.71 1nqw n GLY 42 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1nqw n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqw s GLY 43 N -1.34 2.20 -0.05 -0.02 0.00 -0.17 -3.66 107.32 104.29 1nqw s GLY 43 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 45.04 1nqw s GLY 43 CO 0.00 0.75 0.30 0.50 0.00 0.00 0.00 173.10 174.66 1nqw s ARG 44 N -3.91 3.73 0.52 2.90 0.52 -1.26 -4.12 118.95 117.33 1nqw s ARG 44 Ca 0.64 0.20 0.23 0.00 -0.52 0.00 0.00 55.73 56.28 1nqw s ARG 44 Cb -0.16 -3.21 1.41 0.00 0.52 0.00 0.00 34.95 33.52 1nqw s ARG 44 CO 0.34 0.73 2.12 1.05 0.02 0.00 0.00 175.30 179.55 1nqw h GLU 45 N 4.80 0.00 0.00 3.54 -0.00 -1.95 0.41 114.58 121.38 1nqw h GLU 45 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.83 1nqw h GLU 45 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 1nqw h GLU 45 CO 0.60 0.08 0.00 0.93 -0.00 0.00 0.00 179.01 180.62 1nqw h GLU 46 N 0.00 0.00 -0.58 1.06 3.07 -2.00 -1.94 114.58 114.19 1nqw h GLU 46 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nqw h GLU 46 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1nqw h GLU 46 CO 0.01 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.37 1nqw n ASP 47 N -2.68 3.25 -4.66 1.42 8.00 0.13 -4.83 116.55 117.19 1nqw n ASP 47 Ca 0.01 -2.10 -0.35 0.00 0.71 0.00 0.00 54.79 53.06 1nqw n ASP 47 Cb 0.24 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 1nqw n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqw s ILE 48 N -1.39 4.61 -0.20 0.53 1.01 -0.73 -1.44 121.20 123.58 1nqw s ILE 48 Ca 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 1nqw s ILE 48 Cb 0.21 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 1nqw s ILE 48 CO 0.24 0.53 -0.08 -0.89 0.00 0.00 0.00 174.94 174.73 1nqw s THR 49 N -0.17 3.09 -0.20 2.92 2.01 0.22 -4.98 115.64 118.53 1nqw s THR 49 Ca 0.06 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 1nqw s THR 49 Cb -0.12 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1nqw s THR 49 CO 0.02 0.46 0.01 -0.22 -0.69 0.00 0.00 174.62 174.20 1nqw s LEU 50 N 1.27 3.33 -0.14 4.42 2.96 -1.26 -0.07 118.68 129.19 1nqw s LEU 50 Ca 0.03 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1nqw s LEU 50 Cb -0.14 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1nqw s LEU 50 CO -0.04 0.07 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.20 1nqw s VAL 51 N 0.95 2.56 -0.08 1.68 1.01 0.41 -4.97 120.40 121.97 1nqw s VAL 51 Ca 0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1nqw s VAL 51 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1nqw s VAL 51 CO 0.02 0.53 0.14 -0.13 0.00 0.00 0.00 175.10 175.66 1nqw s ARG 52 N 0.66 3.38 0.09 2.72 0.52 -1.26 -0.40 118.95 124.68 1nqw s ARG 52 Ca -0.09 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1nqw s ARG 52 Cb -0.16 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 1nqw s ARG 52 CO 0.02 0.73 -0.02 0.14 0.02 0.00 0.00 175.30 176.19 1nqw s VAL 53 N -1.12 0.41 0.08 3.52 -7.23 -0.94 -4.95 120.40 110.17 1nqw s VAL 53 Ca 0.19 -1.89 -0.33 0.00 -1.81 0.00 0.00 61.98 58.14 1nqw s VAL 53 Cb -0.12 -1.74 -0.18 0.00 0.56 0.00 0.00 36.38 34.90 1nqw s VAL 53 CO 0.09 -0.80 1.61 -0.65 -0.31 0.00 0.00 175.10 175.04 1nqw h PRO 54 N 2.98 -0.91 -4.79 4.82 0.11 -1.94 -0.09 132.00 132.20 1nqw h PRO 54 Ca -0.35 0.06 -0.39 0.00 0.11 0.00 0.00 66.00 65.43 1nqw h PRO 54 Cb 1.17 0.21 -0.14 0.00 0.11 0.00 0.00 31.00 32.35 1nqw h PRO 54 CO 0.64 -0.60 -0.53 0.20 -0.21 0.00 0.00 178.00 177.50 1nqw s GLY 55 N -2.10 2.02 0.46 -0.55 0.00 -1.26 -1.40 107.32 104.48 1nqw s GLY 55 Ca -0.18 -1.94 0.16 0.00 0.00 0.00 0.00 44.72 42.76 1nqw s GLY 55 CO 0.62 -1.44 1.98 1.76 0.00 0.00 0.00 173.10 176.02 1nqw h SER 56 N 2.30 0.28 -0.95 1.64 0.02 -1.92 -0.78 113.55 114.15 1nqw h SER 56 Ca -0.29 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1nqw h SER 56 Cb 1.24 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.64 1nqw h SER 56 CO 0.42 0.17 0.58 -0.25 -1.14 0.00 0.00 176.83 176.60 1nqw h TRP 57 N 0.31 1.04 -0.00 3.45 2.91 -1.95 -1.45 115.95 120.26 1nqw h TRP 57 Ca 0.27 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.32 1nqw h TRP 57 Cb 0.65 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.98 1nqw h TRP 57 CO -0.00 0.38 -0.16 0.39 -1.03 0.00 0.00 178.44 178.02 1nqw n GLU 58 N -4.68 0.53 -0.05 2.65 4.71 -0.31 -4.26 120.64 119.23 1nqw n GLU 58 Ca 0.18 -0.20 -0.09 0.00 -0.01 0.00 0.00 57.16 57.04 1nqw n GLU 58 Cb 0.37 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.28 1nqw n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nqw h ILE 59 N 0.49 0.97 -0.12 -3.67 2.04 -1.14 -3.19 117.51 112.89 1nqw h ILE 59 Ca 0.00 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1nqw h ILE 59 Cb 0.41 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1nqw h ILE 59 CO 0.00 0.04 -0.08 -0.65 0.00 0.00 0.00 178.15 177.46 1nqw h PRO 60 N 0.20 -0.08 -0.82 2.37 0.11 -1.75 0.07 132.00 132.10 1nqw h PRO 60 Ca 0.09 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.26 1nqw h PRO 60 Cb 0.04 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.12 1nqw h PRO 60 CO -0.08 -0.05 0.54 -0.24 -0.21 0.00 0.00 178.00 177.96 1nqw h VAL 61 N -0.08 1.07 -0.21 3.15 3.04 -1.84 0.15 116.25 121.52 1nqw h VAL 61 Ca 0.07 -0.32 -0.14 0.00 -1.01 0.00 0.00 66.70 65.30 1nqw h VAL 61 Cb 0.19 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.52 1nqw h VAL 61 CO -0.17 0.17 -0.43 0.00 -1.01 0.00 0.00 177.57 176.13 1nqw h ALA 62 N 1.54 0.34 -0.37 3.17 0.00 -1.46 -3.02 119.26 119.46 1nqw h ALA 62 Ca 0.34 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nqw h ALA 62 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1nqw h ALA 62 CO -0.12 0.46 0.20 0.00 0.00 0.00 0.00 179.25 179.79 1nqw h ALA 63 N 0.61 1.65 -0.77 0.00 0.00 -0.25 -1.23 119.26 119.27 1nqw h ALA 63 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nqw h ALA 63 Cb 1.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1nqw h ALA 63 CO 0.09 0.29 0.42 0.78 0.00 0.00 0.00 179.25 180.84 1nqw h GLY 64 N 0.59 1.14 1.16 0.00 0.00 -0.61 0.71 103.07 106.05 1nqw h GLY 64 Ca 0.13 -0.51 -0.19 0.00 0.00 0.00 0.00 47.33 46.77 1nqw h GLY 64 CO -0.02 0.49 -0.54 0.83 0.00 0.00 0.00 176.54 177.29 1nqw h GLU 65 N 1.07 0.88 -0.34 4.80 4.39 -1.14 -2.94 114.58 121.31 1nqw h GLU 65 Ca 0.27 -0.56 -0.11 0.00 0.34 0.00 0.00 59.36 59.30 1nqw h GLU 65 Cb 0.03 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1nqw h GLU 65 CO -0.04 1.19 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.71 1nqw h LEU 66 N 0.68 0.78 -1.78 1.33 3.38 -0.96 -3.06 115.31 115.67 1nqw h LEU 66 Ca 0.02 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1nqw h LEU 66 Cb 1.15 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1nqw h LEU 66 CO 0.12 1.04 -0.15 0.00 0.09 0.00 0.00 178.44 179.54 1nqw h ALA 67 N 0.76 1.33 0.00 1.53 0.00 -0.92 -1.92 119.26 120.04 1nqw h ALA 67 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nqw h ALA 67 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1nqw h ALA 67 CO 0.06 0.19 0.00 0.54 0.00 0.00 0.00 179.25 180.04 1nqw n ARG 68 N -3.75 0.13 -2.21 0.00 1.74 -1.11 -4.80 116.66 106.67 1nqw n ARG 68 Ca -0.02 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 1nqw n ARG 68 Cb 0.26 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 1nqw n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nqw s LYS 69 N -3.08 4.30 0.47 5.56 1.02 -0.72 -4.91 119.74 122.38 1nqw s LYS 69 Ca 0.11 2.00 0.19 0.00 0.02 0.00 0.00 55.97 58.29 1nqw s LYS 69 Cb 0.14 -3.46 1.16 0.00 -0.52 0.00 0.00 37.83 35.15 1nqw s LYS 69 CO 0.51 -0.52 2.01 1.49 -0.92 0.00 0.00 175.35 177.92 1nqw h GLU 70 N 7.49 0.00 -0.83 1.68 4.81 -1.88 -2.38 114.58 123.47 1nqw h GLU 70 Ca -0.40 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.63 1nqw h GLU 70 Cb 1.19 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.45 1nqw h GLU 70 CO 0.89 0.17 0.26 -0.40 -0.73 0.00 0.00 179.01 179.20 1nqw n ASP 71 N -4.04 4.24 -4.24 1.04 5.75 -1.26 -4.79 116.55 113.24 1nqw n ASP 71 Ca -0.02 -3.02 -0.33 0.00 -0.01 0.00 0.00 54.79 51.40 1nqw n ASP 71 Cb 0.25 -0.71 -0.15 0.00 -1.03 0.00 0.00 41.12 39.48 1nqw n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nqw s ILE 72 N -2.54 2.61 -0.09 2.12 -1.09 -0.90 -4.78 121.20 116.53 1nqw s ILE 72 Ca 0.45 -0.78 0.15 0.00 -2.23 0.00 0.00 60.65 58.24 1nqw s ILE 72 Cb 0.36 -2.11 -0.09 0.00 -1.58 0.00 0.00 42.46 39.04 1nqw s ILE 72 CO 0.11 0.51 1.05 0.44 -1.23 0.00 0.00 174.94 175.82 1nqw h ASP 73 N 7.48 0.00 -4.59 3.58 3.32 -1.11 -3.47 116.42 121.63 1nqw h ASP 73 Ca -0.35 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.73 1nqw h ASP 73 Cb 1.18 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 1nqw h ASP 73 CO 0.58 0.65 0.39 0.00 -1.72 0.00 0.00 179.24 179.15 1nqw s ALA 74 N -2.87 -1.83 -0.05 3.45 0.00 -1.22 -4.51 121.76 114.73 1nqw s ALA 74 Ca -0.01 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.27 1nqw s ALA 74 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1nqw s ALA 74 CO 0.79 -0.46 -0.18 0.08 0.00 0.00 0.00 175.76 175.99 1nqw s VAL 75 N -1.85 2.71 -0.25 0.00 1.01 -0.48 -1.23 120.40 120.32 1nqw s VAL 75 Ca -0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1nqw s VAL 75 Cb -0.00 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1nqw s VAL 75 CO 0.00 0.58 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 1nqw s ILE 76 N -0.60 3.11 -0.21 2.22 1.01 0.11 -0.63 121.20 126.21 1nqw s ILE 76 Ca 0.09 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 1nqw s ILE 76 Cb -0.11 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1nqw s ILE 76 CO 0.01 0.25 0.47 0.00 0.00 0.00 0.00 174.94 175.67 1nqw s ALA 77 N 1.38 3.56 -0.10 9.38 0.00 -0.52 -1.39 121.76 134.07 1nqw s ALA 77 Ca 0.02 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.50 1nqw s ALA 77 Cb -0.16 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.21 1nqw s ALA 77 CO -0.04 -0.46 -0.15 0.42 0.00 0.00 0.00 175.76 175.54 1nqw s ILE 78 N 1.67 1.44 0.15 0.00 1.01 0.13 0.48 121.20 126.07 1nqw s ILE 78 Ca 0.22 -0.61 -0.25 0.00 0.00 0.00 0.00 60.65 60.01 1nqw s ILE 78 Cb -0.15 -1.32 0.06 0.00 0.01 0.00 0.00 42.46 41.06 1nqw s ILE 78 CO 0.09 0.43 0.88 -0.83 0.00 0.00 0.00 174.94 175.51 1nqw s GLY 79 N 0.96 -0.27 -0.17 6.18 0.00 -1.14 -2.11 107.32 110.77 1nqw s GLY 79 Ca -0.08 0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.83 1nqw s GLY 79 CO -0.01 0.05 0.02 0.14 0.00 0.00 0.00 173.10 173.29 1nqw s VAL 80 N -3.40 0.59 -0.19 1.40 1.01 -1.26 -0.84 120.40 117.72 1nqw s VAL 80 Ca 0.10 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1nqw s VAL 80 Cb -0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1nqw s VAL 80 CO 0.00 -0.07 0.02 -0.76 0.00 0.00 0.00 175.10 174.29 1nqw s LEU 81 N 1.84 3.47 -0.10 3.92 1.43 0.07 -4.69 118.68 124.63 1nqw s LEU 81 Ca 0.00 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1nqw s LEU 81 Cb -0.16 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1nqw s LEU 81 CO -0.07 0.12 -0.13 -0.63 0.23 0.00 0.00 176.35 175.87 1nqw s ILE 82 N 0.67 1.32 0.30 -0.59 1.01 -1.26 -0.76 121.20 121.90 1nqw s ILE 82 Ca 0.01 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 1nqw s ILE 82 Cb -0.14 -1.23 -0.11 0.00 0.01 0.00 0.00 42.46 40.99 1nqw s ILE 82 CO 0.02 0.41 1.51 -0.60 0.00 0.00 0.00 174.94 176.28 1nqw s ARG 83 N 1.03 4.17 0.00 2.79 3.52 -0.41 -4.97 118.95 125.09 1nqw s ARG 83 Ca -0.07 2.48 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 1nqw s ARG 83 Cb -0.15 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1nqw s ARG 83 CO -0.01 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.36 1nqw n GLY 84 N 1.72 2.86 0.12 8.12 0.00 -1.26 -4.81 105.19 111.94 1nqw n GLY 84 Ca 0.06 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.41 1nqw n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqw h ALA 85 N -0.42 0.60 -1.28 4.61 0.00 -2.01 -3.47 119.26 117.28 1nqw h ALA 85 Ca 0.00 -0.30 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 1nqw h ALA 85 Cb 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1nqw h ALA 85 CO 0.00 0.33 -0.39 0.95 0.00 0.00 0.00 179.25 180.14 1nqw s THR 86 N -3.19 2.30 -1.70 0.00 -4.23 -1.26 -5.00 115.64 102.56 1nqw s THR 86 Ca -0.00 -1.47 0.14 0.00 -1.18 0.00 0.00 61.69 59.17 1nqw s THR 86 Cb 0.09 -2.77 0.31 0.00 1.34 0.00 0.00 72.50 71.46 1nqw s THR 86 CO 0.78 0.00 1.30 -2.65 -0.54 0.00 0.00 174.62 173.52 1nqw n PRO 87 N -1.53 0.30 -0.29 3.99 -0.01 -1.26 -4.03 135.00 132.19 1nqw n PRO 87 Ca 0.01 0.09 0.09 0.00 -0.01 0.00 0.00 63.50 63.67 1nqw n PRO 87 Cb 0.63 -1.50 0.24 0.00 -0.01 0.00 0.00 33.50 32.86 1nqw n PRO 87 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 1nqw h HIS 88 N 0.00 0.62 -0.58 6.00 2.76 -1.97 -0.13 115.15 121.85 1nqw h HIS 88 Ca 0.00 0.04 0.12 0.00 -2.20 0.00 0.00 60.37 58.33 1nqw h HIS 88 Cb 0.07 -0.15 -0.10 0.00 1.55 0.00 0.00 27.41 28.78 1nqw h HIS 88 CO 0.00 0.05 0.00 0.35 -1.30 0.00 0.00 177.93 177.03 1nqw h PHE 89 N 0.47 -0.03 -0.25 5.26 3.57 -1.94 -1.56 116.94 122.46 1nqw h PHE 89 Ca 0.48 0.04 0.04 0.00 3.53 0.00 0.00 57.97 62.06 1nqw h PHE 89 Cb 0.79 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1nqw h PHE 89 CO -0.14 -0.15 0.03 -0.44 -2.23 0.00 0.00 178.31 175.39 1nqw h ASP 90 N 0.12 -0.02 -0.35 0.41 3.45 -1.32 0.11 116.42 118.82 1nqw h ASP 90 Ca 0.30 0.04 -0.12 0.00 0.43 0.00 0.00 57.03 57.68 1nqw h ASP 90 Cb 0.47 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 1nqw h ASP 90 CO -0.49 0.02 -0.22 1.88 -1.57 0.00 0.00 179.24 178.85 1nqw h TYR 91 N 0.12 0.97 -0.22 4.55 -1.99 -1.32 0.27 116.97 119.35 1nqw h TYR 91 Ca 0.12 -0.23 -0.11 0.00 2.00 0.00 0.00 58.73 60.51 1nqw h TYR 91 Cb 0.13 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.63 1nqw h TYR 91 CO -0.17 0.99 -0.29 0.82 -0.00 0.00 0.00 178.16 179.51 1nqw h ILE 92 N 0.74 1.32 -0.80 -2.88 2.04 -0.99 -2.06 117.51 114.88 1nqw h ILE 92 Ca 0.10 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1nqw h ILE 92 Cb 0.76 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1nqw h ILE 92 CO 0.06 0.46 0.47 0.00 0.00 0.00 0.00 178.15 179.14 1nqw h ALA 93 N 0.65 1.02 -0.51 1.87 0.00 -0.70 0.24 119.26 121.82 1nqw h ALA 93 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1nqw h ALA 93 Cb 0.86 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1nqw h ALA 93 CO 0.07 0.50 0.15 0.77 0.00 0.00 0.00 179.25 180.74 1nqw h SER 94 N 1.10 0.76 0.55 0.00 0.02 -0.86 -2.44 113.55 112.67 1nqw h SER 94 Ca 0.28 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.83 1nqw h SER 94 Cb -0.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1nqw h SER 94 CO -0.05 0.77 -0.86 -0.33 -1.14 0.00 0.00 176.83 175.22 1nqw h GLU 95 N 0.70 0.22 -0.30 3.45 4.39 -0.92 -1.84 114.58 120.28 1nqw h GLU 95 Ca 0.16 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1nqw h GLU 95 Cb 0.29 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1nqw h GLU 95 CO -0.00 0.95 -0.17 -0.24 -1.16 0.00 0.00 179.01 178.38 1nqw h VAL 96 N 0.12 1.30 -0.34 3.13 3.04 -0.88 -0.88 116.25 121.73 1nqw h VAL 96 Ca -0.04 -1.29 -0.06 0.00 -1.01 0.00 0.00 66.70 64.30 1nqw h VAL 96 Cb 1.48 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 1nqw h VAL 96 CO 0.13 0.41 -0.03 0.77 -1.01 0.00 0.00 177.57 177.84 1nqw h SER 97 N 0.39 0.62 -0.53 3.17 4.64 -1.43 -1.99 113.55 118.42 1nqw h SER 97 Ca 0.06 -0.33 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1nqw h SER 97 Cb 0.70 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1nqw h SER 97 CO 0.05 0.80 0.20 0.50 -0.87 0.00 0.00 176.83 177.51 1nqw h LYS 98 N 0.42 0.80 -0.19 4.77 3.64 -1.28 -1.66 116.57 123.07 1nqw h LYS 98 Ca 0.09 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1nqw h LYS 98 Cb 0.51 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1nqw h LYS 98 CO 0.02 0.71 0.10 0.78 -2.27 0.00 0.00 179.45 178.80 1nqw h GLY 99 N 0.72 0.29 0.98 5.01 0.00 -1.06 0.37 103.07 109.37 1nqw h GLY 99 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1nqw h GLY 99 CO -0.01 0.13 0.04 1.41 0.00 0.00 0.00 176.54 178.11 1nqw h LEU 100 N 0.20 0.08 -0.75 3.11 3.38 -1.27 0.34 115.31 120.40 1nqw h LEU 100 Ca 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1nqw h LEU 100 Cb 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1nqw h LEU 100 CO -0.01 0.08 0.41 0.00 0.09 0.00 0.00 178.44 179.01 1nqw h ALA 101 N 1.00 0.96 -0.65 1.53 0.00 -1.14 -1.38 119.26 119.57 1nqw h ALA 101 Ca 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1nqw h ALA 101 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1nqw h ALA 101 CO -0.00 0.47 0.23 -0.91 0.00 0.00 0.00 179.25 179.04 1nqw h ASN 102 N 1.03 0.93 -0.66 0.00 2.35 -0.70 -2.39 115.58 116.15 1nqw h ASN 102 Ca 0.26 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1nqw h ASN 102 Cb 0.03 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1nqw h ASN 102 CO -0.04 0.87 0.18 -0.07 -1.65 0.00 0.00 177.43 176.71 1nqw h LEU 103 N 0.93 0.98 -0.79 1.61 3.38 -0.55 -0.68 115.31 120.21 1nqw h LEU 103 Ca 0.21 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1nqw h LEU 103 Cb 0.25 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1nqw h LEU 103 CO -0.01 0.95 0.52 -1.28 0.09 0.00 0.00 178.44 178.71 1nqw h SER 104 N 0.97 0.88 -0.15 -0.43 0.87 -0.94 0.59 113.55 115.34 1nqw h SER 104 Ca 0.21 -0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.55 1nqw h SER 104 Cb 0.34 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1nqw h SER 104 CO -0.00 0.63 -0.68 -0.07 -0.53 0.00 0.00 176.83 176.18 1nqw h LEU 105 N 1.04 0.90 -0.43 2.23 3.38 -1.08 0.07 115.31 121.42 1nqw h LEU 105 Ca 0.30 -0.54 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 1nqw h LEU 105 Cb -0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1nqw h LEU 105 CO -0.08 1.33 -0.34 -0.08 0.09 0.00 0.00 178.44 179.37 1nqw h GLU 106 N 0.56 0.95 -0.02 1.13 4.81 -0.90 -3.04 114.58 118.07 1nqw h GLU 106 Ca -0.02 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1nqw h GLU 106 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1nqw h GLU 106 CO 0.14 1.14 -0.13 1.28 -0.73 0.00 0.00 179.01 180.70 1nqw n LEU 107 N -4.07 1.64 -3.87 1.64 4.77 0.18 -4.95 117.00 112.34 1nqw n LEU 107 Ca -0.02 -0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 55.17 1nqw n LEU 107 Cb 0.52 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1nqw n LEU 107 CO 0.48 0.29 -0.18 0.54 -1.33 0.00 0.00 177.39 177.18 1nqw n ARG 108 N 0.08 -3.02 -3.78 3.23 1.74 -0.03 -4.98 116.66 109.90 1nqw n ARG 108 Ca 0.15 0.43 -0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1nqw n ARG 108 Cb 0.40 -4.49 -0.11 0.00 -1.02 0.00 0.00 32.46 27.25 1nqw n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nqw s LYS 109 N -6.38 0.36 0.19 5.56 2.20 -0.94 -5.05 119.74 115.67 1nqw s LYS 109 Ca 0.10 0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 55.75 1nqw s LYS 109 Cb -0.04 0.17 -0.09 0.00 -1.51 0.00 0.00 37.83 36.36 1nqw s LYS 109 CO 0.88 -0.05 1.42 -2.14 -0.36 0.00 0.00 175.35 175.09 1nqw s PRO 110 N 0.01 4.30 -0.15 4.03 0.02 -1.26 -4.45 135.00 137.50 1nqw s PRO 110 Ca -0.01 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 1nqw s PRO 110 Cb -0.02 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.37 1nqw s PRO 110 CO 0.01 -0.42 -0.03 0.42 -0.33 0.00 0.00 177.00 176.65 1nqw s ILE 111 N 0.50 0.85 0.20 2.83 1.01 -1.26 -1.38 121.20 123.95 1nqw s ILE 111 Ca 0.62 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1nqw s ILE 111 Cb -0.40 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1nqw s ILE 111 CO 0.37 0.10 0.36 0.42 0.00 0.00 0.00 174.94 176.18 1nqw s THR 112 N 1.75 5.25 -0.49 2.92 -4.23 0.20 -4.91 115.64 116.12 1nqw s THR 112 Ca 0.01 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 59.82 1nqw s THR 112 Cb -0.15 -3.77 0.12 0.00 1.34 0.00 0.00 72.50 70.04 1nqw s THR 112 CO -0.07 -0.20 0.40 0.12 -0.54 0.00 0.00 174.62 174.33 1nqw s PHE 113 N -1.87 3.34 -0.34 3.99 5.36 -1.26 -1.44 117.98 125.76 1nqw s PHE 113 Ca 0.36 -1.57 0.06 0.00 -0.96 0.00 0.00 56.93 54.82 1nqw s PHE 113 Cb -0.11 -3.53 0.46 0.00 -0.34 0.00 0.00 43.02 39.50 1nqw s PHE 113 CO 0.29 -0.98 1.37 0.41 -1.46 0.00 0.00 175.22 174.85 1nqw n GLY 114 N 5.05 5.94 3.56 13.12 0.00 0.18 -4.72 105.19 128.32 1nqw n GLY 114 Ca -0.11 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.32 1nqw n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqw s VAL 115 N -4.25 5.14 0.18 1.61 1.01 -1.21 -2.89 120.40 119.97 1nqw s VAL 115 Ca 0.51 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1nqw s VAL 115 Cb 0.42 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 1nqw s VAL 115 CO 0.01 0.25 1.01 -0.63 0.00 0.00 0.00 175.10 175.74 1nqw s ILE 116 N 1.73 4.12 -0.55 2.22 1.01 -0.02 -4.92 121.20 124.79 1nqw s ILE 116 Ca 0.07 1.89 0.04 0.00 0.00 0.00 0.00 60.65 62.65 1nqw s ILE 116 Cb -0.16 -4.21 0.16 0.00 0.01 0.00 0.00 42.46 38.26 1nqw s ILE 116 CO 0.10 0.35 0.37 0.42 0.00 0.00 0.00 174.94 176.18 1nqw s THR 117 N -0.46 1.85 0.04 2.92 -4.23 -1.26 -0.75 115.64 113.76 1nqw s THR 117 Ca 0.46 -3.34 0.01 0.00 -1.18 0.00 0.00 61.69 57.64 1nqw s THR 117 Cb -0.26 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1nqw s THR 117 CO 0.33 -1.01 0.13 0.00 -0.54 0.00 0.00 174.62 173.52 1nqw s ALA 118 N -0.50 3.74 0.13 3.99 0.00 0.06 -5.01 121.76 124.17 1nqw s ALA 118 Ca 0.24 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.34 1nqw s ALA 118 Cb -0.10 -1.64 -0.13 0.00 0.00 0.00 0.00 23.12 21.26 1nqw s ALA 118 CO -0.11 0.76 1.30 -0.44 0.00 0.00 0.00 175.76 177.27 1nqw h ASP 119 N 3.50 0.16 -4.10 0.00 3.32 -1.93 -1.08 116.42 116.30 1nqw h ASP 119 Ca -0.47 -0.15 -0.32 0.00 0.02 0.00 0.00 57.03 56.10 1nqw h ASP 119 Cb 1.17 -0.05 -0.15 0.00 0.22 0.00 0.00 39.33 40.52 1nqw h ASP 119 CO 0.68 1.05 -0.69 0.42 -1.72 0.00 0.00 179.24 178.98 1nqw s THR 120 N -2.90 1.00 0.23 0.35 -4.23 -1.26 -4.01 115.64 104.81 1nqw s THR 120 Ca -0.01 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 1nqw s THR 120 Cb 0.10 -2.02 0.20 0.00 1.34 0.00 0.00 72.50 72.12 1nqw s THR 120 CO 0.83 -0.59 1.88 0.25 -0.54 0.00 0.00 174.62 176.45 1nqw h LEU 121 N 2.70 1.04 -0.48 4.79 5.85 -1.92 -2.23 115.31 125.06 1nqw h LEU 121 Ca -0.37 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1nqw h LEU 121 Cb 1.20 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1nqw h LEU 121 CO 0.64 0.79 0.30 -0.08 -0.34 0.00 0.00 178.44 179.75 1nqw h GLU 122 N 1.19 0.60 -0.84 1.25 4.81 -1.99 -0.56 114.58 119.04 1nqw h GLU 122 Ca 0.31 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1nqw h GLU 122 Cb -0.07 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 1nqw h GLU 122 CO -0.06 0.40 0.55 1.96 -0.73 0.00 0.00 179.01 181.13 1nqw h GLN 123 N 0.62 1.01 -0.46 1.92 4.20 -1.86 -1.01 115.11 119.54 1nqw h GLN 123 Ca 0.18 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 1nqw h GLN 123 Cb -0.04 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1nqw h GLN 123 CO -0.06 0.67 -0.25 0.00 -0.67 0.00 0.00 178.83 178.52 1nqw h ALA 124 N 1.51 0.65 -0.57 3.87 0.00 -0.64 -2.71 119.26 121.38 1nqw h ALA 124 Ca 0.33 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1nqw h ALA 124 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1nqw h ALA 124 CO -0.10 0.66 -0.08 0.82 0.00 0.00 0.00 179.25 180.55 1nqw h ILE 125 N 0.82 1.27 -0.90 0.00 2.04 -0.69 -2.25 117.51 117.79 1nqw h ILE 125 Ca 0.10 -1.25 0.12 0.00 1.00 0.00 0.00 64.86 64.83 1nqw h ILE 125 Cb 0.83 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 1nqw h ILE 125 CO 0.07 0.45 0.58 -0.33 0.00 0.00 0.00 178.15 178.92 1nqw h GLU 126 N 0.94 0.78 -0.14 2.37 5.08 -0.98 -2.46 114.58 120.16 1nqw h GLU 126 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nqw h GLU 126 Cb 0.66 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1nqw h GLU 126 CO 0.05 0.52 0.00 0.54 -1.00 0.00 0.00 179.01 179.11 1nqw n ARG 127 N -4.56 2.13 -2.41 2.33 1.74 -0.90 -0.40 116.66 114.60 1nqw n ARG 127 Ca 0.17 -1.68 -0.30 0.00 -0.77 0.00 0.00 57.85 55.27 1nqw n ARG 127 Cb 0.39 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1nqw n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqw n ALA 128 N 0.96 5.37 -0.24 7.54 0.00 -0.91 -1.35 120.51 131.88 1nqw n ALA 128 Ca 0.17 -4.33 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1nqw n ALA 128 Cb 0.50 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1nqw n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqw n GLY 129 N -0.46 0.86 0.00 0.00 0.00 0.10 -4.72 105.19 100.97 1nqw n GLY 129 Ca 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1nqw n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqw n THR 130 N -2.24 0.00 0.27 2.61 -2.24 -1.19 -4.91 114.28 106.59 1nqw n THR 130 Ca 0.00 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 1nqw n THR 130 Cb 0.00 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 68.85 1nqw n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1nqw h LYS 131 N 0.00 0.00 -0.39 -0.78 2.10 -1.78 0.16 116.57 115.88 1nqw h LYS 131 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1nqw h LYS 131 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1nqw h LYS 131 CO 0.00 0.03 0.04 0.72 -2.00 0.00 0.00 179.45 178.23 1nqw n HIS 132 N -3.13 1.37 -2.98 0.07 8.25 0.47 -5.05 115.22 114.22 1nqw n HIS 132 Ca 0.01 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 1nqw n HIS 132 Cb 0.34 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1nqw n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqw n GLY 133 N -0.37 -1.37 2.75 -1.41 0.00 0.04 -4.69 105.19 100.14 1nqw n GLY 133 Ca 0.27 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1nqw n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqw s ASN 134 N -4.00 3.08 0.49 1.61 3.84 -1.25 0.01 114.94 118.71 1nqw s ASN 134 Ca 0.00 -0.91 0.18 0.00 0.21 0.00 0.00 52.86 52.34 1nqw s ASN 134 Cb 0.00 -0.66 1.20 0.00 -0.55 0.00 0.00 41.25 41.24 1nqw s ASN 134 CO 0.00 -0.31 2.06 0.50 -2.79 0.00 0.00 177.10 176.56 1nqw h LYS 135 N 8.21 0.00 -0.57 0.43 3.64 -1.54 -1.98 116.57 124.76 1nqw h LYS 135 Ca -0.16 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1nqw h LYS 135 Cb 1.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1nqw h LYS 135 CO 0.35 0.12 0.12 0.78 -2.27 0.00 0.00 179.45 178.55 1nqw h GLY 136 N 0.44 0.99 0.99 5.01 0.00 -1.83 -1.37 103.07 107.31 1nqw h GLY 136 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1nqw h GLY 136 CO 0.02 0.60 0.24 -0.25 0.00 0.00 0.00 176.54 177.14 1nqw h TRP 137 N 0.82 0.48 -0.43 5.60 7.01 -1.53 -0.43 115.95 127.48 1nqw h TRP 137 Ca 0.18 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1nqw h TRP 137 Cb 0.38 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 1nqw h TRP 137 CO 0.03 0.32 0.24 1.49 -2.79 0.00 0.00 178.44 177.72 1nqw h GLU 138 N 0.50 0.59 -0.08 2.65 4.81 -1.23 0.24 114.58 122.06 1nqw h GLU 138 Ca 0.14 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 1nqw h GLU 138 Cb -0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1nqw h GLU 138 CO -0.03 0.47 -0.54 0.00 -0.73 0.00 0.00 179.01 178.19 1nqw h ALA 139 N 1.09 0.95 -0.06 2.92 0.00 -1.11 -1.42 119.26 121.63 1nqw h ALA 139 Ca 0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1nqw h ALA 139 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nqw h ALA 139 CO -0.02 0.68 0.01 0.00 0.00 0.00 0.00 179.25 179.91 1nqw h ALA 140 N 1.27 0.08 -0.89 0.00 0.00 -0.64 -1.66 119.26 117.41 1nqw h ALA 140 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1nqw h ALA 140 Cb 1.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1nqw h ALA 140 CO 0.08 -0.27 0.58 1.25 0.00 0.00 0.00 179.25 180.90 1nqw h LEU 141 N -0.16 0.93 -0.70 0.00 5.85 -0.78 -0.40 115.31 120.03 1nqw h LEU 141 Ca 0.02 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1nqw h LEU 141 Cb 0.30 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1nqw h LEU 141 CO 0.00 0.62 0.16 -1.28 -0.34 0.00 0.00 178.44 177.59 1nqw h SER 142 N 1.07 1.08 -0.31 1.25 0.87 -1.08 -2.31 113.55 114.11 1nqw h SER 142 Ca 0.37 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1nqw h SER 142 Cb 0.11 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1nqw h SER 142 CO -0.13 1.04 -0.05 0.00 -0.53 0.00 0.00 176.83 177.17 1nqw h ALA 143 N 1.08 1.14 -0.22 6.23 0.00 -0.24 0.27 119.26 127.51 1nqw h ALA 143 Ca 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nqw h ALA 143 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1nqw h ALA 143 CO 0.01 0.55 0.09 0.82 0.00 0.00 0.00 179.25 180.71 1nqw h ILE 144 N 0.65 1.16 -0.27 0.00 2.04 -0.88 -0.17 117.51 120.04 1nqw h ILE 144 Ca 0.12 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1nqw h ILE 144 Cb 0.48 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1nqw h ILE 144 CO 0.02 0.16 0.10 -0.08 0.00 0.00 0.00 178.15 178.35 1nqw h GLU 145 N 0.20 0.41 -0.59 2.37 4.81 -1.05 -1.77 114.58 118.97 1nqw h GLU 145 Ca 0.07 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1nqw h GLU 145 Cb 0.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1nqw h GLU 145 CO -0.01 0.46 0.02 0.52 -0.73 0.00 0.00 179.01 179.28 1nqw h MET 146 N 0.28 1.03 -0.56 1.92 2.86 -0.86 -0.67 114.93 118.93 1nqw h MET 146 Ca 0.09 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1nqw h MET 146 Cb 0.21 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1nqw h MET 146 CO -0.01 1.00 0.35 0.00 1.06 0.00 0.00 176.91 179.32 1nqw h ALA 147 N 0.99 0.71 -0.42 6.32 0.00 -0.91 0.59 119.26 126.54 1nqw h ALA 147 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nqw h ALA 147 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1nqw h ALA 147 CO 0.03 0.18 0.21 -0.91 0.00 0.00 0.00 179.25 178.75 1nqw h ASN 148 N 0.75 0.55 -0.56 0.00 -0.26 -1.01 -2.60 115.58 112.45 1nqw h ASN 148 Ca 0.20 -0.12 0.03 0.00 -0.56 0.00 0.00 56.30 55.85 1nqw h ASN 148 Cb -0.04 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.04 1nqw h ASN 148 CO -0.04 0.51 0.33 0.25 -1.06 0.00 0.00 177.43 177.42 1nqw h LEU 149 N 0.54 0.53 -1.02 1.61 5.85 -0.86 -1.55 115.31 120.41 1nqw h LEU 149 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1nqw h LEU 149 Cb 0.11 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1nqw h LEU 149 CO -0.02 0.37 0.00 0.49 -0.34 0.00 0.00 178.44 178.94 1nqw n PHE 150 N -4.78 0.82 0.22 1.25 3.01 0.17 -1.23 117.46 116.92 1nqw n PHE 150 Ca 0.05 0.36 0.06 0.00 1.01 0.00 0.00 57.45 58.93 1nqw n PHE 150 Cb 0.09 -1.08 0.50 0.00 -0.01 0.00 0.00 39.48 38.99 1nqw n PHE 150 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1nqw h LYS 151 N 0.00 0.00 0.00 -1.08 1.57 -0.91 -2.27 116.57 113.88 1nqw h LYS 151 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1nqw h LYS 151 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1nqw h LYS 151 CO 0.00 0.25 -1.58 -1.13 -0.57 0.00 0.00 179.45 176.42 1nqw n SER 152 N -3.98 2.50 0.05 0.86 3.41 -0.78 -4.73 113.62 110.96 1nqw n SER 152 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.41 1nqw n SER 152 Cb 0.32 1.20 -0.14 0.00 -0.26 0.00 0.00 64.21 65.32 1nqw n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nqw h LEU 153 N 0.00 0.39 0.00 1.04 5.85 -1.16 -3.53 115.31 117.90 1nqw h LEU 153 Ca -0.11 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1nqw h LEU 153 Cb 0.95 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1nqw h LEU 153 CO 0.01 1.53 0.00 -1.14 -0.34 0.00 0.00 178.44 178.49