#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkl n GLY 4 N 0.00 -1.80 3.97 0.62 0.00 -1.26 -4.87 105.19 101.85 1xkl n GLY 4 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1xkl n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkl s LYS 5 N -5.14 2.21 -0.34 1.61 1.02 -1.26 -4.74 119.74 113.10 1xkl s LYS 5 Ca 0.00 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.12 1xkl s LYS 5 Cb 0.00 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1xkl s LYS 5 CO 0.00 -1.04 0.19 -1.58 -0.92 0.00 0.00 175.35 172.00 1xkl s HIS 6 N -2.98 3.21 -0.25 3.18 5.65 -1.26 -1.34 115.29 121.51 1xkl s HIS 6 Ca 0.61 -0.71 -0.16 0.00 0.25 0.00 0.00 55.06 55.05 1xkl s HIS 6 Cb -0.09 -2.41 -0.04 0.00 -1.18 0.00 0.00 32.58 28.87 1xkl s HIS 6 CO 0.41 -0.54 0.41 -0.06 -0.65 0.00 0.00 174.74 174.31 1xkl s PHE 7 N 1.60 3.29 -0.36 3.88 0.08 0.25 -0.43 117.98 126.29 1xkl s PHE 7 Ca 0.04 0.52 -0.09 0.00 0.12 0.00 0.00 56.93 57.51 1xkl s PHE 7 Cb -0.18 -2.58 0.03 0.00 -0.57 0.00 0.00 43.02 39.72 1xkl s PHE 7 CO 0.07 -0.17 0.17 0.08 -0.10 0.00 0.00 175.22 175.27 1xkl s VAL 8 N 1.87 4.27 -0.23 -0.44 1.01 0.11 -0.87 120.40 126.13 1xkl s VAL 8 Ca 0.17 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1xkl s VAL 8 Cb -0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1xkl s VAL 8 CO 0.09 -0.21 0.31 -0.76 0.00 0.00 0.00 175.10 174.54 1xkl s LEU 9 N 1.50 4.12 -0.25 3.92 1.43 -0.06 -0.79 118.68 128.55 1xkl s LEU 9 Ca 0.01 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1xkl s LEU 9 Cb -0.19 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.70 1xkl s LEU 9 CO 0.05 -0.05 -0.09 -0.69 0.23 0.00 0.00 176.35 175.80 1xkl s VAL 10 N 1.37 2.55 1.01 -1.59 1.01 0.12 -3.53 120.40 121.34 1xkl s VAL 10 Ca 0.14 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1xkl s VAL 10 Cb -0.15 -2.34 0.19 0.00 0.00 0.00 0.00 36.38 34.09 1xkl s VAL 10 CO 0.07 0.16 1.09 -1.38 0.00 0.00 0.00 175.10 175.04 1xkl s HIS 11 N 1.25 2.08 0.00 5.22 -3.43 -1.26 -0.95 115.29 118.20 1xkl s HIS 11 Ca -0.02 0.97 0.00 0.00 -0.80 0.00 0.00 55.06 55.21 1xkl s HIS 11 Cb -0.17 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.71 1xkl s HIS 11 CO -0.06 -2.94 0.00 0.41 -2.00 0.00 0.00 174.74 170.16 1xkl n GLY 12 N -1.08 1.24 3.77 -1.38 0.00 -1.12 -3.46 105.19 103.16 1xkl n GLY 12 Ca 0.05 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 1xkl n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkl s ALA 13 N -2.46 3.45 0.00 4.61 0.00 -1.26 -2.67 121.76 123.43 1xkl s ALA 13 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1xkl s ALA 13 Cb -0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1xkl s ALA 13 CO 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 175.76 175.07 1xkl n HIS 15 N -2.06 -0.83 -3.55 0.00 -0.00 -1.09 -2.03 115.22 105.66 1xkl n HIS 15 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1xkl n HIS 15 Cb 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.03 1xkl n HIS 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xkl n GLY 16 N 5.00 1.36 0.43 -1.41 0.00 -1.26 -3.80 105.19 105.50 1xkl n GLY 16 Ca 0.00 -1.19 0.25 0.00 0.00 0.00 0.00 46.02 45.07 1xkl n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xkl h GLY 17 N 1.33 0.05 0.92 -0.02 0.00 -1.73 -0.84 103.07 102.78 1xkl h GLY 17 Ca -0.22 -0.01 0.15 0.00 0.00 0.00 0.00 47.33 47.25 1xkl h GLY 17 CO 0.28 0.00 0.39 0.11 0.00 0.00 0.00 176.54 177.33 1xkl h TRP 18 N 0.03 0.04 0.00 5.60 5.08 -1.88 -1.77 115.95 123.04 1xkl h TRP 18 Ca 0.36 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.33 1xkl h TRP 18 Cb 1.39 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 27.54 1xkl h TRP 18 CO -0.00 0.02 -0.00 0.66 -1.28 0.00 0.00 178.44 177.83 1xkl h SER 19 N 0.04 0.00 -0.38 0.11 4.64 -1.56 -1.21 113.55 115.19 1xkl h SER 19 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1xkl h SER 19 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1xkl h SER 19 CO -0.01 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.74 1xkl n TRP 20 N -3.55 0.76 0.17 4.77 7.02 -0.67 -4.50 117.44 121.44 1xkl n TRP 20 Ca -0.03 -0.32 0.10 0.00 -1.02 0.00 0.00 57.50 56.23 1xkl n TRP 20 Cb 0.08 -0.11 0.62 0.00 -2.42 0.00 0.00 31.31 29.48 1xkl n TRP 20 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 1xkl h TYR 21 N 2.34 0.07 0.06 -5.99 -0.00 -1.38 0.30 116.97 112.37 1xkl h TYR 21 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.47 1xkl h TYR 21 Cb 0.81 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.50 1xkl h TYR 21 CO 0.39 0.04 -1.28 0.87 -0.00 0.00 0.00 178.16 178.18 1xkl h LYS 22 N 0.07 0.13 0.10 0.10 1.57 -1.85 -3.37 116.57 113.32 1xkl h LYS 22 Ca 0.07 -0.22 -0.22 0.00 -1.87 0.00 0.00 60.65 58.41 1xkl h LYS 22 Cb 0.20 0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.61 1xkl h LYS 22 CO -0.01 1.01 -0.93 1.25 -0.57 0.00 0.00 179.45 180.21 1xkl h LEU 23 N 0.03 0.65 -0.64 2.94 5.85 -1.72 -3.38 115.31 119.05 1xkl h LEU 23 Ca -0.13 -0.85 0.11 0.00 0.84 0.00 0.00 57.88 57.85 1xkl h LEU 23 Cb 1.91 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.62 1xkl h LEU 23 CO 0.15 1.43 -0.30 0.50 -0.34 0.00 0.00 178.44 179.88 1xkl h LYS 24 N -0.05 -0.12 -0.88 1.25 3.64 -1.12 -0.78 116.57 118.51 1xkl h LYS 24 Ca -0.14 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1xkl h LYS 24 Cb 1.66 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.45 1xkl h LYS 24 CO 0.18 -0.08 0.58 -1.35 -2.27 0.00 0.00 179.45 176.50 1xkl h PRO 25 N -0.12 0.97 -0.44 1.90 0.11 -1.75 -1.90 132.00 130.76 1xkl h PRO 25 Ca 0.26 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1xkl h PRO 25 Cb 0.55 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1xkl h PRO 25 CO -0.71 0.64 0.24 -0.07 -0.21 0.00 0.00 178.00 177.90 1xkl h LEU 26 N 1.00 0.55 -0.54 2.35 4.07 -1.32 0.21 115.31 121.63 1xkl h LEU 26 Ca 0.38 -0.09 -0.12 0.00 0.08 0.00 0.00 57.88 58.13 1xkl h LEU 26 Cb 0.20 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1xkl h LEU 26 CO -0.14 0.48 -0.17 -0.07 -1.08 0.00 0.00 178.44 177.46 1xkl h LEU 27 N 0.58 1.01 -0.72 1.67 3.38 -1.11 -2.70 115.31 117.42 1xkl h LEU 27 Ca 0.16 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1xkl h LEU 27 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1xkl h LEU 27 CO -0.03 1.15 -0.34 -0.33 0.09 0.00 0.00 178.44 178.99 1xkl h GLU 28 N 0.87 0.59 -0.02 1.13 5.08 -1.13 -2.01 114.58 119.09 1xkl h GLU 28 Ca 0.12 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1xkl h GLU 28 Cb 0.75 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xkl h GLU 28 CO 0.06 0.85 -0.01 0.00 -1.00 0.00 0.00 179.01 178.91 1xkl h ALA 29 N 1.13 1.95 0.00 3.43 0.00 -0.38 0.16 119.26 125.55 1xkl h ALA 29 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xkl h ALA 29 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xkl h ALA 29 CO 0.07 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1xkl n ALA 30 N -2.53 2.61 -0.59 0.00 0.00 -0.80 -4.85 120.51 114.35 1xkl n ALA 30 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xkl n ALA 30 Cb 0.10 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1xkl n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xkl n GLY 31 N 0.84 0.66 3.85 0.00 0.00 0.55 -4.97 105.19 106.12 1xkl n GLY 31 Ca 0.19 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1xkl n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xkl s HIS 32 N -2.00 3.24 0.06 1.61 3.76 -0.92 -4.22 115.29 116.81 1xkl s HIS 32 Ca 0.00 -0.00 -0.16 0.00 -0.15 0.00 0.00 55.06 54.75 1xkl s HIS 32 Cb 0.00 -1.53 -0.06 0.00 1.11 0.00 0.00 32.58 32.09 1xkl s HIS 32 CO 0.00 0.51 0.49 0.21 -0.85 0.00 0.00 174.74 175.10 1xkl s LYS 33 N -3.32 4.01 -0.02 1.40 2.20 -0.45 -3.81 119.74 119.76 1xkl s LYS 33 Ca 0.32 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.48 1xkl s LYS 33 Cb -0.10 -3.16 -0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1xkl s LYS 33 CO 0.25 0.63 -0.08 0.08 -0.36 0.00 0.00 175.35 175.87 1xkl s VAL 34 N -1.18 0.67 -0.24 4.02 1.01 -1.26 -0.58 120.40 122.85 1xkl s VAL 34 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1xkl s VAL 34 Cb -0.17 -0.59 0.06 0.00 0.00 0.00 0.00 36.38 35.68 1xkl s VAL 34 CO 0.17 0.21 -0.03 -0.89 0.00 0.00 0.00 175.10 174.55 1xkl s THR 35 N 0.05 1.41 -1.04 3.92 2.01 -0.05 -4.97 115.64 116.96 1xkl s THR 35 Ca -0.00 -1.20 -0.07 0.00 0.31 0.00 0.00 61.69 60.73 1xkl s THR 35 Cb -0.06 -1.73 0.26 0.00 0.01 0.00 0.00 72.50 70.97 1xkl s THR 35 CO -0.00 -0.16 1.01 0.00 -0.69 0.00 0.00 174.62 174.77 1xkl s ALA 36 N 1.44 4.59 0.88 7.40 0.00 -1.26 -0.88 121.76 133.93 1xkl s ALA 36 Ca -0.04 -3.85 -0.12 0.00 0.00 0.00 0.00 51.96 47.95 1xkl s ALA 36 Cb -0.19 -3.32 0.12 0.00 0.00 0.00 0.00 23.12 19.73 1xkl s ALA 36 CO -0.07 -2.18 1.13 -0.48 0.00 0.00 0.00 175.76 174.15 1xkl s LEU 37 N -1.32 2.17 -0.18 0.00 2.34 -1.23 -4.38 118.68 116.09 1xkl s LEU 37 Ca 0.30 1.02 -0.05 0.00 0.06 0.00 0.00 54.13 55.46 1xkl s LEU 37 Cb -0.09 -3.42 -0.03 0.00 -0.56 0.00 0.00 46.19 42.09 1xkl s LEU 37 CO -0.10 -2.38 -0.01 -1.81 -1.06 0.00 0.00 176.35 170.99 1xkl s ASP 38 N -4.05 4.88 1.08 1.48 -0.00 -1.26 -2.96 116.67 115.84 1xkl s ASP 38 Ca 0.63 -0.14 -0.18 0.00 -0.00 0.00 0.00 52.55 52.86 1xkl s ASP 38 Cb -0.14 -1.82 0.26 0.00 -0.00 0.00 0.00 42.92 41.22 1xkl s ASP 38 CO 0.53 0.13 1.27 0.18 -0.00 0.00 0.00 175.17 177.28 1xkl n LEU 39 N 3.82 0.00 -4.78 1.23 4.77 -1.26 -4.77 117.00 116.01 1xkl n LEU 39 Ca -0.17 -1.38 -0.41 0.00 -0.03 0.00 0.00 56.01 54.02 1xkl n LEU 39 Cb 0.52 -1.03 -0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1xkl n LEU 39 CO 0.33 -1.70 1.11 0.00 -1.33 0.00 0.00 177.39 175.80 1xkl s ALA 40 N -3.66 3.55 -1.46 -1.18 0.00 -0.75 -2.42 121.76 115.83 1xkl s ALA 40 Ca 0.75 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1xkl s ALA 40 Cb -0.04 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1xkl s ALA 40 CO 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 175.76 175.30 1xkl n ALA 41 N 0.48 -0.51 -2.50 0.00 0.00 -1.26 -4.94 120.51 111.78 1xkl n ALA 41 Ca 0.01 0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 1xkl n ALA 41 Cb 0.40 -1.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.05 1xkl n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xkl s SER 42 N -2.16 2.57 1.90 0.00 0.01 -1.02 -4.77 113.70 110.24 1xkl s SER 42 Ca 0.00 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1xkl s SER 42 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1xkl s SER 42 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1xkl n GLY 43 N 0.72 4.11 1.21 3.44 0.00 -1.25 -1.29 105.19 112.14 1xkl n GLY 43 Ca -0.17 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1xkl n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xkl n THR 44 N 0.00 0.65 -1.78 2.61 -2.24 -1.26 -4.95 114.28 107.31 1xkl n THR 44 Ca 0.00 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 1xkl n THR 44 Cb 0.00 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1xkl n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xkl s ASP 45 N -1.34 6.42 0.00 3.42 2.15 -0.41 -4.89 116.67 122.02 1xkl s ASP 45 Ca 0.42 2.84 0.27 0.00 0.43 0.00 0.00 52.55 56.51 1xkl s ASP 45 Cb 0.24 -2.61 1.24 0.00 -0.30 0.00 0.00 42.92 41.49 1xkl s ASP 45 CO 0.32 -0.93 1.89 0.18 -0.17 0.00 0.00 175.17 176.46 1xkl n LEU 46 N 3.51 0.00 -4.78 -1.34 4.77 -1.26 -4.40 117.00 113.50 1xkl n LEU 46 Ca 0.13 0.40 -0.34 0.00 -0.03 0.00 0.00 56.01 56.18 1xkl n LEU 46 Cb 0.36 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1xkl n LEU 46 CO 0.63 -0.04 0.74 -0.13 -1.33 0.00 0.00 177.39 177.27 1xkl s ARG 47 N -2.81 3.25 0.08 3.23 0.52 -1.26 -5.00 118.95 116.97 1xkl s ARG 47 Ca 0.19 1.39 0.02 0.00 -0.52 0.00 0.00 55.73 56.81 1xkl s ARG 47 Cb 0.18 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 1xkl s ARG 47 CO 0.45 -0.89 0.15 0.15 0.02 0.00 0.00 175.30 175.18 1xkl s LYS 48 N -3.74 3.15 0.48 3.54 1.02 -1.26 -3.98 119.74 118.95 1xkl s LYS 48 Ca 0.68 -0.60 0.17 0.00 0.02 0.00 0.00 55.97 56.24 1xkl s LYS 48 Cb -0.19 -2.86 1.19 0.00 -0.52 0.00 0.00 37.83 35.44 1xkl s LYS 48 CO 0.33 0.57 2.03 0.97 -0.92 0.00 0.00 175.35 178.33 1xkl h ILE 49 N 2.26 0.88 0.00 2.17 6.09 -1.86 -0.38 117.51 126.67 1xkl h ILE 49 Ca -0.46 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1xkl h ILE 49 Cb 1.17 0.66 0.00 0.00 0.47 0.00 0.00 36.82 39.12 1xkl h ILE 49 CO 0.70 0.04 0.00 -0.62 -3.07 0.00 0.00 178.15 175.20 1xkl n GLU 50 N -4.46 0.05 0.00 2.19 4.71 -1.26 -1.76 120.64 120.11 1xkl n GLU 50 Ca 0.07 0.34 0.12 0.00 -0.01 0.00 0.00 57.16 57.68 1xkl n GLU 50 Cb 0.36 -1.60 0.28 0.00 -1.01 0.00 0.00 31.44 29.47 1xkl n GLU 50 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xkl n GLU 51 N -1.70 0.35 -4.07 3.49 1.02 -0.15 -4.83 120.64 114.75 1xkl n GLU 51 Ca 0.02 -0.21 -0.35 0.00 -0.02 0.00 0.00 57.16 56.60 1xkl n GLU 51 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.96 1xkl n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xkl s LEU 52 N -2.79 3.49 0.00 -4.62 1.43 -0.73 -4.96 118.68 110.50 1xkl s LEU 52 Ca 0.16 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1xkl s LEU 52 Cb 0.18 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1xkl s LEU 52 CO 0.64 0.11 0.10 -2.11 0.23 0.00 0.00 176.35 175.31 1xkl n ARG 53 N 3.96 4.66 -4.14 1.70 1.85 -1.26 -5.01 116.66 118.42 1xkl n ARG 53 Ca -0.17 -0.10 -0.10 0.00 -1.00 0.00 0.00 57.85 56.48 1xkl n ARG 53 Cb 0.52 -0.56 -0.10 0.00 -1.05 0.00 0.00 32.46 31.27 1xkl n ARG 53 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1xkl s THR 54 N -0.70 0.59 0.45 8.89 -4.23 -1.26 -4.52 115.64 114.87 1xkl s THR 54 Ca 0.00 -1.76 0.12 0.00 -1.18 0.00 0.00 61.69 58.87 1xkl s THR 54 Cb 0.00 -1.46 0.24 0.00 1.34 0.00 0.00 72.50 72.61 1xkl s THR 54 CO 0.00 -0.81 2.06 0.25 -0.54 0.00 0.00 174.62 175.58 1xkl h LEU 55 N 3.27 0.17 -0.71 4.79 5.85 -1.95 -2.20 115.31 124.54 1xkl h LEU 55 Ca -0.35 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1xkl h LEU 55 Cb 1.17 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1xkl h LEU 55 CO 0.61 0.19 0.38 0.22 -0.34 0.00 0.00 178.44 179.50 1xkl h TYR 56 N 0.19 0.97 -0.53 1.25 5.03 -1.97 -0.39 116.97 121.52 1xkl h TYR 56 Ca 0.05 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 1xkl h TYR 56 Cb 0.10 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.04 1xkl h TYR 56 CO 0.00 0.69 0.07 -0.44 -1.32 0.00 0.00 178.16 177.16 1xkl h ASP 57 N 0.97 0.80 0.25 -2.11 3.32 -1.82 -1.92 116.42 115.91 1xkl h ASP 57 Ca 0.25 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1xkl h ASP 57 Cb 0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1xkl h ASP 57 CO -0.04 0.83 -0.46 0.22 -1.72 0.00 0.00 179.24 178.07 1xkl h TYR 58 N 0.80 0.31 -0.01 4.55 3.20 -1.22 -3.12 116.97 121.48 1xkl h TYR 58 Ca 0.17 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1xkl h TYR 58 Cb 0.38 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1xkl h TYR 58 CO 0.02 0.67 -0.22 2.41 -1.64 0.00 0.00 178.16 179.40 1xkl n THR 59 N -3.99 0.00 -0.36 1.81 -1.04 -0.20 -1.80 114.28 108.70 1xkl n THR 59 Ca -0.02 -0.12 0.04 0.00 -2.04 0.00 0.00 64.05 61.91 1xkl n THR 59 Cb 0.51 0.31 0.10 0.00 -1.82 0.00 0.00 70.33 69.44 1xkl n THR 59 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1xkl n LEU 60 N -0.67 -0.44 -0.27 -4.42 7.94 -0.75 -0.59 117.00 117.79 1xkl n LEU 60 Ca 0.13 1.68 0.03 0.00 -1.11 0.00 0.00 56.01 56.74 1xkl n LEU 60 Cb 0.34 -0.47 0.16 0.00 0.53 0.00 0.00 43.42 43.98 1xkl n LEU 60 CO 0.25 -1.58 1.09 -0.65 -1.11 0.00 0.00 177.39 175.40 1xkl h PRO 61 N 0.00 0.64 -1.45 1.96 0.11 -1.85 -0.09 132.00 131.32 1xkl h PRO 61 Ca 0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1xkl h PRO 61 Cb 0.67 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1xkl h PRO 61 CO -0.99 0.42 0.00 -0.11 -0.21 0.00 0.00 178.00 177.11 1xkl n LEU 62 N -4.83 0.64 0.00 2.35 7.94 0.24 -1.72 117.00 121.62 1xkl n LEU 62 Ca 0.13 -0.32 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 1xkl n LEU 62 Cb 0.30 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.13 1xkl n LEU 62 CO 0.25 0.11 0.00 -0.62 -1.11 0.00 0.00 177.39 176.02 1xkl n GLU 64 N 0.78 0.00 0.00 1.96 1.02 -0.05 -4.63 120.64 119.72 1xkl n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xkl n GLU 64 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 1xkl n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1xkl n LEU 65 N 0.00 0.86 0.00 -4.62 7.94 -0.70 -2.86 117.00 117.63 1xkl n LEU 65 Ca 0.00 -0.43 0.00 0.00 -1.11 0.00 0.00 56.01 54.47 1xkl n LEU 65 Cb 0.00 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.75 1xkl n LEU 65 CO 0.00 0.16 0.00 -0.62 -1.11 0.00 0.00 177.39 175.82 1xkl n GLU 67 N 0.60 0.00 -0.00 1.96 1.02 -1.26 -3.22 120.64 119.74 1xkl n GLU 67 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1xkl n GLU 67 Cb 0.16 0.00 0.57 0.00 -0.02 0.00 0.00 31.44 32.14 1xkl n GLU 67 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xkl n SER 68 N 0.00 1.34 -4.75 1.62 7.64 -1.13 -4.88 113.62 113.45 1xkl n SER 68 Ca 0.00 -1.45 -0.40 0.00 1.01 0.00 0.00 58.87 58.02 1xkl n SER 68 Cb 0.00 -0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1xkl n SER 68 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xkl s LEU 69 N -1.99 4.57 0.00 -3.43 1.43 -1.20 -4.93 118.68 113.14 1xkl s LEU 69 Ca 0.39 2.17 0.09 0.00 -1.03 0.00 0.00 54.13 55.75 1xkl s LEU 69 Cb 0.21 -3.62 0.43 0.00 0.03 0.00 0.00 46.19 43.24 1xkl s LEU 69 CO 0.34 -0.09 1.23 -1.20 0.23 0.00 0.00 176.35 176.86 1xkl n SER 70 N 1.42 0.00 0.00 2.29 7.64 -1.26 -4.84 113.62 118.87 1xkl n SER 70 Ca -0.01 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1xkl n SER 70 Cb 0.45 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1xkl n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xkl n ALA 71 N -1.39 0.00 1.24 -0.43 0.00 -1.26 -4.36 120.51 114.31 1xkl n ALA 71 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1xkl n ALA 71 Cb 0.09 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.85 1xkl n ALA 71 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xkl n ASP 72 N 0.91 1.64 -4.10 0.00 3.85 -1.26 -4.62 116.55 112.97 1xkl n ASP 72 Ca 0.00 -1.34 -0.34 0.00 -0.71 0.00 0.00 54.79 52.39 1xkl n ASP 72 Cb 0.00 0.14 -0.13 0.00 -1.35 0.00 0.00 41.12 39.78 1xkl n ASP 72 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1xkl s GLU 73 N -2.28 1.94 0.40 0.11 2.12 -1.26 -5.10 118.70 114.62 1xkl s GLU 73 Ca 0.28 -1.73 -0.00 0.00 0.36 0.00 0.00 54.97 53.87 1xkl s GLU 73 Cb 0.20 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 1xkl s GLU 73 CO 0.45 -0.95 0.62 0.15 -0.54 0.00 0.00 175.26 174.99 1xkl s LYS 74 N 1.09 3.34 0.31 4.30 1.02 -1.26 -4.42 119.74 124.13 1xkl s LYS 74 Ca 0.06 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.76 1xkl s LYS 74 Cb -0.21 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1xkl s LYS 74 CO -0.05 -0.05 0.12 0.14 -0.92 0.00 0.00 175.35 174.59 1xkl s VAL 75 N -2.46 0.62 -0.23 3.17 -7.23 -0.27 -4.28 120.40 109.72 1xkl s VAL 75 Ca 0.44 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1xkl s VAL 75 Cb -0.10 -2.58 0.04 0.00 0.56 0.00 0.00 36.38 34.30 1xkl s VAL 75 CO 0.38 0.00 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.40 1xkl s ILE 76 N -3.51 2.25 -0.03 -0.62 1.01 0.43 -1.06 121.20 119.66 1xkl s ILE 76 Ca 0.34 -1.25 -0.22 0.00 0.00 0.00 0.00 60.65 59.53 1xkl s ILE 76 Cb 0.06 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1xkl s ILE 76 CO 0.15 0.24 0.64 -0.76 0.00 0.00 0.00 174.94 175.22 1xkl s LEU 77 N 1.22 4.37 -0.20 2.97 1.43 -1.02 -0.71 118.68 126.74 1xkl s LEU 77 Ca -0.02 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1xkl s LEU 77 Cb -0.17 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.11 1xkl s LEU 77 CO -0.08 -0.00 -0.05 -0.69 0.23 0.00 0.00 176.35 175.76 1xkl s VAL 78 N 0.28 1.32 -0.14 -1.59 1.01 0.03 0.05 120.40 121.35 1xkl s VAL 78 Ca 0.34 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1xkl s VAL 78 Cb -0.18 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1xkl s VAL 78 CO 0.18 0.00 -0.08 -0.83 0.00 0.00 0.00 175.10 174.37 1xkl s GLY 79 N 1.52 1.65 -0.09 4.51 0.00 0.45 0.11 107.32 115.46 1xkl s GLY 79 Ca -0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.85 1xkl s GLY 79 CO -0.07 -0.14 -0.06 -1.58 0.00 0.00 0.00 173.10 171.25 1xkl s HIS 80 N 0.31 2.96 0.00 1.90 5.65 -0.13 -0.76 115.29 125.23 1xkl s HIS 80 Ca -0.06 -0.06 0.00 0.00 0.25 0.00 0.00 55.06 55.19 1xkl s HIS 80 Cb -0.15 -1.76 0.00 0.00 -1.18 0.00 0.00 32.58 29.49 1xkl s HIS 80 CO 0.04 0.25 0.00 0.45 -0.65 0.00 0.00 174.74 174.83 1xkl n SER 81 N 2.51 0.00 0.13 9.88 2.88 -1.06 0.59 113.62 128.55 1xkl n SER 81 Ca -0.18 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 1xkl n SER 81 Cb 0.53 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.47 1xkl n SER 81 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xkl n LEU 82 N 0.00 0.51 0.29 2.46 7.94 -1.26 -1.48 117.00 125.45 1xkl n LEU 82 Ca 0.00 0.69 0.15 0.00 -1.11 0.00 0.00 56.01 55.74 1xkl n LEU 82 Cb 0.00 -0.71 0.87 0.00 0.53 0.00 0.00 43.42 44.11 1xkl n LEU 82 CO 0.00 -0.76 1.08 1.23 -1.11 0.00 0.00 177.39 177.83 1xkl h GLY 83 N 0.80 0.00 -2.45 -3.96 0.00 0.12 -3.24 103.07 94.34 1xkl h GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xkl h GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1xkl n GLY 84 N -1.10 0.29 1.16 4.60 0.00 -0.93 -0.98 105.19 108.23 1xkl n GLY 84 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1xkl n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xkl n ASN 86 N 1.19 0.00 -0.28 1.61 4.13 -1.22 -2.67 115.26 118.02 1xkl n ASN 86 Ca 0.00 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.31 1xkl n ASN 86 Cb 0.04 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 38.55 1xkl n ASN 86 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1xkl h LEU 87 N 0.00 0.85 -1.07 3.41 4.07 -1.39 -2.57 115.31 118.62 1xkl h LEU 87 Ca 0.00 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.04 1xkl h LEU 87 Cb 0.00 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 41.50 1xkl h LEU 87 CO 0.00 0.54 0.62 1.23 -1.08 0.00 0.00 178.44 179.75 1xkl h GLY 88 N 0.96 1.45 1.44 0.83 0.00 -1.79 -1.87 103.07 104.09 1xkl h GLY 88 Ca 0.39 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 1xkl h GLY 88 CO -0.15 0.31 -0.29 1.41 0.00 0.00 0.00 176.54 177.82 1xkl h LEU 89 N 1.10 0.66 -1.56 3.11 4.07 -1.79 -0.51 115.31 120.37 1xkl h LEU 89 Ca 0.42 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1xkl h LEU 89 Cb 0.21 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1xkl h LEU 89 CO -0.17 0.91 0.00 0.00 -1.08 0.00 0.00 178.44 178.10 1xkl n ALA 90 N -2.50 1.81 0.00 1.53 0.00 -0.70 -1.55 120.51 119.10 1xkl n ALA 90 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xkl n ALA 90 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1xkl n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xkl n GLU 92 N 0.56 0.00 0.03 0.00 4.07 -0.20 -0.04 120.64 125.06 1xkl n GLU 92 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 1xkl n GLU 92 Cb 0.17 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.41 1xkl n GLU 92 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1xkl h LYS 93 N 0.00 0.13 -1.97 5.31 1.79 -1.55 -3.41 116.57 116.87 1xkl h LYS 93 Ca 0.00 -0.21 -0.51 0.00 -2.18 0.00 0.00 60.65 57.75 1xkl h LYS 93 Cb 0.00 0.08 -0.41 0.00 -1.58 0.00 0.00 32.23 30.32 1xkl h LYS 93 CO 0.00 0.89 -1.00 0.66 -1.08 0.00 0.00 179.45 178.93 1xkl n TYR 94 N -3.30 1.69 -0.13 -1.35 4.01 0.94 -4.94 117.16 114.08 1xkl n TYR 94 Ca -0.16 -3.74 0.02 0.00 -0.16 0.00 0.00 57.90 53.87 1xkl n TYR 94 Cb 1.03 -0.42 0.31 0.00 -0.31 0.00 0.00 39.34 39.96 1xkl n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xkl h PRO 95 N 2.97 0.80 0.00 -0.72 0.13 -1.79 -2.67 132.00 130.72 1xkl h PRO 95 Ca 0.10 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1xkl h PRO 95 Cb 0.84 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1xkl h PRO 95 CO 0.62 0.54 0.00 0.00 -0.23 0.00 0.00 178.00 178.93 1xkl n GLN 96 N -4.43 0.85 -0.52 0.86 0.00 -1.26 -3.10 117.38 109.78 1xkl n GLN 96 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 57.00 57.15 1xkl n GLN 96 Cb 0.05 -1.50 0.29 0.00 0.00 0.00 0.00 30.24 29.08 1xkl n GLN 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xkl n LYS 97 N -1.04 3.29 -3.88 2.61 5.02 -1.01 -4.92 118.16 118.24 1xkl n LYS 97 Ca 0.21 -2.88 -0.27 0.00 -2.02 0.00 0.00 58.31 53.35 1xkl n LYS 97 Cb 0.12 -1.91 -0.17 0.00 -0.02 0.00 0.00 35.03 33.05 1xkl n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xkl s ILE 98 N -2.75 0.95 0.17 -0.18 1.01 -1.18 -1.11 121.20 118.10 1xkl s ILE 98 Ca 0.44 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 1xkl s ILE 98 Cb 0.35 -1.06 0.05 0.00 0.01 0.00 0.00 42.46 41.81 1xkl s ILE 98 CO 0.11 0.26 1.64 1.88 0.00 0.00 0.00 174.94 178.83 1xkl h TYR 99 N 8.18 1.04 -1.99 3.97 -1.99 -1.41 -3.46 116.97 121.31 1xkl h TYR 99 Ca -0.26 -0.16 0.12 0.00 2.00 0.00 0.00 58.73 60.42 1xkl h TYR 99 Cb 1.12 -0.28 -0.18 0.00 2.00 0.00 0.00 36.73 39.40 1xkl h TYR 99 CO 0.46 0.92 0.55 0.00 -0.00 0.00 0.00 178.16 180.09 1xkl s ALA 100 N -5.12 -1.88 -0.17 3.88 0.00 -1.26 -4.58 121.76 112.63 1xkl s ALA 100 Ca -0.12 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 1xkl s ALA 100 Cb 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 1xkl s ALA 100 CO 0.83 -0.58 -0.11 0.00 0.00 0.00 0.00 175.76 175.91 1xkl s ALA 101 N -2.50 2.65 -0.19 0.00 0.00 0.31 -2.43 121.76 119.61 1xkl s ALA 101 Ca 0.04 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1xkl s ALA 101 Cb -0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1xkl s ALA 101 CO -0.06 -0.09 0.00 0.08 0.00 0.00 0.00 175.76 175.70 1xkl s VAL 102 N 0.90 4.06 -0.43 0.00 1.01 0.11 -0.57 120.40 125.48 1xkl s VAL 102 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1xkl s VAL 102 Cb -0.15 -2.83 0.10 0.00 0.00 0.00 0.00 36.38 33.50 1xkl s VAL 102 CO -0.00 0.44 0.27 -0.36 0.00 0.00 0.00 175.10 175.45 1xkl s PHE 103 N 0.82 3.42 -0.46 5.22 0.40 0.14 -0.41 117.98 127.10 1xkl s PHE 103 Ca 0.01 -1.85 -0.21 0.00 -0.60 0.00 0.00 56.93 54.28 1xkl s PHE 103 Cb -0.14 -3.18 0.03 0.00 0.51 0.00 0.00 43.02 40.24 1xkl s PHE 103 CO 0.02 -0.93 0.70 -1.17 0.70 0.00 0.00 175.22 174.55 1xkl s LEU 104 N 1.34 4.48 -1.37 -0.37 2.96 0.07 -0.98 118.68 124.81 1xkl s LEU 104 Ca 0.05 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1xkl s LEU 104 Cb -0.24 -2.75 0.04 0.00 0.50 0.00 0.00 46.19 43.74 1xkl s LEU 104 CO -0.00 -0.88 0.10 0.00 -1.32 0.00 0.00 176.35 174.25 1xkl n ALA 105 N 6.48 -1.69 -2.37 5.97 0.00 -0.67 -2.57 120.51 125.68 1xkl n ALA 105 Ca -0.01 -0.32 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 1xkl n ALA 105 Cb 0.47 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.97 1xkl n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkl s ALA 106 N -3.92 4.53 0.54 0.00 0.00 -1.26 -2.97 121.76 118.69 1xkl s ALA 106 Ca 0.14 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 50.90 1xkl s ALA 106 Cb -0.08 -0.80 0.09 0.00 0.00 0.00 0.00 23.12 22.33 1xkl s ALA 106 CO 0.85 -0.53 0.73 1.19 0.00 0.00 0.00 175.76 178.00 1xkl n PHE 107 N -1.86 -2.50 -4.00 0.00 0.99 -0.55 -4.86 117.46 104.67 1xkl n PHE 107 Ca -0.00 -1.79 -0.13 0.00 -0.00 0.00 0.00 57.45 55.53 1xkl n PHE 107 Cb 0.64 -0.51 -0.02 0.00 -1.00 0.00 0.00 39.48 38.59 1xkl n PHE 107 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1xkl s PRO 109 N -4.39 2.07 0.19 -1.08 0.02 -1.26 -4.07 135.00 126.49 1xkl s PRO 109 Ca 0.54 -1.71 0.04 0.00 0.02 0.00 0.00 61.00 59.89 1xkl s PRO 109 Cb -0.04 0.50 -0.02 0.00 0.02 0.00 0.00 34.50 34.97 1xkl s PRO 109 CO 0.35 -0.90 0.15 -0.40 -0.33 0.00 0.00 177.00 175.87 1xkl n ASP 110 N -1.54 -0.26 -0.05 2.53 3.85 -1.26 -5.05 116.55 114.77 1xkl n ASP 110 Ca -0.02 -2.24 0.00 0.00 -0.71 0.00 0.00 54.79 51.82 1xkl n ASP 110 Cb 0.61 0.92 -0.13 0.00 -1.35 0.00 0.00 41.12 41.16 1xkl n ASP 110 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1xkl n SER 111 N -2.21 0.91 0.09 -1.12 3.41 -1.26 -4.69 113.62 108.75 1xkl n SER 111 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 1xkl n SER 111 Cb 0.34 1.34 -0.08 0.00 -0.26 0.00 0.00 64.21 65.55 1xkl n SER 111 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xkl h VAL 112 N 0.00 0.93 -2.68 -3.33 2.07 -1.98 -3.46 116.25 107.80 1xkl h VAL 112 Ca -0.24 -0.74 -0.46 0.00 0.82 0.00 0.00 66.70 66.08 1xkl h VAL 112 Cb 1.45 1.36 0.11 0.00 -1.52 0.00 0.00 31.29 32.69 1xkl h VAL 112 CO 0.01 0.16 0.21 -1.00 0.02 0.00 0.00 177.57 176.98 1xkl s HIS 113 N -4.59 1.45 0.59 1.57 3.76 -1.26 -5.04 115.29 111.77 1xkl s HIS 113 Ca -0.14 -0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 54.44 1xkl s HIS 113 Cb 0.02 -3.37 -0.03 0.00 1.11 0.00 0.00 32.58 30.31 1xkl s HIS 113 CO 0.59 -2.09 1.32 -0.80 -0.85 0.00 0.00 174.74 172.91 1xkl s ASN 114 N -4.82 5.00 0.59 1.40 -0.87 -1.26 -4.86 114.94 110.12 1xkl s ASN 114 Ca 0.70 2.67 0.29 0.00 -1.57 0.00 0.00 52.86 54.95 1xkl s ASN 114 Cb -0.04 -2.63 1.64 0.00 -0.02 0.00 0.00 41.25 40.20 1xkl s ASN 114 CO 0.48 -1.75 2.07 0.28 -2.57 0.00 0.00 177.10 175.61 1xkl h SER 115 N 1.04 0.00 0.11 -1.22 0.02 -1.76 0.21 113.55 111.95 1xkl h SER 115 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1xkl h SER 115 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1xkl h SER 115 CO 0.55 0.00 -0.05 -1.54 -1.14 0.00 0.00 176.83 174.65 1xkl n SER 116 N -3.77 0.83 -0.34 3.07 3.41 -0.95 -4.53 113.62 111.34 1xkl n SER 116 Ca 0.02 -1.09 -0.09 0.00 -0.26 0.00 0.00 58.87 57.45 1xkl n SER 116 Cb 0.37 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 1xkl n SER 116 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1xkl h PHE 117 N 1.23 -1.59 0.00 7.33 3.57 -0.89 0.16 116.94 126.75 1xkl h PHE 117 Ca 0.00 0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1xkl h PHE 117 Cb 0.34 0.80 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1xkl h PHE 117 CO 0.00 -0.31 -0.14 -0.39 -2.23 0.00 0.00 178.31 175.24 1xkl h VAL 118 N -0.01 1.09 -0.19 1.41 -1.51 -1.82 0.38 116.25 115.60 1xkl h VAL 118 Ca 0.13 -0.48 -0.20 0.00 -1.23 0.00 0.00 66.70 64.93 1xkl h VAL 118 Cb 0.35 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1xkl h VAL 118 CO -0.78 0.14 -0.67 -0.07 -1.23 0.00 0.00 177.57 174.96 1xkl h LEU 119 N 0.00 0.83 -0.38 4.19 3.38 -1.36 -0.74 115.31 121.24 1xkl h LEU 119 Ca -0.00 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 1xkl h LEU 119 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xkl h LEU 119 CO 0.02 1.28 -0.06 -0.33 0.09 0.00 0.00 178.44 179.43 1xkl h GLU 120 N 0.52 0.71 -0.07 1.13 5.08 -0.06 -2.28 114.58 119.60 1xkl h GLU 120 Ca -0.02 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1xkl h GLU 120 Cb 1.27 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1xkl h GLU 120 CO 0.13 0.84 0.03 1.96 -1.00 0.00 0.00 179.01 180.97 1xkl h GLN 121 N 0.51 0.12 -0.50 2.33 1.08 -0.92 -1.65 115.11 116.08 1xkl h GLN 121 Ca 0.10 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.38 1xkl h GLN 121 Cb 0.56 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.87 1xkl h GLN 121 CO 0.03 0.27 -0.23 -0.92 -0.95 0.00 0.00 178.83 177.03 1xkl h TYR 122 N -0.06 -0.57 -0.27 2.96 3.20 -1.05 -0.40 116.97 120.77 1xkl h TYR 122 Ca 0.02 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1xkl h TYR 122 Cb 0.20 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1xkl h TYR 122 CO -0.01 -0.31 0.01 -0.91 -1.64 0.00 0.00 178.16 175.30 1xkl h ASN 123 N -0.11 0.38 0.89 -2.11 2.35 -1.27 -2.28 115.58 113.43 1xkl h ASN 123 Ca 0.23 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1xkl h ASN 123 Cb 0.48 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1xkl h ASN 123 CO -0.57 0.43 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.18 1xkl h GLU 124 N 0.40 0.00 -0.15 0.81 5.08 -0.10 -2.84 114.58 117.78 1xkl h GLU 124 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1xkl h GLU 124 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1xkl h GLU 124 CO 0.01 0.14 -0.29 2.89 -1.00 0.00 0.00 179.01 180.75 1xkl n ARG 125 N -3.31 1.71 -3.74 2.33 0.00 -0.81 -4.92 116.66 107.92 1xkl n ARG 125 Ca 0.00 -3.20 -0.28 0.00 -0.00 0.00 0.00 57.85 54.37 1xkl n ARG 125 Cb 0.36 -1.70 -0.16 0.00 -0.00 0.00 0.00 32.46 30.97 1xkl n ARG 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1xkl s THR 126 N -3.21 0.59 0.45 8.89 2.01 -0.91 -5.04 115.64 118.43 1xkl s THR 126 Ca 0.40 -0.65 -0.25 0.00 0.31 0.00 0.00 61.69 61.51 1xkl s THR 126 Cb 0.38 -1.11 -0.08 0.00 0.01 0.00 0.00 72.50 71.70 1xkl s THR 126 CO -0.03 -0.24 1.40 -2.16 -0.69 0.00 0.00 174.62 172.90 1xkl s PRO 127 N 1.82 3.69 0.00 4.92 0.04 -1.26 -4.83 135.00 139.37 1xkl s PRO 127 Ca -0.01 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1xkl s PRO 127 Cb -0.17 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1xkl s PRO 127 CO -0.09 -0.79 0.90 0.00 0.04 0.00 0.00 177.00 177.05 1xkl n ALA 128 N -0.22 0.90 1.01 8.56 0.00 -1.26 -0.79 120.51 128.72 1xkl n ALA 128 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1xkl n ALA 128 Cb 0.42 -0.87 0.09 0.00 0.00 0.00 0.00 19.45 19.09 1xkl n ALA 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xkl n GLU 129 N -1.40 0.08 0.17 0.00 1.02 -1.26 -3.89 120.64 115.36 1xkl n GLU 129 Ca 0.00 -0.05 0.14 0.00 -0.02 0.00 0.00 57.16 57.22 1xkl n GLU 129 Cb 0.06 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.50 1xkl n GLU 129 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1xkl h ASN 130 N 0.13 0.00 1.71 1.62 -1.24 -1.32 -2.95 115.58 113.53 1xkl h ASN 130 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1xkl h ASN 130 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1xkl h ASN 130 CO 0.00 0.00 0.00 -0.50 -1.29 0.00 0.00 177.43 175.64 1xkl h TRP 131 N 0.00 0.00 0.00 0.67 4.06 -1.73 -3.49 115.95 115.46 1xkl h TRP 131 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1xkl h TRP 131 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1xkl h TRP 131 CO 0.00 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.16 1xkl n LEU 132 N -2.83 0.00 -1.32 -4.49 4.77 -1.12 -1.09 117.00 110.92 1xkl n LEU 132 Ca 0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1xkl n LEU 132 Cb 0.47 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.76 1xkl n LEU 132 CO 0.32 0.00 0.64 -0.90 -1.33 0.00 0.00 177.39 176.12 1xkl n ASP 133 N 5.53 3.55 -4.76 -1.43 3.85 -1.26 -4.94 116.55 117.09 1xkl n ASP 133 Ca 0.00 -2.56 -0.41 0.00 -0.71 0.00 0.00 54.79 51.11 1xkl n ASP 133 Cb 0.00 -0.62 -0.03 0.00 -1.35 0.00 0.00 41.12 39.12 1xkl n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1xkl s THR 134 N -1.93 3.08 -0.22 2.12 2.01 -0.25 -3.89 115.64 116.56 1xkl s THR 134 Ca 0.30 1.06 -0.10 0.00 0.31 0.00 0.00 61.69 63.26 1xkl s THR 134 Cb 0.23 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1xkl s THR 134 CO 0.08 0.24 0.13 -1.10 -0.69 0.00 0.00 174.62 173.28 1xkl s GLN 135 N -1.42 4.05 -0.35 4.92 -0.21 0.07 -4.92 119.66 121.81 1xkl s GLN 135 Ca 0.48 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.58 1xkl s GLN 135 Cb -0.36 -3.43 0.09 0.00 1.00 0.00 0.00 33.01 30.30 1xkl s GLN 135 CO 0.46 0.14 0.07 -0.06 -2.12 0.00 0.00 175.29 173.79 1xkl s PHE 136 N 0.81 3.55 0.00 0.91 0.08 -1.26 -0.96 117.98 121.11 1xkl s PHE 136 Ca 0.07 -2.50 0.06 0.00 0.12 0.00 0.00 56.93 54.68 1xkl s PHE 136 Cb -0.13 -2.75 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 1xkl s PHE 136 CO 0.02 -0.92 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.53 1xkl s LEU 137 N 1.08 2.56 0.17 -0.37 1.43 -0.88 -4.92 118.68 117.75 1xkl s LEU 137 Ca 0.04 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 1xkl s LEU 137 Cb -0.21 -1.50 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 1xkl s LEU 137 CO -0.05 0.30 0.74 -2.16 0.23 0.00 0.00 176.35 175.40 1xkl s PRO 138 N -1.07 4.43 -0.00 1.29 0.04 -1.26 0.25 135.00 138.68 1xkl s PRO 138 Ca 0.13 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1xkl s PRO 138 Cb -0.10 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1xkl s PRO 138 CO 0.03 0.53 0.53 2.48 0.04 0.00 0.00 177.00 180.60 1xkl n TYR 139 N 1.36 0.00 -3.94 0.56 4.11 -0.10 -4.92 117.16 114.23 1xkl n TYR 139 Ca -0.05 -0.01 -0.31 0.00 -0.00 0.00 0.00 57.90 57.53 1xkl n TYR 139 Cb 0.50 -0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.79 1xkl n TYR 139 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1xkl s GLY 140 N -0.06 2.15 0.87 -7.48 0.00 -1.12 -4.86 107.32 96.81 1xkl s GLY 140 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 44.72 43.74 1xkl s GLY 140 CO 0.00 -0.85 1.12 -1.35 0.00 0.00 0.00 173.10 172.02 1xkl s SER 141 N -2.52 3.50 0.45 1.64 1.04 -0.76 -4.55 113.70 112.50 1xkl s SER 141 Ca 0.34 1.99 0.24 0.00 0.48 0.00 0.00 55.95 59.00 1xkl s SER 141 Cb -0.13 -2.52 1.25 0.00 0.10 0.00 0.00 66.02 64.72 1xkl s SER 141 CO 0.27 -2.71 1.81 1.55 0.98 0.00 0.00 173.24 175.14 1xkl h PRO 142 N -1.59 0.25 -0.01 4.02 0.13 -2.01 0.51 132.00 133.30 1xkl h PRO 142 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xkl h PRO 142 Cb 1.26 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xkl h PRO 142 CO 0.46 0.16 -0.49 -1.91 -0.23 0.00 0.00 178.00 175.99 1xkl n GLU 143 N -4.46 0.79 -3.54 0.86 4.07 -1.26 -4.56 120.64 112.54 1xkl n GLU 143 Ca 0.24 -0.59 -0.28 0.00 -0.06 0.00 0.00 57.16 56.47 1xkl n GLU 143 Cb 0.95 -1.49 -0.11 0.00 -0.06 0.00 0.00 31.44 30.73 1xkl n GLU 143 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1xkl s GLU 144 N -2.62 1.20 0.24 5.31 0.41 0.16 -5.12 118.70 118.28 1xkl s GLU 144 Ca 0.18 -2.23 -0.30 0.00 -0.41 0.00 0.00 54.97 52.21 1xkl s GLU 144 Cb 0.18 -1.89 -0.10 0.00 -1.78 0.00 0.00 34.13 30.54 1xkl s GLU 144 CO 0.61 -1.32 1.48 -1.25 -0.49 0.00 0.00 175.26 174.29 1xkl s PRO 145 N -0.06 4.25 -0.10 0.39 0.04 -1.17 -1.82 135.00 136.52 1xkl s PRO 145 Ca 0.28 2.33 -0.07 0.00 0.04 0.00 0.00 61.00 63.58 1xkl s PRO 145 Cb -0.05 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.41 1xkl s PRO 145 CO -0.14 -0.47 0.25 -0.51 0.04 0.00 0.00 177.00 176.17 1xkl s LEU 146 N -0.11 0.80 -0.03 -3.56 1.43 -1.26 -4.80 118.68 111.16 1xkl s LEU 146 Ca 0.62 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 54.27 1xkl s LEU 146 Cb -0.43 0.81 -0.01 0.00 0.03 0.00 0.00 46.19 46.60 1xkl s LEU 146 CO 0.41 -0.12 -0.17 -0.89 0.23 0.00 0.00 176.35 175.82 1xkl s THR 147 N 0.57 1.37 0.00 5.49 2.01 -1.26 -0.92 115.64 122.89 1xkl s THR 147 Ca -0.04 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1xkl s THR 147 Cb -0.05 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1xkl s THR 147 CO -0.03 0.39 0.00 -1.54 -0.69 0.00 0.00 174.62 172.75 1xkl n SER 148 N 2.90 0.43 0.00 3.53 3.41 0.14 -4.52 113.62 119.51 1xkl n SER 148 Ca -0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1xkl n SER 148 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1xkl n SER 148 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1xkl n PHE 150 N -0.00 0.00 -1.72 7.33 7.35 -0.13 -2.07 117.46 128.21 1xkl n PHE 150 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1xkl n PHE 150 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1xkl n PHE 150 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1xkl n PHE 151 N 0.00 2.52 -3.13 -5.13 3.72 -1.26 -0.75 117.46 113.43 1xkl n PHE 151 Ca 0.00 0.51 -0.18 0.00 -0.05 0.00 0.00 57.45 57.72 1xkl n PHE 151 Cb 0.00 -2.46 0.01 0.00 -0.94 0.00 0.00 39.48 36.09 1xkl n PHE 151 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xkl s GLY 152 N -0.21 1.81 0.26 1.37 0.00 -1.25 -4.84 107.32 104.46 1xkl s GLY 152 Ca 0.55 -1.55 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1xkl s GLY 152 CO 0.62 -1.39 1.91 -0.56 0.00 0.00 0.00 173.10 173.68 1xkl h PRO 153 N 0.66 1.25 -0.15 2.90 0.13 -1.95 -1.86 132.00 132.99 1xkl h PRO 153 Ca -0.42 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1xkl h PRO 153 Cb 1.27 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1xkl h PRO 153 CO 0.49 0.83 0.04 0.87 -0.23 0.00 0.00 178.00 179.99 1xkl h LYS 154 N 1.29 0.24 -0.87 0.86 1.79 -1.95 -1.43 116.57 116.50 1xkl h LYS 154 Ca 0.39 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.86 1xkl h LYS 154 Cb -0.03 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.53 1xkl h LYS 154 CO -0.12 0.40 0.55 0.35 -1.08 0.00 0.00 179.45 179.55 1xkl h PHE 155 N 0.05 1.02 -0.17 -1.35 3.04 -1.77 0.42 116.94 118.17 1xkl h PHE 155 Ca 0.05 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1xkl h PHE 155 Cb 0.26 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1xkl h PHE 155 CO 0.01 0.54 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.77 1xkl h LEU 156 N 1.02 0.30 -0.71 0.59 3.38 -1.19 -0.46 115.31 118.23 1xkl h LEU 156 Ca 0.37 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1xkl h LEU 156 Cb 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xkl h LEU 156 CO -0.16 0.54 -0.34 0.00 0.09 0.00 0.00 178.44 178.57 1xkl h ALA 157 N 0.77 0.89 0.00 1.53 0.00 -0.78 0.63 119.26 122.30 1xkl h ALA 157 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xkl h ALA 157 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xkl h ALA 157 CO 0.01 0.63 -1.57 0.72 0.00 0.00 0.00 179.25 179.04 1xkl n HIS 158 N -4.06 0.00 -0.00 0.00 8.25 0.10 -2.75 115.22 116.75 1xkl n HIS 158 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1xkl n HIS 158 Cb 0.48 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 1xkl n HIS 158 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xkl n LYS 159 N -1.94 0.09 -0.01 -0.41 4.76 -0.20 -4.70 118.16 115.74 1xkl n LYS 159 Ca -0.01 -0.01 -0.02 0.00 -2.87 0.00 0.00 58.31 55.40 1xkl n LYS 159 Cb 0.44 -1.04 -0.01 0.00 -1.84 0.00 0.00 35.03 32.58 1xkl n LYS 159 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xkl n LEU 160 N -1.56 2.86 -0.80 -0.35 4.77 -0.92 -1.09 117.00 119.90 1xkl n LEU 160 Ca -0.00 -0.01 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1xkl n LEU 160 Cb 0.05 -0.08 0.22 0.00 -2.33 0.00 0.00 43.42 41.28 1xkl n LEU 160 CO 0.03 0.52 0.67 -1.22 -1.33 0.00 0.00 177.39 176.06 1xkl n TYR 161 N -2.55 0.78 0.33 -1.77 4.02 0.21 -3.47 117.16 114.71 1xkl n TYR 161 Ca -0.04 -1.12 0.19 0.00 -0.01 0.00 0.00 57.90 56.92 1xkl n TYR 161 Cb 0.55 -0.33 1.01 0.00 -0.02 0.00 0.00 39.34 40.55 1xkl n TYR 161 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1xkl h GLN 162 N 1.21 0.00 -0.15 -0.72 -0.00 -1.71 -0.29 115.11 113.45 1xkl h GLN 162 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1xkl h GLN 162 Cb 1.41 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.89 1xkl h GLN 162 CO 0.22 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.33 1xkl n LEU 163 N -3.02 2.24 -4.97 0.06 4.77 -1.26 -5.02 117.00 109.79 1xkl n LEU 163 Ca -0.02 -1.65 -0.22 0.00 -0.03 0.00 0.00 56.01 54.10 1xkl n LEU 163 Cb 0.23 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1xkl n LEU 163 CO 0.17 0.53 0.38 0.00 -1.33 0.00 0.00 177.39 177.15 1xkl s SER 165 N -4.43 4.77 0.53 0.00 1.04 -1.26 -4.93 113.70 109.43 1xkl s SER 165 Ca 0.57 1.33 0.30 0.00 0.48 0.00 0.00 55.95 58.64 1xkl s SER 165 Cb -0.10 -2.10 1.46 0.00 0.10 0.00 0.00 66.02 65.37 1xkl s SER 165 CO 0.39 -1.80 2.04 1.55 0.98 0.00 0.00 173.24 176.41 1xkl h PRO 166 N -0.97 0.00 -0.22 4.02 0.13 -1.98 -2.61 132.00 130.38 1xkl h PRO 166 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 1xkl h PRO 166 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xkl h PRO 166 CO 0.59 0.10 -0.22 0.93 -0.23 0.00 0.00 178.00 179.17 1xkl h GLU 167 N 0.00 0.53 -0.21 0.86 3.07 -1.99 -1.94 114.58 114.90 1xkl h GLU 167 Ca -0.00 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.36 58.50 1xkl h GLU 167 Cb 0.41 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1xkl h GLU 167 CO 0.01 0.87 -0.19 -0.44 -1.40 0.00 0.00 179.01 177.87 1xkl h ASP 168 N 0.22 0.36 -0.29 1.42 5.19 -1.84 -0.05 116.42 121.41 1xkl h ASP 168 Ca 0.03 -0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.29 1xkl h ASP 168 Cb 0.77 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 1xkl h ASP 168 CO 0.05 0.56 -0.05 0.25 -3.12 0.00 0.00 179.24 176.94 1xkl h LEU 169 N 0.34 0.55 -1.12 1.55 5.85 -1.46 0.32 115.31 121.34 1xkl h LEU 169 Ca 0.06 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1xkl h LEU 169 Cb 0.52 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1xkl h LEU 169 CO 0.03 0.77 0.54 0.00 -0.34 0.00 0.00 178.44 179.45 1xkl h ALA 170 N 0.80 1.35 0.08 1.25 0.00 -0.87 0.39 119.26 122.26 1xkl h ALA 170 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xkl h ALA 170 Cb 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xkl h ALA 170 CO 0.03 0.58 -0.04 1.25 0.00 0.00 0.00 179.25 181.07 1xkl h LEU 171 N 1.17 -0.09 -0.68 0.00 5.85 -0.76 -2.87 115.31 117.93 1xkl h LEU 171 Ca 0.31 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1xkl h LEU 171 Cb -0.10 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1xkl h LEU 171 CO -0.06 0.25 0.43 0.00 -0.34 0.00 0.00 178.44 178.72 1xkl h ALA 172 N 0.43 0.88 -0.30 1.25 0.00 -0.58 -2.29 119.26 118.65 1xkl h ALA 172 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xkl h ALA 172 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xkl h ALA 172 CO 0.02 0.20 0.20 0.77 0.00 0.00 0.00 179.25 180.44 1xkl h SER 173 N 0.84 0.27 0.19 0.00 0.02 -0.91 0.14 113.55 114.10 1xkl h SER 173 Ca 0.27 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1xkl h SER 173 Cb 0.01 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1xkl h SER 173 CO -0.10 0.19 -0.16 -1.54 -1.14 0.00 0.00 176.83 174.08 1xkl n SER 174 N -4.49 1.00 0.00 3.07 3.41 -0.89 -4.29 113.62 111.44 1xkl n SER 174 Ca 0.02 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1xkl n SER 174 Cb 0.14 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1xkl n SER 174 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xkl n LEU 175 N -0.52 0.00 -4.78 1.04 4.77 -0.62 -5.06 117.00 111.84 1xkl n LEU 175 Ca 0.15 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 1xkl n LEU 175 Cb 0.33 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1xkl n LEU 175 CO 0.23 0.00 1.12 0.68 -1.33 0.00 0.00 177.39 178.09 1xkl s VAL 176 N -1.46 2.11 0.20 4.08 -7.23 -0.06 -4.80 120.40 113.24 1xkl s VAL 176 Ca 0.00 0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.33 1xkl s VAL 176 Cb 0.00 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 1xkl s VAL 176 CO 0.00 0.03 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.63 1xkl s ARG 177 N -2.04 1.23 0.45 4.82 0.52 -0.86 -5.05 118.95 118.02 1xkl s ARG 177 Ca 0.53 -1.58 -0.24 0.00 -0.52 0.00 0.00 55.73 53.92 1xkl s ARG 177 Cb -0.46 -0.69 -0.08 0.00 0.52 0.00 0.00 34.95 34.24 1xkl s ARG 177 CO 0.62 0.01 1.19 -1.25 0.02 0.00 0.00 175.30 175.88 1xkl s PRO 178 N -3.79 3.80 0.00 3.54 0.04 -1.26 -3.99 135.00 133.34 1xkl s PRO 178 Ca 0.23 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1xkl s PRO 178 Cb 0.04 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1xkl s PRO 178 CO 0.05 -0.54 0.00 -1.13 0.04 0.00 0.00 177.00 175.43 1xkl n SER 179 N -0.36 0.00 -3.53 6.66 3.41 -1.26 -4.74 113.62 113.80 1xkl n SER 179 Ca 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.58 1xkl n SER 179 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1xkl n SER 179 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xkl s SER 180 N 1.00 -0.39 0.00 4.04 0.15 -1.26 -4.38 113.70 112.86 1xkl s SER 180 Ca 0.00 0.18 0.24 0.00 0.70 0.00 0.00 55.95 57.07 1xkl s SER 180 Cb 0.00 0.37 0.26 0.00 -1.71 0.00 0.00 66.02 64.94 1xkl s SER 180 CO 0.00 -0.53 1.24 0.18 1.20 0.00 0.00 173.24 175.33 1xkl n LEU 181 N 0.15 1.14 -2.27 3.45 4.77 -1.26 -5.00 117.00 117.99 1xkl n LEU 181 Ca -0.10 -0.38 -0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1xkl n LEU 181 Cb 0.60 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1xkl n LEU 181 CO 0.13 0.24 -0.34 0.49 -1.33 0.00 0.00 177.39 176.58 1xkl n PHE 182 N -0.91 -3.29 0.00 -1.77 3.72 -1.26 -4.90 117.46 109.04 1xkl n PHE 182 Ca 0.08 1.95 0.00 0.00 -0.05 0.00 0.00 57.45 59.43 1xkl n PHE 182 Cb 0.37 -2.93 0.00 0.00 -0.94 0.00 0.00 39.48 35.98 1xkl n PHE 182 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1xkl n GLU 184 N 1.91 0.00 -0.16 -1.08 4.07 -1.26 -1.13 120.64 122.99 1xkl n GLU 184 Ca -0.01 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.03 1xkl n GLU 184 Cb 0.02 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.43 1xkl n GLU 184 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1xkl h ASP 185 N 0.00 0.43 0.65 4.31 3.58 -1.89 -2.65 116.42 120.84 1xkl h ASP 185 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1xkl h ASP 185 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1xkl h ASP 185 CO 0.00 0.30 0.00 -0.07 -2.88 0.00 0.00 179.24 176.59 1xkl h LEU 186 N 0.54 0.00 0.00 2.28 3.38 -1.41 -0.77 115.31 119.33 1xkl h LEU 186 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1xkl h LEU 186 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xkl h LEU 186 CO -0.11 0.00 -0.49 0.77 0.09 0.00 0.00 178.44 178.71 1xkl h SER 187 N 0.00 0.00 0.00 -0.43 4.64 -1.72 -2.53 113.55 113.51 1xkl h SER 187 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1xkl h SER 187 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1xkl h SER 187 CO 0.00 0.03 0.00 2.29 -0.87 0.00 0.00 176.83 178.28 1xkl n LYS 188 N -2.54 -0.78 -4.07 4.77 2.85 -1.05 -4.92 118.16 112.42 1xkl n LYS 188 Ca 0.03 -0.44 -0.33 0.00 -1.05 0.00 0.00 58.31 56.52 1xkl n LYS 188 Cb 0.49 -0.92 -0.15 0.00 -0.65 0.00 0.00 35.03 33.80 1xkl n LYS 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xkl s ALA 189 N -0.02 2.47 -0.31 0.58 0.00 -0.32 -5.09 121.76 119.07 1xkl s ALA 189 Ca 0.00 -1.38 -0.21 0.00 0.00 0.00 0.00 51.96 50.38 1xkl s ALA 189 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1xkl s ALA 189 CO 0.00 -0.61 0.64 0.21 0.00 0.00 0.00 175.76 176.00 1xkl s LYS 190 N 1.26 3.87 -0.20 0.00 2.47 -1.26 -4.43 119.74 121.45 1xkl s LYS 190 Ca 0.01 0.28 -0.12 0.00 -1.56 0.00 0.00 55.97 54.58 1xkl s LYS 190 Cb -0.15 -3.74 -0.08 0.00 -1.46 0.00 0.00 37.83 32.39 1xkl s LYS 190 CO -0.09 -0.61 -0.29 0.66 0.16 0.00 0.00 175.35 175.18 1xkl n TYR 191 N 5.93 0.00 -3.42 4.03 4.01 -1.26 -5.04 117.16 121.41 1xkl n TYR 191 Ca -0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1xkl n TYR 191 Cb 0.49 -0.70 -0.06 0.00 -0.31 0.00 0.00 39.34 38.76 1xkl n TYR 191 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1xkl s PHE 192 N -2.49 3.68 0.13 -0.72 0.08 -1.26 -4.99 117.98 112.40 1xkl s PHE 192 Ca -0.29 1.03 0.06 0.00 0.12 0.00 0.00 56.93 57.85 1xkl s PHE 192 Cb 0.10 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1xkl s PHE 192 CO 0.38 0.54 -0.13 0.95 -0.10 0.00 0.00 175.22 176.86 1xkl s THR 193 N -1.28 1.32 0.22 0.64 -4.23 -1.26 -4.52 115.64 106.54 1xkl s THR 193 Ca 0.31 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1xkl s THR 193 Cb -0.16 -1.62 0.09 0.00 1.34 0.00 0.00 72.50 72.15 1xkl s THR 193 CO 0.17 -0.49 1.70 -0.78 -0.54 0.00 0.00 174.62 174.68 1xkl h ASP 194 N 3.31 0.91 -0.95 3.99 -0.00 -1.95 -1.04 116.42 120.69 1xkl h ASP 194 Ca -0.39 -0.24 0.04 0.00 -0.00 0.00 0.00 57.03 56.44 1xkl h ASP 194 Cb 1.20 -0.24 -0.06 0.00 -0.00 0.00 0.00 39.33 40.23 1xkl h ASP 194 CO 0.54 0.97 0.62 -0.08 -0.00 0.00 0.00 179.24 181.29 1xkl h GLU 195 N 0.86 1.15 0.00 0.28 4.57 -1.96 -2.83 114.58 116.65 1xkl h GLU 195 Ca 0.16 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1xkl h GLU 195 Cb 0.52 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1xkl h GLU 195 CO 0.03 0.76 0.00 0.54 -1.18 0.00 0.00 179.01 179.16 1xkl n ARG 196 N -4.49 0.00 -0.30 1.92 1.74 -1.18 -4.20 116.66 110.16 1xkl n ARG 196 Ca 0.13 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.15 1xkl n ARG 196 Cb 0.11 -0.14 -0.02 0.00 -1.02 0.00 0.00 32.46 31.39 1xkl n ARG 196 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1xkl h PHE 197 N 0.00 -1.30 0.00 -1.55 3.57 -1.50 0.22 116.94 116.37 1xkl h PHE 197 Ca 0.00 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1xkl h PHE 197 Cb 0.00 0.68 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1xkl h PHE 197 CO 0.00 -0.41 0.00 0.41 -2.23 0.00 0.00 178.31 176.08 1xkl n GLY 198 N -1.40 -0.93 0.01 2.40 0.00 -0.49 -2.27 105.19 102.51 1xkl n GLY 198 Ca 0.05 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1xkl n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xkl n SER 199 N -2.06 0.03 -4.79 1.61 3.41 0.77 -4.79 113.62 107.80 1xkl n SER 199 Ca 0.00 -0.60 -0.36 0.00 -0.26 0.00 0.00 58.87 57.65 1xkl n SER 199 Cb 0.09 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 1xkl n SER 199 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xkl s VAL 200 N -2.27 5.43 0.25 -3.33 1.01 -0.96 -5.05 120.40 115.47 1xkl s VAL 200 Ca 0.38 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1xkl s VAL 200 Cb 0.21 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 1xkl s VAL 200 CO 0.41 0.51 1.40 -0.54 0.00 0.00 0.00 175.10 176.88 1xkl s LYS 201 N -0.17 4.30 -0.11 2.72 1.02 -1.26 -4.87 119.74 121.36 1xkl s LYS 201 Ca 0.12 2.25 0.01 0.00 0.02 0.00 0.00 55.97 58.37 1xkl s LYS 201 Cb -0.12 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 1xkl s LYS 201 CO 0.01 -0.36 -0.15 1.03 -0.92 0.00 0.00 175.35 174.96 1xkl s ARG 202 N -0.54 3.18 -0.11 1.68 0.52 -1.26 -0.53 118.95 121.89 1xkl s ARG 202 Ca 0.57 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 1xkl s ARG 202 Cb -0.41 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.53 1xkl s ARG 202 CO 0.44 0.29 -0.21 0.08 0.02 0.00 0.00 175.30 175.92 1xkl s VAL 203 N 0.14 1.87 -0.20 3.52 1.01 0.26 0.09 120.40 127.10 1xkl s VAL 203 Ca -0.08 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 1xkl s VAL 203 Cb -0.15 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1xkl s VAL 203 CO 0.05 0.52 -0.05 -0.47 0.00 0.00 0.00 175.10 175.15 1xkl s TYR 204 N 0.61 2.95 -0.35 5.22 6.14 -0.70 0.24 117.35 131.46 1xkl s TYR 204 Ca -0.13 -0.81 -0.12 0.00 0.64 0.00 0.00 57.07 56.64 1xkl s TYR 204 Cb -0.17 -2.06 -0.00 0.00 0.42 0.00 0.00 41.96 40.16 1xkl s TYR 204 CO 0.04 -0.44 0.23 0.42 0.64 0.00 0.00 175.55 176.43 1xkl s ILE 205 N 1.21 5.01 0.03 3.14 1.01 -0.15 -0.10 121.20 131.35 1xkl s ILE 205 Ca 0.03 -0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 1xkl s ILE 205 Cb -0.14 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1xkl s ILE 205 CO -0.01 -0.08 0.63 -0.69 0.00 0.00 0.00 174.94 174.78 1xkl s VAL 206 N 1.66 4.81 -0.55 2.92 1.01 0.11 -1.66 120.40 128.69 1xkl s VAL 206 Ca 0.05 1.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.31 1xkl s VAL 206 Cb -0.18 -3.96 0.14 0.00 0.00 0.00 0.00 36.38 32.38 1xkl s VAL 206 CO 0.09 0.45 0.37 0.00 0.00 0.00 0.00 175.10 176.01 1xkl h THR 208 N 5.67 0.36 -0.71 0.00 1.35 -1.68 -0.18 112.91 117.72 1xkl h THR 208 Ca -0.06 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1xkl h THR 208 Cb 1.00 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1xkl h THR 208 CO 0.73 0.02 0.00 -0.62 -0.25 0.00 0.00 175.52 175.39 1xkl n GLU 209 N -4.29 3.25 -1.79 4.72 -0.58 -0.45 -4.60 120.64 116.89 1xkl n GLU 209 Ca 0.29 -2.80 -0.42 0.00 -0.42 0.00 0.00 57.16 53.81 1xkl n GLU 209 Cb 1.28 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 30.38 1xkl n GLU 209 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xkl s ASP 210 N -0.95 6.47 0.00 1.62 -1.08 -0.08 -4.49 116.67 118.16 1xkl s ASP 210 Ca 0.51 2.71 0.13 0.00 -0.52 0.00 0.00 52.55 55.39 1xkl s ASP 210 Cb 0.30 -2.58 -0.12 0.00 -1.46 0.00 0.00 42.92 39.06 1xkl s ASP 210 CO 0.30 -0.95 0.58 0.29 0.52 0.00 0.00 175.17 175.91 1xkl n LYS 211 N 4.95 2.60 -0.07 4.34 5.02 -1.24 -3.79 118.16 129.96 1xkl n LYS 211 Ca 0.16 -0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.23 1xkl n LYS 211 Cb 0.38 -1.12 -0.08 0.00 -0.02 0.00 0.00 35.03 34.19 1xkl n LYS 211 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1xkl h GLY 212 N 3.03 0.00 -7.27 0.72 0.00 -1.45 -3.40 103.07 94.69 1xkl h GLY 212 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1xkl h GLY 212 CO 0.00 0.00 -0.63 -0.42 0.00 0.00 0.00 176.54 175.49 1xkl s ILE 213 N -2.09 2.53 0.60 2.60 1.01 -1.26 -5.10 121.20 119.49 1xkl s ILE 213 Ca -0.16 -3.46 -0.18 0.00 0.00 0.00 0.00 60.65 56.85 1xkl s ILE 213 Cb 0.00 -2.74 -0.08 0.00 0.01 0.00 0.00 42.46 39.66 1xkl s ILE 213 CO 0.43 -0.86 0.53 -0.81 0.00 0.00 0.00 174.94 174.24 1xkl n PRO 214 N 2.89 0.48 -0.29 2.79 -0.04 -1.25 -4.71 135.00 134.88 1xkl n PRO 214 Ca 0.09 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1xkl n PRO 214 Cb 0.33 -1.73 0.23 0.00 -0.04 0.00 0.00 33.50 32.29 1xkl n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xkl h GLU 215 N 0.13 0.48 -0.71 0.54 4.81 -1.80 -1.45 114.58 116.58 1xkl h GLU 215 Ca -0.46 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1xkl h GLU 215 Cb 1.39 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 1xkl h GLU 215 CO 0.46 0.32 0.33 1.05 -0.73 0.00 0.00 179.01 180.44 1xkl h GLU 216 N 0.49 0.54 -0.05 1.92 9.09 -1.94 0.26 114.58 124.89 1xkl h GLU 216 Ca 0.47 -0.03 -0.15 0.00 0.05 0.00 0.00 59.36 59.71 1xkl h GLU 216 Cb 0.76 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.73 1xkl h GLU 216 CO -0.43 0.35 -0.62 0.35 0.05 0.00 0.00 179.01 178.72 1xkl h PHE 217 N 0.55 0.25 -0.19 2.06 3.57 -1.62 0.37 116.94 121.93 1xkl h PHE 217 Ca 0.36 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1xkl h PHE 217 Cb 0.41 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1xkl h PHE 217 CO -0.12 0.76 0.05 1.96 -2.23 0.00 0.00 178.31 178.73 1xkl h GLN 218 N 0.14 0.31 0.00 1.11 4.20 -0.58 -1.43 115.11 118.86 1xkl h GLN 218 Ca -0.01 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1xkl h GLN 218 Cb 1.13 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1xkl h GLN 218 CO 0.09 0.43 -0.31 0.00 -0.67 0.00 0.00 178.83 178.37 1xkl h ARG 219 N 0.13 0.00 -0.61 1.46 3.08 -0.40 -2.41 114.38 115.64 1xkl h ARG 219 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1xkl h ARG 219 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1xkl h ARG 219 CO -0.00 0.31 0.23 2.35 -1.07 0.00 0.00 179.97 181.79 1xkl h TRP 220 N 0.00 0.95 -0.41 3.04 7.01 -0.42 -0.39 115.95 125.72 1xkl h TRP 220 Ca -0.00 -0.08 -0.13 0.00 2.11 0.00 0.00 58.89 60.79 1xkl h TRP 220 Cb 0.62 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1xkl h TRP 220 CO 0.00 0.76 -0.25 1.96 -2.79 0.00 0.00 178.44 178.12 1xkl h GLN 221 N 0.86 0.85 -0.26 2.65 4.20 -0.84 0.65 115.11 123.21 1xkl h GLN 221 Ca 0.20 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1xkl h GLN 221 Cb 0.23 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1xkl h GLN 221 CO -0.01 1.00 0.09 0.82 -0.67 0.00 0.00 178.83 180.05 1xkl h ILE 222 N 0.73 1.19 -0.55 2.54 2.04 -1.18 0.47 117.51 122.74 1xkl h ILE 222 Ca 0.09 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 1xkl h ILE 222 Cb 0.79 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1xkl h ILE 222 CO 0.07 0.20 -0.07 0.44 0.00 0.00 0.00 178.15 178.78 1xkl h ASP 223 N 0.26 1.02 0.11 1.72 3.45 -0.95 -0.09 116.42 121.94 1xkl h ASP 223 Ca 0.08 -0.34 -0.32 0.00 0.43 0.00 0.00 57.03 56.89 1xkl h ASP 223 Cb 0.23 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1xkl h ASP 223 CO -0.00 1.12 -1.70 0.78 -1.57 0.00 0.00 179.24 177.86 1xkl h ASN 224 N 0.91 0.36 0.49 6.45 4.21 -0.84 -3.40 115.58 123.75 1xkl h ASN 224 Ca 0.15 -0.85 -0.30 0.00 1.21 0.00 0.00 56.30 56.51 1xkl h ASN 224 Cb 0.64 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.68 1xkl h ASN 224 CO 0.04 1.73 -1.65 0.40 -1.29 0.00 0.00 177.43 176.66 1xkl h ILE 225 N -0.20 0.94 0.00 2.81 2.04 -0.20 -3.51 117.51 119.40 1xkl h ILE 225 Ca -0.37 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 62.75 1xkl h ILE 225 Cb 1.85 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 40.45 1xkl h ILE 225 CO 0.04 0.64 0.00 0.61 0.00 0.00 0.00 178.15 179.44 1xkl n GLY 226 N 1.61 -1.39 3.19 5.37 0.00 -0.05 -5.01 105.19 108.91 1xkl n GLY 226 Ca -0.17 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 1xkl n GLY 226 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xkl s VAL 227 N -2.73 0.14 0.18 1.61 -7.23 -1.26 -4.91 120.40 106.20 1xkl s VAL 227 Ca 0.00 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1xkl s VAL 227 Cb 0.00 -1.23 -0.08 0.00 0.56 0.00 0.00 36.38 35.63 1xkl s VAL 227 CO 0.00 -0.63 1.46 0.74 -0.31 0.00 0.00 175.10 176.35 1xkl h THR 228 N 2.99 1.34 -2.55 5.32 2.02 -0.73 -3.46 112.91 117.84 1xkl h THR 228 Ca -0.33 -1.96 -0.09 0.00 0.77 0.00 0.00 66.41 64.79 1xkl h THR 228 Cb 1.19 1.94 -0.21 0.00 -1.74 0.00 0.00 68.15 69.33 1xkl h THR 228 CO 0.55 0.60 -0.09 -0.70 0.37 0.00 0.00 175.52 176.25 1xkl s GLU 229 N -3.81 0.75 -0.16 6.66 2.12 -1.10 -5.03 118.70 118.13 1xkl s GLU 229 Ca -0.07 0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.54 1xkl s GLU 229 Cb 0.11 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.86 1xkl s GLU 229 CO 0.85 -0.18 -0.19 0.00 -0.54 0.00 0.00 175.26 175.19 1xkl s ALA 230 N -0.70 2.36 0.16 6.30 0.00 -1.26 -1.72 121.76 126.90 1xkl s ALA 230 Ca -0.08 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1xkl s ALA 230 Cb -0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1xkl s ALA 230 CO 0.05 -0.18 -0.03 0.42 0.00 0.00 0.00 175.76 176.01 1xkl s ILE 231 N 1.05 3.60 -0.02 0.00 -1.09 0.86 -4.97 121.20 120.62 1xkl s ILE 231 Ca -0.01 -1.41 0.03 0.00 -2.23 0.00 0.00 60.65 57.02 1xkl s ILE 231 Cb -0.14 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1xkl s ILE 231 CO -0.06 -0.07 -0.09 -0.70 -1.23 0.00 0.00 174.94 172.79 1xkl s GLU 232 N -2.78 0.89 -0.39 2.79 2.12 -1.26 0.05 118.70 120.12 1xkl s GLU 232 Ca 0.26 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.29 1xkl s GLU 232 Cb -0.10 -0.84 0.11 0.00 0.26 0.00 0.00 34.13 33.56 1xkl s GLU 232 CO 0.17 0.14 0.13 0.42 -0.54 0.00 0.00 175.26 175.59 1xkl s ILE 233 N 0.05 2.67 0.26 -3.70 1.01 0.11 -4.90 121.20 116.69 1xkl s ILE 233 Ca -0.01 -2.37 -0.30 0.00 0.00 0.00 0.00 60.65 57.98 1xkl s ILE 233 Cb -0.07 -2.90 -0.10 0.00 0.01 0.00 0.00 42.46 39.40 1xkl s ILE 233 CO 0.00 -0.66 1.31 -0.54 0.00 0.00 0.00 174.94 175.05 1xkl s LYS 234 N 0.84 4.38 0.00 2.79 -0.14 -1.26 -3.32 119.74 123.02 1xkl s LYS 234 Ca 0.11 2.12 0.00 0.00 -1.36 0.00 0.00 55.97 56.84 1xkl s LYS 234 Cb -0.21 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 1xkl s LYS 234 CO -0.06 -0.21 0.00 0.41 -0.76 0.00 0.00 175.35 174.73 1xkl n GLY 235 N 1.72 0.75 3.87 -3.33 0.00 -1.26 -4.99 105.19 101.95 1xkl n GLY 235 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1xkl n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkl s ALA 236 N -2.90 3.86 0.64 4.61 0.00 -1.21 -4.86 121.76 121.90 1xkl s ALA 236 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1xkl s ALA 236 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1xkl s ALA 236 CO 0.00 0.60 0.00 -0.40 0.00 0.00 0.00 175.76 175.96 1xkl n ASP 237 N 2.06 0.00 -2.34 0.00 5.68 -1.26 -1.34 116.55 119.34 1xkl n ASP 237 Ca -0.20 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 1xkl n ASP 237 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1xkl n ASP 237 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1xkl n HIS 238 N -1.21 0.00 0.00 2.11 -0.00 -1.23 -4.57 115.22 110.33 1xkl n HIS 238 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xkl n HIS 238 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 29.69 1xkl n HIS 238 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xkl n ALA 240 N 2.35 0.00 0.00 1.57 0.00 -1.26 -4.95 120.51 118.22 1xkl n ALA 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xkl n ALA 240 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xkl n ALA 240 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xkl n LEU 242 N 0.00 0.00 0.08 0.00 4.77 -1.26 -0.61 117.00 119.97 1xkl n LEU 242 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1xkl n LEU 242 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1xkl n LEU 242 CO 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 177.39 176.01 1xkl n GLU 244 N -2.89 1.07 -0.29 0.00 -0.58 0.22 -4.97 120.64 113.19 1xkl n GLU 244 Ca -0.05 -3.19 0.05 0.00 -0.42 0.00 0.00 57.16 53.55 1xkl n GLU 244 Cb 0.73 -1.35 0.25 0.00 -0.57 0.00 0.00 31.44 30.50 1xkl n GLU 244 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1xkl h PRO 245 N 2.95 0.96 -0.22 3.49 0.13 -1.76 -1.77 132.00 135.79 1xkl h PRO 245 Ca -0.03 -0.06 -0.18 0.00 -0.87 0.00 0.00 66.00 64.86 1xkl h PRO 245 Cb 1.10 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1xkl h PRO 245 CO 0.46 0.64 -0.57 1.96 -0.23 0.00 0.00 178.00 180.26 1xkl h GLN 246 N 0.99 0.70 -0.53 0.86 4.20 -1.92 -0.10 115.11 119.31 1xkl h GLN 246 Ca 0.39 -0.45 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1xkl h GLN 246 Cb 0.23 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1xkl h GLN 246 CO -0.15 1.07 0.02 0.87 -0.67 0.00 0.00 178.83 179.98 1xkl h LYS 247 N 0.53 0.93 -0.57 1.46 1.57 -1.86 -1.62 116.57 117.01 1xkl h LYS 247 Ca 0.01 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1xkl h LYS 247 Cb 1.15 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1xkl h LYS 247 CO 0.12 0.93 0.14 1.25 -0.57 0.00 0.00 179.45 181.31 1xkl h LEU 248 N 0.80 0.87 -0.50 2.94 6.46 -1.26 -2.08 115.31 122.55 1xkl h LEU 248 Ca 0.15 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1xkl h LEU 248 Cb 0.50 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1xkl h LEU 248 CO 0.02 0.88 0.28 0.00 -0.62 0.00 0.00 178.44 179.00 1xkl h ALA 250 N 1.13 1.15 -0.48 0.00 0.00 -1.08 0.42 119.26 120.39 1xkl h ALA 250 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xkl h ALA 250 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1xkl h ALA 250 CO -0.03 0.59 0.15 0.77 0.00 0.00 0.00 179.25 180.74 1xkl h SER 251 N 1.24 0.70 -0.62 0.00 0.02 -0.95 -1.46 113.55 112.48 1xkl h SER 251 Ca 0.33 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1xkl h SER 251 Cb -0.08 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 1xkl h SER 251 CO -0.06 0.72 0.02 -0.07 -1.14 0.00 0.00 176.83 176.29 1xkl h LEU 252 N 0.64 1.06 -1.23 5.07 3.38 -0.59 -1.80 115.31 121.84 1xkl h LEU 252 Ca 0.15 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1xkl h LEU 252 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1xkl h LEU 252 CO -0.01 1.10 -0.14 -0.07 0.09 0.00 0.00 178.44 179.42 1xkl h LEU 253 N 0.99 0.35 -0.15 1.67 3.38 -0.75 0.20 115.31 120.99 1xkl h LEU 253 Ca 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xkl h LEU 253 Cb 0.54 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1xkl h LEU 253 CO 0.03 0.51 -0.01 -0.08 0.09 0.00 0.00 178.44 178.98 1xkl h GLU 254 N 0.34 0.28 -0.17 1.13 4.81 -0.89 -2.22 114.58 117.86 1xkl h GLU 254 Ca 0.07 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1xkl h GLU 254 Cb 0.45 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1xkl h GLU 254 CO 0.03 0.52 -0.35 -0.84 -0.73 0.00 0.00 179.01 177.64 1xkl h ILE 255 N 0.00 1.29 0.00 2.32 -0.00 -1.08 -1.83 117.51 118.21 1xkl h ILE 255 Ca 0.04 -1.41 0.00 0.00 -0.00 0.00 0.00 64.86 63.49 1xkl h ILE 255 Cb 0.40 1.54 0.00 0.00 -0.00 0.00 0.00 36.82 38.76 1xkl h ILE 255 CO 0.01 0.43 0.00 0.00 -0.00 0.00 0.00 178.15 178.59 1xkl h ALA 256 N 1.33 1.00 0.03 0.16 0.00 -0.77 -0.93 119.26 120.08 1xkl h ALA 256 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1xkl h ALA 256 Cb 0.76 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1xkl h ALA 256 CO 0.06 0.00 -1.63 1.58 0.00 0.00 0.00 179.25 179.26 1xkl n HIS 257 N -3.00 0.93 0.38 0.00 -0.00 -0.74 -4.35 115.22 108.44 1xkl n HIS 257 Ca -0.01 0.33 0.13 0.00 -0.00 0.00 0.00 57.72 58.18 1xkl n HIS 257 Cb 0.18 -1.10 0.38 0.00 -0.00 0.00 0.00 29.99 29.45 1xkl n HIS 257 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 1xkl h LYS 258 N -0.71 0.00 -2.30 1.57 2.10 -1.33 -3.31 116.57 112.59 1xkl h LYS 258 Ca -0.42 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.56 1xkl h LYS 258 Cb 1.54 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 32.50 1xkl h LYS 258 CO -0.16 0.00 -0.03 0.66 -2.00 0.00 0.00 179.45 177.92 1xkl n TYR 259 N -2.72 3.53 0.62 0.07 4.02 -0.36 -5.10 117.16 117.23 1xkl n TYR 259 Ca 0.04 -3.48 0.07 0.00 -0.01 0.00 0.00 57.90 54.52 1xkl n TYR 259 Cb 0.42 -0.76 0.06 0.00 -0.02 0.00 0.00 39.34 39.04 1xkl n TYR 259 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12