#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkl s GLY 4 N 0.00 2.50 0.12 0.62 0.00 -1.26 -5.05 107.32 104.25 1xkl s GLY 4 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 44.72 45.30 1xkl s GLY 4 CO 0.00 0.83 -0.04 1.25 0.00 0.00 0.00 173.10 175.15 1xkl s LYS 5 N -3.05 2.34 -0.43 2.90 2.47 -1.26 -4.91 119.74 117.80 1xkl s LYS 5 Ca 0.63 -1.00 -0.10 0.00 -1.56 0.00 0.00 55.97 53.94 1xkl s LYS 5 Cb -0.14 -2.39 0.08 0.00 -1.46 0.00 0.00 37.83 33.93 1xkl s LYS 5 CO 0.18 0.50 0.28 -1.58 0.16 0.00 0.00 175.35 174.88 1xkl s HIS 6 N -1.42 3.34 -0.17 4.03 5.65 -1.26 0.64 115.29 126.10 1xkl s HIS 6 Ca 0.25 -1.52 -0.18 0.00 0.25 0.00 0.00 55.06 53.85 1xkl s HIS 6 Cb -0.11 -3.02 -0.04 0.00 -1.18 0.00 0.00 32.58 28.24 1xkl s HIS 6 CO 0.17 -0.86 0.50 -0.06 -0.65 0.00 0.00 174.74 173.84 1xkl s PHE 7 N 1.43 3.42 -0.35 3.88 0.08 0.53 -1.19 117.98 125.77 1xkl s PHE 7 Ca 0.03 0.81 -0.08 0.00 0.12 0.00 0.00 56.93 57.81 1xkl s PHE 7 Cb -0.23 -2.63 0.03 0.00 -0.57 0.00 0.00 43.02 39.62 1xkl s PHE 7 CO 0.02 -0.01 0.15 0.08 -0.10 0.00 0.00 175.22 175.36 1xkl s VAL 8 N 1.30 4.13 -0.17 -0.44 1.01 0.20 -1.18 120.40 125.25 1xkl s VAL 8 Ca 0.25 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 1xkl s VAL 8 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1xkl s VAL 8 CO 0.10 -0.19 0.36 -0.76 0.00 0.00 0.00 175.10 174.60 1xkl s LEU 9 N 1.47 4.21 -0.22 3.92 1.43 0.07 -0.96 118.68 128.60 1xkl s LEU 9 Ca 0.00 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1xkl s LEU 9 Cb -0.19 -2.47 0.05 0.00 0.03 0.00 0.00 46.19 43.61 1xkl s LEU 9 CO 0.04 0.01 -0.10 -0.69 0.23 0.00 0.00 176.35 175.85 1xkl s VAL 10 N 0.85 1.77 0.96 -1.59 1.01 0.41 -3.48 120.40 120.34 1xkl s VAL 10 Ca 0.18 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1xkl s VAL 10 Cb -0.14 -1.89 0.17 0.00 0.00 0.00 0.00 36.38 34.52 1xkl s VAL 10 CO 0.06 0.08 1.09 -1.38 0.00 0.00 0.00 175.10 174.95 1xkl s HIS 11 N 1.31 1.90 0.50 5.22 -3.43 -1.26 -1.44 115.29 118.11 1xkl s HIS 11 Ca -0.04 1.41 -0.03 0.00 -0.80 0.00 0.00 55.06 55.60 1xkl s HIS 11 Cb -0.18 -3.19 0.10 0.00 -1.43 0.00 0.00 32.58 27.89 1xkl s HIS 11 CO -0.07 -2.84 0.69 0.41 -2.00 0.00 0.00 174.74 170.93 1xkl n GLY 12 N -0.29 0.19 3.78 -1.38 0.00 -1.17 -3.42 105.19 102.89 1xkl n GLY 12 Ca 0.07 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.26 3.49 0.00 4.61 0.00 -1.26 -2.50 121.76 122.83 1xkl s ALA 13 Ca 0.44 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1xkl s ALA 13 Cb -0.02 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1xkl s ALA 13 CO 0.29 -1.07 0.00 0.00 0.00 0.00 0.00 175.76 174.99 1xkl n HIS 15 N -2.01 -0.65 -3.30 0.00 -0.00 -1.04 -2.32 115.22 105.89 1xkl n HIS 15 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1xkl n HIS 15 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 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 2.38 0.31 -1.41 0.00 -1.26 -3.79 105.19 106.42 1xkl n GLY 16 Ca 0.00 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 0.18 0.00 1.27 -0.02 0.00 -1.77 -2.23 103.07 100.50 1xkl h GLY 17 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.38 1xkl h GLY 17 CO 0.04 0.00 0.29 0.11 0.00 0.00 0.00 176.54 176.98 1xkl h TRP 18 N 0.00 0.00 0.00 5.60 5.08 -1.89 -1.82 115.95 122.92 1xkl h TRP 18 Ca 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.05 1xkl h TRP 18 Cb 0.38 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.54 1xkl h TRP 18 CO 0.00 0.00 -0.04 0.66 -1.28 0.00 0.00 178.44 177.78 1xkl h SER 19 N 0.00 0.00 -0.36 0.11 4.64 -1.81 -1.86 113.55 114.26 1xkl h SER 19 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xkl h SER 19 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1xkl h SER 19 CO -0.00 0.04 0.00 0.79 -0.87 0.00 0.00 176.83 176.79 1xkl n TRP 20 N -3.73 0.54 0.20 4.77 7.02 -0.68 -4.48 117.44 121.08 1xkl n TRP 20 Ca -0.03 -0.26 0.18 0.00 -1.02 0.00 0.00 57.50 56.38 1xkl n TRP 20 Cb 0.13 -0.03 0.83 0.00 -2.42 0.00 0.00 31.31 29.83 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 2.15 0.00 0.09 -5.99 -0.00 -1.51 0.64 116.97 112.36 1xkl h TYR 21 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.41 1xkl h TYR 21 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.27 1xkl h TYR 21 CO 0.27 0.00 -1.71 0.87 -0.00 0.00 0.00 178.16 177.60 1xkl h LYS 22 N 0.00 0.20 -0.00 0.10 1.57 -1.86 -3.40 116.57 113.19 1xkl h LYS 22 Ca 0.09 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1xkl h LYS 22 Cb 0.60 0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.05 1xkl h LYS 22 CO -0.00 1.01 -0.40 1.25 -0.57 0.00 0.00 179.45 180.74 1xkl h LEU 23 N 0.05 0.35 -0.73 2.94 5.85 -1.55 -3.36 115.31 118.87 1xkl h LEU 23 Ca -0.31 -0.77 0.13 0.00 0.84 0.00 0.00 57.88 57.77 1xkl h LEU 23 Cb 2.02 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.81 1xkl h LEU 23 CO 0.12 1.08 -0.33 0.50 -0.34 0.00 0.00 178.44 179.47 1xkl h LYS 24 N -0.33 -0.09 -0.49 1.25 3.64 -1.13 0.13 116.57 119.54 1xkl h LYS 24 Ca -0.05 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1xkl h LYS 24 Cb 1.13 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1xkl h LYS 24 CO 0.08 -0.06 0.33 -1.35 -2.27 0.00 0.00 179.45 176.17 1xkl h PRO 25 N -0.10 0.64 -0.31 1.90 0.11 -1.76 -1.73 132.00 130.75 1xkl h PRO 25 Ca 0.28 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1xkl h PRO 25 Cb 0.57 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1xkl h PRO 25 CO -0.78 0.43 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.27 1xkl h LEU 26 N 0.66 0.62 -0.78 2.35 3.38 -1.13 -0.28 115.31 120.13 1xkl h LEU 26 Ca 0.18 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1xkl h LEU 26 Cb -0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xkl h LEU 26 CO -0.04 0.85 0.04 -0.07 0.09 0.00 0.00 178.44 179.31 1xkl h LEU 27 N 0.38 0.93 -0.51 1.67 3.38 -1.06 -2.52 115.31 117.58 1xkl h LEU 27 Ca 0.08 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 1xkl h LEU 27 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1xkl h LEU 27 CO 0.03 0.96 -0.43 -0.33 0.09 0.00 0.00 178.44 178.76 1xkl h GLU 28 N 0.90 0.73 0.00 1.13 5.08 -1.25 -2.31 114.58 118.85 1xkl h GLU 28 Ca 0.17 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1xkl h GLU 28 Cb 0.47 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xkl h GLU 28 CO 0.02 1.02 -0.04 0.00 -1.00 0.00 0.00 179.01 179.01 1xkl h ALA 29 N 0.92 1.77 0.00 3.43 0.00 -0.78 0.29 119.26 124.90 1xkl h ALA 29 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xkl h ALA 29 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xkl h ALA 29 CO 0.09 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1xkl n ALA 30 N -2.46 2.56 -0.67 0.00 0.00 -0.91 -4.86 120.51 114.16 1xkl n ALA 30 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xkl n ALA 30 Cb 0.12 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.67 0.59 3.71 0.00 0.00 0.10 -5.02 105.19 105.25 1xkl n GLY 31 Ca 0.09 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 2.91 0.06 1.61 3.76 -0.96 -4.34 115.29 116.32 1xkl s HIS 32 Ca 0.00 -0.14 -0.17 0.00 -0.15 0.00 0.00 55.06 54.60 1xkl s HIS 32 Cb 0.00 -1.35 -0.06 0.00 1.11 0.00 0.00 32.58 32.27 1xkl s HIS 32 CO 0.00 0.55 0.51 0.21 -0.85 0.00 0.00 174.74 175.16 1xkl s LYS 33 N -3.35 4.07 -0.01 1.40 2.20 0.21 -3.92 119.74 120.33 1xkl s LYS 33 Ca 0.30 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 56.52 1xkl s LYS 33 Cb -0.08 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1xkl s LYS 33 CO 0.21 0.63 -0.05 0.08 -0.36 0.00 0.00 175.35 175.86 1xkl s VAL 34 N -1.16 0.46 -0.18 4.02 1.01 -1.26 -0.35 120.40 122.94 1xkl s VAL 34 Ca 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1xkl s VAL 34 Cb -0.18 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.82 1xkl s VAL 34 CO 0.17 0.15 -0.07 -0.89 0.00 0.00 0.00 175.10 174.47 1xkl s THR 35 N 0.14 1.30 -0.88 3.92 2.01 -0.32 -4.97 115.64 116.83 1xkl s THR 35 Ca -0.01 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 1xkl s THR 35 Cb -0.05 -1.45 0.22 0.00 0.01 0.00 0.00 72.50 71.23 1xkl s THR 35 CO -0.00 0.13 0.78 0.00 -0.69 0.00 0.00 174.62 174.83 1xkl s ALA 36 N 1.55 4.21 0.70 7.40 0.00 -1.26 -0.75 121.76 133.60 1xkl s ALA 36 Ca -0.00 -3.72 -0.11 0.00 0.00 0.00 0.00 51.96 48.12 1xkl s ALA 36 Cb -0.16 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1xkl s ALA 36 CO -0.08 -2.16 1.08 -0.48 0.00 0.00 0.00 175.76 174.13 1xkl s LEU 37 N -1.04 2.94 -0.17 0.00 2.34 -1.23 -4.45 118.68 117.07 1xkl s LEU 37 Ca 0.26 1.22 -0.08 0.00 0.06 0.00 0.00 54.13 55.59 1xkl s LEU 37 Cb -0.10 -4.05 -0.04 0.00 -0.56 0.00 0.00 46.19 41.44 1xkl s LEU 37 CO -0.10 -1.33 0.10 -1.81 -1.06 0.00 0.00 176.35 172.15 1xkl s ASP 38 N -4.26 5.95 0.86 1.48 -0.00 -1.26 -3.25 116.67 116.20 1xkl s ASP 38 Ca 0.58 0.21 -0.10 0.00 -0.00 0.00 0.00 52.55 53.24 1xkl s ASP 38 Cb -0.11 -2.00 0.16 0.00 -0.00 0.00 0.00 42.92 40.97 1xkl s ASP 38 CO 0.53 0.23 1.19 -0.76 -0.00 0.00 0.00 175.17 176.36 1xkl s LEU 39 N 0.02 2.80 0.41 1.23 1.43 -1.26 -4.77 118.68 118.54 1xkl s LEU 39 Ca 0.08 0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 53.01 1xkl s LEU 39 Cb -0.12 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 1xkl s LEU 39 CO 0.00 -2.34 1.24 0.00 0.23 0.00 0.00 176.35 175.48 1xkl n ALA 40 N -3.39 1.14 -2.58 4.21 0.00 -0.93 -2.16 120.51 116.80 1xkl n ALA 40 Ca 0.14 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 1xkl n ALA 40 Cb 0.60 -2.24 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 1xkl n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkl n ALA 41 N -0.17 -0.83 -2.49 0.00 0.00 -1.25 -4.95 120.51 110.82 1xkl n ALA 41 Ca 0.07 0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 1xkl n ALA 41 Cb 0.39 -1.70 -0.11 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.13 2.25 1.46 0.00 0.01 -0.92 -4.79 113.70 109.56 1xkl s SER 42 Ca 0.06 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1xkl s SER 42 Cb -0.03 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1xkl s SER 42 CO 0.07 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1xkl n GLY 43 N 0.53 3.63 0.87 3.44 0.00 -1.25 -0.86 105.19 111.55 1xkl n GLY 43 Ca -0.15 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 0.33 -1.77 2.61 -2.24 -1.26 -4.93 114.28 107.02 1xkl n THR 44 Ca 0.00 -0.55 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 1xkl n THR 44 Cb 0.00 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.56 6.45 0.12 3.42 2.15 -0.04 -4.88 116.67 122.33 1xkl s ASP 45 Ca 0.35 2.76 0.21 0.00 0.43 0.00 0.00 52.55 56.30 1xkl s ASP 45 Cb 0.20 -2.58 0.85 0.00 -0.30 0.00 0.00 42.92 41.08 1xkl s ASP 45 CO 0.29 -0.95 1.64 0.18 -0.17 0.00 0.00 175.17 176.16 1xkl n LEU 46 N 4.68 0.34 -4.76 -1.34 4.77 -1.26 -4.33 117.00 115.10 1xkl n LEU 46 Ca 0.16 0.57 -0.34 0.00 -0.03 0.00 0.00 56.01 56.37 1xkl n LEU 46 Cb 0.37 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1xkl n LEU 46 CO 0.64 -0.33 0.78 -0.13 -1.33 0.00 0.00 177.39 177.02 1xkl s ARG 47 N -3.13 2.78 0.12 3.23 0.52 -1.26 -4.98 118.95 116.23 1xkl s ARG 47 Ca 0.07 1.58 0.03 0.00 -0.52 0.00 0.00 55.73 56.89 1xkl s ARG 47 Cb 0.11 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 1xkl s ARG 47 CO 0.38 -1.30 0.19 0.15 0.02 0.00 0.00 175.30 174.74 1xkl s LYS 48 N -3.78 3.21 0.30 3.54 1.02 -1.26 -3.94 119.74 118.81 1xkl s LYS 48 Ca 0.71 -0.64 -0.00 0.00 0.02 0.00 0.00 55.97 56.05 1xkl s LYS 48 Cb -0.25 -2.86 0.49 0.00 -0.52 0.00 0.00 37.83 34.69 1xkl s LYS 48 CO 0.38 0.54 1.93 0.97 -0.92 0.00 0.00 175.35 178.25 1xkl h ILE 49 N 2.01 1.11 0.00 2.17 6.09 -1.87 -1.23 117.51 125.79 1xkl h ILE 49 Ca -0.47 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 1xkl h ILE 49 Cb 1.18 -0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.41 1xkl h ILE 49 CO 0.69 0.20 0.00 -0.62 -3.07 0.00 0.00 178.15 175.34 1xkl n GLU 50 N -4.46 0.07 0.03 2.19 4.71 -1.26 -0.52 120.64 121.40 1xkl n GLU 50 Ca 0.13 0.56 0.12 0.00 -0.01 0.00 0.00 57.16 57.95 1xkl n GLU 50 Cb 0.15 -1.73 0.23 0.00 -1.01 0.00 0.00 31.44 29.08 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 -1.88 0.16 -3.66 3.49 1.02 -0.47 -4.81 120.64 114.50 1xkl n GLU 51 Ca -0.01 0.05 -0.36 0.00 -0.02 0.00 0.00 57.16 56.83 1xkl n GLU 51 Cb 0.03 -1.60 -0.08 0.00 -0.02 0.00 0.00 31.44 29.76 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 -3.67 4.19 -0.00 -4.62 1.43 0.32 -4.94 118.68 111.38 1xkl s LEU 52 Ca 0.09 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1xkl s LEU 52 Cb 0.15 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1xkl s LEU 52 CO 0.70 0.13 0.05 0.54 0.23 0.00 0.00 176.35 178.00 1xkl n ARG 53 N 3.76 0.38 -4.26 1.70 1.74 -1.26 -5.02 116.66 113.70 1xkl n ARG 53 Ca -0.15 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.77 1xkl n ARG 53 Cb 0.52 -1.03 -0.10 0.00 -1.02 0.00 0.00 32.46 30.82 1xkl n ARG 53 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1xkl s THR 54 N -2.12 0.37 0.27 0.55 -4.23 -1.26 -4.66 115.64 104.55 1xkl s THR 54 Ca -0.01 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1xkl s THR 54 Cb 0.02 -2.47 0.18 0.00 1.34 0.00 0.00 72.50 71.57 1xkl s THR 54 CO 0.10 -0.11 1.85 0.25 -0.54 0.00 0.00 174.62 176.16 1xkl h LEU 55 N 2.54 0.90 -0.55 4.79 5.85 -1.94 -2.69 115.31 124.21 1xkl h LEU 55 Ca -0.37 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1xkl h LEU 55 Cb 1.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1xkl h LEU 55 CO 0.59 0.80 0.32 0.22 -0.34 0.00 0.00 178.44 180.02 1xkl h TYR 56 N 0.96 0.75 -0.98 1.25 3.20 -1.97 -0.78 116.97 119.41 1xkl h TYR 56 Ca 0.23 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.16 1xkl h TYR 56 Cb 0.18 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.14 1xkl h TYR 56 CO 0.01 0.53 0.63 -0.44 -1.64 0.00 0.00 178.16 177.25 1xkl h ASP 57 N 0.75 0.99 -0.01 -2.11 3.32 -1.89 -0.83 116.42 116.63 1xkl h ASP 57 Ca 0.20 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 1xkl h ASP 57 Cb 0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1xkl h ASP 57 CO -0.03 0.62 -0.45 0.22 -1.72 0.00 0.00 179.24 177.88 1xkl h TYR 58 N 1.12 0.67 -0.00 4.55 3.20 -1.27 -3.15 116.97 122.08 1xkl h TYR 58 Ca 0.43 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1xkl h TYR 58 Cb 0.20 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1xkl h TYR 58 CO -0.01 0.90 -0.15 2.41 -1.64 0.00 0.00 178.16 179.67 1xkl n THR 59 N -4.01 0.00 -0.34 1.81 -1.04 -0.34 -2.20 114.28 108.17 1xkl n THR 59 Ca -0.02 -0.01 0.03 0.00 -2.04 0.00 0.00 64.05 62.01 1xkl n THR 59 Cb 0.54 -0.24 0.10 0.00 -1.82 0.00 0.00 70.33 68.91 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 -1.40 -0.42 -0.21 -4.42 7.94 -0.39 0.46 117.00 118.56 1xkl n LEU 60 Ca 0.08 1.59 0.08 0.00 -1.11 0.00 0.00 56.01 56.65 1xkl n LEU 60 Cb 0.32 -0.44 0.36 0.00 0.53 0.00 0.00 43.42 44.19 1xkl n LEU 60 CO 0.28 -1.49 1.22 -0.65 -1.11 0.00 0.00 177.39 175.64 1xkl h PRO 61 N 0.00 0.73 -1.47 1.96 0.11 -1.85 -0.89 132.00 130.59 1xkl h PRO 61 Ca 0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1xkl h PRO 61 Cb 0.63 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1xkl h PRO 61 CO -0.94 0.48 0.00 -0.11 -0.21 0.00 0.00 178.00 177.22 1xkl n LEU 62 N -4.50 1.60 0.00 2.35 7.94 0.17 -2.21 117.00 122.35 1xkl n LEU 62 Ca 0.12 -0.80 0.00 0.00 -1.11 0.00 0.00 56.01 54.23 1xkl n LEU 62 Cb 0.29 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1xkl n LEU 62 CO 0.33 0.27 0.00 -0.62 -1.11 0.00 0.00 177.39 176.25 1xkl n GLU 64 N 0.74 0.00 0.00 1.96 1.02 -0.34 -4.71 120.64 119.31 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 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 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 0.65 0.00 -4.62 7.94 -0.94 -1.84 117.00 118.18 1xkl n LEU 65 Ca 0.00 -0.32 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 1xkl n LEU 65 Cb 0.00 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 43.84 1xkl n LEU 65 CO 0.00 0.11 0.00 -0.62 -1.11 0.00 0.00 177.39 175.77 1xkl n GLU 67 N 0.86 0.00 0.06 1.96 -0.58 -1.26 -2.61 120.64 119.06 1xkl n GLU 67 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 1xkl n GLU 67 Cb 0.11 0.00 0.34 0.00 -0.57 0.00 0.00 31.44 31.32 1xkl n GLU 67 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xkl n SER 68 N 0.00 0.59 -4.75 1.62 3.41 -0.77 -4.89 113.62 108.83 1xkl n SER 68 Ca 0.00 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 1xkl n SER 68 Cb 0.00 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1xkl n SER 68 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xkl n LEU 69 N -1.97 4.43 -4.55 1.04 4.77 -1.07 -4.96 117.00 114.68 1xkl n LEU 69 Ca 0.05 1.20 -0.31 0.00 -0.03 0.00 0.00 56.01 56.92 1xkl n LEU 69 Cb 0.40 -1.59 0.19 0.00 -2.33 0.00 0.00 43.42 40.09 1xkl n LEU 69 CO 0.33 0.06 0.44 -1.20 -1.33 0.00 0.00 177.39 175.69 1xkl n SER 70 N 1.14 -0.76 0.09 -1.43 7.64 -1.26 -4.92 113.62 114.11 1xkl n SER 70 Ca 0.05 0.21 -0.11 0.00 1.01 0.00 0.00 58.87 60.02 1xkl n SER 70 Cb 0.37 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 62.16 1xkl n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xkl h ALA 71 N -2.10 -0.88 -0.90 -0.43 0.00 -1.99 -2.92 119.26 110.06 1xkl h ALA 71 Ca -0.49 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 1xkl h ALA 71 Cb 1.30 0.74 -0.26 0.00 0.00 0.00 0.00 17.79 19.57 1xkl h ALA 71 CO 0.42 -0.96 0.79 -0.40 0.00 0.00 0.00 179.25 179.11 1xkl n ASP 72 N -4.50 7.47 -4.11 0.00 5.75 -1.26 -4.88 116.55 115.02 1xkl n ASP 72 Ca -0.06 -3.65 -0.33 0.00 -0.01 0.00 0.00 54.79 50.74 1xkl n ASP 72 Cb 0.28 -1.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.22 1xkl n ASP 72 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1xkl s GLU 73 N -3.44 2.74 0.33 0.11 2.12 -1.10 -5.12 118.70 114.34 1xkl s GLU 73 Ca 0.58 -1.00 0.07 0.00 0.36 0.00 0.00 54.97 54.98 1xkl s GLU 73 Cb 0.46 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 1xkl s GLU 73 CO -0.02 -0.33 0.30 0.15 -0.54 0.00 0.00 175.26 174.82 1xkl s LYS 74 N 1.23 2.79 0.18 4.30 3.01 -1.26 -4.57 119.74 125.42 1xkl s LYS 74 Ca 0.00 -1.24 0.01 0.00 -1.01 0.00 0.00 55.97 53.74 1xkl s LYS 74 Cb -0.15 -2.52 -0.05 0.00 -1.01 0.00 0.00 37.83 34.10 1xkl s LYS 74 CO -0.10 0.13 0.02 0.14 0.51 0.00 0.00 175.35 176.05 1xkl s VAL 75 N -2.27 0.61 -0.22 3.17 -7.23 -0.85 -4.48 120.40 109.13 1xkl s VAL 75 Ca 0.40 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1xkl s VAL 75 Cb -0.06 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1xkl s VAL 75 CO 0.27 -0.40 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.03 1xkl s ILE 76 N -3.71 3.81 -0.11 -0.62 1.01 -0.34 -0.57 121.20 120.68 1xkl s ILE 76 Ca 0.26 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 1xkl s ILE 76 Cb 0.06 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1xkl s ILE 76 CO 0.05 0.41 0.44 -0.76 0.00 0.00 0.00 174.94 175.08 1xkl s LEU 77 N 1.27 4.29 -0.21 2.97 1.43 -0.47 -0.63 118.68 127.33 1xkl s LEU 77 Ca 0.04 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1xkl s LEU 77 Cb -0.15 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.49 1xkl s LEU 77 CO 0.01 0.05 -0.07 -0.69 0.23 0.00 0.00 176.35 175.87 1xkl s VAL 78 N 0.42 1.53 -0.12 -1.59 1.01 -0.13 0.10 120.40 121.63 1xkl s VAL 78 Ca 0.24 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1xkl s VAL 78 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1xkl s VAL 78 CO 0.10 0.03 -0.09 -0.83 0.00 0.00 0.00 175.10 174.31 1xkl s GLY 79 N 1.42 1.64 -0.09 4.51 0.00 0.43 -0.44 107.32 114.78 1xkl s GLY 79 Ca -0.03 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1xkl s GLY 79 CO -0.07 -0.32 -0.10 -1.58 0.00 0.00 0.00 173.10 171.03 1xkl s HIS 80 N -0.02 2.86 0.00 1.90 5.65 -0.52 -0.28 115.29 124.88 1xkl s HIS 80 Ca -0.01 -0.26 0.00 0.00 0.25 0.00 0.00 55.06 55.04 1xkl s HIS 80 Cb -0.14 -1.77 0.00 0.00 -1.18 0.00 0.00 32.58 29.50 1xkl s HIS 80 CO 0.03 0.08 0.00 0.45 -0.65 0.00 0.00 174.74 174.66 1xkl n SER 81 N 2.82 0.00 0.32 9.88 2.88 -1.10 0.64 113.62 129.06 1xkl n SER 81 Ca -0.18 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.55 1xkl n SER 81 Cb 0.53 0.00 1.05 0.00 -0.75 0.00 0.00 64.21 65.04 1xkl n SER 81 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1xkl h LEU 82 N 0.00 0.00 -1.62 2.46 5.85 -1.88 -1.14 115.31 118.97 1xkl h LEU 82 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xkl h LEU 82 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1xkl h LEU 82 CO 0.00 0.01 0.22 1.23 -0.34 0.00 0.00 178.44 179.56 1xkl h GLY 83 N 0.09 0.00 -1.75 3.75 0.00 0.18 -3.22 103.07 102.13 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 -1.24 0.60 1.73 4.60 0.00 -0.59 -1.62 105.19 108.68 1xkl n GLY 84 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.71 0.00 -0.05 1.61 4.13 -1.22 -2.15 115.26 118.30 1xkl n ASN 86 Ca 0.00 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.30 1xkl n ASN 86 Cb 0.14 0.00 0.40 0.00 -1.54 0.00 0.00 39.78 38.78 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 0.53 -0.44 3.41 4.07 -1.62 -2.54 115.31 118.72 1xkl h LEU 87 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1xkl h LEU 87 Cb 0.00 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1xkl h LEU 87 CO 0.00 0.38 0.29 1.23 -1.08 0.00 0.00 178.44 179.25 1xkl h GLY 88 N 0.63 0.62 1.17 0.83 0.00 -1.72 -2.73 103.07 101.86 1xkl h GLY 88 Ca 0.19 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1xkl h GLY 88 CO -0.05 0.23 0.16 1.41 0.00 0.00 0.00 176.54 178.29 1xkl h LEU 89 N 0.59 0.98 -1.99 3.11 3.38 -1.78 -1.02 115.31 118.57 1xkl h LEU 89 Ca 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xkl h LEU 89 Cb -0.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1xkl h LEU 89 CO -0.03 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.44 1xkl n ALA 90 N -2.46 2.01 0.00 1.53 0.00 -1.03 -1.90 120.51 118.66 1xkl n ALA 90 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1xkl n ALA 90 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.74 0.00 0.02 0.00 4.07 -0.39 -0.93 120.64 124.14 1xkl n GLU 92 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 1xkl n GLU 92 Cb 0.25 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.49 1xkl n GLU 92 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1xkl h LYS 93 N 0.00 0.19 -1.49 5.31 3.64 -1.65 -3.41 116.57 119.16 1xkl h LYS 93 Ca 0.00 -0.33 -0.50 0.00 -1.27 0.00 0.00 60.65 58.55 1xkl h LYS 93 Cb 0.00 0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 31.53 1xkl h LYS 93 CO 0.00 0.99 -0.92 0.66 -2.27 0.00 0.00 179.45 177.91 1xkl n TYR 94 N -3.36 2.45 -0.36 1.91 4.01 -0.11 -4.92 117.16 116.79 1xkl n TYR 94 Ca -0.22 -3.18 0.11 0.00 -0.16 0.00 0.00 57.90 54.44 1xkl n TYR 94 Cb 1.05 -0.26 0.29 0.00 -0.31 0.00 0.00 39.34 40.11 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 2.81 0.83 0.00 -0.72 0.13 -1.80 -0.81 132.00 132.44 1xkl h PRO 95 Ca 0.13 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xkl h PRO 95 Cb 0.96 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1xkl h PRO 95 CO 0.70 0.55 0.00 1.04 -0.23 0.00 0.00 178.00 180.05 1xkl n GLN 96 N -4.71 0.03 -0.21 0.86 1.13 -1.26 -2.79 117.38 110.44 1xkl n GLN 96 Ca 0.22 0.16 0.11 0.00 -1.94 0.00 0.00 57.00 55.54 1xkl n GLN 96 Cb 0.49 -1.50 0.27 0.00 0.11 0.00 0.00 30.24 29.61 1xkl n GLN 96 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1xkl n LYS 97 N -1.47 2.29 -4.30 -1.09 5.02 -0.31 -4.87 118.16 113.43 1xkl n LYS 97 Ca 0.05 -1.97 -0.31 0.00 -2.02 0.00 0.00 58.31 54.06 1xkl n LYS 97 Cb 0.22 -1.47 -0.16 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.46 1.86 0.03 -0.18 1.01 -1.12 -2.01 121.20 119.33 1xkl s ILE 98 Ca 0.38 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 1xkl s ILE 98 Cb 0.21 -1.68 -0.15 0.00 0.01 0.00 0.00 42.46 40.84 1xkl s ILE 98 CO 0.29 0.51 1.35 1.88 0.00 0.00 0.00 174.94 178.96 1xkl h TYR 99 N 7.72 0.30 -2.26 3.97 0.99 -1.15 -3.46 116.97 123.09 1xkl h TYR 99 Ca -0.38 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.21 1xkl h TYR 99 Cb 1.16 -0.07 -0.18 0.00 1.00 0.00 0.00 36.73 38.65 1xkl h TYR 99 CO 0.47 0.64 0.18 0.00 -0.00 0.00 0.00 178.16 179.45 1xkl s ALA 100 N -4.40 -1.69 -0.21 3.88 0.00 -1.25 -4.54 121.76 113.55 1xkl s ALA 100 Ca -0.15 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 1xkl s ALA 100 Cb 0.04 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1xkl s ALA 100 CO 0.73 -0.45 -0.07 0.00 0.00 0.00 0.00 175.76 175.97 1xkl s ALA 101 N -1.75 2.74 -0.21 0.00 0.00 -0.17 -1.36 121.76 121.00 1xkl s ALA 101 Ca -0.08 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 1xkl s ALA 101 Cb -0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 1xkl s ALA 101 CO 0.05 -0.38 0.05 0.08 0.00 0.00 0.00 175.76 175.55 1xkl s VAL 102 N 1.39 4.38 -0.40 0.00 1.01 0.29 -1.14 120.40 125.92 1xkl s VAL 102 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1xkl s VAL 102 Cb -0.14 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.29 1xkl s VAL 102 CO -0.04 0.40 0.24 -0.36 0.00 0.00 0.00 175.10 175.34 1xkl s PHE 103 N 1.04 3.29 -0.47 5.22 0.40 0.11 -0.43 117.98 127.14 1xkl s PHE 103 Ca 0.03 -1.29 -0.19 0.00 -0.60 0.00 0.00 56.93 54.88 1xkl s PHE 103 Cb -0.14 -2.74 0.04 0.00 0.51 0.00 0.00 43.02 40.69 1xkl s PHE 103 CO 0.03 -0.77 0.59 -1.17 0.70 0.00 0.00 175.22 174.60 1xkl s LEU 104 N 1.48 4.85 -1.77 -0.37 2.96 0.62 -0.78 118.68 125.68 1xkl s LEU 104 Ca 0.02 -0.74 -0.17 0.00 -0.22 0.00 0.00 54.13 53.03 1xkl s LEU 104 Cb -0.22 -2.50 0.16 0.00 0.50 0.00 0.00 46.19 44.14 1xkl s LEU 104 CO 0.04 -0.80 0.47 0.00 -1.32 0.00 0.00 176.35 174.74 1xkl n ALA 105 N 6.07 -1.44 -2.33 5.97 0.00 -0.63 -2.71 120.51 125.44 1xkl n ALA 105 Ca -0.06 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1xkl n ALA 105 Cb 0.46 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 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 -3.56 3.98 0.83 0.00 0.00 -1.26 -2.93 121.76 118.82 1xkl s ALA 106 Ca 0.59 -1.83 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 1xkl s ALA 106 Cb -0.34 -0.74 0.14 0.00 0.00 0.00 0.00 23.12 22.18 1xkl s ALA 106 CO 1.00 -0.25 0.88 1.19 0.00 0.00 0.00 175.76 178.58 1xkl n PHE 107 N -1.49 -3.53 -4.07 0.00 3.01 -0.54 -4.85 117.46 105.99 1xkl n PHE 107 Ca 0.01 -1.10 -0.15 0.00 1.01 0.00 0.00 57.45 57.22 1xkl n PHE 107 Cb 0.63 -0.66 -0.03 0.00 -0.01 0.00 0.00 39.48 39.41 1xkl n PHE 107 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1xkl s PRO 109 N -4.82 2.01 0.30 -1.08 0.02 -1.26 -3.95 135.00 126.22 1xkl s PRO 109 Ca 0.53 -1.79 0.04 0.00 0.02 0.00 0.00 61.00 59.80 1xkl s PRO 109 Cb -0.02 0.46 -0.04 0.00 0.02 0.00 0.00 34.50 34.93 1xkl s PRO 109 CO 0.37 -0.85 0.18 0.16 -0.33 0.00 0.00 177.00 176.53 1xkl s ASP 110 N -3.25 1.39 -0.35 2.53 3.84 -1.26 -4.96 116.67 114.62 1xkl s ASP 110 Ca 0.30 -1.58 0.06 0.00 -0.00 0.00 0.00 52.55 51.33 1xkl s ASP 110 Cb -0.01 0.43 0.47 0.00 -1.38 0.00 0.00 42.92 42.43 1xkl s ASP 110 CO 0.21 -0.92 1.42 -1.54 -0.00 0.00 0.00 175.17 174.34 1xkl n SER 111 N -0.99 4.24 0.00 2.11 3.41 -1.26 -4.65 113.62 116.48 1xkl n SER 111 Ca 0.03 -3.79 -0.02 0.00 -0.26 0.00 0.00 58.87 54.83 1xkl n SER 111 Cb 0.64 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1xkl n SER 111 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xkl n VAL 112 N -0.92 0.43 -2.71 -3.33 0.31 -1.26 -4.50 118.33 106.35 1xkl n VAL 112 Ca 0.41 0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 64.65 1xkl n VAL 112 Cb 0.92 -1.57 0.08 0.00 -0.91 0.00 0.00 33.84 32.36 1xkl n VAL 112 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1xkl n HIS 113 N -3.24 -2.83 -0.99 3.52 8.25 -1.26 -5.07 115.22 113.61 1xkl n HIS 113 Ca -0.04 -1.49 -0.31 0.00 -0.26 0.00 0.00 57.72 55.62 1xkl n HIS 113 Cb 0.40 -0.53 0.13 0.00 1.12 0.00 0.00 29.99 31.12 1xkl n HIS 113 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1xkl s ASN 114 N -4.09 3.65 0.60 0.41 0.01 -1.26 -4.84 114.94 109.43 1xkl s ASN 114 Ca 0.51 2.07 0.40 0.00 -0.71 0.00 0.00 52.86 55.12 1xkl s ASN 114 Cb -0.03 -2.55 1.98 0.00 0.41 0.00 0.00 41.25 41.05 1xkl s ASN 114 CO 0.33 -2.61 2.19 0.28 -1.51 0.00 0.00 177.10 175.78 1xkl h SER 115 N -1.43 0.00 0.34 -1.22 0.02 -1.16 -1.80 113.55 108.29 1xkl h SER 115 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1xkl h SER 115 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1xkl h SER 115 CO 0.46 0.00 -0.13 -1.54 -1.14 0.00 0.00 176.83 174.48 1xkl n SER 116 N -3.03 0.58 -0.26 3.07 3.41 -1.00 -4.53 113.62 111.86 1xkl n SER 116 Ca -0.02 -0.64 -0.07 0.00 -0.26 0.00 0.00 58.87 57.88 1xkl n SER 116 Cb 0.16 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.70 -1.21 -0.11 7.33 3.57 -1.64 0.28 116.94 125.87 1xkl h PHE 117 Ca 0.00 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1xkl h PHE 117 Cb 0.39 0.61 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1xkl h PHE 117 CO 0.00 -0.24 -0.08 -0.39 -2.23 0.00 0.00 178.31 175.37 1xkl h VAL 118 N -0.02 1.13 -0.42 1.41 -1.51 -1.85 -0.71 116.25 114.29 1xkl h VAL 118 Ca 0.10 -0.55 -0.13 0.00 -1.23 0.00 0.00 66.70 64.89 1xkl h VAL 118 Cb 0.27 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 1xkl h VAL 118 CO -0.59 0.17 -0.27 -0.07 -1.23 0.00 0.00 177.57 175.59 1xkl h LEU 119 N 0.16 0.91 -0.34 4.19 3.38 -1.53 0.12 115.31 122.20 1xkl h LEU 119 Ca 0.04 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1xkl h LEU 119 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xkl h LEU 119 CO 0.01 1.12 -0.05 -0.33 0.09 0.00 0.00 178.44 179.29 1xkl h GLU 120 N 0.76 0.64 -0.76 1.13 5.08 -0.43 -2.08 114.58 118.92 1xkl h GLU 120 Ca 0.09 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1xkl h GLU 120 Cb 0.82 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1xkl h GLU 120 CO 0.07 0.79 0.46 1.96 -1.00 0.00 0.00 179.01 181.30 1xkl h GLN 121 N 0.44 1.03 -0.12 2.33 1.08 -0.91 -1.08 115.11 117.87 1xkl h GLN 121 Ca 0.09 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1xkl h GLN 121 Cb 0.53 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1xkl h GLN 121 CO 0.03 0.71 0.04 -0.92 -0.95 0.00 0.00 178.83 177.74 1xkl h TYR 122 N 1.05 0.19 0.00 2.96 3.20 -0.50 -1.13 116.97 122.73 1xkl h TYR 122 Ca 0.27 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 1xkl h TYR 122 Cb -0.05 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1xkl h TYR 122 CO 0.00 0.30 -0.35 -0.91 -1.64 0.00 0.00 178.16 175.56 1xkl h ASN 123 N 0.03 0.00 1.05 -2.11 2.35 -1.12 -1.23 115.58 114.55 1xkl h ASN 123 Ca 0.04 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.60 1xkl h ASN 123 Cb 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1xkl h ASN 123 CO -0.00 0.35 -0.97 -0.33 -1.65 0.00 0.00 177.43 174.82 1xkl h GLU 124 N 0.00 0.00 -0.01 0.81 5.08 -1.04 -3.30 114.58 116.12 1xkl h GLU 124 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xkl h GLU 124 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xkl h GLU 124 CO 0.04 0.80 -0.57 0.54 -1.00 0.00 0.00 179.01 178.82 1xkl n ARG 125 N -3.27 0.53 -3.99 2.33 1.74 -0.44 -4.81 116.66 108.74 1xkl n ARG 125 Ca -0.02 -0.39 -0.34 0.00 -0.77 0.00 0.00 57.85 56.33 1xkl n ARG 125 Cb 0.90 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.70 1xkl n ARG 125 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1xkl s THR 126 N -2.74 2.81 0.40 0.55 2.01 -0.48 -5.07 115.64 113.11 1xkl s THR 126 Ca 0.15 -0.74 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 1xkl s THR 126 Cb 0.18 -2.27 -0.11 0.00 0.01 0.00 0.00 72.50 70.31 1xkl s THR 126 CO 0.67 0.43 1.35 -0.81 -0.69 0.00 0.00 174.62 175.57 1xkl n PRO 127 N 4.71 2.20 -0.15 4.92 -0.04 -1.26 -4.74 135.00 140.65 1xkl n PRO 127 Ca -0.19 0.78 0.10 0.00 -0.04 0.00 0.00 63.50 64.15 1xkl n PRO 127 Cb 0.50 -2.47 0.43 0.00 -0.04 0.00 0.00 33.50 31.92 1xkl n PRO 127 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xkl h ALA 128 N 2.43 1.88 0.00 0.55 0.00 -1.99 -1.66 119.26 120.48 1xkl h ALA 128 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xkl h ALA 128 Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xkl h ALA 128 CO 0.62 -0.02 0.00 1.05 0.00 0.00 0.00 179.25 180.89 1xkl h GLU 129 N 0.57 0.00 0.00 0.00 9.09 -1.97 -2.34 114.58 119.93 1xkl h GLU 129 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 1xkl h GLU 129 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1xkl h GLU 129 CO -0.11 0.00 0.00 -0.97 0.05 0.00 0.00 179.01 177.98 1xkl h ASN 130 N 0.00 0.00 1.44 3.06 -0.73 -1.66 -2.76 115.58 114.93 1xkl h ASN 130 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1xkl h ASN 130 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1xkl h ASN 130 CO 0.00 0.00 0.00 -0.50 -0.37 0.00 0.00 177.43 176.56 1xkl h TRP 131 N 0.00 0.00 0.00 0.67 4.06 -1.60 -3.48 115.95 115.60 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 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 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 -2.94 0.00 -0.68 -4.49 4.77 -1.04 -1.35 117.00 111.26 1xkl n LEU 132 Ca 0.03 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.07 1xkl n LEU 132 Cb 0.40 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.67 1xkl n LEU 132 CO 0.30 0.00 0.64 -0.90 -1.33 0.00 0.00 177.39 176.10 1xkl n ASP 133 N 6.13 1.98 -4.73 -1.43 3.85 -1.26 -4.94 116.55 116.15 1xkl n ASP 133 Ca 0.00 -1.99 -0.42 0.00 -0.71 0.00 0.00 54.79 51.67 1xkl n ASP 133 Cb 0.00 -0.24 -0.00 0.00 -1.35 0.00 0.00 41.12 39.52 1xkl n ASP 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1xkl n THR 134 N 0.58 2.05 -3.95 2.12 -1.04 -0.46 -3.91 114.28 109.67 1xkl n THR 134 Ca 0.13 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.29 1xkl n THR 134 Cb 0.31 -1.74 -0.09 0.00 -1.82 0.00 0.00 70.33 67.00 1xkl n THR 134 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1xkl s GLN 135 N -2.00 3.93 -0.25 -2.82 -0.21 0.72 -4.88 119.66 114.14 1xkl s GLN 135 Ca 0.55 -0.30 0.03 0.00 0.02 0.00 0.00 55.36 55.65 1xkl s GLN 135 Cb -0.53 -3.24 0.06 0.00 1.00 0.00 0.00 33.01 30.31 1xkl s GLN 135 CO 0.63 0.35 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.98 1xkl s PHE 136 N 0.18 3.10 -0.00 0.91 0.08 -1.26 -0.69 117.98 120.29 1xkl s PHE 136 Ca 0.06 -2.20 0.05 0.00 0.12 0.00 0.00 56.93 54.96 1xkl s PHE 136 Cb -0.12 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1xkl s PHE 136 CO 0.00 -0.86 -0.17 -0.51 -0.10 0.00 0.00 175.22 173.58 1xkl s LEU 137 N 1.16 2.06 0.20 -0.37 1.43 -0.68 -4.95 118.68 117.53 1xkl s LEU 137 Ca -0.08 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.44 1xkl s LEU 137 Cb -0.19 -0.86 -0.08 0.00 0.03 0.00 0.00 46.19 45.08 1xkl s LEU 137 CO -0.06 0.19 0.78 -2.16 0.23 0.00 0.00 176.35 175.34 1xkl s PRO 138 N -0.55 4.49 -0.01 1.29 0.04 -1.26 0.11 135.00 139.11 1xkl s PRO 138 Ca 0.06 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1xkl s PRO 138 Cb -0.07 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.38 1xkl s PRO 138 CO -0.00 0.49 0.79 2.48 0.04 0.00 0.00 177.00 180.80 1xkl n TYR 139 N 1.26 0.00 -0.36 0.56 4.11 0.83 -4.91 117.16 118.64 1xkl n TYR 139 Ca -0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 57.90 57.70 1xkl n TYR 139 Cb 0.49 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.80 1xkl n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xkl n GLY 140 N -0.20 4.30 3.26 -7.48 0.00 -1.15 -4.84 105.19 99.08 1xkl n GLY 140 Ca 0.02 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 1xkl n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xkl s SER 141 N 0.47 1.10 0.40 1.61 1.04 -0.54 -4.80 113.70 112.98 1xkl s SER 141 Ca 0.00 -1.27 0.14 0.00 0.48 0.00 0.00 55.95 55.30 1xkl s SER 141 Cb 0.00 0.16 0.99 0.00 0.10 0.00 0.00 66.02 67.27 1xkl s SER 141 CO 0.00 -0.66 1.90 1.55 0.98 0.00 0.00 173.24 177.01 1xkl h PRO 142 N 2.58 0.48 0.00 4.02 0.13 -2.01 0.23 132.00 137.43 1xkl h PRO 142 Ca -0.37 -0.03 -0.26 0.00 -0.87 0.00 0.00 66.00 64.47 1xkl h PRO 142 Cb 1.22 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1xkl h PRO 142 CO 0.61 0.32 -1.53 1.05 -0.23 0.00 0.00 178.00 178.22 1xkl h GLU 143 N 0.49 0.00 -2.14 0.86 4.11 -2.06 -3.39 114.58 112.46 1xkl h GLU 143 Ca 0.40 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 59.25 1xkl h GLU 143 Cb 0.85 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.69 1xkl h GLU 143 CO -0.15 0.56 -0.76 0.39 0.07 0.00 0.00 179.01 179.11 1xkl n GLU 144 N -3.08 2.07 -1.85 1.06 4.71 -0.83 -5.10 120.64 117.60 1xkl n GLU 144 Ca -0.13 -4.26 -0.40 0.00 -0.01 0.00 0.00 57.16 52.37 1xkl n GLU 144 Cb 1.00 -1.96 0.01 0.00 -1.01 0.00 0.00 31.44 29.49 1xkl n GLU 144 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1xkl s PRO 145 N -2.26 3.72 -0.08 3.49 0.04 0.73 -1.46 135.00 139.18 1xkl s PRO 145 Ca 0.40 2.36 -0.06 0.00 0.04 0.00 0.00 61.00 63.74 1xkl s PRO 145 Cb 0.18 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 32.09 1xkl s PRO 145 CO -0.05 -0.76 0.21 -0.51 0.04 0.00 0.00 177.00 175.92 1xkl s LEU 146 N -2.69 0.91 -0.03 -3.56 1.43 -1.26 -4.81 118.68 108.65 1xkl s LEU 146 Ca 0.61 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1xkl s LEU 146 Cb -0.42 0.65 0.02 0.00 0.03 0.00 0.00 46.19 46.47 1xkl s LEU 146 CO 0.54 -0.11 -0.03 -0.89 0.23 0.00 0.00 176.35 176.10 1xkl s THR 147 N 0.62 0.37 0.00 5.49 2.01 -1.26 -0.12 115.64 122.74 1xkl s THR 147 Ca -0.04 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1xkl s THR 147 Cb -0.06 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.04 1xkl s THR 147 CO -0.03 0.18 0.00 -1.54 -0.69 0.00 0.00 174.62 172.54 1xkl n SER 148 N 4.00 0.00 0.00 3.53 3.41 0.12 -4.43 113.62 120.25 1xkl n SER 148 Ca -0.26 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1xkl n SER 148 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.18 0.00 -1.97 7.33 7.35 0.13 -1.68 117.46 128.44 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 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 1xkl n PHE 150 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1xkl s PHE 151 N 0.00 3.07 0.71 -5.13 0.08 -1.26 -0.20 117.98 115.26 1xkl s PHE 151 Ca 0.00 0.73 -0.05 0.00 0.12 0.00 0.00 56.93 57.73 1xkl s PHE 151 Cb 0.00 -3.88 0.09 0.00 -0.57 0.00 0.00 43.02 38.66 1xkl s PHE 151 CO 0.00 -3.17 1.01 0.20 -0.10 0.00 0.00 175.22 173.15 1xkl s GLY 152 N 1.00 1.74 0.36 4.36 0.00 -1.25 -4.88 107.32 108.64 1xkl s GLY 152 Ca 0.68 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 44.23 1xkl s GLY 152 CO 0.33 -0.74 1.99 -0.56 0.00 0.00 0.00 173.10 174.12 1xkl h PRO 153 N -0.59 0.77 -0.03 2.90 0.13 -1.95 -1.68 132.00 131.55 1xkl h PRO 153 Ca -0.42 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1xkl h PRO 153 Cb 1.29 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xkl h PRO 153 CO 0.52 0.51 -0.02 0.87 -0.23 0.00 0.00 178.00 179.64 1xkl h LYS 154 N 0.79 0.06 -0.94 0.86 6.56 -1.94 -1.72 116.57 120.24 1xkl h LYS 154 Ca 0.26 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.85 1xkl h LYS 154 Cb 0.07 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.68 1xkl h LYS 154 CO -0.07 0.52 0.62 0.35 -2.06 0.00 0.00 179.45 178.80 1xkl h PHE 155 N -0.39 1.16 -0.08 -1.35 3.04 -1.79 0.32 116.94 117.84 1xkl h PHE 155 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1xkl h PHE 155 Cb 0.50 -0.39 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 1xkl h PHE 155 CO 0.09 0.69 0.03 -0.07 -2.02 0.00 0.00 178.31 177.03 1xkl h LEU 156 N 1.22 0.12 -0.22 0.59 3.38 -1.25 -0.18 115.31 118.97 1xkl h LEU 156 Ca 0.36 -0.20 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 1xkl h LEU 156 Cb -0.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xkl h LEU 156 CO -0.10 0.29 -0.88 0.00 0.09 0.00 0.00 178.44 177.85 1xkl h ALA 157 N 0.83 0.41 0.00 1.53 0.00 -0.98 0.13 119.26 121.18 1xkl h ALA 157 Ca 0.03 -0.67 -0.28 0.00 0.00 0.00 0.00 54.91 53.98 1xkl h ALA 157 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1xkl h ALA 157 CO -0.00 0.78 -1.64 0.45 0.00 0.00 0.00 179.25 178.84 1xkl h HIS 158 N 0.28 0.00 0.00 0.00 3.86 -0.43 -2.76 115.15 116.10 1xkl h HIS 158 Ca -0.07 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.04 1xkl h HIS 158 Cb 1.50 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.95 1xkl h HIS 158 CO 0.06 1.00 -1.63 1.63 0.86 0.00 0.00 177.93 179.85 1xkl n LYS 159 N -3.07 1.30 -0.07 2.45 4.76 -0.09 -4.61 118.16 118.83 1xkl n LYS 159 Ca -0.15 -0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.09 1xkl n LYS 159 Cb 1.04 -1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 32.90 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 -2.15 1.78 -1.25 -0.35 4.77 -1.06 -1.59 117.00 117.15 1xkl n LEU 160 Ca -0.10 0.09 0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1xkl n LEU 160 Cb 0.58 -0.46 0.31 0.00 -2.33 0.00 0.00 43.42 41.51 1xkl n LEU 160 CO 0.23 0.47 0.76 -1.22 -1.33 0.00 0.00 177.39 176.31 1xkl n TYR 161 N -3.39 1.30 0.21 -1.77 4.02 0.41 -2.91 117.16 115.03 1xkl n TYR 161 Ca -0.28 -0.76 0.18 0.00 -0.01 0.00 0.00 57.90 57.03 1xkl n TYR 161 Cb 0.73 -0.33 0.82 0.00 -0.02 0.00 0.00 39.34 40.54 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 2.77 0.00 -0.30 -0.72 -0.00 -1.69 0.92 115.11 116.08 1xkl h GLN 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xkl h GLN 162 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.01 1xkl h GLN 162 CO 0.28 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.39 1xkl n LEU 163 N -3.49 3.62 -4.92 0.06 4.77 -1.26 -5.00 117.00 110.78 1xkl n LEU 163 Ca 0.02 -2.67 -0.20 0.00 -0.03 0.00 0.00 56.01 53.12 1xkl n LEU 163 Cb 0.42 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1xkl n LEU 163 CO 0.23 0.69 -0.03 0.00 -1.33 0.00 0.00 177.39 176.95 1xkl s SER 165 N -4.04 3.65 0.41 0.00 1.04 -1.26 -4.89 113.70 108.61 1xkl s SER 165 Ca 0.40 1.55 0.19 0.00 0.48 0.00 0.00 55.95 58.58 1xkl s SER 165 Cb -0.08 -2.23 0.87 0.00 0.10 0.00 0.00 66.02 64.68 1xkl s SER 165 CO 0.28 -2.54 1.84 1.55 0.98 0.00 0.00 173.24 175.35 1xkl h PRO 166 N -1.48 0.00 -0.30 4.02 0.13 -1.99 -2.61 132.00 129.77 1xkl h PRO 166 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1xkl h PRO 166 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1xkl h PRO 166 CO 0.54 0.31 -0.06 0.93 -0.23 0.00 0.00 178.00 179.49 1xkl h GLU 167 N 0.00 0.58 -0.78 0.86 3.07 -1.99 -1.81 114.58 114.50 1xkl h GLU 167 Ca -0.00 -0.22 -0.04 0.00 -0.50 0.00 0.00 59.36 58.60 1xkl h GLU 167 Cb 0.70 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.54 1xkl h GLU 167 CO 0.04 0.77 0.34 -0.44 -1.40 0.00 0.00 179.01 178.32 1xkl h ASP 168 N 0.35 1.05 -0.06 1.42 3.45 -1.87 -1.14 116.42 119.62 1xkl h ASP 168 Ca 0.08 -0.14 -0.08 0.00 0.43 0.00 0.00 57.03 57.32 1xkl h ASP 168 Cb 0.55 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1xkl h ASP 168 CO 0.03 0.91 -0.18 0.25 -1.57 0.00 0.00 179.24 178.67 1xkl h LEU 169 N 1.13 0.43 -0.47 1.55 5.85 -1.33 -1.70 115.31 120.76 1xkl h LEU 169 Ca 0.27 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1xkl h LEU 169 Cb 0.17 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1xkl h LEU 169 CO -0.03 0.63 -0.32 0.00 -0.34 0.00 0.00 178.44 178.38 1xkl h ALA 170 N 1.41 0.66 -0.45 1.25 0.00 -0.77 -1.33 119.26 120.03 1xkl h ALA 170 Ca 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1xkl h ALA 170 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xkl h ALA 170 CO 0.04 0.67 0.12 1.25 0.00 0.00 0.00 179.25 181.33 1xkl h LEU 171 N 0.76 0.67 -0.55 0.00 5.85 -0.89 -2.76 115.31 118.40 1xkl h LEU 171 Ca 0.08 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1xkl h LEU 171 Cb 0.90 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1xkl h LEU 171 CO 0.08 0.72 0.02 0.00 -0.34 0.00 0.00 178.44 178.92 1xkl h ALA 172 N 0.98 0.73 0.00 1.25 0.00 -1.22 -2.51 119.26 118.50 1xkl h ALA 172 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1xkl h ALA 172 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xkl h ALA 172 CO -0.00 0.54 -0.06 0.77 0.00 0.00 0.00 179.25 180.50 1xkl h SER 173 N 0.83 0.00 0.07 0.00 0.02 -1.12 0.43 113.55 113.79 1xkl h SER 173 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1xkl h SER 173 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1xkl h SER 173 CO 0.02 0.06 -0.73 -1.54 -1.14 0.00 0.00 176.83 173.50 1xkl n SER 174 N -3.48 1.24 -0.00 3.07 3.41 -1.05 -4.48 113.62 112.33 1xkl n SER 174 Ca -0.02 -1.05 0.01 0.00 -0.26 0.00 0.00 58.87 57.55 1xkl n SER 174 Cb 0.18 0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.01 0.01 -4.77 1.04 4.77 -0.91 -5.06 117.00 111.07 1xkl n LEU 175 Ca 0.06 -0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1xkl n LEU 175 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1xkl n LEU 175 CO 0.37 0.00 1.12 1.33 -1.33 0.00 0.00 177.39 178.88 1xkl n VAL 176 N -1.45 2.21 -4.20 4.08 0.24 0.10 -4.78 118.33 114.53 1xkl n VAL 176 Ca -0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.67 1xkl n VAL 176 Cb 0.04 -1.95 -0.10 0.00 -1.47 0.00 0.00 33.84 30.35 1xkl n VAL 176 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1xkl s ARG 177 N -2.20 0.91 0.67 7.34 0.52 -0.98 -5.06 118.95 120.15 1xkl s ARG 177 Ca 0.55 -1.31 -0.17 0.00 -0.52 0.00 0.00 55.73 54.28 1xkl s ARG 177 Cb -0.47 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 34.55 1xkl s ARG 177 CO 0.62 0.05 1.26 -1.25 0.02 0.00 0.00 175.30 176.00 1xkl s PRO 178 N -3.44 2.47 0.00 3.54 0.04 -1.26 -4.07 135.00 132.28 1xkl s PRO 178 Ca 0.11 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1xkl s PRO 178 Cb 0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1xkl s PRO 178 CO -0.01 -1.64 0.00 0.45 0.04 0.00 0.00 177.00 175.84 1xkl n SER 179 N -2.09 0.00 -3.51 6.66 2.88 -1.26 -4.74 113.62 111.55 1xkl n SER 179 Ca 0.15 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.57 1xkl n SER 179 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 1xkl n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xkl s SER 180 N 1.11 -0.48 0.00 -3.46 0.15 -1.26 -4.30 113.70 105.46 1xkl s SER 180 Ca 0.00 0.27 0.24 0.00 0.70 0.00 0.00 55.95 57.16 1xkl s SER 180 Cb 0.00 0.45 0.23 0.00 -1.71 0.00 0.00 66.02 64.98 1xkl s SER 180 CO 0.00 -0.63 1.22 0.18 1.20 0.00 0.00 173.24 175.22 1xkl n LEU 181 N 0.24 1.08 -2.26 3.45 4.77 -1.26 -5.02 117.00 118.00 1xkl n LEU 181 Ca -0.13 -0.37 -0.00 0.00 -0.03 0.00 0.00 56.01 55.48 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 0.15 0.23 -0.26 0.49 -1.33 0.00 0.00 177.39 176.67 1xkl n PHE 182 N -1.01 -2.43 0.00 -1.77 3.72 -1.26 -4.91 117.46 109.79 1xkl n PHE 182 Ca 0.07 1.44 0.00 0.00 -0.05 0.00 0.00 57.45 58.91 1xkl n PHE 182 Cb 0.36 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.46 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 1.95 0.00 0.20 -1.08 4.07 -1.26 -1.78 120.64 122.73 1xkl n GLU 184 Ca -0.03 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.93 1xkl n GLU 184 Cb 0.04 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.35 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 -0.48 0.33 4.31 3.58 -1.89 -3.10 116.42 119.17 1xkl h ASP 185 Ca 0.00 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 1xkl h ASP 185 Cb 0.00 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1xkl h ASP 185 CO 0.00 -0.31 -0.18 -0.07 -2.88 0.00 0.00 179.24 175.81 1xkl h LEU 186 N -0.48 0.00 -0.65 2.28 3.38 -1.70 -2.80 115.31 115.34 1xkl h LEU 186 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xkl h LEU 186 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xkl h LEU 186 CO 0.03 0.18 -0.04 0.77 0.09 0.00 0.00 178.44 179.47 1xkl h SER 187 N 0.00 0.00 -0.51 -0.43 4.64 -1.80 -2.62 113.55 112.83 1xkl h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xkl h SER 187 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1xkl h SER 187 CO 0.02 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1xkl n LYS 188 N -3.12 2.51 -3.66 4.77 5.02 -1.05 -4.87 118.16 117.76 1xkl n LYS 188 Ca 0.02 -1.98 -0.09 0.00 -2.02 0.00 0.00 58.31 54.24 1xkl n LYS 188 Cb 0.45 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 1xkl n LYS 188 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xkl s ALA 189 N -1.46 -1.38 -0.62 7.82 0.00 -1.22 -5.08 121.76 119.82 1xkl s ALA 189 Ca 0.36 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1xkl s ALA 189 Cb 0.21 0.87 0.15 0.00 0.00 0.00 0.00 23.12 24.35 1xkl s ALA 189 CO 0.22 -0.91 0.40 0.21 0.00 0.00 0.00 175.76 175.68 1xkl s LYS 190 N -3.84 2.20 0.42 0.00 2.20 -1.26 -1.55 119.74 117.91 1xkl s LYS 190 Ca 0.06 -3.01 0.29 0.00 -0.36 0.00 0.00 55.97 52.96 1xkl s LYS 190 Cb -0.04 -3.29 1.13 0.00 -1.51 0.00 0.00 37.83 34.12 1xkl s LYS 190 CO -0.02 -1.22 1.85 1.88 -0.36 0.00 0.00 175.35 177.48 1xkl h TYR 191 N 5.85 0.00 -3.41 4.03 0.05 -1.92 -3.45 116.97 118.12 1xkl h TYR 191 Ca 0.06 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.18 1xkl h TYR 191 Cb 0.81 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.37 1xkl h TYR 191 CO 0.61 0.00 -0.66 -0.06 -1.05 0.00 0.00 178.16 177.00 1xkl s PHE 192 N -3.48 3.04 0.13 4.88 0.08 -1.26 -4.93 117.98 116.44 1xkl s PHE 192 Ca 0.03 -0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.12 1xkl s PHE 192 Cb 0.09 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1xkl s PHE 192 CO 0.50 0.22 -0.22 0.95 -0.10 0.00 0.00 175.22 176.56 1xkl s THR 193 N -0.32 1.94 0.43 0.64 -4.23 -1.26 -4.50 115.64 108.33 1xkl s THR 193 Ca 0.06 -1.71 0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1xkl s THR 193 Cb -0.12 -1.78 0.18 0.00 1.34 0.00 0.00 72.50 72.12 1xkl s THR 193 CO 0.02 -0.06 1.97 -0.78 -0.54 0.00 0.00 174.62 175.23 1xkl h ASP 194 N 3.81 0.11 -0.33 3.99 3.58 -1.95 -1.40 116.42 124.23 1xkl h ASP 194 Ca -0.47 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 56.86 1xkl h ASP 194 Cb 1.18 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 1xkl h ASP 194 CO 0.42 0.26 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.82 1xkl h GLU 195 N 0.11 0.78 0.00 0.28 4.57 -1.96 -2.82 114.58 115.54 1xkl h GLU 195 Ca 0.02 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1xkl h GLU 195 Cb 0.31 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1xkl h GLU 195 CO 0.02 0.87 0.00 0.54 -1.18 0.00 0.00 179.01 179.26 1xkl n ARG 196 N -4.15 0.00 -0.04 1.92 1.74 -1.13 -4.34 116.66 110.67 1xkl n ARG 196 Ca 0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1xkl n ARG 196 Cb 0.38 -0.23 -0.03 0.00 -1.02 0.00 0.00 32.46 31.57 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 -0.76 0.00 -1.55 3.57 -1.54 -1.60 116.94 115.06 1xkl h PHE 197 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xkl h PHE 197 Cb 0.00 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1xkl h PHE 197 CO 0.00 -0.36 0.00 0.41 -2.23 0.00 0.00 178.31 176.13 1xkl n GLY 198 N -1.39 -0.99 0.09 2.40 0.00 -0.62 -2.07 105.19 102.60 1xkl n GLY 198 Ca -0.01 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.16 0.72 -4.72 1.61 3.41 -0.60 -4.83 113.62 107.06 1xkl n SER 199 Ca 0.00 0.44 -0.41 0.00 -0.26 0.00 0.00 58.87 58.63 1xkl n SER 199 Cb 0.11 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 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 -3.11 4.82 0.02 -3.33 1.01 -0.88 -4.99 120.40 113.94 1xkl s VAL 200 Ca 0.10 1.94 -0.32 0.00 0.00 0.00 0.00 61.98 63.70 1xkl s VAL 200 Cb 0.13 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1xkl s VAL 200 CO 0.63 0.22 1.87 0.29 0.00 0.00 0.00 175.10 178.10 1xkl n LYS 201 N 3.60 2.51 -4.27 2.72 4.76 -1.26 -4.87 118.16 121.34 1xkl n LYS 201 Ca 0.04 0.92 -0.35 0.00 -2.87 0.00 0.00 58.31 56.04 1xkl n LYS 201 Cb 0.51 -2.80 -0.09 0.00 -1.84 0.00 0.00 35.03 30.81 1xkl n LYS 201 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1xkl s ARG 202 N 3.55 3.16 -0.03 1.97 0.52 -1.26 -1.00 118.95 125.85 1xkl s ARG 202 Ca 0.88 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.74 1xkl s ARG 202 Cb -0.57 -2.89 0.01 0.00 0.52 0.00 0.00 34.95 32.02 1xkl s ARG 202 CO 0.44 0.66 -0.07 0.08 0.02 0.00 0.00 175.30 176.44 1xkl s VAL 203 N -0.76 0.62 -0.06 3.52 1.01 -0.29 -0.35 120.40 124.09 1xkl s VAL 203 Ca 0.12 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1xkl s VAL 203 Cb -0.12 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1xkl s VAL 203 CO 0.02 0.21 -0.23 -0.47 0.00 0.00 0.00 175.10 174.64 1xkl s TYR 204 N 0.38 2.49 -0.29 5.22 6.14 -0.65 0.06 117.35 130.70 1xkl s TYR 204 Ca -0.05 -0.60 -0.03 0.00 0.64 0.00 0.00 57.07 57.03 1xkl s TYR 204 Cb -0.09 -1.61 0.04 0.00 0.42 0.00 0.00 41.96 40.72 1xkl s TYR 204 CO 0.00 -0.14 0.00 0.42 0.64 0.00 0.00 175.55 176.48 1xkl s ILE 205 N -0.27 3.13 0.04 3.14 1.01 0.04 -0.22 121.20 128.08 1xkl s ILE 205 Ca -0.00 -1.19 -0.25 0.00 0.00 0.00 0.00 60.65 59.21 1xkl s ILE 205 Cb -0.13 -2.72 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 1xkl s ILE 205 CO 0.03 -0.01 0.75 -0.69 0.00 0.00 0.00 174.94 175.02 1xkl s VAL 206 N 1.31 4.73 -0.40 2.92 1.01 0.11 -1.60 120.40 128.50 1xkl s VAL 206 Ca -0.03 1.60 -0.05 0.00 0.00 0.00 0.00 61.98 63.50 1xkl s VAL 206 Cb -0.19 -4.10 0.09 0.00 0.00 0.00 0.00 36.38 32.18 1xkl s VAL 206 CO -0.01 0.37 0.19 0.00 0.00 0.00 0.00 175.10 175.66 1xkl h THR 208 N 6.25 0.78 -0.42 0.00 1.35 -1.66 -2.25 112.91 116.97 1xkl h THR 208 Ca -0.19 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1xkl h THR 208 Cb 1.07 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1xkl h THR 208 CO 0.70 0.13 0.00 -0.62 -0.25 0.00 0.00 175.52 175.47 1xkl n GLU 209 N -4.61 3.85 -2.18 4.72 -0.58 -0.76 -4.56 120.64 116.52 1xkl n GLU 209 Ca 0.19 -2.30 -0.42 0.00 -0.42 0.00 0.00 57.16 54.21 1xkl n GLU 209 Cb 0.53 -2.06 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 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 -0.57 6.83 0.00 1.62 -1.08 -0.85 -4.50 116.67 118.13 1xkl s ASP 210 Ca 0.40 2.26 0.08 0.00 -0.52 0.00 0.00 52.55 54.77 1xkl s ASP 210 Cb 0.30 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 39.23 1xkl s ASP 210 CO 0.12 -0.68 0.70 0.29 0.52 0.00 0.00 175.17 176.12 1xkl n LYS 211 N 4.48 0.89 -0.10 4.34 5.02 -1.21 -3.77 118.16 127.81 1xkl n LYS 211 Ca 0.12 -0.84 -0.22 0.00 -2.02 0.00 0.00 58.31 55.35 1xkl n LYS 211 Cb 0.43 -1.11 -0.12 0.00 -0.02 0.00 0.00 35.03 34.21 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 1.68 0.02 -7.07 0.72 0.00 -1.64 -3.42 103.07 93.36 1xkl h GLY 212 Ca 0.00 -0.04 -0.62 0.00 0.00 0.00 0.00 47.33 46.67 1xkl h GLY 212 CO 0.00 0.04 -0.71 -0.42 0.00 0.00 0.00 176.54 175.45 1xkl s ILE 213 N -2.37 1.71 0.54 2.60 1.01 -1.26 -5.09 121.20 118.34 1xkl s ILE 213 Ca -0.29 -2.80 -0.19 0.00 0.00 0.00 0.00 60.65 57.37 1xkl s ILE 213 Cb 0.06 -2.19 -0.08 0.00 0.01 0.00 0.00 42.46 40.25 1xkl s ILE 213 CO 0.60 -0.88 0.68 -0.81 0.00 0.00 0.00 174.94 174.53 1xkl n PRO 214 N 3.36 0.70 -0.34 2.79 -0.04 -1.25 -4.69 135.00 135.54 1xkl n PRO 214 Ca 0.09 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1xkl n PRO 214 Cb 0.34 -1.83 0.34 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.51 0.72 -0.39 0.54 4.81 -1.80 -0.58 114.58 118.38 1xkl h GLU 215 Ca -0.46 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1xkl h GLU 215 Cb 1.38 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1xkl h GLU 215 CO 0.49 0.48 0.16 1.49 -0.73 0.00 0.00 179.01 180.90 1xkl h GLU 216 N 0.74 0.32 -0.56 1.92 4.81 -1.94 0.00 114.58 119.88 1xkl h GLU 216 Ca 0.56 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.67 1xkl h GLU 216 Cb 0.90 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1xkl h GLU 216 CO -0.34 0.21 -0.06 0.35 -0.73 0.00 0.00 179.01 178.44 1xkl h PHE 217 N 0.33 1.11 -0.18 0.92 3.57 -1.47 -0.94 116.94 120.29 1xkl h PHE 217 Ca 0.18 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1xkl h PHE 217 Cb 0.13 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1xkl h PHE 217 CO -0.13 1.01 0.03 1.96 -2.23 0.00 0.00 178.31 178.96 1xkl h GLN 218 N 0.91 0.10 -0.91 1.11 4.20 -0.75 -0.46 115.11 119.32 1xkl h GLN 218 Ca 0.15 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1xkl h GLN 218 Cb 0.61 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1xkl h GLN 218 CO 0.04 0.07 0.60 0.00 -0.67 0.00 0.00 178.83 178.86 1xkl h ARG 219 N 0.11 1.20 -0.62 1.46 3.08 -0.81 -2.09 114.38 116.71 1xkl h ARG 219 Ca 0.08 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1xkl h ARG 219 Cb 0.07 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 1xkl h ARG 219 CO -0.11 0.80 0.39 2.35 -1.07 0.00 0.00 179.97 182.33 1xkl h TRP 220 N 1.23 0.74 -0.48 3.04 7.01 -0.37 -0.02 115.95 127.10 1xkl h TRP 220 Ca 0.33 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.28 1xkl h TRP 220 Cb -0.13 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.66 1xkl h TRP 220 CO 0.00 0.44 -0.01 1.96 -2.79 0.00 0.00 178.44 178.04 1xkl h GLN 221 N 0.78 0.79 -0.47 2.65 4.20 -0.54 -0.77 115.11 121.76 1xkl h GLN 221 Ca 0.24 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1xkl h GLN 221 Cb -0.02 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1xkl h GLN 221 CO -0.08 0.81 0.14 0.82 -0.67 0.00 0.00 178.83 179.84 1xkl h ILE 222 N 0.74 1.23 0.00 2.54 2.04 -0.81 -2.31 117.51 120.93 1xkl h ILE 222 Ca 0.14 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1xkl h ILE 222 Cb 0.46 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1xkl h ILE 222 CO 0.02 0.28 0.00 0.47 0.00 0.00 0.00 178.15 178.92 1xkl n ASP 223 N -4.52 0.66 0.09 1.72 10.43 -0.08 -0.16 116.55 124.69 1xkl n ASP 223 Ca 0.01 0.63 -0.12 0.00 2.57 0.00 0.00 54.79 57.88 1xkl n ASP 223 Cb 0.20 -0.78 -0.11 0.00 1.84 0.00 0.00 41.12 42.27 1xkl n ASP 223 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 1xkl h ASN 224 N 0.00 0.26 0.00 -2.24 -1.24 -0.56 -3.41 115.58 108.39 1xkl h ASN 224 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1xkl h ASN 224 Cb 0.46 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1xkl h ASN 224 CO 0.00 1.18 -0.54 0.00 -1.29 0.00 0.00 177.43 176.78 1xkl n ILE 225 N -3.50 0.00 0.00 2.57 3.06 -1.17 -5.08 119.36 115.24 1xkl n ILE 225 Ca -0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1xkl n ILE 225 Cb 0.95 0.02 0.00 0.00 0.54 0.00 0.00 39.64 41.16 1xkl n ILE 225 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xkl n GLY 226 N 1.50 -1.28 3.12 4.50 0.00 0.77 -5.09 105.19 108.72 1xkl n GLY 226 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.39 0.48 0.27 1.61 -7.23 -1.26 -4.95 120.40 105.92 1xkl s VAL 227 Ca 0.00 -1.77 0.17 0.00 -1.81 0.00 0.00 61.98 58.58 1xkl s VAL 227 Cb 0.00 -1.46 0.12 0.00 0.56 0.00 0.00 36.38 35.60 1xkl s VAL 227 CO 0.00 -0.86 1.78 0.74 -0.31 0.00 0.00 175.10 176.45 1xkl h THR 228 N 3.25 1.02 -1.85 5.32 2.02 -1.08 -3.45 112.91 118.14 1xkl h THR 228 Ca -0.35 -1.42 0.02 0.00 0.77 0.00 0.00 66.41 65.44 1xkl h THR 228 Cb 1.16 1.83 -0.23 0.00 -1.74 0.00 0.00 68.15 69.17 1xkl h THR 228 CO 0.62 0.37 0.19 -0.70 0.37 0.00 0.00 175.52 176.37 1xkl s GLU 229 N -3.83 0.66 -0.28 6.66 2.12 -1.20 -5.05 118.70 117.78 1xkl s GLU 229 Ca -0.01 0.95 0.00 0.00 0.36 0.00 0.00 54.97 56.27 1xkl s GLU 229 Cb 0.12 0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.80 1xkl s GLU 229 CO 0.69 -0.11 -0.05 0.00 -0.54 0.00 0.00 175.26 175.26 1xkl s ALA 230 N 0.94 2.70 0.23 6.30 0.00 -1.26 -1.64 121.76 129.03 1xkl s ALA 230 Ca -0.04 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1xkl s ALA 230 Cb -0.05 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1xkl s ALA 230 CO -0.10 -1.18 0.40 0.42 0.00 0.00 0.00 175.76 175.30 1xkl s ILE 231 N 1.20 5.21 -0.03 0.00 -1.09 0.70 -4.98 121.20 122.21 1xkl s ILE 231 Ca -0.06 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1xkl s ILE 231 Cb -0.19 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1xkl s ILE 231 CO -0.03 -0.26 -0.08 -0.70 -1.23 0.00 0.00 174.94 172.64 1xkl s GLU 232 N -3.61 0.88 -0.53 2.79 2.12 -1.26 -0.71 118.70 118.38 1xkl s GLU 232 Ca 0.37 -0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1xkl s GLU 232 Cb -0.10 -0.83 0.14 0.00 0.26 0.00 0.00 34.13 33.59 1xkl s GLU 232 CO 0.30 0.09 0.30 0.42 -0.54 0.00 0.00 175.26 175.83 1xkl s ILE 233 N 0.25 3.16 0.22 -3.70 1.01 -0.04 -4.93 121.20 117.17 1xkl s ILE 233 Ca -0.04 -2.84 -0.30 0.00 0.00 0.00 0.00 60.65 57.47 1xkl s ILE 233 Cb -0.09 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 39.15 1xkl s ILE 233 CO 0.00 -0.79 1.48 -0.75 0.00 0.00 0.00 174.94 174.89 1xkl s LYS 234 N 0.19 4.24 0.00 2.79 2.20 -1.26 -2.91 119.74 124.99 1xkl s LYS 234 Ca 0.15 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 1xkl s LYS 234 Cb -0.22 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1xkl s LYS 234 CO -0.03 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 1xkl n GLY 235 N 2.69 1.34 3.77 5.54 0.00 -1.26 -4.96 105.19 112.31 1xkl n GLY 235 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.49 3.43 0.62 4.61 0.00 -1.14 -4.75 121.76 122.03 1xkl s ALA 236 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1xkl s ALA 236 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1xkl s ALA 236 CO 0.00 0.22 0.00 -0.40 0.00 0.00 0.00 175.76 175.58 1xkl n ASP 237 N 2.00 0.00 -2.23 0.00 5.68 -1.26 -1.83 116.55 118.90 1xkl n ASP 237 Ca -0.05 -0.32 0.00 0.00 -0.50 0.00 0.00 54.79 53.93 1xkl n ASP 237 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.51 0.00 0.00 2.11 -0.00 -1.15 -4.61 115.22 111.06 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 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 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 2.44 0.00 0.00 1.57 0.00 -1.26 -4.96 120.51 118.30 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 0.06 0.00 4.77 -1.26 -0.72 117.00 119.85 1xkl n LEU 242 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1xkl n LEU 242 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1xkl n LEU 242 CO 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.08 1xkl n GLU 244 N -2.29 1.07 -0.05 0.00 -0.58 0.10 -4.97 120.64 113.92 1xkl n GLU 244 Ca 0.01 -2.85 0.01 0.00 -0.42 0.00 0.00 57.16 53.91 1xkl n GLU 244 Cb 0.49 -1.18 0.33 0.00 -0.57 0.00 0.00 31.44 30.51 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 2.84 0.64 -0.19 3.49 0.13 -1.76 -1.80 132.00 135.35 1xkl h PRO 245 Ca -0.06 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.94 1xkl h PRO 245 Cb 1.11 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1xkl h PRO 245 CO 0.35 0.51 -0.08 1.96 -0.23 0.00 0.00 178.00 180.51 1xkl h GLN 246 N 0.64 0.40 -0.65 0.86 4.20 -1.93 -0.39 115.11 118.24 1xkl h GLN 246 Ca 0.16 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1xkl h GLN 246 Cb 0.09 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1xkl h GLN 246 CO -0.02 0.68 0.20 0.87 -0.67 0.00 0.00 178.83 179.89 1xkl h LYS 247 N 0.10 1.02 -0.34 1.46 1.57 -1.93 -1.34 116.57 117.10 1xkl h LYS 247 Ca 0.04 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1xkl h LYS 247 Cb 0.56 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1xkl h LYS 247 CO 0.03 0.89 0.21 1.25 -0.57 0.00 0.00 179.45 181.26 1xkl h LEU 248 N 0.95 0.40 -0.36 2.94 5.85 -1.24 0.04 115.31 123.88 1xkl h LEU 248 Ca 0.21 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1xkl h LEU 248 Cb 0.30 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1xkl h LEU 248 CO -0.01 0.32 0.14 0.00 -0.34 0.00 0.00 178.44 178.55 1xkl h ALA 250 N 1.22 0.73 -0.35 0.00 0.00 -0.80 -0.93 119.26 119.13 1xkl h ALA 250 Ca 0.16 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1xkl h ALA 250 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xkl h ALA 250 CO -0.15 0.06 0.16 0.77 0.00 0.00 0.00 179.25 180.09 1xkl h SER 251 N 0.67 0.21 0.11 0.00 0.02 -0.42 -1.31 113.55 112.84 1xkl h SER 251 Ca 0.23 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1xkl h SER 251 Cb 0.03 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1xkl h SER 251 CO -0.10 0.16 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.48 1xkl h LEU 252 N 0.33 0.18 -0.55 5.07 3.38 -0.74 -1.45 115.31 121.54 1xkl h LEU 252 Ca 0.15 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1xkl h LEU 252 Cb 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xkl h LEU 252 CO -0.12 0.40 -0.68 -0.07 0.09 0.00 0.00 178.44 178.05 1xkl h LEU 253 N 0.17 0.00 0.27 1.67 3.38 -0.66 -2.19 115.31 117.95 1xkl h LEU 253 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xkl h LEU 253 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xkl h LEU 253 CO 0.03 0.68 -0.13 -0.08 0.09 0.00 0.00 178.44 179.03 1xkl h GLU 254 N 0.00 -0.35 0.00 1.13 4.81 -0.77 -3.07 114.58 116.33 1xkl h GLU 254 Ca -0.01 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xkl h GLU 254 Cb 1.26 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1xkl h GLU 254 CO 0.09 -0.04 0.00 -0.84 -0.73 0.00 0.00 179.01 177.49 1xkl h ILE 255 N -0.98 0.00 0.00 2.32 3.07 -1.35 -1.37 117.51 119.20 1xkl h ILE 255 Ca -0.04 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1xkl h ILE 255 Cb 0.47 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 1xkl h ILE 255 CO 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.16 1xkl n ALA 256 N -1.87 2.27 -1.22 0.16 0.00 -0.82 -3.22 120.51 115.80 1xkl n ALA 256 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xkl n ALA 256 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1xkl n ALA 256 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1xkl n HIS 257 N -0.24 0.00 0.00 0.00 1.44 -0.57 -5.05 115.22 110.80 1xkl n HIS 257 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1xkl n HIS 257 Cb 0.09 0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.31 1xkl n HIS 257 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1xkl n LYS 258 N 0.00 0.00 0.00 -1.40 3.00 -0.86 -5.11 118.16 113.78 1xkl n LYS 258 Ca 0.00 0.09 0.12 0.00 -0.00 0.00 0.00 58.31 58.52 1xkl n LYS 258 Cb 0.30 -0.85 0.71 0.00 0.00 0.00 0.00 35.03 35.19 1xkl n LYS 258 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88