#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 4.55 -0.11 2.12 -0.21 -1.26 -5.04 119.66 119.71 1nqw s GLN 2 Ca 0.00 1.30 0.02 0.00 0.02 0.00 0.00 55.36 56.70 1nqw s GLN 2 Cb 0.00 -3.44 0.01 0.00 1.00 0.00 0.00 33.01 30.58 1nqw s GLN 2 CO 0.00 0.02 -0.18 0.42 -2.12 0.00 0.00 175.29 173.43 1nqw s ILE 3 N 0.80 1.68 -0.09 1.08 1.01 -1.26 -5.11 121.20 119.30 1nqw s ILE 3 Ca 0.48 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1nqw s ILE 3 Cb -0.21 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1nqw s ILE 3 CO 0.26 0.48 -0.19 -0.31 0.00 0.00 0.00 174.94 175.18 1nqw s TYR 4 N 0.81 2.63 0.14 3.97 1.51 -1.26 -5.12 117.35 120.04 1nqw s TYR 4 Ca -0.09 -0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 55.13 1nqw s TYR 4 Cb -0.16 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1nqw s TYR 4 CO 0.01 -0.20 0.40 -1.83 -1.11 0.00 0.00 175.55 172.81 1nqw s GLU 5 N 0.04 1.13 -0.11 -0.62 -1.05 -1.26 -5.11 118.70 111.72 1nqw s GLU 5 Ca -0.07 -0.83 -0.05 0.00 -0.15 0.00 0.00 54.97 53.87 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 -0.45 0.07 0.20 0.95 0.00 0.00 175.26 176.09 1nqw s GLY 6 N -2.85 2.00 0.77 -3.83 0.00 -1.26 -4.43 107.32 97.72 1nqw s GLY 6 Ca 0.06 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 1nqw s GLY 6 CO -0.08 -0.41 1.07 -1.59 0.00 0.00 0.00 173.10 172.09 1nqw s LYS 7 N -0.81 1.55 -0.09 2.90 -2.85 -1.26 -4.87 119.74 114.31 1nqw s LYS 7 Ca 0.13 -0.76 0.14 0.00 -1.00 0.00 0.00 55.97 54.48 1nqw s LYS 7 Cb -0.12 -2.19 0.45 0.00 -2.06 0.00 0.00 37.83 33.92 1nqw s LYS 7 CO 0.03 -1.62 1.37 1.28 0.10 0.00 0.00 175.35 176.51 1nqw n LEU 8 N -3.06 3.56 -4.73 2.77 4.77 -1.26 -4.12 117.00 114.92 1nqw n LEU 8 Ca 0.13 -2.48 -0.39 0.00 -0.03 0.00 0.00 56.01 53.24 1nqw n LEU 8 Cb 0.60 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1nqw n LEU 8 CO 0.45 0.72 0.30 0.42 -1.33 0.00 0.00 177.39 177.95 1nqw s THR 9 N -1.87 5.04 -1.10 -5.08 -4.23 -1.26 -4.86 115.64 102.27 1nqw s THR 9 Ca 0.34 1.25 0.17 0.00 -1.18 0.00 0.00 61.69 62.27 1nqw s THR 9 Cb 0.24 -3.94 0.61 0.00 1.34 0.00 0.00 72.50 70.75 1nqw s THR 9 CO 0.14 0.33 1.52 0.00 -0.54 0.00 0.00 174.62 176.07 1nqw n ALA 10 N 3.38 2.80 -1.66 3.99 0.00 0.88 -4.99 120.51 124.90 1nqw n ALA 10 Ca -0.05 -1.55 -0.50 0.00 0.00 0.00 0.00 53.44 51.34 1nqw n ALA 10 Cb 0.51 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 0.90 1.79 -0.58 0.00 2.13 -1.24 -1.25 120.64 122.38 1nqw n GLU 11 Ca 0.22 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1nqw n GLU 11 Cb 0.76 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 3.60 1.59 3.83 8.31 0.00 -1.26 -4.99 105.19 116.27 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 3.99 -0.10 0.99 1.43 -0.38 -5.05 118.68 119.56 1nqw s LEU 13 Ca 0.00 1.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 1nqw s LEU 13 Cb 0.00 -4.32 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1nqw s LEU 13 CO 0.00 -0.29 -0.17 -0.13 0.23 0.00 0.00 176.35 175.99 1nqw s ARG 14 N -3.10 2.36 0.03 1.70 0.52 -1.26 -4.62 118.95 114.58 1nqw s ARG 14 Ca 0.58 -0.63 0.09 0.00 -0.52 0.00 0.00 55.73 55.26 1nqw s ARG 14 Cb -0.10 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 1nqw s ARG 14 CO 0.15 0.01 -0.26 -0.06 0.02 0.00 0.00 175.30 175.16 1nqw s PHE 15 N 0.77 2.31 -0.17 -0.53 0.40 -0.54 -0.51 117.98 119.71 1nqw s PHE 15 Ca -0.11 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 55.72 1nqw s PHE 15 Cb -0.16 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1nqw s PHE 15 CO 0.02 0.09 0.10 0.20 0.70 0.00 0.00 175.22 176.33 1nqw s GLY 16 N -1.12 2.01 -0.12 4.36 0.00 -0.28 -0.57 107.32 111.60 1nqw s GLY 16 Ca 0.11 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.16 1nqw s GLY 16 CO 0.01 -0.04 -0.21 -0.42 0.00 0.00 0.00 173.10 172.44 1nqw s ILE 17 N -0.01 2.23 -0.22 0.90 1.01 0.91 0.17 121.20 126.19 1nqw s ILE 17 Ca 0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1nqw s ILE 17 Cb -0.12 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1nqw s ILE 17 CO 0.00 0.55 -0.09 -0.69 0.00 0.00 0.00 174.94 174.71 1nqw s VAL 18 N 0.53 2.90 -0.09 2.92 1.01 -0.38 -0.44 120.40 126.85 1nqw s VAL 18 Ca -0.13 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1nqw s VAL 18 Cb -0.17 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1nqw s VAL 18 CO 0.05 0.41 -0.15 0.00 0.00 0.00 0.00 175.10 175.41 1nqw s ALA 19 N 1.39 1.54 0.62 5.51 0.00 0.45 -0.76 121.76 130.51 1nqw s ALA 19 Ca 0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1nqw s ALA 19 Cb -0.14 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1nqw s ALA 19 CO -0.06 0.04 0.94 -1.54 0.00 0.00 0.00 175.76 175.13 1nqw s SER 20 N 0.80 5.43 -0.03 0.00 1.04 -0.93 -2.07 113.70 117.93 1nqw s SER 20 Ca -0.11 0.70 0.20 0.00 0.48 0.00 0.00 55.95 57.23 1nqw s SER 20 Cb -0.16 -1.61 -0.32 0.00 0.10 0.00 0.00 66.02 64.04 1nqw s SER 20 CO 0.02 -1.19 0.44 0.54 0.98 0.00 0.00 173.24 174.02 1nqw n ARG 21 N -2.69 0.62 -1.77 4.02 1.74 -0.03 -4.79 116.66 113.77 1nqw n ARG 21 Ca 0.05 -0.18 -0.41 0.00 -0.77 0.00 0.00 57.85 56.54 1nqw n ARG 21 Cb 0.58 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.22 2.95 -3.38 -1.55 7.35 -0.58 -1.57 117.46 118.46 1nqw n PHE 22 Ca -0.04 0.37 -0.24 0.00 -0.76 0.00 0.00 57.45 56.78 1nqw n PHE 22 Cb 0.55 -2.56 0.05 0.00 0.35 0.00 0.00 39.48 37.87 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 1.07 -5.98 0.23 -2.13 3.02 -1.26 -4.51 115.26 105.69 1nqw n ASN 23 Ca 0.04 -0.45 0.08 0.00 -0.03 0.00 0.00 54.58 54.22 1nqw n ASN 23 Cb 0.38 -4.78 0.63 0.00 -0.61 0.00 0.00 39.78 35.40 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 -2.00 0.03 -0.16 3.10 2.07 -1.60 0.06 115.15 116.66 1nqw h HIS 24 Ca -0.55 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.02 1nqw h HIS 24 Cb 1.37 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 31.33 1nqw h HIS 24 CO 0.53 0.02 0.14 0.00 -3.07 0.00 0.00 177.93 175.55 1nqw h ALA 25 N 1.97 1.97 0.03 6.11 0.00 -1.90 0.42 119.26 127.87 1nqw h ALA 25 Ca 0.02 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.55 1nqw h ALA 25 Cb 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1nqw h ALA 25 CO -0.00 -0.22 -2.17 1.28 0.00 0.00 0.00 179.25 178.13 1nqw n LEU 26 N -4.17 2.49 -0.30 0.00 4.77 -0.10 -4.22 117.00 115.46 1nqw n LEU 26 Ca 0.01 0.15 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 1nqw n LEU 26 Cb 0.27 -0.96 0.19 0.00 -2.33 0.00 0.00 43.42 40.59 1nqw n LEU 26 CO 0.32 0.73 1.13 0.58 -1.33 0.00 0.00 177.39 178.82 1nqw h VAL 27 N -0.36 0.84 -0.51 4.08 2.07 -0.87 -1.41 116.25 120.09 1nqw h VAL 27 Ca -0.53 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 66.80 1nqw h VAL 27 Cb 1.78 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1nqw h VAL 27 CO -0.13 0.13 0.34 0.44 0.02 0.00 0.00 177.57 178.37 1nqw h ASP 28 N 0.73 0.38 0.06 0.57 3.32 -0.36 0.97 116.42 122.09 1nqw h ASP 28 Ca 0.43 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.31 1nqw h ASP 28 Cb 0.49 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1nqw h ASP 28 CO -0.29 0.25 -0.61 0.03 -1.72 0.00 0.00 179.24 176.90 1nqw h ARG 29 N 0.44 0.55 -0.61 3.56 2.47 -1.44 -1.92 114.38 117.43 1nqw h ARG 29 Ca 0.22 -0.38 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 1nqw h ARG 29 Cb 0.33 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1nqw h ARG 29 CO -0.06 0.99 0.09 -0.07 0.56 0.00 0.00 179.97 181.48 1nqw h LEU 30 N 0.41 0.94 -0.60 3.04 3.38 -0.56 -1.42 115.31 120.51 1nqw h LEU 30 Ca -0.01 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1nqw h LEU 30 Cb 1.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1nqw h LEU 30 CO 0.11 0.95 -0.01 0.58 0.09 0.00 0.00 178.44 180.17 1nqw h VAL 31 N 0.93 1.27 -0.84 1.22 2.07 -0.80 -1.26 116.25 118.83 1nqw h VAL 31 Ca 0.19 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.55 1nqw h VAL 31 Cb 0.42 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1nqw h VAL 31 CO 0.01 0.42 0.56 -0.33 0.02 0.00 0.00 177.57 178.25 1nqw h GLU 32 N 0.96 1.11 -0.29 1.57 5.08 -1.03 -2.20 114.58 119.78 1nqw h GLU 32 Ca 0.17 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1nqw h GLU 32 Cb 0.57 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nqw h GLU 32 CO 0.03 0.73 -0.07 0.78 -1.00 0.00 0.00 179.01 179.48 1nqw h GLY 33 N 1.14 0.62 0.98 -3.84 0.00 -0.92 -1.55 103.07 99.50 1nqw h GLY 33 Ca 0.31 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1nqw h GLY 33 CO -0.07 0.47 0.21 0.00 0.00 0.00 0.00 176.54 177.15 1nqw h ALA 34 N 0.78 0.43 -0.24 3.60 0.00 -1.08 -0.81 119.26 121.94 1nqw h ALA 34 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nqw h ALA 34 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1nqw h ALA 34 CO 0.03 -0.07 0.08 0.82 0.00 0.00 0.00 179.25 180.10 1nqw h ILE 35 N 0.44 1.19 -0.81 0.00 2.04 -1.37 -1.84 117.51 117.16 1nqw h ILE 35 Ca 0.12 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1nqw h ILE 35 Cb 0.00 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1nqw h ILE 35 CO -0.02 0.20 0.51 -0.78 0.00 0.00 0.00 178.15 178.06 1nqw h ASP 36 N 0.22 0.84 -0.39 1.72 3.58 -1.18 0.81 116.42 122.01 1nqw h ASP 36 Ca 0.08 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1nqw h ASP 36 Cb 0.23 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1nqw h ASP 36 CO -0.00 0.57 0.24 0.00 -2.88 0.00 0.00 179.24 177.17 1nqw h ILE 38 N 0.52 1.02 -0.18 0.00 2.04 -0.57 -2.29 117.51 118.05 1nqw h ILE 38 Ca 0.14 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1nqw h ILE 38 Cb -0.02 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1nqw h ILE 38 CO -0.03 0.06 0.04 0.58 0.00 0.00 0.00 178.15 178.80 1nqw h VAL 39 N -0.17 1.21 0.00 1.67 2.07 -0.69 -0.32 116.25 120.02 1nqw h VAL 39 Ca -0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1nqw h VAL 39 Cb 0.15 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1nqw h VAL 39 CO 0.01 0.21 0.00 0.54 0.02 0.00 0.00 177.57 178.35 1nqw n ARG 40 N -4.78 0.10 -0.14 1.57 1.74 -0.08 -1.07 116.66 113.99 1nqw n ARG 40 Ca -0.04 0.06 0.09 0.00 -0.77 0.00 0.00 57.85 57.19 1nqw n ARG 40 Cb 0.17 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.44 0.37 0.00 -1.55 8.25 -0.86 -4.93 115.22 115.05 1nqw n HIS 41 Ca 0.08 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1nqw n HIS 41 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 1.15 0.39 3.80 -1.41 0.00 -0.23 -0.09 105.19 108.80 1nqw n GLY 42 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.38 2.26 -0.03 -0.02 0.00 -0.16 -3.68 107.32 104.31 1nqw s GLY 43 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.08 1nqw s GLY 43 CO 0.00 0.80 0.33 0.50 0.00 0.00 0.00 173.10 174.73 1nqw s ARG 44 N -3.81 3.76 0.50 2.90 0.52 -1.26 -4.12 118.95 117.44 1nqw s ARG 44 Ca 0.65 0.22 0.19 0.00 -0.52 0.00 0.00 55.73 56.27 1nqw s ARG 44 Cb -0.17 -3.19 1.27 0.00 0.52 0.00 0.00 34.95 33.38 1nqw s ARG 44 CO 0.32 0.71 2.09 1.05 0.02 0.00 0.00 175.30 179.49 1nqw h GLU 45 N 4.69 0.00 0.00 3.54 -0.00 -1.95 0.21 114.58 121.06 1nqw h GLU 45 Ca -0.52 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.84 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 0.61 0.09 0.00 0.93 -0.00 0.00 0.00 179.01 180.64 1nqw h GLU 46 N 0.00 0.00 -0.58 1.06 3.07 -2.00 -1.78 114.58 114.35 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 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 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 -2.84 3.29 -4.64 1.42 8.00 0.72 -4.82 116.55 117.68 1nqw n ASP 47 Ca 0.00 -2.17 -0.35 0.00 0.71 0.00 0.00 54.79 52.99 1nqw n ASP 47 Cb 0.24 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.53 4.52 -0.21 0.53 1.01 -0.67 -1.46 121.20 123.37 1nqw s ILE 48 Ca 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.84 1nqw s ILE 48 Cb 0.22 -2.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 1nqw s ILE 48 CO 0.21 0.52 -0.07 -0.89 0.00 0.00 0.00 174.94 174.72 1nqw s THR 49 N -0.11 3.17 -0.20 2.92 2.01 0.27 -4.98 115.64 118.71 1nqw s THR 49 Ca 0.05 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1nqw s THR 49 Cb -0.12 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 1nqw s THR 49 CO 0.02 0.44 0.03 -0.22 -0.69 0.00 0.00 174.62 174.20 1nqw s LEU 50 N 1.41 3.43 -0.14 4.42 2.96 -1.26 -0.07 118.68 129.44 1nqw s LEU 50 Ca 0.05 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1nqw s LEU 50 Cb -0.14 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 1nqw s LEU 50 CO -0.04 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.21 1nqw s VAL 51 N 0.91 2.62 -0.07 1.68 1.01 0.42 -4.97 120.40 122.00 1nqw s VAL 51 Ca 0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1nqw s VAL 51 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1nqw s VAL 51 CO 0.02 0.52 0.14 -0.13 0.00 0.00 0.00 175.10 175.66 1nqw s ARG 52 N 0.66 3.37 0.08 2.72 0.52 -1.26 -0.41 118.95 124.63 1nqw s ARG 52 Ca -0.08 -0.25 -0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1nqw s ARG 52 Cb -0.16 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 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 -1.13 0.32 0.08 3.52 -7.23 -0.88 -4.95 120.40 110.12 1nqw s VAL 53 Ca 0.20 -1.86 -0.32 0.00 -1.81 0.00 0.00 61.98 58.18 1nqw s VAL 53 Cb -0.12 -1.69 -0.18 0.00 0.56 0.00 0.00 36.38 34.95 1nqw s VAL 53 CO 0.10 -0.84 1.63 -0.65 -0.31 0.00 0.00 175.10 175.03 1nqw h PRO 54 N 3.03 -0.79 -4.78 4.82 0.11 -1.94 -0.03 132.00 132.41 1nqw h PRO 54 Ca -0.35 0.05 -0.40 0.00 0.11 0.00 0.00 66.00 65.42 1nqw h PRO 54 Cb 1.16 0.18 -0.13 0.00 0.11 0.00 0.00 31.00 32.32 1nqw h PRO 54 CO 0.64 -0.53 -0.51 0.20 -0.21 0.00 0.00 178.00 177.59 1nqw s GLY 55 N -2.10 2.06 0.44 -0.55 0.00 -1.26 -1.53 107.32 104.38 1nqw s GLY 55 Ca -0.17 -1.95 0.15 0.00 0.00 0.00 0.00 44.72 42.75 1nqw s GLY 55 CO 0.62 -1.43 1.98 1.76 0.00 0.00 0.00 173.10 176.03 1nqw h SER 56 N 2.26 0.33 -0.92 1.64 0.02 -1.92 -0.63 113.55 114.33 1nqw h SER 56 Ca -0.28 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1nqw h SER 56 Cb 1.24 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 1nqw h SER 56 CO 0.41 0.19 0.54 -0.25 -1.14 0.00 0.00 176.83 176.58 1nqw h TRP 57 N 0.36 0.96 -0.00 3.45 2.91 -1.96 -1.50 115.95 120.17 1nqw h TRP 57 Ca 0.28 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.33 1nqw h TRP 57 Cb 0.60 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1nqw h TRP 57 CO -0.00 0.30 -0.15 0.39 -1.03 0.00 0.00 178.44 177.96 1nqw n GLU 58 N -4.75 0.30 -0.09 2.65 4.71 -0.25 -4.28 120.64 118.93 1nqw n GLU 58 Ca 0.18 -0.09 -0.08 0.00 -0.01 0.00 0.00 57.16 57.17 1nqw n GLU 58 Cb 0.41 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.34 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 0.22 0.97 -0.09 -3.67 2.04 -1.15 -3.18 117.51 112.65 1nqw h ILE 59 Ca 0.00 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1nqw h ILE 59 Cb 0.43 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1nqw h ILE 59 CO 0.00 0.06 -0.03 -0.65 0.00 0.00 0.00 178.15 177.52 1nqw h PRO 60 N 0.31 -0.02 -0.69 2.37 0.11 -1.76 0.19 132.00 132.51 1nqw h PRO 60 Ca 0.13 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.28 1nqw h PRO 60 Cb 0.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.14 1nqw h PRO 60 CO -0.10 -0.01 0.45 -0.24 -0.21 0.00 0.00 178.00 177.89 1nqw h VAL 61 N -0.02 1.09 -0.18 3.15 3.04 -1.84 0.14 116.25 121.62 1nqw h VAL 61 Ca 0.05 -0.28 -0.16 0.00 -1.01 0.00 0.00 66.70 65.29 1nqw h VAL 61 Cb 0.09 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 1nqw h VAL 61 CO -0.10 0.15 -0.53 0.00 -1.01 0.00 0.00 177.57 176.08 1nqw h ALA 62 N 1.60 0.31 -0.27 3.17 0.00 -1.47 -3.05 119.26 119.56 1nqw h ALA 62 Ca 0.28 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1nqw h ALA 62 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nqw h ALA 62 CO -0.08 0.51 0.08 0.00 0.00 0.00 0.00 179.25 179.76 1nqw h ALA 63 N 0.57 1.64 -0.71 0.00 0.00 -0.29 -1.36 119.26 119.12 1nqw h ALA 63 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1nqw h ALA 63 Cb 1.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1nqw h ALA 63 CO 0.11 0.28 0.36 0.78 0.00 0.00 0.00 179.25 180.78 1nqw h GLY 64 N 0.56 1.07 1.16 0.00 0.00 -0.65 0.91 103.07 106.13 1nqw h GLY 64 Ca 0.09 -0.50 -0.20 0.00 0.00 0.00 0.00 47.33 46.72 1nqw h GLY 64 CO -0.01 0.48 -0.61 0.83 0.00 0.00 0.00 176.54 177.23 1nqw h GLU 65 N 1.00 0.86 -0.35 4.80 4.39 -1.18 -2.95 114.58 121.16 1nqw h GLU 65 Ca 0.25 -0.59 -0.10 0.00 0.34 0.00 0.00 59.36 59.26 1nqw h GLU 65 Cb 0.08 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1nqw h GLU 65 CO -0.03 1.22 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.78 1nqw h LEU 66 N 0.64 0.76 -1.81 1.33 3.38 -1.00 -3.00 115.31 115.61 1nqw h LEU 66 Ca -0.00 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1nqw h LEU 66 Cb 1.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1nqw h LEU 66 CO 0.13 1.00 -0.15 0.00 0.09 0.00 0.00 178.44 179.52 1nqw h ALA 67 N 0.78 1.42 0.00 1.53 0.00 -0.88 -1.72 119.26 120.40 1nqw h ALA 67 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nqw h ALA 67 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1nqw h ALA 67 CO 0.05 0.19 0.00 0.54 0.00 0.00 0.00 179.25 180.03 1nqw n ARG 68 N -3.88 0.10 -2.18 0.00 1.74 -1.12 -4.79 116.66 106.53 1nqw n ARG 68 Ca -0.02 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 1nqw n ARG 68 Cb 0.24 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 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 -3.06 4.30 0.45 5.56 1.02 -0.65 -4.90 119.74 122.46 1nqw s LYS 69 Ca 0.11 2.03 0.17 0.00 0.02 0.00 0.00 55.97 58.30 1nqw s LYS 69 Cb 0.15 -3.42 1.06 0.00 -0.52 0.00 0.00 37.83 35.10 1nqw s LYS 69 CO 0.49 -0.51 1.99 1.49 -0.92 0.00 0.00 175.35 177.89 1nqw h GLU 70 N 7.37 0.00 -0.84 1.68 4.81 -1.88 -2.50 114.58 123.22 1nqw h GLU 70 Ca -0.40 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.60 1nqw h GLU 70 Cb 1.20 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.44 1nqw h GLU 70 CO 0.88 0.20 0.28 -0.40 -0.73 0.00 0.00 179.01 179.24 1nqw n ASP 71 N -4.14 4.22 -4.27 1.04 5.75 -1.26 -4.80 116.55 113.10 1nqw n ASP 71 Ca -0.02 -3.05 -0.34 0.00 -0.01 0.00 0.00 54.79 51.37 1nqw n ASP 71 Cb 0.27 -0.72 -0.15 0.00 -1.03 0.00 0.00 41.12 39.49 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 -2.57 2.78 -0.14 2.12 -1.09 -0.94 -4.78 121.20 116.57 1nqw s ILE 72 Ca 0.46 -0.72 0.16 0.00 -2.23 0.00 0.00 60.65 58.32 1nqw s ILE 72 Cb 0.37 -2.19 -0.05 0.00 -1.58 0.00 0.00 42.46 39.00 1nqw s ILE 72 CO 0.11 0.50 1.08 0.44 -1.23 0.00 0.00 174.94 175.84 1nqw h ASP 73 N 7.51 0.00 -4.56 3.58 3.32 -1.11 -3.47 116.42 121.68 1nqw h ASP 73 Ca -0.36 0.00 0.04 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 0.59 0.52 0.40 0.00 -1.72 0.00 0.00 179.24 179.03 1nqw s ALA 74 N -2.96 -1.83 -0.05 3.45 0.00 -1.23 -4.50 121.76 114.64 1nqw s ALA 74 Ca -0.00 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.31 1nqw s ALA 74 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1nqw s ALA 74 CO 0.78 -0.44 -0.18 0.08 0.00 0.00 0.00 175.76 176.00 1nqw s VAL 75 N -1.76 2.74 -0.24 0.00 1.01 -0.50 -1.13 120.40 120.52 1nqw s VAL 75 Ca -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1nqw s VAL 75 Cb -0.00 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1nqw s VAL 75 CO 0.01 0.58 -0.04 -0.63 0.00 0.00 0.00 175.10 175.02 1nqw s ILE 76 N -0.62 3.15 -0.24 2.22 1.01 0.13 -0.68 121.20 126.17 1nqw s ILE 76 Ca 0.09 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1nqw s ILE 76 Cb -0.11 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1nqw s ILE 76 CO 0.00 0.26 0.45 0.00 0.00 0.00 0.00 174.94 175.66 1nqw s ALA 77 N 1.40 3.57 -0.11 9.38 0.00 -0.58 -1.25 121.76 134.16 1nqw s ALA 77 Ca 0.02 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1nqw s ALA 77 Cb -0.16 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1nqw s ALA 77 CO -0.03 -0.57 -0.17 0.42 0.00 0.00 0.00 175.76 175.41 1nqw s ILE 78 N 1.90 1.63 0.15 0.00 1.01 0.06 0.26 121.20 126.21 1nqw s ILE 78 Ca 0.20 -0.72 -0.25 0.00 0.00 0.00 0.00 60.65 59.88 1nqw s ILE 78 Cb -0.15 -1.47 0.06 0.00 0.01 0.00 0.00 42.46 40.91 1nqw s ILE 78 CO 0.09 0.47 0.86 -0.83 0.00 0.00 0.00 174.94 175.53 1nqw s GLY 79 N 0.92 -0.28 -0.18 6.18 0.00 -1.16 -2.20 107.32 110.60 1nqw s GLY 79 Ca -0.07 0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.84 1nqw s GLY 79 CO -0.01 0.06 0.02 0.14 0.00 0.00 0.00 173.10 173.30 1nqw s VAL 80 N -3.44 0.63 -0.19 1.40 1.01 -1.26 -0.85 120.40 117.70 1nqw s VAL 80 Ca 0.10 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1nqw s VAL 80 Cb -0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1nqw s VAL 80 CO -0.00 -0.11 0.04 -0.76 0.00 0.00 0.00 175.10 174.27 1nqw s LEU 81 N 1.82 3.60 -0.10 3.92 1.43 0.13 -4.68 118.68 124.80 1nqw s LEU 81 Ca -0.00 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1nqw s LEU 81 Cb -0.16 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.16 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 1.34 0.31 -0.59 1.01 -1.26 -0.78 121.20 121.90 1nqw s ILE 82 Ca 0.02 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1nqw s ILE 82 Cb -0.13 -1.25 -0.11 0.00 0.01 0.00 0.00 42.46 40.98 1nqw s ILE 82 CO 0.02 0.41 1.56 -0.60 0.00 0.00 0.00 174.94 176.32 1nqw s ARG 83 N 1.04 4.13 0.00 2.79 3.52 -0.45 -4.97 118.95 125.02 1nqw s ARG 83 Ca -0.06 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 1nqw s ARG 83 Cb -0.15 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1nqw s ARG 83 CO -0.02 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.29 1nqw n GLY 84 N 1.74 3.01 0.12 8.12 0.00 -1.26 -4.82 105.19 112.10 1nqw n GLY 84 Ca 0.06 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.33 0.60 -1.00 4.61 0.00 -2.01 -3.47 119.26 117.67 1nqw h ALA 85 Ca 0.00 -0.25 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 1nqw h ALA 85 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1nqw h ALA 85 CO 0.00 0.27 -0.36 0.95 0.00 0.00 0.00 179.25 180.12 1nqw s THR 86 N -3.21 2.03 -1.83 0.00 -4.23 -1.26 -5.01 115.64 102.13 1nqw s THR 86 Ca -0.00 -1.49 0.14 0.00 -1.18 0.00 0.00 61.69 59.16 1nqw s THR 86 Cb 0.09 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.76 1nqw s THR 86 CO 0.78 0.00 1.29 -0.81 -0.54 0.00 0.00 174.62 175.34 1nqw n PRO 87 N -1.61 0.37 -0.27 3.99 -0.04 -1.26 -4.02 135.00 132.16 1nqw n PRO 87 Ca -0.00 0.05 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1nqw n PRO 87 Cb 0.64 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.75 1nqw n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1nqw h HIS 88 N 0.00 0.79 -0.58 0.54 2.76 -1.97 -1.12 115.15 115.57 1nqw h HIS 88 Ca 0.00 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.32 1nqw h HIS 88 Cb 0.04 -0.24 -0.10 0.00 1.55 0.00 0.00 27.41 28.66 1nqw h HIS 88 CO 0.00 0.32 0.01 0.35 -1.30 0.00 0.00 177.93 177.32 1nqw h PHE 89 N 0.74 -0.02 -0.23 5.26 3.57 -1.94 -1.49 116.94 122.84 1nqw h PHE 89 Ca 0.37 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.94 1nqw h PHE 89 Cb 0.34 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1nqw h PHE 89 CO -0.07 -0.14 0.06 -0.44 -2.23 0.00 0.00 178.31 175.49 1nqw h ASP 90 N 0.13 0.05 -0.39 0.41 3.45 -1.50 0.71 116.42 119.29 1nqw h ASP 90 Ca 0.30 0.03 -0.11 0.00 0.43 0.00 0.00 57.03 57.67 1nqw h ASP 90 Cb 0.47 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.26 1nqw h ASP 90 CO -0.48 0.06 -0.18 1.88 -1.57 0.00 0.00 179.24 178.95 1nqw h TYR 91 N 0.16 0.98 -0.19 4.55 -1.99 -1.31 0.48 116.97 119.65 1nqw h TYR 91 Ca 0.10 -0.21 -0.09 0.00 2.00 0.00 0.00 58.73 60.53 1nqw h TYR 91 Cb 0.08 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 1nqw h TYR 91 CO -0.14 0.97 -0.22 0.82 -0.00 0.00 0.00 178.16 179.60 1nqw h ILE 92 N 0.76 1.33 -0.89 -2.88 2.04 -1.03 -1.91 117.51 114.94 1nqw h ILE 92 Ca 0.11 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.59 1nqw h ILE 92 Cb 0.71 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1nqw h ILE 92 CO 0.05 0.42 0.59 0.00 0.00 0.00 0.00 178.15 179.21 1nqw h ALA 93 N 0.63 1.13 -0.60 1.87 0.00 -0.76 0.30 119.26 121.83 1nqw h ALA 93 Ca 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1nqw h ALA 93 Cb 0.77 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1nqw h ALA 93 CO 0.05 0.52 0.18 0.77 0.00 0.00 0.00 179.25 180.77 1nqw h SER 94 N 1.20 0.88 0.73 0.00 0.02 -0.79 -2.48 113.55 113.11 1nqw h SER 94 Ca 0.33 -0.21 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 1nqw h SER 94 Cb -0.13 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.16 1nqw h SER 94 CO -0.07 0.86 -0.89 -0.33 -1.14 0.00 0.00 176.83 175.26 1nqw h GLU 95 N 0.85 0.10 -0.27 3.45 4.39 -0.83 -1.86 114.58 120.41 1nqw h GLU 95 Ca 0.19 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 1nqw h GLU 95 Cb 0.31 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1nqw h GLU 95 CO -0.00 0.92 -0.24 -0.24 -1.16 0.00 0.00 179.01 178.29 1nqw h VAL 96 N 0.05 1.31 -0.29 3.13 3.04 -0.86 -1.18 116.25 121.44 1nqw h VAL 96 Ca -0.03 -1.39 -0.06 0.00 -1.01 0.00 0.00 66.70 64.21 1nqw h VAL 96 Cb 1.54 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 1nqw h VAL 96 CO 0.13 0.44 -0.04 0.77 -1.01 0.00 0.00 177.57 177.86 1nqw h SER 97 N 0.36 0.54 -0.57 3.17 4.64 -1.45 -2.12 113.55 118.13 1nqw h SER 97 Ca 0.05 -0.34 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 1nqw h SER 97 Cb 0.79 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1nqw h SER 97 CO 0.06 0.76 0.20 0.50 -0.87 0.00 0.00 176.83 177.48 1nqw h LYS 98 N 0.32 0.87 -0.22 4.77 3.64 -1.31 -1.68 116.57 122.96 1nqw h LYS 98 Ca 0.08 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1nqw h LYS 98 Cb 0.50 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1nqw h LYS 98 CO 0.02 0.77 0.11 0.78 -2.27 0.00 0.00 179.45 178.87 1nqw h GLY 99 N 0.79 0.34 0.97 5.01 0.00 -1.14 0.26 103.07 109.31 1nqw h GLY 99 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1nqw h GLY 99 CO -0.01 0.16 0.12 1.41 0.00 0.00 0.00 176.54 178.21 1nqw h LEU 100 N 0.24 0.23 -0.67 3.11 3.38 -1.29 0.05 115.31 120.36 1nqw h LEU 100 Ca 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1nqw h LEU 100 Cb 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1nqw h LEU 100 CO -0.01 0.20 0.32 0.00 0.09 0.00 0.00 178.44 179.04 1nqw h ALA 101 N 1.03 0.86 -0.69 1.53 0.00 -1.16 -1.33 119.26 119.50 1nqw h ALA 101 Ca 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1nqw h ALA 101 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1nqw h ALA 101 CO -0.01 0.42 0.30 -0.91 0.00 0.00 0.00 179.25 179.05 1nqw h ASN 102 N 0.92 0.93 -0.58 0.00 2.35 -0.73 -2.36 115.58 116.10 1nqw h ASN 102 Ca 0.23 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1nqw h ASN 102 Cb 0.12 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1nqw h ASN 102 CO -0.03 0.83 0.15 -0.07 -1.65 0.00 0.00 177.43 176.66 1nqw h LEU 103 N 0.97 0.88 -0.80 1.61 3.38 -0.60 -0.56 115.31 120.19 1nqw h LEU 103 Ca 0.23 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1nqw h LEU 103 Cb 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1nqw h LEU 103 CO -0.02 0.88 0.51 -1.28 0.09 0.00 0.00 178.44 178.62 1nqw h SER 104 N 0.84 0.82 -0.20 -0.43 0.87 -0.92 0.66 113.55 115.20 1nqw h SER 104 Ca 0.18 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.54 1nqw h SER 104 Cb 0.34 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1nqw h SER 104 CO 0.00 0.56 -0.67 -0.07 -0.53 0.00 0.00 176.83 176.12 1nqw h LEU 105 N 0.97 0.95 -0.42 2.23 3.38 -1.02 -0.04 115.31 121.35 1nqw h LEU 105 Ca 0.33 -0.57 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 1nqw h LEU 105 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1nqw h LEU 105 CO -0.13 1.37 -0.27 -0.08 0.09 0.00 0.00 178.44 179.42 1nqw h GLU 106 N 0.59 0.93 -0.01 1.13 4.81 -0.88 -3.04 114.58 118.11 1nqw h GLU 106 Ca -0.02 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1nqw h GLU 106 Cb 1.29 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1nqw h GLU 106 CO 0.14 1.10 -0.14 1.28 -0.73 0.00 0.00 179.01 180.66 1nqw n LEU 107 N -4.13 1.57 -3.88 1.64 4.77 0.20 -4.95 117.00 112.22 1nqw n LEU 107 Ca -0.01 -0.50 -0.27 0.00 -0.03 0.00 0.00 56.01 55.20 1nqw n LEU 107 Cb 0.48 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1nqw n LEU 107 CO 0.47 0.27 -0.19 0.54 -1.33 0.00 0.00 177.39 177.15 1nqw n ARG 108 N 0.01 -2.92 -3.79 3.23 1.74 -0.07 -4.98 116.66 109.88 1nqw n ARG 108 Ca 0.15 0.42 -0.13 0.00 -0.77 0.00 0.00 57.85 57.53 1nqw n ARG 108 Cb 0.39 -4.44 -0.11 0.00 -1.02 0.00 0.00 32.46 27.28 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 -6.42 0.33 0.20 5.56 2.20 -0.93 -5.05 119.74 115.63 1nqw s LYS 109 Ca 0.11 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.72 1nqw s LYS 109 Cb -0.04 0.16 -0.09 0.00 -1.51 0.00 0.00 37.83 36.34 1nqw s LYS 109 CO 0.88 -0.05 1.38 -2.14 -0.36 0.00 0.00 175.35 175.07 1nqw s PRO 110 N 0.00 4.33 -0.15 4.03 0.02 -1.26 -4.45 135.00 137.52 1nqw s PRO 110 Ca -0.01 2.16 -0.01 0.00 0.02 0.00 0.00 61.00 63.15 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 -0.36 -0.01 0.42 -0.33 0.00 0.00 177.00 176.73 1nqw s ILE 111 N 0.28 0.72 0.21 2.83 1.01 -1.26 -1.41 121.20 123.58 1nqw s ILE 111 Ca 0.60 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1nqw s ILE 111 Cb -0.39 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1nqw s ILE 111 CO 0.38 0.06 0.38 0.42 0.00 0.00 0.00 174.94 176.18 1nqw s THR 112 N 1.80 5.23 -0.51 2.92 -4.23 0.15 -4.91 115.64 116.09 1nqw s THR 112 Ca 0.01 -0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 59.86 1nqw s THR 112 Cb -0.15 -3.77 0.13 0.00 1.34 0.00 0.00 72.50 70.05 1nqw s THR 112 CO -0.07 -0.21 0.43 0.12 -0.54 0.00 0.00 174.62 174.34 1nqw s PHE 113 N -1.90 3.34 -0.34 3.99 5.36 -1.26 -1.53 117.98 125.64 1nqw s PHE 113 Ca 0.37 -1.57 0.07 0.00 -0.96 0.00 0.00 56.93 54.83 1nqw s PHE 113 Cb -0.11 -3.66 0.47 0.00 -0.34 0.00 0.00 43.02 39.38 1nqw s PHE 113 CO 0.30 -1.01 1.40 0.41 -1.46 0.00 0.00 175.22 174.86 1nqw n GLY 114 N 5.08 5.74 3.58 13.12 0.00 0.14 -4.73 105.19 128.13 1nqw n GLY 114 Ca -0.11 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 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 -4.08 5.28 0.15 1.61 1.01 -1.21 -3.01 120.40 120.15 1nqw s VAL 115 Ca 0.50 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 1nqw s VAL 115 Cb 0.42 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 1nqw s VAL 115 CO 0.01 0.19 0.99 -0.63 0.00 0.00 0.00 175.10 175.66 1nqw s ILE 116 N 1.82 4.27 -0.55 2.22 1.01 -0.03 -4.92 121.20 125.02 1nqw s ILE 116 Ca 0.09 1.98 0.04 0.00 0.00 0.00 0.00 60.65 62.75 1nqw s ILE 116 Cb -0.16 -4.26 0.16 0.00 0.01 0.00 0.00 42.46 38.20 1nqw s ILE 116 CO 0.11 0.35 0.37 0.42 0.00 0.00 0.00 174.94 176.18 1nqw s THR 117 N -0.31 1.91 0.05 2.92 -4.23 -1.26 -0.69 115.64 114.03 1nqw s THR 117 Ca 0.46 -3.36 0.01 0.00 -1.18 0.00 0.00 61.69 57.62 1nqw s THR 117 Cb -0.25 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1nqw s THR 117 CO 0.31 -1.00 0.12 0.00 -0.54 0.00 0.00 174.62 173.51 1nqw s ALA 118 N -0.52 3.69 0.15 3.99 0.00 0.04 -5.01 121.76 124.10 1nqw s ALA 118 Ca 0.24 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1nqw s ALA 118 Cb -0.10 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.36 1nqw s ALA 118 CO -0.11 0.76 1.33 -0.44 0.00 0.00 0.00 175.76 177.30 1nqw h ASP 119 N 3.44 0.18 -4.15 0.00 3.32 -1.93 -1.18 116.42 116.09 1nqw h ASP 119 Ca -0.47 -0.16 -0.32 0.00 0.02 0.00 0.00 57.03 56.10 1nqw h ASP 119 Cb 1.17 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.52 1nqw h ASP 119 CO 0.68 1.02 -0.69 0.42 -1.72 0.00 0.00 179.24 178.95 1nqw s THR 120 N -3.01 0.96 0.24 0.35 -4.23 -1.26 -4.00 115.64 104.70 1nqw s THR 120 Ca -0.02 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.40 1nqw s THR 120 Cb 0.10 -2.01 0.23 0.00 1.34 0.00 0.00 72.50 72.15 1nqw s THR 120 CO 0.83 -0.60 1.90 0.25 -0.54 0.00 0.00 174.62 176.46 1nqw h LEU 121 N 2.71 1.10 -0.43 4.79 5.85 -1.92 -2.14 115.31 125.27 1nqw h LEU 121 Ca -0.37 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1nqw h LEU 121 Cb 1.20 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1nqw h LEU 121 CO 0.64 0.82 0.27 -0.08 -0.34 0.00 0.00 178.44 179.75 1nqw h GLU 122 N 1.27 0.57 -0.90 1.25 4.81 -1.99 -0.68 114.58 118.91 1nqw h GLU 122 Ca 0.34 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1nqw h GLU 122 Cb -0.10 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.11 1nqw h GLU 122 CO -0.07 0.41 0.59 1.96 -0.73 0.00 0.00 179.01 181.17 1nqw h GLN 123 N 0.57 1.09 -0.52 1.92 4.20 -1.86 -1.11 115.11 119.40 1nqw h GLN 123 Ca 0.15 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1nqw h GLN 123 Cb -0.03 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1nqw h GLN 123 CO -0.03 0.72 -0.15 0.00 -0.67 0.00 0.00 178.83 178.70 1nqw h ALA 124 N 1.48 0.71 -0.53 3.87 0.00 -0.58 -2.64 119.26 121.57 1nqw h ALA 124 Ca 0.36 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1nqw h ALA 124 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1nqw h ALA 124 CO -0.11 0.66 -0.14 0.82 0.00 0.00 0.00 179.25 180.48 1nqw h ILE 125 N 0.88 1.27 -0.89 0.00 2.04 -0.69 -2.33 117.51 117.78 1nqw h ILE 125 Ca 0.13 -1.30 0.11 0.00 1.00 0.00 0.00 64.86 64.80 1nqw h ILE 125 Cb 0.72 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 1nqw h ILE 125 CO 0.06 0.46 0.58 -0.33 0.00 0.00 0.00 178.15 178.91 1nqw h GLU 126 N 0.90 0.81 -0.18 2.37 5.08 -0.99 -2.50 114.58 120.07 1nqw h GLU 126 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1nqw h GLU 126 Cb 0.71 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nqw h GLU 126 CO 0.05 0.54 0.00 0.54 -1.00 0.00 0.00 179.01 179.14 1nqw n ARG 127 N -4.55 2.15 -2.45 2.33 1.74 -0.92 -0.46 116.66 114.50 1nqw n ARG 127 Ca 0.16 -1.71 -0.30 0.00 -0.77 0.00 0.00 57.85 55.23 1nqw n ARG 127 Cb 0.35 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.99 5.32 -0.29 7.54 0.00 -0.94 -1.34 120.51 131.79 1nqw n ALA 128 Ca 0.17 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.25 1nqw n ALA 128 Cb 0.50 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.44 0.83 0.00 0.00 0.00 0.13 -4.73 105.19 100.98 1nqw n GLY 129 Ca 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.29 0.00 0.29 2.61 -2.24 -1.19 -4.91 114.28 106.55 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 0.55 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.40 -0.78 2.10 -1.77 0.03 116.57 115.75 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 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 1nqw h LYS 131 CO 0.00 0.00 0.04 0.72 -2.00 0.00 0.00 179.45 178.21 1nqw n HIS 132 N -2.98 1.37 -3.15 0.07 8.25 0.39 -5.05 115.22 114.13 1nqw n HIS 132 Ca 0.02 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.46 1nqw n HIS 132 Cb 0.35 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.39 -1.31 2.74 -1.41 0.00 -0.00 -4.69 105.19 100.11 1nqw n GLY 133 Ca 0.27 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 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 3.02 0.49 1.61 3.84 -1.25 0.20 114.94 118.85 1nqw s ASN 134 Ca 0.00 -0.89 0.19 0.00 0.21 0.00 0.00 52.86 52.36 1nqw s ASN 134 Cb 0.00 -0.62 1.24 0.00 -0.55 0.00 0.00 41.25 41.31 1nqw s ASN 134 CO 0.00 -0.31 2.08 0.50 -2.79 0.00 0.00 177.10 176.57 1nqw h LYS 135 N 8.23 0.00 -0.53 0.43 3.64 -1.54 -1.78 116.57 125.02 1nqw h LYS 135 Ca -0.16 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1nqw h LYS 135 Cb 1.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1nqw h LYS 135 CO 0.35 0.10 0.07 0.78 -2.27 0.00 0.00 179.45 178.49 1nqw h GLY 136 N 0.38 0.96 0.99 5.01 0.00 -1.82 -1.72 103.07 106.86 1nqw h GLY 136 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1nqw h GLY 136 CO 0.01 0.60 0.30 -0.25 0.00 0.00 0.00 176.54 177.21 1nqw h TRP 137 N 0.78 0.64 -0.49 5.60 7.01 -1.50 -0.22 115.95 127.76 1nqw h TRP 137 Ca 0.16 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1nqw h TRP 137 Cb 0.42 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 1nqw h TRP 137 CO 0.03 0.43 0.27 1.49 -2.79 0.00 0.00 178.44 177.87 1nqw h GLU 138 N 0.65 0.68 -0.02 2.65 4.81 -1.25 0.63 114.58 122.74 1nqw h GLU 138 Ca 0.18 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 1nqw h GLU 138 Cb -0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1nqw h GLU 138 CO -0.03 0.54 -0.68 0.00 -0.73 0.00 0.00 179.01 178.10 1nqw h ALA 139 N 1.11 0.83 -0.07 2.92 0.00 -1.15 -1.35 119.26 121.56 1nqw h ALA 139 Ca 0.17 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1nqw h ALA 139 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nqw h ALA 139 CO -0.03 0.82 -0.01 0.00 0.00 0.00 0.00 179.25 180.04 1nqw h ALA 140 N 1.25 0.09 -0.86 0.00 0.00 -0.54 -1.60 119.26 117.60 1nqw h ALA 140 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1nqw h ALA 140 Cb 1.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1nqw h ALA 140 CO 0.09 -0.21 0.56 1.25 0.00 0.00 0.00 179.25 180.94 1nqw h LEU 141 N -0.19 0.88 -0.71 0.00 5.85 -0.75 -0.66 115.31 119.73 1nqw h LEU 141 Ca 0.02 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1nqw h LEU 141 Cb 0.38 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1nqw h LEU 141 CO 0.00 0.58 0.20 -1.28 -0.34 0.00 0.00 178.44 177.61 1nqw h SER 142 N 1.01 1.06 -0.21 1.25 0.87 -1.06 -2.31 113.55 114.15 1nqw h SER 142 Ca 0.36 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1nqw h SER 142 Cb 0.13 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1nqw h SER 142 CO -0.12 1.00 -0.09 0.00 -0.53 0.00 0.00 176.83 177.09 1nqw h ALA 143 N 1.10 1.20 -0.27 6.23 0.00 -0.15 0.64 119.26 128.01 1nqw h ALA 143 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1nqw h ALA 143 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1nqw h ALA 143 CO -0.00 0.51 0.04 0.82 0.00 0.00 0.00 179.25 180.62 1nqw h ILE 144 N 0.54 1.23 -0.20 0.00 2.04 -1.02 -0.20 117.51 119.89 1nqw h ILE 144 Ca 0.10 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1nqw h ILE 144 Cb 0.48 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1nqw h ILE 144 CO 0.03 0.25 0.08 -0.08 0.00 0.00 0.00 178.15 178.43 1nqw h GLU 145 N 0.26 0.30 -0.57 2.37 4.81 -0.97 -1.67 114.58 119.11 1nqw h GLU 145 Ca 0.08 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1nqw h GLU 145 Cb 0.34 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1nqw h GLU 145 CO 0.01 0.36 0.10 0.52 -0.73 0.00 0.00 179.01 179.26 1nqw h MET 146 N 0.18 0.94 -0.60 1.92 2.86 -0.81 -0.69 114.93 118.73 1nqw h MET 146 Ca 0.07 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1nqw h MET 146 Cb 0.17 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1nqw h MET 146 CO -0.01 0.90 0.36 0.00 1.06 0.00 0.00 176.91 179.22 1nqw h ALA 147 N 1.01 0.76 -0.37 6.32 0.00 -0.92 0.88 119.26 126.94 1nqw h ALA 147 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nqw h ALA 147 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1nqw h ALA 147 CO 0.01 0.25 0.19 -0.91 0.00 0.00 0.00 179.25 178.79 1nqw h ASN 148 N 0.81 0.48 -0.60 0.00 -0.26 -0.97 -2.56 115.58 112.47 1nqw h ASN 148 Ca 0.21 -0.11 0.05 0.00 -0.56 0.00 0.00 56.30 55.90 1nqw h ASN 148 Cb -0.01 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.08 1nqw h ASN 148 CO -0.04 0.45 0.33 0.25 -1.06 0.00 0.00 177.43 177.36 1nqw h LEU 149 N 0.47 0.48 -0.45 1.61 5.85 -0.81 -1.28 115.31 121.18 1nqw h LEU 149 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1nqw h LEU 149 Cb 0.09 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1nqw h LEU 149 CO -0.02 0.32 0.00 0.49 -0.34 0.00 0.00 178.44 178.89 1nqw n PHE 150 N -4.82 0.43 0.21 1.25 3.01 0.27 -1.23 117.46 116.58 1nqw n PHE 150 Ca 0.07 0.18 0.06 0.00 1.01 0.00 0.00 57.45 58.76 1nqw n PHE 150 Cb 0.15 -0.79 0.45 0.00 -0.01 0.00 0.00 39.48 39.29 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 -0.84 -2.61 116.57 113.62 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 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1nqw h LYS 151 CO 0.00 0.30 -1.61 -1.13 -0.57 0.00 0.00 179.45 176.44 1nqw n SER 152 N -3.92 2.37 0.05 0.86 3.41 -0.80 -4.73 113.62 110.87 1nqw n SER 152 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.41 1nqw n SER 152 Cb 0.37 1.23 -0.14 0.00 -0.26 0.00 0.00 64.21 65.41 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 0.43 0.00 1.04 5.85 -1.18 -3.53 115.31 117.92 1nqw h LEU 153 Ca -0.11 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 57.93 1nqw h LEU 153 Cb 0.96 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1nqw h LEU 153 CO 0.01 1.58 0.00 -1.14 -0.34 0.00 0.00 178.44 178.55