#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx0 s ASP 6 N 0.00 3.09 0.11 1.62 -1.08 -1.26 -5.23 116.67 113.92 3kx0 s ASP 6 Ca 0.00 -1.08 -0.20 0.00 -0.52 0.00 0.00 52.55 50.75 3kx0 s ASP 6 Cb 0.00 -0.23 -0.08 0.00 -1.46 0.00 0.00 42.92 41.15 3kx0 s ASP 6 CO 0.00 -0.42 1.69 -0.50 0.52 0.00 0.00 175.17 176.47 3kx0 h TRP 7 N 8.40 0.29 -0.74 -5.34 4.06 -1.97 -0.52 115.95 120.12 3kx0 h TRP 7 Ca -0.18 -0.01 0.14 0.00 2.06 0.00 0.00 58.89 60.90 3kx0 h TRP 7 Cb 1.05 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 29.07 3kx0 h TRP 7 CO 0.26 0.28 0.50 -0.44 -3.56 0.00 0.00 178.44 175.47 3kx0 h ASP 8 N 0.22 0.40 0.20 -3.49 5.19 -1.96 0.20 116.42 117.18 3kx0 h ASP 8 Ca 0.07 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 3kx0 h ASP 8 Cb 0.09 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 3kx0 h ASP 8 CO -0.01 0.21 -1.90 0.29 -3.12 0.00 0.00 179.24 174.71 3kx0 n LYS 9 N -4.48 0.66 -0.11 3.56 4.01 -0.99 -3.35 118.16 117.45 3kx0 n LYS 9 Ca 0.14 -0.07 -0.15 0.00 -0.51 0.00 0.00 58.31 57.72 3kx0 n LYS 9 Cb 0.51 -1.59 -0.11 0.00 -0.51 0.00 0.00 35.03 33.33 3kx0 n LYS 9 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3kx0 n THR 10 N -2.50 1.27 -0.07 -0.18 -1.04 -0.24 -4.68 114.28 106.84 3kx0 n THR 10 Ca -0.11 -0.52 -0.09 0.00 -2.04 0.00 0.00 64.05 61.29 3kx0 n THR 10 Cb 0.73 -1.19 -0.09 0.00 -1.82 0.00 0.00 70.33 67.96 3kx0 n THR 10 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3kx0 n VAL 11 N -3.09 0.93 0.00 12.58 3.14 0.45 -5.05 118.33 127.29 3kx0 n VAL 11 Ca -0.38 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 3kx0 n VAL 11 Cb 0.94 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 3kx0 n VAL 11 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kx0 n GLY 12 N 2.45 3.43 3.79 7.55 0.00 0.24 -4.96 105.19 117.68 3kx0 n GLY 12 Ca -0.26 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 3kx0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kx0 s ALA 13 N -2.21 2.95 0.14 4.61 0.00 -1.25 -3.98 121.76 122.02 3kx0 s ALA 13 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 3kx0 s ALA 13 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.84 3kx0 s ALA 13 CO 0.00 -0.37 1.69 0.00 0.00 0.00 0.00 175.76 177.08 3kx0 h ALA 14 N 1.94 0.55 -0.19 0.00 0.00 -1.95 -0.01 119.26 119.59 3kx0 h ALA 14 Ca -0.49 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 3kx0 h ALA 14 Cb 1.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3kx0 h ALA 14 CO 0.60 0.15 -0.24 0.93 0.00 0.00 0.00 179.25 180.69 3kx0 h GLU 15 N 0.54 0.35 -0.05 0.00 5.08 -1.99 -0.42 114.58 118.09 3kx0 h GLU 15 Ca 0.14 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3kx0 h GLU 15 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kx0 h GLU 15 CO -0.01 0.58 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.05 3kx0 h ASP 16 N 0.32 0.15 -0.84 1.42 5.19 -1.83 -2.20 116.42 118.63 3kx0 h ASP 16 Ca 0.05 -0.56 -0.01 0.00 -0.62 0.00 0.00 57.03 55.89 3kx0 h ASP 16 Cb 0.60 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 3kx0 h ASP 16 CO 0.04 0.68 0.50 0.58 -3.12 0.00 0.00 179.24 177.92 3kx0 h VAL 17 N -0.37 1.24 -0.60 -1.35 2.07 -0.91 -0.94 116.25 115.39 3kx0 h VAL 17 Ca 0.00 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3kx0 h VAL 17 Cb 0.66 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3kx0 h VAL 17 CO 0.02 0.25 0.34 -0.09 0.02 0.00 0.00 177.57 178.12 3kx0 h ARG 18 N 1.16 0.65 -0.41 1.57 2.43 -1.08 -1.24 114.38 117.47 3kx0 h ARG 18 Ca 0.30 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3kx0 h ARG 18 Cb -0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3kx0 h ARG 18 CO -0.05 0.43 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.72 3kx0 h ARG 19 N 0.67 0.66 0.12 0.20 2.43 -0.68 -1.35 114.38 116.43 3kx0 h ARG 19 Ca 0.25 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3kx0 h ARG 19 Cb 0.08 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3kx0 h ARG 19 CO -0.13 0.69 -0.06 0.82 -1.51 0.00 0.00 179.97 179.78 3kx0 h ILE 20 N 0.62 1.01 -0.77 1.20 1.08 -0.85 -3.09 117.51 116.71 3kx0 h ILE 20 Ca 0.12 -0.54 0.18 0.00 -0.39 0.00 0.00 64.86 64.23 3kx0 h ILE 20 Cb 0.42 1.35 -0.12 0.00 -3.07 0.00 0.00 36.82 35.40 3kx0 h ILE 20 CO 0.02 0.13 0.17 0.15 -0.69 0.00 0.00 178.15 177.92 3kx0 h PHE 21 N -0.42 0.25 -0.70 1.37 3.57 -1.03 0.26 116.94 120.24 3kx0 h PHE 21 Ca -0.02 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.65 3kx0 h PHE 21 Cb 0.34 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3kx0 h PHE 21 CO 0.01 -0.13 0.47 1.49 -2.23 0.00 0.00 178.31 177.91 3kx0 h GLU 22 N 0.23 0.44 -0.02 1.11 4.22 -1.17 -2.73 114.58 116.66 3kx0 h GLU 22 Ca 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.86 3kx0 h GLU 22 Cb 0.80 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3kx0 h GLU 22 CO -0.56 0.29 -0.24 0.72 -2.18 0.00 0.00 179.01 177.04 3kx0 n HIS 23 N -4.48 0.00 -1.68 0.92 8.25 -0.06 -2.35 115.22 115.82 3kx0 n HIS 23 Ca 0.12 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.12 3kx0 n HIS 23 Cb 0.44 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 3kx0 n HIS 23 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3kx0 n ILE 24 N 0.25 0.18 -1.36 1.59 2.08 -0.35 -4.83 119.36 116.91 3kx0 n ILE 24 Ca 0.08 -0.03 -0.38 0.00 0.56 0.00 0.00 62.75 62.98 3kx0 n ILE 24 Cb 0.38 -1.71 -0.02 0.00 -0.75 0.00 0.00 39.64 37.55 3kx0 n ILE 24 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3kx0 n PRO 25 N 4.47 3.13 -3.51 0.38 -0.04 -1.26 -4.72 135.00 133.45 3kx0 n PRO 25 Ca 0.18 -2.21 -0.10 0.00 -0.04 0.00 0.00 63.50 61.33 3kx0 n PRO 25 Cb 0.30 -2.92 -0.03 0.00 -0.04 0.00 0.00 33.50 30.81 3kx0 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kx0 s ALA 26 N 2.80 -1.82 -0.29 0.55 0.00 -1.26 -5.13 121.76 116.61 3kx0 s ALA 26 Ca 0.59 1.13 -0.28 0.00 0.00 0.00 0.00 51.96 53.40 3kx0 s ALA 26 Cb 0.16 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.43 3kx0 s ALA 26 CO -0.06 -0.57 1.00 0.42 0.00 0.00 0.00 175.76 176.55 3kx0 s ILE 27 N -2.50 4.62 -0.01 0.00 1.01 -1.23 -4.64 121.20 118.45 3kx0 s ILE 27 Ca 0.01 1.70 0.05 0.00 0.00 0.00 0.00 60.65 62.42 3kx0 s ILE 27 Cb -0.01 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3kx0 s ILE 27 CO -0.05 -0.34 -0.17 -0.76 0.00 0.00 0.00 174.94 173.62 3kx0 s LEU 28 N 3.37 2.03 -0.05 2.97 1.02 -1.26 -1.13 118.68 125.63 3kx0 s LEU 28 Ca 0.42 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 54.22 3kx0 s LEU 28 Cb -0.13 -0.89 0.02 0.00 0.02 0.00 0.00 46.19 45.20 3kx0 s LEU 28 CO 0.12 0.21 0.13 -0.69 0.02 0.00 0.00 176.35 176.14 3kx0 s VAL 29 N -0.40 -0.01 -0.05 -1.59 1.01 -0.80 -3.27 120.40 115.29 3kx0 s VAL 29 Ca 0.06 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.15 3kx0 s VAL 29 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3kx0 s VAL 29 CO -0.01 0.02 -0.24 -0.83 0.00 0.00 0.00 175.10 174.05 3kx0 s GLY 30 N 0.32 1.33 0.15 4.51 0.00 0.50 -0.76 107.32 113.38 3kx0 s GLY 30 Ca -0.02 -1.06 0.08 0.00 0.00 0.00 0.00 44.72 43.72 3kx0 s GLY 30 CO -0.01 -0.73 -0.17 1.08 0.00 0.00 0.00 173.10 173.27 3kx0 s LEU 31 N -0.34 2.43 -0.00 0.66 1.43 0.60 -0.69 118.68 122.76 3kx0 s LEU 31 Ca 0.02 -0.85 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 3kx0 s LEU 31 Cb -0.12 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 3kx0 s LEU 31 CO 0.02 -0.06 -0.10 -1.83 0.23 0.00 0.00 176.35 174.61 3kx0 s GLU 32 N -2.75 0.79 0.04 1.70 4.04 0.14 -2.27 118.70 120.38 3kx0 s GLU 32 Ca 0.14 -0.37 0.00 0.00 0.04 0.00 0.00 54.97 54.78 3kx0 s GLU 32 Cb -0.06 -0.76 0.00 0.00 0.02 0.00 0.00 34.13 33.33 3kx0 s GLU 32 CO 0.06 0.21 0.00 0.41 -1.84 0.00 0.00 175.26 174.09 3kx0 n GLY 33 N 2.78 -1.99 0.10 -3.83 0.00 0.29 -1.50 105.19 101.04 3kx0 n GLY 33 Ca -0.14 -1.47 0.09 0.00 0.00 0.00 0.00 46.02 44.50 3kx0 n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kx0 n PRO 34 N -2.63 0.12 -0.29 1.61 -0.04 -1.26 -1.18 135.00 131.33 3kx0 n PRO 34 Ca -0.00 0.47 0.08 0.00 -0.04 0.00 0.00 63.50 64.01 3kx0 n PRO 34 Cb 0.05 -1.79 0.23 0.00 -0.04 0.00 0.00 33.50 31.95 3kx0 n PRO 34 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kx0 n ASP 35 N -2.03 3.46 -3.66 3.54 8.00 -1.26 -5.00 116.55 119.61 3kx0 n ASP 35 Ca 0.01 -2.10 -0.27 0.00 0.71 0.00 0.00 54.79 53.14 3kx0 n ASP 35 Cb 0.13 -0.36 0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3kx0 n ASP 35 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3kx0 n HIS 36 N 0.85 -1.95 -2.42 1.24 8.25 -0.33 -3.59 115.22 117.27 3kx0 n HIS 36 Ca 0.17 0.62 -0.41 0.00 -0.26 0.00 0.00 57.72 57.84 3kx0 n HIS 36 Cb 0.56 -3.76 -0.04 0.00 1.12 0.00 0.00 29.99 27.87 3kx0 n HIS 36 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3kx0 s ARG 37 N -5.84 4.56 0.22 -0.41 0.52 -0.56 -1.35 118.95 116.09 3kx0 s ARG 37 Ca 0.32 1.84 -0.31 0.00 -0.52 0.00 0.00 55.73 57.06 3kx0 s ARG 37 Cb -0.10 -3.21 -0.11 0.00 0.52 0.00 0.00 34.95 32.04 3kx0 s ARG 37 CO 0.84 0.06 1.62 -0.06 0.02 0.00 0.00 175.30 177.78 3kx0 s PHE 38 N -0.61 2.93 0.00 -0.53 0.08 -0.40 -0.68 117.98 118.76 3kx0 s PHE 38 Ca 0.48 0.59 0.00 0.00 0.12 0.00 0.00 56.93 58.13 3kx0 s PHE 38 Cb -0.32 -4.03 0.00 0.00 -0.57 0.00 0.00 43.02 38.10 3kx0 s PHE 38 CO 0.39 -3.73 0.00 0.28 -0.10 0.00 0.00 175.22 172.06 3kx0 n VAL 39 N 3.41 0.00 -3.64 -0.44 0.31 0.14 -0.49 118.33 117.61 3kx0 n VAL 39 Ca 0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.40 3kx0 n VAL 39 Cb 0.37 0.25 -0.07 0.00 -0.91 0.00 0.00 33.84 33.48 3kx0 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kx0 s ALA 40 N -1.51 -2.09 -0.13 3.52 0.00 -1.11 -4.94 121.76 115.50 3kx0 s ALA 40 Ca 0.00 2.24 -0.10 0.00 0.00 0.00 0.00 51.96 54.09 3kx0 s ALA 40 Cb 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.60 3kx0 s ALA 40 CO 0.00 -0.35 0.34 0.14 0.00 0.00 0.00 175.76 175.90 3kx0 s VAL 41 N 1.27 -0.01 0.58 0.00 -7.23 -1.26 -0.37 120.40 113.38 3kx0 s VAL 41 Ca -0.08 0.04 0.09 0.00 -1.81 0.00 0.00 61.98 60.23 3kx0 s VAL 41 Cb -0.04 -0.49 0.10 0.00 0.56 0.00 0.00 36.38 36.50 3kx0 s VAL 41 CO -0.15 0.02 0.80 -0.46 -0.31 0.00 0.00 175.10 175.00 3kx0 n ASN 42 N 3.41 2.08 -0.26 4.85 6.94 -1.20 -4.91 115.26 126.17 3kx0 n ASN 42 Ca -0.17 -2.52 -0.02 0.00 -0.02 0.00 0.00 54.58 51.85 3kx0 n ASN 42 Cb 0.56 -0.43 0.16 0.00 -2.36 0.00 0.00 39.78 37.72 3kx0 n ASN 42 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kx0 h ALA 43 N 0.10 1.29 -0.32 -2.53 0.00 -1.75 -0.97 119.26 115.07 3kx0 h ALA 43 Ca -0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3kx0 h ALA 43 Cb 1.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kx0 h ALA 43 CO 0.38 0.59 0.17 0.00 0.00 0.00 0.00 179.25 180.39 3kx0 h ALA 44 N 1.38 0.41 -0.15 0.00 0.00 -1.82 0.99 119.26 120.07 3kx0 h ALA 44 Ca 0.28 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kx0 h ALA 44 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kx0 h ALA 44 CO -0.05 -0.06 -0.03 -0.92 0.00 0.00 0.00 179.25 178.20 3kx0 h TYR 45 N 0.39 -0.07 0.00 0.00 3.20 -1.68 -1.94 116.97 116.88 3kx0 h TYR 45 Ca 0.11 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3kx0 h TYR 45 Cb 0.07 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3kx0 h TYR 45 CO -0.03 -0.06 -0.16 0.00 -1.64 0.00 0.00 178.16 176.27 3kx0 h ARG 46 N 0.01 0.00 -0.48 1.82 3.08 -0.88 -0.70 114.38 117.23 3kx0 h ARG 46 Ca 0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3kx0 h ARG 46 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3kx0 h ARG 46 CO -0.15 0.16 -0.10 0.78 -1.07 0.00 0.00 179.97 179.60 3kx0 h GLY 47 N 0.84 0.95 2.00 0.04 0.00 -0.22 -2.79 103.07 103.89 3kx0 h GLY 47 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3kx0 h GLY 47 CO 0.02 0.66 0.00 -2.75 0.00 0.00 0.00 176.54 174.47 3kx0 h PHE 48 N 0.79 0.00 -2.32 5.60 3.57 -0.44 -3.39 116.94 120.74 3kx0 h PHE 48 Ca 0.13 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.27 3kx0 h PHE 48 Cb 0.61 0.00 -0.35 0.00 2.79 0.00 0.00 35.95 39.00 3kx0 h PHE 48 CO 0.04 0.00 -0.66 0.45 -2.23 0.00 0.00 178.31 175.91 3kx0 s SER 49 N -5.90 1.96 -0.01 0.41 0.15 -0.54 -5.04 113.70 104.73 3kx0 s SER 49 Ca 0.06 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.96 3kx0 s SER 49 Cb 0.07 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 3kx0 s SER 49 CO 0.64 -0.39 1.00 -2.65 1.20 0.00 0.00 173.24 173.04 3kx0 n PRO 50 N 5.30 1.03 -3.33 5.44 -0.02 -1.07 -4.40 135.00 137.94 3kx0 n PRO 50 Ca -0.03 -0.07 -0.44 0.00 -2.02 0.00 0.00 63.50 60.94 3kx0 n PRO 50 Cb 0.46 -1.05 -0.08 0.00 -0.02 0.00 0.00 33.50 32.81 3kx0 n PRO 50 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kx0 s LEU 51 N -0.07 5.16 0.00 2.45 1.02 -1.26 -5.06 118.68 120.92 3kx0 s LEU 51 Ca 0.01 -0.96 0.00 0.00 0.02 0.00 0.00 54.13 53.21 3kx0 s LEU 51 Cb 0.01 -2.30 0.00 0.00 0.02 0.00 0.00 46.19 43.92 3kx0 s LEU 51 CO 0.00 -0.64 0.00 0.18 0.02 0.00 0.00 176.35 175.91 3kx0 n LEU 52 N 5.52 0.00 -3.89 1.79 7.99 -1.26 -4.74 117.00 122.41 3kx0 n LEU 52 Ca -0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.63 3kx0 n LEU 52 Cb 0.46 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.77 3kx0 n LEU 52 CO 0.47 0.00 -0.19 0.47 -1.51 0.00 0.00 177.39 176.63 3kx0 n ASP 53 N 0.00 -1.75 -0.00 -1.43 8.00 -1.26 -4.88 116.55 115.22 3kx0 n ASP 53 Ca 0.00 -1.03 0.03 0.00 0.71 0.00 0.00 54.79 54.50 3kx0 n ASP 53 Cb 0.00 -3.06 -0.04 0.00 -0.02 0.00 0.00 41.12 37.99 3kx0 n ASP 53 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3kx0 n THR 54 N -4.38 0.00 -1.75 -3.53 5.66 -1.26 -5.01 114.28 104.00 3kx0 n THR 54 Ca -0.25 -0.18 -0.42 0.00 -3.05 0.00 0.00 64.05 60.16 3kx0 n THR 54 Cb 0.66 0.49 -0.00 0.00 -1.55 0.00 0.00 70.33 69.92 3kx0 n THR 54 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3kx0 n VAL 55 N -1.59 1.86 0.00 1.08 0.31 -1.26 -3.13 118.33 115.59 3kx0 n VAL 55 Ca -0.01 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3kx0 n VAL 55 Cb 0.14 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 3kx0 n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kx0 n GLY 56 N 0.76 2.75 3.81 2.92 0.00 0.35 -4.95 105.19 110.84 3kx0 n GLY 56 Ca 0.03 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3kx0 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kx0 s GLN 57 N 0.00 4.21 0.26 1.61 -0.21 -1.18 -4.55 119.66 119.80 3kx0 s GLN 57 Ca 0.00 1.16 -0.29 0.00 0.02 0.00 0.00 55.36 56.25 3kx0 s GLN 57 Cb 0.00 -2.22 -0.10 0.00 1.00 0.00 0.00 33.01 31.69 3kx0 s GLN 57 CO 0.00 -0.05 1.27 -2.14 -2.12 0.00 0.00 175.29 172.26 3kx0 s PRO 58 N -3.10 4.42 0.14 2.91 0.02 -1.26 -1.28 135.00 136.85 3kx0 s PRO 58 Ca 0.62 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 3kx0 s PRO 58 Cb -0.11 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 3kx0 s PRO 58 CO 0.15 -0.15 1.57 0.00 -0.33 0.00 0.00 177.00 178.23 3kx0 h ALA 59 N 4.33 -0.60 0.00 -1.55 0.00 -1.27 0.50 119.26 120.68 3kx0 h ALA 59 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kx0 h ALA 59 Cb 1.22 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.96 3kx0 h ALA 59 CO 0.71 -0.95 0.36 0.07 0.00 0.00 0.00 179.25 179.44 3kx0 h ARG 60 N -0.40 0.00 0.00 0.00 -0.00 -1.84 0.25 114.38 112.38 3kx0 h ARG 60 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.98 3kx0 h ARG 60 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.56 3kx0 h ARG 60 CO -0.54 0.00 -1.44 -1.91 -0.00 0.00 0.00 179.97 176.08 3kx0 n GLU 61 N -2.22 0.63 -0.05 0.08 2.13 0.16 -3.03 120.64 118.34 3kx0 n GLU 61 Ca -0.01 0.10 0.01 0.00 0.66 0.00 0.00 57.16 57.92 3kx0 n GLU 61 Cb 0.38 -1.75 -0.16 0.00 0.27 0.00 0.00 31.44 30.18 3kx0 n GLU 61 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3kx0 n VAL 62 N -2.70 0.66 -3.13 6.31 0.24 0.72 -4.56 118.33 115.87 3kx0 n VAL 62 Ca -0.07 -0.67 -0.26 0.00 -2.04 0.00 0.00 64.34 61.30 3kx0 n VAL 62 Cb 0.72 -0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 3kx0 n VAL 62 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3kx0 n TYR 63 N -2.50 3.44 0.36 6.34 4.01 -0.33 -4.88 117.16 123.60 3kx0 n TYR 63 Ca -0.17 -4.02 0.14 0.00 -0.16 0.00 0.00 57.90 53.69 3kx0 n TYR 63 Cb 0.84 -0.50 0.46 0.00 -0.31 0.00 0.00 39.34 39.83 3kx0 n TYR 63 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3kx0 h PRO 64 N 3.42 0.00 0.00 -0.72 0.11 -1.78 -3.10 132.00 129.93 3kx0 h PRO 64 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3kx0 h PRO 64 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3kx0 h PRO 64 CO 0.79 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.51 3kx0 h GLU 65 N 0.00 0.00 -6.20 1.05 5.08 -1.89 -3.37 114.58 109.25 3kx0 h GLU 65 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3kx0 h GLU 65 Cb 0.64 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 3kx0 h GLU 65 CO 0.00 0.00 -0.49 -0.51 -1.00 0.00 0.00 179.01 177.01 3kx0 s LEU 66 N -5.74 3.70 -0.29 1.33 2.01 -1.17 -5.13 118.68 113.38 3kx0 s LEU 66 Ca -0.04 -0.38 -0.00 0.00 0.01 0.00 0.00 54.13 53.72 3kx0 s LEU 66 Cb 0.11 -2.27 0.18 0.00 0.01 0.00 0.00 46.19 44.23 3kx0 s LEU 66 CO 0.36 -0.19 0.56 -1.61 1.01 0.00 0.00 176.35 176.48 3kx0 s GLU 67 N -3.91 0.53 -0.58 1.70 0.41 -1.26 -4.92 118.70 110.66 3kx0 s GLU 67 Ca 0.37 0.84 -0.07 0.00 -0.41 0.00 0.00 54.97 55.69 3kx0 s GLU 67 Cb -0.07 0.33 0.07 0.00 -1.78 0.00 0.00 34.13 32.68 3kx0 s GLU 67 CO 0.26 -0.70 0.18 0.41 -0.49 0.00 0.00 175.26 174.92 3kx0 n GLY 68 N 5.42 -0.39 2.96 -1.39 0.00 -1.26 -4.83 105.19 105.69 3kx0 n GLY 68 Ca -0.00 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 3kx0 n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kx0 s GLN 69 N -4.96 0.42 -0.18 1.61 0.00 -1.26 -4.31 119.66 110.98 3kx0 s GLN 69 Ca 0.26 0.39 0.16 0.00 -0.00 0.00 0.00 55.36 56.17 3kx0 s GLN 69 Cb -0.15 -0.23 0.46 0.00 0.00 0.00 0.00 33.01 33.09 3kx0 s GLN 69 CO 0.32 -0.86 1.35 1.04 0.00 0.00 0.00 175.29 177.13 3kx0 n GLN 70 N 5.37 2.26 -0.07 9.60 6.02 -1.26 -4.86 117.38 134.44 3kx0 n GLN 70 Ca -0.01 -2.83 -0.09 0.00 -0.01 0.00 0.00 57.00 54.06 3kx0 n GLN 70 Cb 0.50 -1.74 -0.07 0.00 1.02 0.00 0.00 30.24 29.96 3kx0 n GLN 70 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 3kx0 h ILE 71 N 1.16 0.75 -0.64 5.09 6.09 -1.93 -3.30 117.51 124.72 3kx0 h ILE 71 Ca 0.03 -1.65 0.19 0.00 -1.37 0.00 0.00 64.86 62.06 3kx0 h ILE 71 Cb 1.34 1.50 -0.03 0.00 0.47 0.00 0.00 36.82 40.10 3kx0 h ILE 71 CO 0.18 0.25 0.69 1.88 -3.07 0.00 0.00 178.15 178.08 3kx0 h TYR 72 N -1.00 0.00 -0.16 2.19 0.05 -1.89 -1.14 116.97 115.03 3kx0 h TYR 72 Ca -0.06 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.63 3kx0 h TYR 72 Cb 0.65 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.34 3kx0 h TYR 72 CO 0.07 0.00 0.11 -1.91 -1.05 0.00 0.00 178.16 175.38 3kx0 n GLU 73 N -3.60 1.20 0.00 4.88 0.00 -1.25 -1.61 120.64 120.27 3kx0 n GLU 73 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 57.16 56.81 3kx0 n GLU 73 Cb 0.92 -1.19 0.00 0.00 0.00 0.00 0.00 31.44 31.17 3kx0 n GLU 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3kx0 n LEU 75 N 0.33 0.00 -0.12 4.31 4.77 -0.43 -2.00 117.00 123.86 3kx0 n LEU 75 Ca 0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 3kx0 n LEU 75 Cb 0.67 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 3kx0 n LEU 75 CO 0.10 0.00 0.98 0.44 -1.33 0.00 0.00 177.39 177.58 3kx0 h ASP 76 N 0.00 0.25 -0.85 -1.43 3.32 -1.56 -0.78 116.42 115.38 3kx0 h ASP 76 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3kx0 h ASP 76 Cb 0.00 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3kx0 h ASP 76 CO 0.00 0.19 0.40 -0.09 -1.72 0.00 0.00 179.24 178.02 3kx0 h ARG 77 N 0.37 1.23 -0.54 3.56 2.43 -1.68 0.40 114.38 120.15 3kx0 h ARG 77 Ca 0.17 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3kx0 h ARG 77 Cb 0.09 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3kx0 h ARG 77 CO -0.13 0.95 -0.07 0.28 -1.51 0.00 0.00 179.97 179.48 3kx0 h VAL 78 N 1.21 1.27 0.02 0.20 2.07 -1.71 0.02 116.25 119.33 3kx0 h VAL 78 Ca 0.29 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3kx0 h VAL 78 Cb 0.13 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3kx0 h VAL 78 CO -0.04 0.43 -0.01 0.22 0.02 0.00 0.00 177.57 178.20 3kx0 h TYR 79 N 0.87 -0.02 -0.18 1.57 3.20 -0.42 0.84 116.97 122.82 3kx0 h TYR 79 Ca 0.14 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3kx0 h TYR 79 Cb 0.63 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3kx0 h TYR 79 CO 0.05 0.29 -0.01 1.96 -1.64 0.00 0.00 178.16 178.81 3kx0 h GLN 80 N -0.34 0.33 0.00 1.82 4.20 -0.25 -3.36 115.11 117.50 3kx0 h GLN 80 Ca -0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3kx0 h GLN 80 Cb 0.32 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3kx0 h GLN 80 CO 0.00 0.54 -1.56 0.25 -0.67 0.00 0.00 178.83 177.40 3kx0 n THR 81 N -4.70 0.00 -0.94 -0.54 -2.24 -0.01 -4.98 114.28 100.87 3kx0 n THR 81 Ca -0.05 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3kx0 n THR 81 Cb 0.23 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3kx0 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kx0 n GLY 82 N 1.44 0.44 3.66 3.38 0.00 0.29 -4.99 105.19 109.42 3kx0 n GLY 82 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3kx0 n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kx0 s GLU 83 N -0.57 4.26 0.53 1.61 2.02 -1.26 -4.66 118.70 120.63 3kx0 s GLU 83 Ca 0.00 1.48 -0.22 0.00 0.02 0.00 0.00 54.97 56.25 3kx0 s GLU 83 Cb 0.00 -3.68 -0.06 0.00 0.10 0.00 0.00 34.13 30.49 3kx0 s GLU 83 CO 0.00 -0.64 1.33 -2.30 0.02 0.00 0.00 175.26 173.67 3kx0 n PRO 84 N 6.36 1.71 -4.55 0.39 -0.02 -1.26 -4.30 135.00 133.32 3kx0 n PRO 84 Ca 0.13 0.63 -0.21 0.00 -2.02 0.00 0.00 63.50 62.02 3kx0 n PRO 84 Cb 0.46 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.25 3kx0 n PRO 84 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3kx0 s GLN 85 N -2.78 1.03 -0.00 -0.52 0.74 -0.21 -5.00 119.66 112.92 3kx0 s GLN 85 Ca 0.70 -0.44 0.08 0.00 0.05 0.00 0.00 55.36 55.75 3kx0 s GLN 85 Cb -0.43 -0.99 -0.02 0.00 1.10 0.00 0.00 33.01 32.67 3kx0 s GLN 85 CO 0.51 0.25 -0.24 -1.12 -0.55 0.00 0.00 175.29 174.14 3kx0 s SER 86 N -0.24 3.30 0.18 6.67 0.01 -1.26 0.28 113.70 122.64 3kx0 s SER 86 Ca 0.04 -0.46 0.11 0.00 1.31 0.00 0.00 55.95 56.95 3kx0 s SER 86 Cb -0.05 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 3kx0 s SER 86 CO -0.00 0.30 -0.24 -0.83 0.41 0.00 0.00 173.24 172.87 3kx0 s GLY 87 N -0.88 1.67 -0.15 3.44 0.00 -0.38 -4.99 107.32 106.02 3kx0 s GLY 87 Ca 0.11 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.23 3kx0 s GLY 87 CO 0.01 -1.61 -0.08 -0.45 0.00 0.00 0.00 173.10 170.96 3kx0 s SER 88 N -2.54 2.65 -1.12 1.64 0.15 -1.26 -2.42 113.70 110.81 3kx0 s SER 88 Ca 0.19 -0.54 -0.02 0.00 0.70 0.00 0.00 55.95 56.28 3kx0 s SER 88 Cb -0.08 -0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 63.23 3kx0 s SER 88 CO 0.09 -0.14 0.95 -0.62 1.20 0.00 0.00 173.24 174.72 3kx0 n GLU 89 N 4.86 -4.83 -3.02 5.44 1.02 -0.64 -4.93 120.64 118.53 3kx0 n GLU 89 Ca -0.13 0.84 -0.40 0.00 -0.02 0.00 0.00 57.16 57.45 3kx0 n GLU 89 Cb 0.49 -5.79 -0.05 0.00 -0.02 0.00 0.00 31.44 26.07 3kx0 n GLU 89 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3kx0 s TRP 90 N -3.36 3.48 0.42 -0.32 0.52 -0.04 -4.59 118.94 115.06 3kx0 s TRP 90 Ca 0.18 1.17 -0.24 0.00 0.02 0.00 0.00 56.10 57.22 3kx0 s TRP 90 Cb -0.02 -2.86 -0.08 0.00 -1.15 0.00 0.00 33.47 29.36 3kx0 s TRP 90 CO 0.72 -0.06 1.13 -0.98 0.02 0.00 0.00 176.95 177.77 3kx0 s ARG 91 N 1.44 3.97 -0.24 4.98 1.70 -1.25 -1.42 118.95 128.12 3kx0 s ARG 91 Ca 0.35 1.70 -0.03 0.00 -0.47 0.00 0.00 55.73 57.29 3kx0 s ARG 91 Cb -0.17 -2.52 0.13 0.00 -0.57 0.00 0.00 34.95 31.82 3kx0 s ARG 91 CO 0.15 -0.36 0.34 -0.51 -1.08 0.00 0.00 175.30 173.84 3kx0 s LEU 92 N -2.76 -0.50 0.11 -1.89 1.02 -0.24 -4.97 118.68 109.45 3kx0 s LEU 92 Ca 0.60 0.05 -0.25 0.00 0.02 0.00 0.00 54.13 54.55 3kx0 s LEU 92 Cb -0.27 0.91 -0.07 0.00 0.02 0.00 0.00 46.19 46.79 3kx0 s LEU 92 CO 0.33 -0.31 0.75 -1.10 0.02 0.00 0.00 176.35 176.04 3kx0 s GLN 93 N 2.49 4.51 0.00 1.70 -1.52 -1.26 -2.76 119.66 122.80 3kx0 s GLN 93 Ca 0.11 1.08 0.00 0.00 -1.95 0.00 0.00 55.36 54.60 3kx0 s GLN 93 Cb -0.15 -3.30 0.00 0.00 -0.22 0.00 0.00 33.01 29.34 3kx0 s GLN 93 CO -0.16 0.47 0.00 -0.85 -0.25 0.00 0.00 175.29 174.50 3kx0 n GLU 102 N 2.06 0.00 -3.70 2.91 0.28 -1.26 -4.89 120.64 116.05 3kx0 n GLU 102 Ca -0.05 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.67 3kx0 n GLU 102 Cb 0.49 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.20 3kx0 n GLU 102 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3kx0 s GLU 103 N 0.00 0.53 0.33 3.44 2.12 -1.26 -5.14 118.70 118.72 3kx0 s GLU 103 Ca 0.00 -0.46 0.10 0.00 0.36 0.00 0.00 54.97 54.96 3kx0 s GLU 103 Cb 0.00 -1.97 -0.06 0.00 0.26 0.00 0.00 34.13 32.36 3kx0 s GLU 103 CO 0.00 -0.72 -0.09 1.03 -0.54 0.00 0.00 175.26 174.93 3kx0 s ARG 104 N 1.89 1.84 -0.03 4.30 1.81 -1.11 -4.95 118.95 122.69 3kx0 s ARG 104 Ca 0.02 -1.88 0.03 0.00 -1.72 0.00 0.00 55.73 52.18 3kx0 s ARG 104 Cb -0.17 -1.75 0.00 0.00 -0.45 0.00 0.00 34.95 32.58 3kx0 s ARG 104 CO -0.13 0.17 -0.12 0.71 -0.68 0.00 0.00 175.30 175.25 3kx0 s TYR 105 N -2.58 1.25 -0.04 -0.53 1.51 -1.26 -1.08 117.35 114.63 3kx0 s TYR 105 Ca 0.32 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 3kx0 s TYR 105 Cb 0.01 -0.87 0.01 0.00 -0.11 0.00 0.00 41.96 40.99 3kx0 s TYR 105 CO 0.17 -0.13 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.32 3kx0 s PHE 106 N 0.17 1.04 0.23 2.71 0.08 -0.51 -0.39 117.98 121.32 3kx0 s PHE 106 Ca -0.04 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 56.68 3kx0 s PHE 106 Cb -0.10 -0.77 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 3kx0 s PHE 106 CO 0.01 -0.15 0.47 -0.51 -0.10 0.00 0.00 175.22 174.95 3kx0 s ASP 107 N 0.38 6.45 0.06 1.36 -0.00 -0.16 -0.86 116.67 123.90 3kx0 s ASP 107 Ca -0.07 0.61 -0.26 0.00 -0.00 0.00 0.00 52.55 52.83 3kx0 s ASP 107 Cb -0.11 -2.10 0.08 0.00 -0.00 0.00 0.00 42.92 40.79 3kx0 s ASP 107 CO 0.01 -0.10 0.71 0.72 -0.00 0.00 0.00 175.17 176.50 3kx0 s PHE 108 N -1.93 -0.51 -0.05 4.23 -0.12 -1.01 -0.37 117.98 118.22 3kx0 s PHE 108 Ca 0.42 0.49 0.02 0.00 -0.05 0.00 0.00 56.93 57.81 3kx0 s PHE 108 Cb -0.11 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 42.81 3kx0 s PHE 108 CO 0.28 -0.70 -0.08 0.54 -0.05 0.00 0.00 175.22 175.21 3kx0 s VAL 109 N -2.91 0.79 -0.17 -2.49 0.11 -0.97 -1.25 120.40 113.52 3kx0 s VAL 109 Ca -0.01 -0.30 -0.02 0.00 -2.93 0.00 0.00 61.98 58.73 3kx0 s VAL 109 Cb -0.01 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 3kx0 s VAL 109 CO -0.06 0.27 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.19 3kx0 s VAL 110 N 0.65 3.16 0.24 2.04 1.01 0.14 -2.65 120.40 124.99 3kx0 s VAL 110 Ca -0.11 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.38 3kx0 s VAL 110 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3kx0 s VAL 110 CO 0.02 0.49 -0.20 0.42 0.00 0.00 0.00 175.10 175.82 3kx0 s THR 111 N 0.81 2.30 0.62 3.92 -4.23 -0.77 -1.05 115.64 117.24 3kx0 s THR 111 Ca -0.03 -2.27 -0.12 0.00 -1.18 0.00 0.00 61.69 58.08 3kx0 s THR 111 Cb -0.15 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 3kx0 s THR 111 CO 0.01 -0.37 1.03 -2.16 -0.54 0.00 0.00 174.62 172.59 3kx0 s PRO 112 N -3.31 3.52 -0.17 3.99 0.04 -1.26 -1.99 135.00 135.82 3kx0 s PRO 112 Ca 0.26 0.85 0.01 0.00 0.04 0.00 0.00 61.00 62.15 3kx0 s PRO 112 Cb -0.05 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3kx0 s PRO 112 CO 0.12 -0.63 -0.16 0.50 0.04 0.00 0.00 177.00 176.87 3kx0 s ARG 113 N -4.91 2.55 -0.02 4.56 3.52 -0.45 -4.83 118.95 119.36 3kx0 s ARG 113 Ca 0.57 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 55.46 3kx0 s ARG 113 Cb -0.12 -2.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 3kx0 s ARG 113 CO 0.49 -0.24 0.10 1.03 -0.81 0.00 0.00 175.30 175.87 3kx0 s ARG 114 N 1.40 3.16 0.99 5.12 0.52 -1.26 -0.70 118.95 128.18 3kx0 s ARG 114 Ca 0.04 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 54.69 3kx0 s ARG 114 Cb -0.13 -2.93 0.19 0.00 0.52 0.00 0.00 34.95 32.60 3kx0 s ARG 114 CO -0.11 0.67 1.20 1.03 0.02 0.00 0.00 175.30 178.10 3kx0 s ARG 115 N -1.63 0.50 0.55 3.54 0.52 0.11 -4.90 118.95 117.64 3kx0 s ARG 115 Ca 0.22 -0.04 0.27 0.00 -0.52 0.00 0.00 55.73 55.66 3kx0 s ARG 115 Cb -0.12 -1.79 1.61 0.00 0.52 0.00 0.00 34.95 35.17 3kx0 s ARG 115 CO 0.13 -2.57 2.18 0.00 0.02 0.00 0.00 175.30 175.06 3kx0 h ALA 116 N -1.76 1.52 -0.01 2.13 0.00 -2.00 -1.50 119.26 117.64 3kx0 h ALA 116 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kx0 h ALA 116 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kx0 h ALA 116 CO 0.48 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 3kx0 n ASP 117 N -3.90 0.47 0.00 0.00 5.75 -1.26 -4.87 116.55 112.74 3kx0 n ASP 117 Ca -0.03 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 3kx0 n ASP 117 Cb 0.13 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3kx0 n ASP 117 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kx0 n GLY 118 N 1.02 0.78 3.89 6.12 0.00 -0.57 -5.05 105.19 111.38 3kx0 n GLY 118 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3kx0 n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kx0 s SER 119 N -2.98 6.40 -0.18 1.61 1.04 -1.26 -4.74 113.70 113.60 3kx0 s SER 119 Ca 0.00 0.99 -0.18 0.00 0.48 0.00 0.00 55.95 57.24 3kx0 s SER 119 Cb 0.00 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 3kx0 s SER 119 CO 0.00 -0.45 0.50 -0.63 0.98 0.00 0.00 173.24 173.65 3kx0 s ILE 120 N -2.49 5.13 -0.20 -1.02 1.01 -1.26 0.04 121.20 122.41 3kx0 s ILE 120 Ca 0.49 0.95 0.10 0.00 0.00 0.00 0.00 60.65 62.19 3kx0 s ILE 120 Cb -0.10 -3.83 -0.22 0.00 0.01 0.00 0.00 42.46 38.31 3kx0 s ILE 120 CO 0.37 0.22 0.03 1.21 0.00 0.00 0.00 174.94 176.77 3kx0 n GLU 121 N 4.45 0.68 0.00 2.79 2.13 0.13 -4.94 120.64 125.87 3kx0 n GLU 121 Ca -0.05 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3kx0 n GLU 121 Cb 0.51 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.66 3kx0 n GLU 121 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kx0 n GLY 122 N 1.93 0.74 3.21 8.31 0.00 -1.22 -0.54 105.19 117.62 3kx0 n GLY 122 Ca -0.36 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 3kx0 n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kx0 s VAL 123 N -1.84 0.09 0.05 1.61 -7.23 -0.96 -1.34 120.40 110.78 3kx0 s VAL 123 Ca 0.00 -1.72 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 3kx0 s VAL 123 Cb 0.00 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 3kx0 s VAL 123 CO 0.00 -0.42 0.07 0.00 -0.31 0.00 0.00 175.10 174.43 3kx0 s GLN 124 N -4.02 0.63 0.03 4.82 0.00 -0.84 -0.29 119.66 119.99 3kx0 s GLN 124 Ca 0.21 -0.94 0.02 0.00 -0.00 0.00 0.00 55.36 54.65 3kx0 s GLN 124 Cb 0.06 0.24 -0.02 0.00 0.00 0.00 0.00 33.01 33.29 3kx0 s GLN 124 CO 0.01 -0.15 -0.07 -0.51 0.00 0.00 0.00 175.29 174.56 3kx0 s LEU 125 N -2.50 2.21 -0.12 2.60 1.02 0.06 -1.85 118.68 120.11 3kx0 s LEU 125 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.70 3kx0 s LEU 125 Cb 0.03 -0.19 -0.02 0.00 0.02 0.00 0.00 46.19 46.03 3kx0 s LEU 125 CO -0.07 -0.15 -0.13 -0.51 0.02 0.00 0.00 176.35 175.51 3kx0 s ILE 126 N -1.13 3.10 0.10 -0.59 2.07 -1.09 -1.91 121.20 121.76 3kx0 s ILE 126 Ca -0.07 -0.66 0.09 0.00 -1.41 0.00 0.00 60.65 58.60 3kx0 s ILE 126 Cb -0.08 -2.29 -0.04 0.00 0.13 0.00 0.00 42.46 40.18 3kx0 s ILE 126 CO 0.00 0.54 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.66 3kx0 s VAL 127 N 0.15 2.54 -0.08 4.00 1.01 -0.28 -2.29 120.40 125.45 3kx0 s VAL 127 Ca -0.07 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 60.37 3kx0 s VAL 127 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3kx0 s VAL 127 CO 0.05 0.16 -0.04 -0.62 0.00 0.00 0.00 175.10 174.65 3kx0 s ASP 128 N -1.90 1.74 -0.40 3.32 2.15 0.51 -3.48 116.67 118.61 3kx0 s ASP 128 Ca 0.15 -0.18 -0.28 0.00 0.43 0.00 0.00 52.55 52.68 3kx0 s ASP 128 Cb -0.10 -0.60 0.02 0.00 -0.30 0.00 0.00 42.92 41.93 3kx0 s ASP 128 CO 0.07 -0.14 1.04 -0.62 -0.17 0.00 0.00 175.17 175.35 3kx0 s ASP 129 N 1.71 6.73 -0.19 -0.34 -1.08 -1.26 -0.99 116.67 121.25 3kx0 s ASP 129 Ca 0.03 0.65 0.14 0.00 -0.52 0.00 0.00 52.55 52.85 3kx0 s ASP 129 Cb -0.13 -2.52 0.40 0.00 -1.46 0.00 0.00 42.92 39.22 3kx0 s ASP 129 CO -0.05 -1.01 1.26 1.33 0.52 0.00 0.00 175.17 177.22 3kx0 n VAL 130 N 6.26 2.16 -0.23 1.11 0.24 0.48 -4.76 118.33 123.58 3kx0 n VAL 130 Ca 0.10 -2.61 -0.01 0.00 -2.04 0.00 0.00 64.34 59.78 3kx0 n VAL 130 Cb 0.48 -0.26 0.11 0.00 -1.47 0.00 0.00 33.84 32.70 3kx0 n VAL 130 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3kx0 h THR 131 N 0.73 0.94 0.00 3.34 2.02 -1.89 -1.81 112.91 116.24 3kx0 h THR 131 Ca 0.04 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 3kx0 h THR 131 Cb 1.17 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3kx0 h THR 131 CO 0.10 0.12 -0.17 0.77 0.37 0.00 0.00 175.52 176.70 3kx0 h SER 132 N 0.66 0.00 0.07 4.18 4.64 -1.92 0.10 113.55 121.28 3kx0 h SER 132 Ca 0.31 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.39 3kx0 h SER 132 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3kx0 h SER 132 CO -0.20 0.17 -0.92 -0.09 -0.87 0.00 0.00 176.83 174.92 3kx0 h ARG 133 N 0.00 0.63 0.25 4.77 2.43 -1.71 -2.73 114.38 118.02 3kx0 h ARG 133 Ca -0.00 -0.61 -0.33 0.00 -0.81 0.00 0.00 59.98 58.23 3kx0 h ARG 133 Cb 0.72 0.16 0.04 0.00 -0.42 0.00 0.00 29.97 30.47 3kx0 h ARG 133 CO 0.02 1.22 -1.44 -0.39 -1.51 0.00 0.00 179.97 177.87 3kx0 h VAL 134 N 0.38 1.29 0.00 0.20 -1.51 -1.10 -3.15 116.25 112.36 3kx0 h VAL 134 Ca -0.09 -2.68 0.00 0.00 -1.23 0.00 0.00 66.70 62.70 3kx0 h VAL 134 Cb 1.55 3.05 0.00 0.00 -2.13 0.00 0.00 31.29 33.77 3kx0 h VAL 134 CO 0.18 0.80 0.07 -1.14 -1.23 0.00 0.00 177.57 176.25 3kx0 n ARG 135 N -3.75 0.06 -0.89 5.19 0.63 0.32 -1.58 116.66 116.63 3kx0 n ARG 135 Ca -0.17 0.53 -0.18 0.00 -0.92 0.00 0.00 57.85 57.10 3kx0 n ARG 135 Cb 1.08 -1.76 0.10 0.00 0.45 0.00 0.00 32.46 32.33 3kx0 n ARG 135 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kx0 n ALA 136 N -1.57 4.89 -3.75 5.13 0.00 -1.03 -4.71 120.51 119.46 3kx0 n ALA 136 Ca -0.01 -2.05 -0.33 0.00 0.00 0.00 0.00 53.44 51.06 3kx0 n ALA 136 Cb 0.08 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.07 3kx0 n ALA 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kx0 s ARG 137 N -2.30 2.86 0.00 0.00 3.52 -0.62 -5.06 118.95 117.36 3kx0 s ARG 137 Ca 0.40 -3.21 0.26 0.00 -0.13 0.00 0.00 55.73 53.05 3kx0 s ARG 137 Cb 0.32 -3.72 0.62 0.00 -1.56 0.00 0.00 34.95 30.62 3kx0 s ARG 137 CO 0.05 -1.26 1.50 0.00 -0.81 0.00 0.00 175.30 174.78