#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqw n PRO 5 N 0.00 1.29 -3.89 3.23 -0.04 -1.26 -4.87 135.00 129.45 2nqw n PRO 5 Ca 0.00 -0.39 -0.09 0.00 -0.04 0.00 0.00 63.50 62.98 2nqw n PRO 5 Cb 0.00 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 2nqw n PRO 5 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2nqw s PHE 6 N -1.78 0.19 -0.03 0.54 -0.12 -1.26 -1.26 117.98 114.26 2nqw s PHE 6 Ca 0.07 -0.60 0.06 0.00 -0.05 0.00 0.00 56.93 56.42 2nqw s PHE 6 Cb 0.04 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 2nqw s PHE 6 CO 0.04 -0.49 -0.21 0.15 -0.05 0.00 0.00 175.22 174.66 2nqw s LYS 7 N -3.60 2.26 -0.33 1.99 1.02 0.14 -4.97 119.74 116.25 2nqw s LYS 7 Ca 0.03 -0.84 -0.15 0.00 0.02 0.00 0.00 55.97 55.03 2nqw s LYS 7 Cb 0.04 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 2nqw s LYS 7 CO -0.09 0.58 0.34 0.08 -0.92 0.00 0.00 175.35 175.34 2nqw s VAL 8 N -0.69 5.19 0.13 3.17 1.01 -1.26 -1.93 120.40 126.01 2nqw s VAL 8 Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 2nqw s VAL 8 Cb -0.10 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2nqw s VAL 8 CO 0.00 -0.03 0.33 -0.76 0.00 0.00 0.00 175.10 174.64 2nqw s LEU 9 N 1.98 4.29 0.59 3.92 1.43 -0.53 -4.99 118.68 125.37 2nqw s LEU 9 Ca 0.11 0.48 0.33 0.00 -1.03 0.00 0.00 54.13 54.03 2nqw s LEU 9 Cb -0.16 -3.21 1.87 0.00 0.03 0.00 0.00 46.19 44.72 2nqw s LEU 9 CO 0.11 0.07 2.23 1.23 0.23 0.00 0.00 176.35 180.22 2nqw h GLY 10 N 2.79 0.00 -0.33 -3.19 0.00 -1.98 -1.56 103.07 98.80 2nqw h GLY 10 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2nqw h GLY 10 CO 0.73 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.36 2nqw n ASP 11 N -3.54 0.71 0.00 0.19 5.75 -1.26 -4.87 116.55 113.54 2nqw n ASP 11 Ca -0.02 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 2nqw n ASP 11 Cb 0.13 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2nqw n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nqw n GLY 12 N 0.79 0.85 4.00 6.12 0.00 -0.59 -4.79 105.19 111.57 2nqw n GLY 12 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2nqw n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nqw s SER 13 N -3.00 4.71 0.05 1.61 1.04 -1.25 -3.94 113.70 112.91 2nqw s SER 13 Ca 0.00 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.97 2nqw s SER 13 Cb 0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2nqw s SER 13 CO 0.00 -1.60 -0.08 -0.31 0.98 0.00 0.00 173.24 172.23 2nqw s TYR 14 N -2.93 0.75 -0.15 5.02 2.02 -0.22 -1.45 117.35 120.39 2nqw s TYR 14 Ca 0.64 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2nqw s TYR 14 Cb -0.06 -0.44 -0.00 0.00 -0.40 0.00 0.00 41.96 41.05 2nqw s TYR 14 CO 0.42 -0.07 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.66 2nqw s LEU 15 N -1.75 2.46 0.08 -1.29 1.43 -0.81 -0.96 118.68 117.83 2nqw s LEU 15 Ca -0.07 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 2nqw s LEU 15 Cb -0.08 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2nqw s LEU 15 CO 0.00 0.09 -0.24 -0.36 0.23 0.00 0.00 176.35 176.07 2nqw s PHE 16 N 0.78 2.38 0.37 0.29 0.08 0.36 -0.68 117.98 121.56 2nqw s PHE 16 Ca -0.06 -0.36 -0.28 0.00 0.12 0.00 0.00 56.93 56.35 2nqw s PHE 16 Cb -0.15 -1.35 -0.11 0.00 -0.57 0.00 0.00 43.02 40.84 2nqw s PHE 16 CO 0.00 0.25 1.48 0.39 -0.10 0.00 0.00 175.22 177.24 2nqw n GLU 17 N 1.32 2.62 0.14 0.44 1.02 -0.39 -0.82 120.64 124.98 2nqw n GLU 17 Ca -0.17 0.92 0.04 0.00 -0.02 0.00 0.00 57.16 57.93 2nqw n GLU 17 Cb 0.52 -2.64 0.44 0.00 -0.02 0.00 0.00 31.44 29.75 2nqw n GLU 17 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2nqw h GLY 18 N 3.09 0.20 1.32 0.62 0.00 -1.47 -2.00 103.07 104.84 2nqw h GLY 18 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2nqw h GLY 18 CO 0.65 0.11 0.00 0.58 0.00 0.00 0.00 176.54 177.88 2nqw n LYS 19 N -4.33 0.54 -1.78 4.80 2.85 -1.26 -1.31 118.16 117.66 2nqw n LYS 19 Ca -0.01 0.03 -0.42 0.00 -1.05 0.00 0.00 58.31 56.87 2nqw n LYS 19 Cb 0.22 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.08 2nqw n LYS 19 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2nqw s THR 20 N -2.32 2.12 0.64 0.58 2.01 -0.75 -4.73 115.64 113.19 2nqw s THR 20 Ca 0.29 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 2nqw s THR 20 Cb 0.17 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 2nqw s THR 20 CO 0.33 0.01 1.20 -0.94 -0.69 0.00 0.00 174.62 174.53 2nqw s SER 21 N 0.83 4.86 0.35 3.53 1.04 -1.26 -0.84 113.70 122.20 2nqw s SER 21 Ca 0.68 2.34 0.03 0.00 0.48 0.00 0.00 55.95 59.48 2nqw s SER 21 Cb -0.48 -2.59 0.65 0.00 0.10 0.00 0.00 66.02 63.70 2nqw s SER 21 CO 0.40 -1.82 2.01 -0.07 0.98 0.00 0.00 173.24 174.74 2nqw h LEU 22 N 0.41 0.71 -0.87 2.42 3.38 -0.79 -0.24 115.31 120.33 2nqw h LEU 22 Ca -0.49 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2nqw h LEU 22 Cb 1.29 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2nqw h LEU 22 CO 0.53 0.51 0.44 -1.28 0.09 0.00 0.00 178.44 178.74 2nqw h SER 23 N 0.84 1.12 0.00 -0.43 0.87 -1.91 -0.53 113.55 113.51 2nqw h SER 23 Ca 0.23 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 2nqw h SER 23 Cb -0.08 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.58 2nqw h SER 23 CO -0.05 0.93 -0.36 0.44 -0.53 0.00 0.00 176.83 177.26 2nqw h ASP 24 N 1.24 0.50 -0.34 6.23 3.32 -1.66 0.42 116.42 126.13 2nqw h ASP 24 Ca 0.30 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2nqw h ASP 24 Cb 0.08 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2nqw h ASP 24 CO -0.04 0.82 0.22 0.58 -1.72 0.00 0.00 179.24 179.09 2nqw h VAL 25 N 0.41 1.10 -0.56 -1.35 2.07 -0.65 -0.30 116.25 116.97 2nqw h VAL 25 Ca 0.04 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 2nqw h VAL 25 Cb 0.81 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2nqw h VAL 25 CO 0.07 0.10 0.18 0.03 0.02 0.00 0.00 177.57 177.96 2nqw h ARG 26 N 0.46 0.84 0.27 1.57 3.08 -0.84 -0.24 114.38 119.50 2nqw h ARG 26 Ca 0.12 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2nqw h ARG 26 Cb -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2nqw h ARG 26 CO -0.03 0.72 -0.13 1.25 -1.07 0.00 0.00 179.97 180.72 2nqw h HIS 27 N 0.81 -0.33 0.00 3.04 2.76 -0.57 -0.40 115.15 120.46 2nqw h HIS 27 Ca 0.19 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2nqw h HIS 27 Cb 0.23 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2nqw h HIS 27 CO 0.01 -0.18 -0.46 1.88 -1.30 0.00 0.00 177.93 177.89 2nqw h TYR 28 N -0.40 0.00 -0.64 5.26 0.05 -0.83 -3.03 116.97 117.38 2nqw h TYR 28 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2nqw h TYR 28 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2nqw h TYR 28 CO -0.05 0.46 0.00 1.28 -1.05 0.00 0.00 178.16 178.80 2nqw n LEU 29 N -3.45 3.81 -3.64 3.88 4.77 -0.12 -4.97 117.00 117.29 2nqw n LEU 29 Ca 0.00 -1.87 -0.22 0.00 -0.03 0.00 0.00 56.01 53.89 2nqw n LEU 29 Cb 0.60 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2nqw n LEU 29 CO 0.39 0.92 -0.06 0.47 -1.33 0.00 0.00 177.39 177.78 2nqw n ASP 30 N 1.58 -2.64 -4.88 -1.43 8.00 -0.52 -4.98 116.55 111.69 2nqw n ASP 30 Ca 0.23 -0.84 -0.29 0.00 0.71 0.00 0.00 54.79 54.59 2nqw n ASP 30 Cb 0.61 -4.08 -0.04 0.00 -0.02 0.00 0.00 41.12 37.59 2nqw n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2nqw s LEU 31 N -6.47 4.18 0.86 0.64 1.43 -0.28 -5.06 118.68 113.99 2nqw s LEU 31 Ca 0.15 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 2nqw s LEU 31 Cb -0.04 -2.79 0.11 0.00 0.03 0.00 0.00 46.19 43.50 2nqw s LEU 31 CO 0.81 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 176.46 2nqw s PRO 32 N -2.69 1.54 0.49 1.29 0.04 -1.26 -4.80 135.00 129.61 2nqw s PRO 32 Ca 0.33 1.01 0.15 0.00 0.04 0.00 0.00 61.00 62.53 2nqw s PRO 32 Cb -0.12 -1.83 1.14 0.00 0.04 0.00 0.00 34.50 33.74 2nqw s PRO 32 CO 0.26 -2.10 2.09 0.93 0.04 0.00 0.00 177.00 178.22 2nqw h GLU 33 N -1.45 0.05 -0.65 4.56 5.08 -1.98 -1.85 114.58 118.34 2nqw h GLU 33 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2nqw h GLU 33 Cb 1.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2nqw h GLU 33 CO 0.52 0.09 0.00 0.27 -1.00 0.00 0.00 179.01 178.89 2nqw n ASN 34 N -4.46 3.93 -0.33 1.42 6.94 -1.26 -4.58 115.26 116.92 2nqw n ASN 34 Ca -0.02 -2.46 0.08 0.00 -0.02 0.00 0.00 54.58 52.16 2nqw n ASN 34 Cb 0.14 -0.55 0.28 0.00 -2.36 0.00 0.00 39.78 37.29 2nqw n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nqw h ALA 35 N 3.62 1.60 -0.48 -2.53 0.00 -1.70 -1.26 119.26 118.52 2nqw h ALA 35 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2nqw h ALA 35 Cb 1.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2nqw h ALA 35 CO 0.24 0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.86 2nqw n PHE 36 N -4.58 0.63 -4.91 0.00 3.72 -1.26 -4.88 117.46 106.19 2nqw n PHE 36 Ca 0.18 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2nqw n PHE 36 Cb 0.36 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 2nqw n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nqw n GLY 37 N 1.13 0.37 0.32 1.37 0.00 -0.48 -0.50 105.19 107.40 2nqw n GLY 37 Ca 0.17 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 2nqw n GLY 37 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2nqw h GLU 38 N 0.00 0.94 -0.50 1.61 4.81 -1.97 -2.29 114.58 117.19 2nqw h GLU 38 Ca 0.00 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2nqw h GLU 38 Cb 0.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2nqw h GLU 38 CO 0.00 0.79 0.22 -0.07 -0.73 0.00 0.00 179.01 179.22 2nqw h LEU 39 N 0.92 0.67 -1.91 1.64 3.38 -2.01 -2.47 115.31 115.52 2nqw h LEU 39 Ca 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2nqw h LEU 39 Cb 0.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2nqw h LEU 39 CO -0.01 0.63 -0.10 1.23 0.09 0.00 0.00 178.44 180.27 2nqw h GLY 40 N 0.66 0.00 2.00 0.83 0.00 -0.28 -1.39 103.07 104.89 2nqw h GLY 40 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2nqw h GLY 40 CO -0.02 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.97 2nqw h ASP 41 N 0.00 0.00 0.39 0.19 3.32 -0.94 -2.66 116.42 116.72 2nqw h ASP 41 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nqw h ASP 41 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2nqw h ASP 41 CO 0.01 0.00 -0.22 -0.62 -1.72 0.00 0.00 179.24 176.70 2nqw n GLU 42 N -2.35 0.57 -4.22 3.56 1.02 -0.52 -4.94 120.64 113.76 2nqw n GLU 42 Ca 0.01 -0.27 -0.13 0.00 -0.02 0.00 0.00 57.16 56.76 2nqw n GLU 42 Cb 0.19 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 2nqw n GLU 42 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2nqw s VAL 43 N -2.61 0.12 -0.26 2.62 -7.23 -1.00 -5.09 120.40 106.95 2nqw s VAL 43 Ca 0.23 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2nqw s VAL 43 Cb 0.19 -2.49 -0.16 0.00 0.56 0.00 0.00 36.38 34.48 2nqw s VAL 43 CO 0.53 -0.04 -0.23 0.47 -0.31 0.00 0.00 175.10 175.53 2nqw n ASP 44 N -0.29 2.02 -4.57 4.85 8.00 -1.26 -4.92 116.55 120.37 2nqw n ASP 44 Ca 0.01 -0.12 -0.26 0.00 0.71 0.00 0.00 54.79 55.13 2nqw n ASP 44 Cb 0.66 -0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 41.24 2nqw n ASP 44 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2nqw s THR 45 N -2.51 2.08 0.16 -3.53 -4.23 -1.26 -0.12 115.64 106.23 2nqw s THR 45 Ca -0.34 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 57.92 2nqw s THR 45 Cb 0.09 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 71.19 2nqw s THR 45 CO 0.58 -0.11 1.76 0.25 -0.54 0.00 0.00 174.62 176.56 2nqw h LEU 46 N 1.93 0.69 -0.73 4.79 5.85 -1.02 -0.02 115.31 126.80 2nqw h LEU 46 Ca -0.43 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.24 2nqw h LEU 46 Cb 1.24 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2nqw h LEU 46 CO 0.75 0.61 0.42 0.28 -0.34 0.00 0.00 178.44 180.16 2nqw h SER 47 N 0.72 0.64 -0.79 1.25 0.02 -1.47 -1.76 113.55 112.17 2nqw h SER 47 Ca 0.19 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2nqw h SER 47 Cb 0.09 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2nqw h SER 47 CO -0.03 0.41 0.42 1.23 -1.14 0.00 0.00 176.83 177.73 2nqw h GLY 48 N 0.77 1.18 1.01 -3.77 0.00 -1.62 -0.74 103.07 99.91 2nqw h GLY 48 Ca 0.32 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2nqw h GLY 48 CO -0.18 0.52 0.36 -2.00 0.00 0.00 0.00 176.54 175.24 2nqw h LEU 49 N 1.09 0.94 -0.36 3.11 5.85 -0.54 0.66 115.31 126.06 2nqw h LEU 49 Ca 0.28 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2nqw h LEU 49 Cb 0.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2nqw h LEU 49 CO -0.04 0.79 0.17 0.15 -0.34 0.00 0.00 178.44 179.17 2nqw h PHE 50 N 1.01 0.32 -0.41 1.25 3.57 -0.73 -0.77 116.94 121.18 2nqw h PHE 50 Ca 0.25 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 2nqw h PHE 50 Cb 0.09 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2nqw h PHE 50 CO 0.00 0.17 0.02 -0.07 -2.23 0.00 0.00 178.31 176.20 2nqw h LEU 51 N 0.36 0.61 -0.85 0.59 3.38 -0.74 -1.06 115.31 117.59 2nqw h LEU 51 Ca 0.15 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2nqw h LEU 51 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2nqw h LEU 51 CO -0.11 0.67 -0.27 -0.08 0.09 0.00 0.00 178.44 178.74 2nqw h GLU 52 N 0.62 0.54 -0.11 1.13 4.57 -0.28 0.15 114.58 121.19 2nqw h GLU 52 Ca 0.13 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 2nqw h GLU 52 Cb 0.36 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2nqw h GLU 52 CO 0.01 0.76 -0.29 0.82 -1.18 0.00 0.00 179.01 179.14 2nqw h ILE 53 N 0.47 1.38 0.00 2.32 2.04 -0.78 -3.38 117.51 119.56 2nqw h ILE 53 Ca 0.06 -1.59 -0.22 0.00 1.00 0.00 0.00 64.86 64.11 2nqw h ILE 53 Cb 0.72 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.88 2nqw h ILE 53 CO 0.06 0.47 -1.63 0.29 0.00 0.00 0.00 178.15 177.33 2nqw n LYS 54 N -4.43 0.63 -3.76 2.37 4.76 -0.44 -4.98 118.16 112.32 2nqw n LYS 54 Ca -0.07 0.20 -0.26 0.00 -2.87 0.00 0.00 58.31 55.32 2nqw n LYS 54 Cb 0.47 -1.76 0.04 0.00 -1.84 0.00 0.00 35.03 31.94 2nqw n LYS 54 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2nqw n GLN 55 N -2.89 -5.93 -3.61 1.97 1.13 0.53 -4.96 117.38 103.60 2nqw n GLN 55 Ca -0.14 0.67 -0.10 0.00 -1.94 0.00 0.00 57.00 55.49 2nqw n GLN 55 Cb 0.92 -5.51 -0.03 0.00 0.11 0.00 0.00 30.24 25.73 2nqw n GLN 55 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2nqw s GLU 56 N -6.29 1.38 0.32 -1.09 -1.05 -1.26 -5.12 118.70 105.58 2nqw s GLU 56 Ca 0.42 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 54.24 2nqw s GLU 56 Cb -0.20 0.56 -0.10 0.00 -0.44 0.00 0.00 34.13 33.94 2nqw s GLU 56 CO 0.80 -0.60 1.35 -0.51 0.95 0.00 0.00 175.26 177.25 2nqw s LEU 57 N -2.82 4.41 0.48 1.83 1.02 -1.26 -4.92 118.68 117.42 2nqw s LEU 57 Ca 0.05 2.71 -0.10 0.00 0.02 0.00 0.00 54.13 56.81 2nqw s LEU 57 Cb -0.02 -3.64 -0.05 0.00 0.02 0.00 0.00 46.19 42.50 2nqw s LEU 57 CO -0.06 -0.59 0.85 -2.16 0.02 0.00 0.00 176.35 174.40 2nqw s PRO 58 N -1.51 3.71 0.12 1.29 0.04 -1.26 -5.10 135.00 132.29 2nqw s PRO 58 Ca 0.51 0.51 0.05 0.00 0.04 0.00 0.00 61.00 62.12 2nqw s PRO 58 Cb -0.41 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2nqw s PRO 58 CO 0.52 -0.21 -0.12 -1.01 0.04 0.00 0.00 177.00 176.22 2nqw s HIS 59 N -2.65 1.26 0.30 0.56 3.76 -1.26 -5.04 115.29 112.22 2nqw s HIS 59 Ca 0.52 -0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 54.51 2nqw s HIS 59 Cb -0.10 -0.66 -0.12 0.00 1.11 0.00 0.00 32.58 32.80 2nqw s HIS 59 CO 0.39 0.09 1.44 0.28 -0.85 0.00 0.00 174.74 176.09 2nqw n VAL 60 N 0.40 1.36 0.00 -0.90 0.31 -1.26 -1.93 118.33 116.32 2nqw n VAL 60 Ca -0.15 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2nqw n VAL 60 Cb 0.58 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 2nqw n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nqw n GLY 61 N 1.61 1.93 3.76 2.92 0.00 -0.01 -5.02 105.19 110.37 2nqw n GLY 61 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2nqw n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nqw s ASP 62 N -1.77 5.38 0.21 1.61 1.11 -0.81 -4.75 116.67 117.64 2nqw s ASP 62 Ca 0.00 2.41 0.07 0.00 0.18 0.00 0.00 52.55 55.21 2nqw s ASP 62 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 2nqw s ASP 62 CO 0.00 -1.47 -0.13 0.42 1.18 0.00 0.00 175.17 175.18 2nqw s THR 63 N -1.56 1.66 -0.00 -1.27 -4.23 -1.26 -0.73 115.64 108.24 2nqw s THR 63 Ca 0.75 -2.18 -0.16 0.00 -1.18 0.00 0.00 61.69 58.91 2nqw s THR 63 Cb -0.31 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.47 2nqw s THR 63 CO 0.34 -0.56 0.33 0.00 -0.54 0.00 0.00 174.62 174.19 2nqw s ALA 64 N -3.02 -0.83 -0.04 3.99 0.00 -0.45 -4.99 121.76 116.43 2nqw s ALA 64 Ca 0.23 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.56 2nqw s ALA 64 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2nqw s ALA 64 CO 0.07 -0.30 -0.21 0.08 0.00 0.00 0.00 175.76 175.40 2nqw s VAL 65 N -1.60 1.70 -0.33 0.00 1.01 -1.26 -0.61 120.40 119.31 2nqw s VAL 65 Ca -0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 2nqw s VAL 65 Cb -0.04 -1.44 0.13 0.00 0.00 0.00 0.00 36.38 35.03 2nqw s VAL 65 CO 0.03 0.48 0.21 -0.47 0.00 0.00 0.00 175.10 175.35 2nqw s TYR 66 N -0.13 0.39 0.30 5.22 5.04 -0.39 -5.02 117.35 122.76 2nqw s TYR 66 Ca -0.02 -1.21 -0.29 0.00 -2.44 0.00 0.00 57.07 53.12 2nqw s TYR 66 Cb -0.12 -0.81 -0.13 0.00 0.35 0.00 0.00 41.96 41.25 2nqw s TYR 66 CO 0.02 -0.85 1.24 0.39 -1.34 0.00 0.00 175.55 175.01 2nqw n GLU 67 N 4.51 1.86 -0.22 4.97 -0.58 -1.26 -0.46 120.64 129.46 2nqw n GLU 67 Ca 0.06 0.66 0.05 0.00 -0.42 0.00 0.00 57.16 57.50 2nqw n GLU 67 Cb 0.40 -2.20 0.15 0.00 -0.57 0.00 0.00 31.44 29.23 2nqw n GLU 67 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2nqw n PRO 68 N 0.99 1.99 -3.52 3.49 -0.04 -1.26 -5.04 135.00 131.60 2nqw n PRO 68 Ca 0.08 -1.22 -0.34 0.00 -0.04 0.00 0.00 63.50 61.98 2nqw n PRO 68 Cb 0.33 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 2nqw n PRO 68 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2nqw s PHE 69 N -1.62 3.55 -0.04 0.54 0.40 0.39 -4.71 117.98 116.49 2nqw s PHE 69 Ca 0.22 0.82 0.04 0.00 -0.60 0.00 0.00 56.93 57.41 2nqw s PHE 69 Cb 0.13 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.47 2nqw s PHE 69 CO 0.13 0.46 -0.14 0.50 0.70 0.00 0.00 175.22 176.86 2nqw s ARG 70 N -2.14 1.56 0.07 0.44 3.52 -1.26 -1.27 118.95 119.88 2nqw s ARG 70 Ca 0.37 -0.50 0.10 0.00 -0.13 0.00 0.00 55.73 55.56 2nqw s ARG 70 Cb -0.13 -1.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.86 2nqw s ARG 70 CO 0.20 0.18 -0.27 -0.06 -0.81 0.00 0.00 175.30 174.54 2nqw s PHE 71 N 0.17 2.32 -0.02 5.12 0.08 0.22 -1.45 117.98 124.41 2nqw s PHE 71 Ca -0.05 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2nqw s PHE 71 Cb -0.11 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 2nqw s PHE 71 CO 0.02 0.19 -0.01 -1.14 -0.10 0.00 0.00 175.22 174.17 2nqw s GLN 72 N -1.48 0.28 -0.33 0.44 0.74 -0.42 -1.34 119.66 117.55 2nqw s GLN 72 Ca 0.12 -0.02 -0.29 0.00 0.05 0.00 0.00 55.36 55.23 2nqw s GLN 72 Cb -0.10 -0.37 0.01 0.00 1.10 0.00 0.00 33.01 33.65 2nqw s GLN 72 CO 0.03 -0.04 1.27 0.08 -0.55 0.00 0.00 175.29 176.08 2nqw s VAL 73 N 0.50 4.16 -0.11 1.34 1.01 0.09 -0.61 120.40 126.79 2nqw s VAL 73 Ca -0.05 1.29 0.20 0.00 0.00 0.00 0.00 61.98 63.43 2nqw s VAL 73 Cb -0.08 -4.24 -0.30 0.00 0.00 0.00 0.00 36.38 31.77 2nqw s VAL 73 CO -0.01 -0.56 0.30 0.35 0.00 0.00 0.00 175.10 175.18 2nqw n THR 74 N 6.33 0.62 -4.11 3.92 -2.24 -0.46 -0.83 114.28 117.50 2nqw n THR 74 Ca 0.14 -0.66 -0.15 0.00 -2.27 0.00 0.00 64.05 61.11 2nqw n THR 74 Cb 0.47 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 2nqw n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nqw n GLN 75 N -2.48 0.57 0.00 -0.78 6.02 -1.12 -4.86 117.38 114.74 2nqw n GLN 75 Ca -0.17 -2.79 0.00 0.00 -0.01 0.00 0.00 57.00 54.03 2nqw n GLN 75 Cb 0.83 2.54 0.00 0.00 1.02 0.00 0.00 30.24 34.63 2nqw n GLN 75 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2nqw n ASP 77 N -1.70 0.58 0.23 1.08 5.68 -0.59 -1.30 116.55 120.53 2nqw n ASP 77 Ca 0.03 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.41 2nqw n ASP 77 Cb 0.56 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.07 2nqw n ASP 77 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2nqw h LYS 78 N 0.00 0.00 0.00 0.11 1.57 -2.05 -3.36 116.57 112.84 2nqw h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nqw h LYS 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2nqw h LYS 78 CO 0.00 0.23 -0.10 0.54 -0.57 0.00 0.00 179.45 179.55 2nqw n ARG 79 N -3.61 2.85 -4.29 3.15 5.12 -1.26 -5.11 116.66 113.52 2nqw n ARG 79 Ca -0.01 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.70 2nqw n ARG 79 Cb 0.36 -0.32 -0.13 0.00 -1.16 0.00 0.00 32.46 31.22 2nqw n ARG 79 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2nqw s ARG 80 N -0.44 0.96 -0.05 5.56 0.52 -1.26 -5.01 118.95 119.24 2nqw s ARG 80 Ca 0.00 -0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 53.97 2nqw s ARG 80 Cb 0.00 -1.03 -0.06 0.00 0.52 0.00 0.00 34.95 34.38 2nqw s ARG 80 CO 0.00 0.24 1.62 0.42 0.02 0.00 0.00 175.30 177.61 2nqw s ILE 81 N -1.09 3.57 -0.07 1.52 1.01 -1.26 -1.54 121.20 123.35 2nqw s ILE 81 Ca 0.02 0.74 0.11 0.00 0.00 0.00 0.00 60.65 61.52 2nqw s ILE 81 Cb -0.09 -3.48 -0.17 0.00 0.01 0.00 0.00 42.46 38.73 2nqw s ILE 81 CO 0.02 -0.06 0.27 2.30 0.00 0.00 0.00 174.94 177.47 2nqw n ILE 82 N 5.37 0.00 -3.78 2.92 -5.35 -0.42 -4.30 119.36 113.79 2nqw n ILE 82 Ca 0.17 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.27 2nqw n ILE 82 Cb 0.43 0.33 -0.13 0.00 -1.74 0.00 0.00 39.64 38.53 2nqw n ILE 82 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2nqw s GLU 83 N -2.69 0.19 -0.06 6.28 2.12 -0.89 -1.55 118.70 122.10 2nqw s GLU 83 Ca -0.03 0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.67 2nqw s GLU 83 Cb 0.07 0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.48 2nqw s GLU 83 CO 0.46 -0.08 -0.19 0.42 -0.54 0.00 0.00 175.26 175.34 2nqw s ILE 84 N 0.51 1.61 0.01 -3.70 1.01 -0.00 -1.36 121.20 119.28 2nqw s ILE 84 Ca -0.03 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.58 2nqw s ILE 84 Cb -0.05 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 2nqw s ILE 84 CO -0.03 0.46 0.75 -0.75 0.00 0.00 0.00 174.94 175.38 2nqw s LYS 85 N 0.21 4.47 -0.24 2.79 2.20 0.22 -0.48 119.74 128.91 2nqw s LYS 85 Ca -0.10 1.02 -0.07 0.00 -0.36 0.00 0.00 55.97 56.47 2nqw s LYS 85 Cb -0.14 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 2nqw s LYS 85 CO 0.04 0.21 0.05 0.42 -0.36 0.00 0.00 175.35 175.71 2nqw s ILE 86 N 0.24 4.18 0.88 5.43 1.01 -0.14 -1.30 121.20 131.50 2nqw s ILE 86 Ca 0.39 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 2nqw s ILE 86 Cb -0.20 -2.94 0.12 0.00 0.01 0.00 0.00 42.46 39.45 2nqw s ILE 86 CO 0.22 0.36 1.09 -0.36 0.00 0.00 0.00 174.94 176.25 2nqw s PHE 87 N 1.49 2.31 0.52 3.97 0.08 -0.53 -1.06 117.98 124.76 2nqw s PHE 87 Ca 0.06 1.32 -0.23 0.00 0.12 0.00 0.00 56.93 58.20 2nqw s PHE 87 Cb -0.15 -3.15 -0.06 0.00 -0.57 0.00 0.00 43.02 39.10 2nqw s PHE 87 CO 0.03 -2.35 1.39 -2.30 -0.10 0.00 0.00 175.22 171.89 2nqw n PRO 88 N -3.86 1.88 -4.15 0.24 -0.02 -1.25 -4.76 135.00 123.08 2nqw n PRO 88 Ca 0.07 0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 2nqw n PRO 88 Cb 0.55 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 2nqw n PRO 88 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2nqw s PHE 89 N -1.26 0.86 -2.50 6.00 -0.12 -1.26 -4.91 117.98 114.79 2nqw s PHE 89 Ca 0.68 -0.84 0.28 0.00 -0.05 0.00 0.00 56.93 57.00 2nqw s PHE 89 Cb -0.43 -0.50 1.04 0.00 -0.63 0.00 0.00 43.02 42.50 2nqw s PHE 89 CO 0.52 -0.13 1.74 -0.85 -0.05 0.00 0.00 175.22 176.44