#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk0 n GLY 2 N 0.00 -0.97 2.04 3.03 0.00 -1.26 -4.98 105.19 103.04 2kk0 n GLY 2 Ca 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 2kk0 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk0 n HIS 3 N 0.78 1.20 -1.70 1.61 -0.00 -1.26 -5.09 115.22 110.76 2kk0 n HIS 3 Ca 0.00 -1.73 -0.42 0.00 -0.00 0.00 0.00 57.72 55.57 2kk0 n HIS 3 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.99 29.72 2kk0 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk0 s HIS 4 N -2.87 1.33 -0.96 4.41 2.46 -1.26 -4.84 115.29 113.55 2kk0 s HIS 4 Ca 0.36 -0.32 -0.20 0.00 0.47 0.00 0.00 55.06 55.37 2kk0 s HIS 4 Cb 0.36 -4.19 -0.10 0.00 -0.13 0.00 0.00 32.58 28.52 2kk0 s HIS 4 CO -0.05 -5.29 1.99 0.72 -2.47 0.00 0.00 174.74 169.64 2kk0 n HIS 5 N 7.89 2.36 -0.06 3.88 -0.00 -1.26 -4.73 115.22 123.29 2kk0 n HIS 5 Ca 0.21 -2.08 0.03 0.00 -0.00 0.00 0.00 57.72 55.88 2kk0 n HIS 5 Cb 0.42 -1.97 0.37 0.00 -0.00 0.00 0.00 29.99 28.80 2kk0 n HIS 5 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2kk0 h HIS 6 N 7.56 0.64 -0.54 4.41 2.07 -2.03 -2.18 115.15 125.08 2kk0 h HIS 6 Ca 0.45 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 2kk0 h HIS 6 Cb 0.68 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.45 2kk0 h HIS 6 CO 1.29 0.41 0.00 1.58 -3.07 0.00 0.00 177.93 178.15 2kk0 n HIS 7 N -4.45 1.13 -2.75 6.12 -0.00 -1.26 -4.61 115.22 109.40 2kk0 n HIS 7 Ca 0.04 -0.46 -0.01 0.00 -0.00 0.00 0.00 57.72 57.29 2kk0 n HIS 7 Cb 0.06 -0.17 0.02 0.00 -0.00 0.00 0.00 29.99 29.90 2kk0 n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk0 s HIS 8 N -1.68 -0.56 -1.39 1.57 0.00 -0.83 -5.00 115.29 107.40 2kk0 s HIS 8 Ca 0.41 -0.07 0.02 0.00 -3.00 0.00 0.00 55.06 52.41 2kk0 s HIS 8 Cb 0.25 0.11 0.07 0.00 -4.00 0.00 0.00 32.58 29.01 2kk0 s HIS 8 CO 0.21 -0.41 0.80 0.43 -1.00 0.00 0.00 174.74 174.77 2kk0 n SER 9 N 3.15 0.97 -4.62 7.38 7.64 -1.18 -4.79 113.62 122.16 2kk0 n SER 9 Ca 0.10 -2.05 -0.32 0.00 1.01 0.00 0.00 58.87 57.61 2kk0 n SER 9 Cb 0.63 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 2kk0 n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kk0 s HIS 10 N -1.48 2.92 0.18 1.43 0.09 -1.26 -5.13 115.29 112.04 2kk0 s HIS 10 Ca 0.05 -0.02 0.03 0.00 -0.00 0.00 0.00 55.06 55.12 2kk0 s HIS 10 Cb 0.03 -1.61 -0.05 0.00 -0.00 0.00 0.00 32.58 30.96 2kk0 s HIS 10 CO 0.02 0.40 -0.04 -1.64 -0.00 0.00 0.00 174.74 173.48 2kk0 s MET 11 N -1.55 1.16 -0.07 1.40 1.00 -1.26 -5.03 119.30 114.94 2kk0 s MET 11 Ca 0.18 -1.55 -0.01 0.00 0.00 0.00 0.00 55.69 54.32 2kk0 s MET 11 Cb -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 34.83 34.21 2kk0 s MET 11 CO 0.09 -0.04 2.26 -0.35 0.00 0.00 0.00 175.02 176.98 2kk0 n PRO 12 N -0.28 1.34 0.27 2.03 -0.04 -1.26 -4.57 135.00 132.49 2kk0 n PRO 12 Ca -0.08 -0.51 0.18 0.00 -0.04 0.00 0.00 63.50 63.05 2kk0 n PRO 12 Cb 0.62 -1.30 0.86 0.00 -0.04 0.00 0.00 33.50 33.65 2kk0 n PRO 12 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2kk0 h ASP 13 N 1.44 0.00 0.00 3.54 2.03 -1.97 -2.97 116.42 118.50 2kk0 h ASP 13 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2kk0 h ASP 13 Cb 1.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2kk0 h ASP 13 CO 0.20 0.00 0.00 1.41 -1.03 0.00 0.00 179.24 179.82 2kk0 n HIS 14 N -2.92 0.00 0.00 4.15 8.25 -1.26 -1.58 115.22 121.86 2kk0 n HIS 14 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kk0 n HIS 14 Cb 0.18 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2kk0 n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kk0 n GLY 15 N 0.21 1.71 3.72 -1.41 0.00 -1.12 -4.42 105.19 103.87 2kk0 n GLY 15 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2kk0 n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kk0 s ASP 16 N -4.00 5.59 0.00 1.61 1.01 -1.26 -4.99 116.67 114.62 2kk0 s ASP 16 Ca 0.00 0.21 0.19 0.00 0.71 0.00 0.00 52.55 53.66 2kk0 s ASP 16 Cb 0.00 -1.72 0.02 0.00 1.01 0.00 0.00 42.92 42.23 2kk0 s ASP 16 CO 0.00 0.34 0.99 0.79 0.21 0.00 0.00 175.17 177.51 2kk0 n TRP 17 N 2.39 0.00 -2.73 4.23 7.02 -1.26 -5.00 117.44 122.09 2kk0 n TRP 17 Ca -0.19 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.20 2kk0 n TRP 17 Cb 0.54 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.47 2kk0 n TRP 17 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2kk0 n THR 18 N 0.16 0.00 -1.77 -0.99 -2.24 -1.26 -5.05 114.28 103.12 2kk0 n THR 18 Ca 0.09 -0.81 -0.02 0.00 -2.27 0.00 0.00 64.05 61.03 2kk0 n THR 18 Cb 0.42 -0.96 0.15 0.00 -2.10 0.00 0.00 70.33 67.84 2kk0 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kk0 n TYR 19 N -1.81 0.71 -1.03 4.78 4.11 -1.26 -4.92 117.16 117.74 2kk0 n TYR 19 Ca 0.08 -1.64 -0.15 0.00 -0.00 0.00 0.00 57.90 56.19 2kk0 n TYR 19 Cb 0.28 -0.27 -0.16 0.00 -0.00 0.00 0.00 39.34 39.19 2kk0 n TYR 19 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 2kk0 n GLU 20 N -0.93 2.17 -1.21 -3.48 2.13 -1.26 -4.94 120.64 113.13 2kk0 n GLU 20 Ca 0.24 -1.12 0.16 0.00 0.66 0.00 0.00 57.16 57.11 2kk0 n GLU 20 Cb 0.79 -2.08 -0.04 0.00 0.27 0.00 0.00 31.44 30.37 2kk0 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kk0 n GLU 21 N 2.61 -2.44 -2.14 5.31 -0.58 -1.26 -4.67 120.64 117.47 2kk0 n GLU 21 Ca 0.47 1.61 -0.42 0.00 -0.42 0.00 0.00 57.16 58.39 2kk0 n GLU 21 Cb 0.85 -2.97 -0.03 0.00 -0.57 0.00 0.00 31.44 28.72 2kk0 n GLU 21 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2kk0 s GLN 22 N -1.87 4.29 0.41 3.49 -2.07 -1.26 -4.89 119.66 117.75 2kk0 s GLN 22 Ca 0.00 2.10 -0.02 0.00 -1.82 0.00 0.00 55.36 55.62 2kk0 s GLN 22 Cb 0.00 -3.33 -0.03 0.00 -1.09 0.00 0.00 33.01 28.55 2kk0 s GLN 22 CO 0.00 -0.50 0.65 -0.59 -1.32 0.00 0.00 175.29 173.53 2kk0 s PHE 23 N 1.49 3.52 0.31 9.60 -0.12 -1.26 -5.00 117.98 126.52 2kk0 s PHE 23 Ca 0.66 0.53 0.36 0.00 -0.05 0.00 0.00 56.93 58.43 2kk0 s PHE 23 Cb -0.37 -2.07 1.68 0.00 -0.63 0.00 0.00 43.02 41.63 2kk0 s PHE 23 CO 0.30 -0.06 2.11 -0.22 -0.05 0.00 0.00 175.22 177.30 2kk0 h LYS 24 N 0.52 0.00 -0.90 1.99 1.63 -1.99 -3.28 116.57 114.55 2kk0 h LYS 24 Ca -0.48 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.50 2kk0 h LYS 24 Cb 1.21 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.74 2kk0 h LYS 24 CO 0.61 0.02 0.46 0.37 -3.45 0.00 0.00 179.45 177.47 2kk0 h GLN 25 N 0.00 0.56 -0.49 1.90 5.75 -1.97 0.16 115.11 121.01 2kk0 h GLN 25 Ca -0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2kk0 h GLN 25 Cb 0.35 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 2kk0 h GLN 25 CO 0.00 0.37 0.28 -0.07 -2.65 0.00 0.00 178.83 176.76 2kk0 h LEU 26 N 0.57 0.59 -0.47 -2.39 3.38 -1.99 -2.41 115.31 112.59 2kk0 h LEU 26 Ca 0.52 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.32 2kk0 h LEU 26 Cb 0.85 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2kk0 h LEU 26 CO -0.42 0.47 -0.66 1.88 0.09 0.00 0.00 178.44 179.80 2kk0 h TYR 27 N 0.68 0.00 -0.41 1.13 -1.99 -0.94 -3.23 116.97 112.21 2kk0 h TYR 27 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 2kk0 h TYR 27 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2kk0 h TYR 27 CO 0.00 0.66 0.00 0.39 -0.00 0.00 0.00 178.16 179.21 2kk0 n GLU 28 N -3.53 2.35 -0.18 4.88 1.02 -0.88 -4.41 120.64 119.89 2kk0 n GLU 28 Ca -0.00 -2.05 -0.03 0.00 -0.02 0.00 0.00 57.16 55.06 2kk0 n GLU 28 Cb 0.70 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.67 2kk0 n GLU 28 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kk0 h LEU 29 N 3.82 -0.77 0.00 -4.62 3.38 -1.47 -3.31 115.31 112.34 2kk0 h LEU 29 Ca 0.00 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2kk0 h LEU 29 Cb 0.85 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2kk0 h LEU 29 CO 0.00 -0.25 -1.21 -0.90 0.09 0.00 0.00 178.44 176.17 2kk0 n ASP 30 N -5.42 4.04 0.00 -0.43 5.68 -1.26 -5.04 116.55 114.12 2kk0 n ASP 30 Ca 0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 2kk0 n ASP 30 Cb 0.33 0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kk0 n GLY 31 N 3.00 1.02 3.88 6.12 0.00 -1.25 -5.10 105.19 112.87 2kk0 n GLY 31 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2kk0 n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kk0 s ASP 32 N -2.00 6.57 0.13 1.61 1.01 -1.26 -5.03 116.67 117.70 2kk0 s ASP 32 Ca 0.00 0.76 -0.20 0.00 0.71 0.00 0.00 52.55 53.82 2kk0 s ASP 32 Cb 0.00 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 2kk0 s ASP 32 CO 0.00 0.02 1.72 1.55 0.21 0.00 0.00 175.17 178.67 2kk0 h PRO 33 N 2.87 0.05 0.00 8.23 0.13 -1.99 -2.45 132.00 138.85 2kk0 h PRO 33 Ca -0.47 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kk0 h PRO 33 Cb 1.17 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kk0 h PRO 33 CO 0.70 0.03 -0.00 0.87 -0.23 0.00 0.00 178.00 179.38 2kk0 h LYS 34 N 0.05 0.00 0.59 0.86 1.79 -1.98 -1.54 116.57 116.35 2kk0 h LYS 34 Ca 0.10 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2kk0 h LYS 34 Cb 0.13 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2kk0 h LYS 34 CO -0.18 0.00 -0.28 -0.09 -1.08 0.00 0.00 179.45 177.82 2kk0 h ARG 35 N 0.00 -0.76 -0.30 3.15 9.65 -1.83 -0.80 114.38 123.49 2kk0 h ARG 35 Ca -0.00 0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.82 2kk0 h ARG 35 Cb 0.23 0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 2kk0 h ARG 35 CO 0.00 -0.51 -0.27 1.57 2.80 0.00 0.00 179.97 183.56 2kk0 h LYS 36 N -0.84 0.59 -0.47 0.20 -0.00 -1.59 -2.13 116.57 112.33 2kk0 h LYS 36 Ca -0.08 -0.24 0.05 0.00 -0.00 0.00 0.00 60.65 60.38 2kk0 h LYS 36 Cb 0.61 -0.03 -0.05 0.00 -0.00 0.00 0.00 32.23 32.77 2kk0 h LYS 36 CO 0.13 0.80 0.21 0.93 -0.00 0.00 0.00 179.45 181.53 2kk0 h GLU 37 N 0.52 0.41 -0.47 0.07 5.08 -1.35 0.16 114.58 118.99 2kk0 h GLU 37 Ca 0.07 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2kk0 h GLU 37 Cb 0.73 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2kk0 h GLU 37 CO 0.06 0.27 0.22 0.35 -1.00 0.00 0.00 179.01 178.90 2kk0 h PHE 38 N 0.42 0.39 -0.09 4.33 3.04 -0.89 -1.93 116.94 122.21 2kk0 h PHE 38 Ca 0.22 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 2kk0 h PHE 38 Cb 0.17 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.56 2kk0 h PHE 38 CO -0.12 0.18 0.05 -0.07 -2.02 0.00 0.00 178.31 176.32 2kk0 h LEU 39 N 0.43 0.12 -0.47 0.59 3.38 -0.71 0.39 115.31 119.04 2kk0 h LEU 39 Ca 0.21 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2kk0 h LEU 39 Cb 0.15 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2kk0 h LEU 39 CO -0.17 0.21 0.25 0.44 0.09 0.00 0.00 178.44 179.25 2kk0 h ASP 40 N 0.03 0.36 -0.46 -0.43 3.32 -0.59 0.11 116.42 118.76 2kk0 h ASP 40 Ca 0.03 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2kk0 h ASP 40 Cb 0.12 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2kk0 h ASP 40 CO -0.00 0.25 0.04 -0.78 -1.72 0.00 0.00 179.24 177.03 2kk0 h ASP 41 N 0.49 0.76 0.48 6.45 3.58 -1.28 -1.47 116.42 125.42 2kk0 h ASP 41 Ca 0.20 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 2kk0 h ASP 41 Cb 0.10 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2kk0 h ASP 41 CO -0.14 0.85 -0.44 0.25 -2.88 0.00 0.00 179.24 176.88 2kk0 h LEU 42 N 0.64 -1.20 -0.12 2.28 5.85 -0.48 0.90 115.31 123.17 2kk0 h LEU 42 Ca 0.13 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2kk0 h LEU 42 Cb 0.44 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2kk0 h LEU 42 CO 0.02 -0.61 0.08 -0.26 -0.34 0.00 0.00 178.44 177.32 2kk0 h PHE 43 N -0.92 0.16 -0.26 1.25 0.04 -0.82 -2.23 116.94 114.16 2kk0 h PHE 43 Ca -0.05 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.74 2kk0 h PHE 43 Cb 0.80 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2kk0 h PHE 43 CO -0.22 0.13 0.13 1.03 -0.60 0.00 0.00 178.31 178.78 2kk0 h SER 44 N 0.14 0.19 0.22 2.17 0.87 -1.26 0.38 113.55 116.27 2kk0 h SER 44 Ca 0.05 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2kk0 h SER 44 Cb 0.01 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 2kk0 h SER 44 CO -0.01 0.14 -0.34 0.15 -0.53 0.00 0.00 176.83 176.24 2kk0 h PHE 45 N 0.27 -0.93 -0.39 2.24 3.57 -0.63 -1.60 116.94 119.47 2kk0 h PHE 45 Ca 0.11 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.47 2kk0 h PHE 45 Cb 0.04 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2kk0 h PHE 45 CO -0.10 -0.46 -0.37 0.00 -2.23 0.00 0.00 178.31 175.15 2kk0 h MET 46 N -0.63 0.94 -0.81 1.11 -0.00 -1.37 -3.14 114.93 111.03 2kk0 h MET 46 Ca 0.01 -0.48 0.03 0.00 -0.00 0.00 0.00 59.70 59.25 2kk0 h MET 46 Cb 0.62 0.01 -0.05 0.00 -0.00 0.00 0.00 31.60 32.18 2kk0 h MET 46 CO -0.14 1.14 0.52 0.37 -0.00 0.00 0.00 176.91 178.80 2kk0 h GLN 47 N 0.77 0.98 0.00 -0.10 4.15 -0.78 -1.56 115.11 118.56 2kk0 h GLN 47 Ca 0.07 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 2kk0 h GLN 47 Cb 0.96 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2kk0 h GLN 47 CO 0.09 0.65 -0.48 0.87 -1.93 0.00 0.00 178.83 178.03 2kk0 h LYS 48 N 1.01 0.00 -0.84 1.69 1.57 -1.30 -2.75 116.57 115.96 2kk0 h LYS 48 Ca 0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2kk0 h LYS 48 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2kk0 h LYS 48 CO -0.11 0.48 0.04 2.89 -0.57 0.00 0.00 179.45 182.18 2kk0 n ARG 49 N -3.73 2.57 -0.61 3.15 1.85 -0.99 -4.87 116.66 114.04 2kk0 n ARG 49 Ca -0.01 -1.39 0.00 0.00 -1.00 0.00 0.00 57.85 55.46 2kk0 n ARG 49 Cb 0.54 -1.80 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 2kk0 n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kk0 n GLY 50 N 0.21 0.69 2.48 2.89 0.00 -1.03 -5.02 105.19 105.40 2kk0 n GLY 50 Ca 0.14 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2kk0 n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kk0 s THR 51 N -2.00 0.38 0.65 2.61 -1.32 -0.62 -5.02 115.64 110.32 2kk0 s THR 51 Ca 0.00 -2.12 -0.02 0.00 -1.21 0.00 0.00 61.69 58.34 2kk0 s THR 51 Cb 0.00 -1.28 0.07 0.00 -1.51 0.00 0.00 72.50 69.78 2kk0 s THR 51 CO 0.00 -1.05 0.92 -2.16 -2.21 0.00 0.00 174.62 170.12 2kk0 s PRO 52 N 0.66 2.17 -0.53 7.08 0.04 -1.26 -3.11 135.00 140.05 2kk0 s PRO 52 Ca 0.22 -0.67 -0.23 0.00 0.04 0.00 0.00 61.00 60.36 2kk0 s PRO 52 Cb -0.15 -2.33 0.04 0.00 0.04 0.00 0.00 34.50 32.11 2kk0 s PRO 52 CO -0.05 -1.11 0.87 0.08 0.04 0.00 0.00 177.00 176.82 2kk0 s VAL 53 N -3.04 4.51 -0.05 -0.36 1.01 -1.26 -4.93 120.40 116.27 2kk0 s VAL 53 Ca 0.61 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.47 2kk0 s VAL 53 Cb -0.09 -4.47 -0.22 0.00 0.00 0.00 0.00 36.38 31.60 2kk0 s VAL 53 CO 0.42 -1.02 1.12 0.78 0.00 0.00 0.00 175.10 176.40 2kk0 h ASN 54 N 9.22 0.03 -4.53 3.32 4.21 -2.01 -3.46 115.58 122.36 2kk0 h ASN 54 Ca -0.26 -0.65 -0.27 0.00 1.21 0.00 0.00 56.30 56.33 2kk0 h ASN 54 Cb 1.08 -0.01 -0.23 0.00 -1.12 0.00 0.00 38.32 38.04 2kk0 h ASN 54 CO 1.05 0.67 -0.73 -0.13 -1.29 0.00 0.00 177.43 177.00 2kk0 s ARG 55 N -3.62 0.45 -0.31 0.81 0.52 -1.26 -4.78 118.95 110.76 2kk0 s ARG 55 Ca -0.17 -0.56 -0.23 0.00 -0.52 0.00 0.00 55.73 54.25 2kk0 s ARG 55 Cb 0.00 -0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.21 2kk0 s ARG 55 CO 0.69 0.05 0.78 0.42 0.02 0.00 0.00 175.30 177.26 2kk0 s ILE 56 N -1.01 4.80 0.23 1.52 1.01 -1.26 -5.03 121.20 121.45 2kk0 s ILE 56 Ca -0.07 1.16 -0.31 0.00 0.00 0.00 0.00 60.65 61.43 2kk0 s ILE 56 Cb -0.08 -4.14 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 2kk0 s ILE 56 CO 0.00 -0.25 1.54 -2.16 0.00 0.00 0.00 174.94 174.07 2kk0 s PRO 57 N 2.95 4.21 -0.09 2.79 0.04 -1.26 -4.90 135.00 138.74 2kk0 s PRO 57 Ca 0.32 2.40 0.03 0.00 0.04 0.00 0.00 61.00 63.79 2kk0 s PRO 57 Cb -0.14 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2kk0 s PRO 57 CO 0.13 -0.55 -0.18 0.42 0.04 0.00 0.00 177.00 176.85 2kk0 s ILE 58 N 0.48 2.65 -0.14 0.56 -1.09 -1.26 -1.56 121.20 120.84 2kk0 s ILE 58 Ca 0.65 -0.84 -0.00 0.00 -2.23 0.00 0.00 60.65 58.23 2kk0 s ILE 58 Cb -0.44 -2.05 0.03 0.00 -1.58 0.00 0.00 42.46 38.42 2kk0 s ILE 58 CO 0.39 0.56 -0.09 -0.32 -1.23 0.00 0.00 174.94 174.25 2kk0 s MET 59 N -0.06 1.75 -1.34 2.79 -2.45 0.44 -4.58 119.30 115.85 2kk0 s MET 59 Ca -0.04 -0.46 -0.05 0.00 -1.25 0.00 0.00 55.69 53.89 2kk0 s MET 59 Cb -0.14 -1.91 0.02 0.00 1.25 0.00 0.00 34.83 34.05 2kk0 s MET 59 CO 0.04 -0.32 0.92 0.00 1.05 0.00 0.00 175.02 176.71 2kk0 n ALA 60 N 4.86 -1.73 -0.57 4.11 0.00 -1.26 -1.25 120.51 124.67 2kk0 n ALA 60 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kk0 n ALA 60 Cb 0.49 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.70 2kk0 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kk0 n LYS 61 N -4.46 0.00 -4.16 0.00 4.76 -0.61 -4.99 118.16 108.70 2kk0 n LYS 61 Ca -0.17 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.92 2kk0 n LYS 61 Cb 0.62 -2.98 -0.09 0.00 -1.84 0.00 0.00 35.03 30.74 2kk0 n LYS 61 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2kk0 s GLN 62 N -0.25 3.45 0.14 1.97 2.00 -0.38 -4.99 119.66 121.61 2kk0 s GLN 62 Ca 0.00 -0.34 -0.31 0.00 -2.00 0.00 0.00 55.36 52.71 2kk0 s GLN 62 Cb 0.00 -3.02 -0.09 0.00 0.80 0.00 0.00 33.01 30.70 2kk0 s GLN 62 CO 0.00 0.54 1.49 0.54 -0.50 0.00 0.00 175.29 177.37 2kk0 s VAL 63 N -0.41 2.91 -0.56 1.34 0.11 -1.26 -0.42 120.40 122.12 2kk0 s VAL 63 Ca 0.09 0.65 -0.27 0.00 -2.93 0.00 0.00 61.98 59.52 2kk0 s VAL 63 Cb -0.12 -3.42 -0.02 0.00 -1.53 0.00 0.00 36.38 31.29 2kk0 s VAL 63 CO 0.02 0.05 1.86 -0.22 -3.33 0.00 0.00 175.10 173.48 2kk0 s LEU 64 N 1.16 3.33 -0.92 2.54 2.96 -0.60 -4.87 118.68 122.28 2kk0 s LEU 64 Ca 0.68 0.52 -0.24 0.00 -0.22 0.00 0.00 54.13 54.86 2kk0 s LEU 64 Cb -0.41 -2.70 -0.20 0.00 0.50 0.00 0.00 46.19 43.38 2kk0 s LEU 64 CO 0.31 -2.27 2.14 0.47 -1.32 0.00 0.00 176.35 175.67 2kk0 n ASP 65 N 12.40 1.16 -0.28 3.68 8.00 -1.26 -4.75 116.55 135.50 2kk0 n ASP 65 Ca 0.21 -2.04 0.15 0.00 0.71 0.00 0.00 54.79 53.82 2kk0 n ASP 65 Cb 0.51 -1.60 0.43 0.00 -0.02 0.00 0.00 41.12 40.44 2kk0 n ASP 65 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kk0 h LEU 66 N 21.38 0.57 -0.16 0.64 3.38 -1.96 0.23 115.31 139.39 2kk0 h LEU 66 Ca 0.00 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2kk0 h LEU 66 Cb 1.00 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 2kk0 h LEU 66 CO 1.02 0.25 -0.07 0.15 0.09 0.00 0.00 178.44 179.88 2kk0 h PHE 67 N 0.58 -0.15 -0.16 1.13 3.57 -1.97 -1.64 116.94 118.30 2kk0 h PHE 67 Ca 0.49 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.80 2kk0 h PHE 67 Cb 0.96 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2kk0 h PHE 67 CO -0.00 -0.11 -0.70 0.52 -2.23 0.00 0.00 178.31 175.79 2kk0 h MET 68 N -0.04 0.66 -0.61 1.11 2.86 -1.51 -2.87 114.93 114.53 2kk0 h MET 68 Ca 0.09 -0.50 0.10 0.00 -2.06 0.00 0.00 59.70 57.32 2kk0 h MET 68 Cb 0.17 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 2kk0 h MET 68 CO -0.19 1.12 0.22 1.25 1.06 0.00 0.00 176.91 180.37 2kk0 h LEU 69 N 0.47 0.21 -0.20 1.22 5.85 -0.45 0.12 115.31 122.53 2kk0 h LEU 69 Ca -0.03 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2kk0 h LEU 69 Cb 1.29 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 2kk0 h LEU 69 CO 0.14 0.12 0.12 0.22 -0.34 0.00 0.00 178.44 178.71 2kk0 h TYR 70 N 0.40 0.26 0.47 1.25 3.20 -1.26 -2.04 116.97 119.25 2kk0 h TYR 70 Ca 0.31 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2kk0 h TYR 70 Cb 0.39 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2kk0 h TYR 70 CO -0.17 0.19 -0.35 0.28 -1.64 0.00 0.00 178.16 176.47 2kk0 h VAL 71 N 0.25 0.29 -0.95 1.81 2.07 -1.11 -1.50 116.25 117.11 2kk0 h VAL 71 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2kk0 h VAL 71 Cb 0.01 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 2kk0 h VAL 71 CO -0.01 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.12 2kk0 h LEU 72 N -0.81 1.00 -0.03 2.57 -0.00 -0.77 -0.40 115.31 116.88 2kk0 h LEU 72 Ca -0.05 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.75 2kk0 h LEU 72 Cb 0.68 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2kk0 h LEU 72 CO 0.01 0.66 -0.28 0.58 -0.00 0.00 0.00 178.44 179.42 2kk0 h VAL 73 N 1.14 1.49 -0.24 1.22 2.07 -1.33 -3.26 116.25 117.34 2kk0 h VAL 73 Ca 0.39 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 65.98 2kk0 h VAL 73 Cb 0.09 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2kk0 h VAL 73 CO -0.13 0.51 -0.31 0.71 0.02 0.00 0.00 177.57 178.37 2kk0 h THR 74 N -0.36 1.28 0.00 2.57 1.35 -1.05 -2.24 112.91 114.46 2kk0 h THR 74 Ca -0.03 -1.38 -0.03 0.00 -0.55 0.00 0.00 66.41 64.43 2kk0 h THR 74 Cb 0.98 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2kk0 h THR 74 CO 0.06 0.43 -0.12 1.05 -0.25 0.00 0.00 175.52 176.69 2kk0 h GLU 75 N 0.42 0.00 -0.00 4.72 4.11 -1.19 -1.54 114.58 121.10 2kk0 h GLU 75 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2kk0 h GLU 75 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2kk0 h GLU 75 CO 0.06 0.12 -0.07 1.63 0.07 0.00 0.00 179.01 180.82 2kk0 n LYS 76 N -4.24 0.39 0.00 1.06 4.76 -1.02 -4.88 118.16 114.23 2kk0 n LYS 76 Ca -0.03 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2kk0 n LYS 76 Cb 0.20 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2kk0 n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kk0 n GLY 77 N 1.34 1.31 0.00 0.72 0.00 -0.58 -4.68 105.19 103.30 2kk0 n GLY 77 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2kk0 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kk0 n GLY 78 N -0.16 1.88 0.40 -0.02 0.00 -0.87 -4.38 105.19 102.04 2kk0 n GLY 78 Ca 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 2kk0 n GLY 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kk0 h LEU 79 N 0.00 -1.51 -0.32 0.99 5.85 -1.95 -1.26 115.31 117.12 2kk0 h LEU 79 Ca 0.00 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2kk0 h LEU 79 Cb 0.00 0.67 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2kk0 h LEU 79 CO 0.00 -0.36 0.20 0.58 -0.34 0.00 0.00 178.44 178.52 2kk0 h VAL 80 N -0.29 1.11 -0.71 1.05 2.07 -1.96 -0.74 116.25 116.77 2kk0 h VAL 80 Ca 0.15 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2kk0 h VAL 80 Cb 0.57 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2kk0 h VAL 80 CO -0.63 0.10 0.39 -0.08 0.02 0.00 0.00 177.57 177.37 2kk0 h GLU 81 N 0.42 0.68 -0.66 1.57 4.57 -1.65 0.29 114.58 119.79 2kk0 h GLU 81 Ca 0.12 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2kk0 h GLU 81 Cb -0.00 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 2kk0 h GLU 81 CO -0.02 0.45 0.31 0.28 -1.18 0.00 0.00 179.01 178.85 2kk0 h VAL 82 N 0.70 1.23 -0.42 0.32 2.07 -0.81 0.23 116.25 119.57 2kk0 h VAL 82 Ca 0.33 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2kk0 h VAL 82 Cb 0.25 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2kk0 h VAL 82 CO -0.21 0.27 -0.01 0.40 0.02 0.00 0.00 177.57 178.04 2kk0 h ILE 83 N 0.92 1.23 0.00 4.57 2.04 -0.23 0.12 117.51 126.16 2kk0 h ILE 83 Ca 0.23 -0.94 -0.22 0.00 1.00 0.00 0.00 64.86 64.93 2kk0 h ILE 83 Cb 0.13 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2kk0 h ILE 83 CO -0.03 0.33 -1.18 0.78 0.00 0.00 0.00 178.15 178.05 2kk0 h ASN 84 N 0.64 0.00 1.37 1.72 2.35 -0.74 -3.22 115.58 117.69 2kk0 h ASN 84 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2kk0 h ASN 84 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2kk0 h ASN 84 CO 0.02 0.95 0.00 0.29 -1.65 0.00 0.00 177.43 177.04 2kk0 n LYS 85 N -3.24 0.20 -1.58 0.81 4.76 0.77 -4.92 118.16 114.96 2kk0 n LYS 85 Ca -0.05 0.17 -0.19 0.00 -2.87 0.00 0.00 58.31 55.37 2kk0 n LYS 85 Cb 0.95 -1.74 -0.08 0.00 -1.84 0.00 0.00 35.03 32.33 2kk0 n LYS 85 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kk0 n LYS 86 N -2.09 -1.43 -1.06 1.97 4.76 0.02 -4.85 118.16 115.48 2kk0 n LYS 86 Ca 0.06 1.09 -0.22 0.00 -2.87 0.00 0.00 58.31 56.37 2kk0 n LYS 86 Cb 0.41 -5.46 0.13 0.00 -1.84 0.00 0.00 35.03 28.27 2kk0 n LYS 86 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2kk0 n LEU 87 N -2.27 6.41 0.24 -0.35 -0.00 -1.21 -4.59 117.00 115.24 2kk0 n LEU 87 Ca -0.19 -3.43 0.12 0.00 -0.00 0.00 0.00 56.01 52.51 2kk0 n LEU 87 Cb 0.62 -0.84 0.67 0.00 -0.00 0.00 0.00 43.42 43.86 2kk0 n LEU 87 CO 0.28 1.07 0.96 -0.50 -0.00 0.00 0.00 177.39 179.20 2kk0 h TRP 88 N 1.09 0.00 -0.85 1.47 4.06 -1.89 0.29 115.95 120.12 2kk0 h TRP 88 Ca 0.52 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.58 2kk0 h TRP 88 Cb 2.09 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 30.19 2kk0 h TRP 88 CO 1.29 0.00 0.55 0.07 -3.56 0.00 0.00 178.44 176.79 2kk0 h ARG 89 N 0.00 0.76 -0.84 0.49 0.11 -1.91 -1.37 114.38 111.61 2kk0 h ARG 89 Ca 0.00 -0.05 0.01 0.00 0.10 0.00 0.00 59.98 60.05 2kk0 h ARG 89 Cb 0.40 -0.17 -0.04 0.00 1.11 0.00 0.00 29.97 31.26 2kk0 h ARG 89 CO 0.00 0.50 0.56 0.93 0.10 0.00 0.00 179.97 182.06 2kk0 h GLU 90 N 0.78 1.10 0.23 0.08 4.39 -1.33 -1.59 114.58 118.24 2kk0 h GLU 90 Ca 0.40 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 2kk0 h GLU 90 Cb 0.49 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2kk0 h GLU 90 CO -0.17 0.73 -0.11 0.82 -1.16 0.00 0.00 179.01 179.12 2kk0 h ILE 91 N 1.13 0.84 -0.25 3.13 1.08 -1.40 0.20 117.51 122.23 2kk0 h ILE 91 Ca 0.31 -0.69 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 2kk0 h ILE 91 Cb -0.11 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 2kk0 h ILE 91 CO -0.07 0.15 0.14 0.71 -0.69 0.00 0.00 178.15 178.38 2kk0 h THR 92 N -0.67 1.02 -0.37 -0.27 1.35 -1.43 -2.17 112.91 110.36 2kk0 h THR 92 Ca -0.03 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 2kk0 h THR 92 Cb 0.47 0.70 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 2kk0 h THR 92 CO 0.05 0.05 0.15 0.50 -0.25 0.00 0.00 175.52 176.02 2kk0 h LYS 93 N 0.29 0.52 0.00 4.72 1.63 -1.31 -0.22 116.57 122.20 2kk0 h LYS 93 Ca 0.10 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2kk0 h LYS 93 Cb 0.01 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 2kk0 h LYS 93 CO -0.05 0.43 0.00 0.78 -3.45 0.00 0.00 179.45 177.16 2kk0 h GLY 94 N 0.67 0.00 -2.41 5.01 0.00 -0.39 -2.25 103.07 103.70 2kk0 h GLY 94 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2kk0 h GLY 94 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 2kk0 n LEU 95 N -2.82 3.53 -0.46 3.11 4.77 -0.46 -4.92 117.00 119.73 2kk0 n LEU 95 Ca 0.01 -1.73 -0.06 0.00 -0.03 0.00 0.00 56.01 54.20 2kk0 n LEU 95 Cb 0.28 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2kk0 n LEU 95 CO 0.25 0.86 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.91 2kk0 n ASN 96 N 1.44 -4.55 -4.87 -1.43 4.05 -0.85 -5.01 115.26 104.04 2kk0 n ASN 96 Ca 0.22 0.15 -0.31 0.00 0.45 0.00 0.00 54.58 55.09 2kk0 n ASN 96 Cb 0.57 -2.58 -0.05 0.00 1.23 0.00 0.00 39.78 38.95 2kk0 n ASN 96 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kk0 s LEU 97 N -1.37 4.02 -0.40 1.20 1.43 -0.22 -4.99 118.68 118.35 2kk0 s LEU 97 Ca 0.00 1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 53.86 2kk0 s LEU 97 Cb 0.00 -3.86 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 2kk0 s LEU 97 CO 0.00 -0.23 1.84 -2.16 0.23 0.00 0.00 176.35 176.04 2kk0 s PRO 98 N -3.30 3.12 0.00 1.29 0.04 -1.26 -3.93 135.00 130.97 2kk0 s PRO 98 Ca 0.50 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.83 2kk0 s PRO 98 Cb -0.11 -4.26 0.24 0.00 0.04 0.00 0.00 34.50 30.42 2kk0 s PRO 98 CO 0.25 -2.11 0.60 -2.37 0.04 0.00 0.00 177.00 173.40 2kk0 n THR 99 N 7.40 0.00 -0.49 1.26 5.66 -1.26 -1.92 114.28 124.93 2kk0 n THR 99 Ca 0.23 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.32 2kk0 n THR 99 Cb 0.48 -0.56 0.34 0.00 -1.55 0.00 0.00 70.33 69.05 2kk0 n THR 99 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2kk0 n SER 100 N -0.71 4.55 -4.69 1.09 2.88 -1.26 -4.92 113.62 110.56 2kk0 n SER 100 Ca 0.03 -2.40 -0.44 0.00 -1.33 0.00 0.00 58.87 54.73 2kk0 n SER 100 Cb 0.01 -0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 62.87 2kk0 n SER 100 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2kk0 n ILE 101 N 1.12 0.11 -0.31 2.46 5.41 -0.81 -4.88 119.36 122.46 2kk0 n ILE 101 Ca 0.25 -0.02 -0.01 0.00 1.00 0.00 0.00 62.75 63.97 2kk0 n ILE 101 Cb 0.85 -1.85 0.03 0.00 -0.71 0.00 0.00 39.64 37.96 2kk0 n ILE 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2kk0 n THR 102 N 3.99 -0.42 -1.97 1.39 -1.04 -1.26 -1.97 114.28 112.99 2kk0 n THR 102 Ca 0.17 1.86 -0.00 0.00 -2.04 0.00 0.00 64.05 64.04 2kk0 n THR 102 Cb 0.33 -2.45 0.12 0.00 -1.82 0.00 0.00 70.33 66.51 2kk0 n THR 102 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kk0 n SER 103 N -5.16 2.09 0.00 8.00 3.41 -1.26 -4.91 113.62 115.78 2kk0 n SER 103 Ca 0.08 -3.31 -0.09 0.00 -0.26 0.00 0.00 58.87 55.29 2kk0 n SER 103 Cb 0.32 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.77 2kk0 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kk0 h ALA 104 N 1.32 -0.71 -0.67 7.33 0.00 -1.78 0.64 119.26 125.39 2kk0 h ALA 104 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2kk0 h ALA 104 Cb 1.32 0.82 -0.08 0.00 0.00 0.00 0.00 17.79 19.85 2kk0 h ALA 104 CO 0.17 -0.82 0.27 0.00 0.00 0.00 0.00 179.25 178.86 2kk0 h ALA 105 N -0.79 0.89 -0.35 0.00 0.00 -1.90 0.54 119.26 117.66 2kk0 h ALA 105 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kk0 h ALA 105 Cb 0.40 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kk0 h ALA 105 CO -0.25 -0.17 -0.06 0.35 0.00 0.00 0.00 179.25 179.12 2kk0 h PHE 106 N 0.45 0.73 -0.03 0.00 3.57 -1.86 -2.66 116.94 117.14 2kk0 h PHE 106 Ca 0.34 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 2kk0 h PHE 106 Cb 0.44 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2kk0 h PHE 106 CO -0.16 0.80 -0.28 1.15 -2.23 0.00 0.00 178.31 177.59 2kk0 h THR 107 N 0.44 1.48 -0.75 4.41 2.02 -0.52 -3.13 112.91 116.86 2kk0 h THR 107 Ca 0.09 -1.81 0.04 0.00 0.77 0.00 0.00 66.41 65.51 2kk0 h THR 107 Cb 0.55 2.53 -0.05 0.00 -1.74 0.00 0.00 68.15 69.44 2kk0 h THR 107 CO 0.03 0.51 0.46 -0.07 0.37 0.00 0.00 175.52 176.82 2kk0 h LEU 108 N -0.33 0.75 -0.59 2.58 3.38 -0.98 -0.96 115.31 119.15 2kk0 h LEU 108 Ca -0.03 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2kk0 h LEU 108 Cb 0.97 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2kk0 h LEU 108 CO 0.06 0.50 0.28 -0.09 0.09 0.00 0.00 178.44 179.29 2kk0 h ARG 109 N 0.89 0.51 0.25 1.13 2.43 -1.55 -0.29 114.38 117.75 2kk0 h ARG 109 Ca 0.31 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2kk0 h ARG 109 Cb 0.07 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2kk0 h ARG 109 CO -0.13 0.34 -0.12 1.15 -1.51 0.00 0.00 179.97 179.69 2kk0 h THR 110 N 0.53 0.80 -0.59 0.20 2.02 -1.33 -1.30 112.91 113.25 2kk0 h THR 110 Ca 0.28 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2kk0 h THR 110 Cb 0.24 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2kk0 h THR 110 CO -0.22 0.09 0.37 1.56 0.37 0.00 0.00 175.52 177.69 2kk0 h GLN 111 N -0.55 0.71 -0.51 6.66 1.08 -1.01 0.14 115.11 121.63 2kk0 h GLN 111 Ca -0.03 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2kk0 h GLN 111 Cb 0.40 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 2kk0 h GLN 111 CO 0.06 0.47 0.33 -0.92 -0.95 0.00 0.00 178.83 177.82 2kk0 h TYR 112 N 0.73 0.63 -0.04 2.96 5.03 -1.09 -1.93 116.97 123.26 2kk0 h TYR 112 Ca 0.23 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.52 2kk0 h TYR 112 Cb -0.01 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 2kk0 h TYR 112 CO -0.05 0.39 -0.13 1.98 -1.32 0.00 0.00 178.16 179.03 2kk0 h MET 113 N 0.67 0.06 0.08 1.82 4.05 -0.23 0.25 114.93 121.63 2kk0 h MET 113 Ca 0.19 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 2kk0 h MET 113 Cb -0.06 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 2kk0 h MET 113 CO -0.05 0.19 -0.04 0.87 0.23 0.00 0.00 176.91 178.11 2kk0 h LYS 114 N 0.06 -0.10 0.00 0.39 1.57 -0.25 -3.38 116.57 114.86 2kk0 h LYS 114 Ca 0.01 0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.46 2kk0 h LYS 114 Cb 0.27 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2kk0 h LYS 114 CO 0.02 0.41 -2.11 0.66 -0.57 0.00 0.00 179.45 177.86 2kk0 n TYR 115 N -4.87 0.00 0.78 -1.35 4.01 -0.77 -4.72 117.16 110.23 2kk0 n TYR 115 Ca -0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.77 2kk0 n TYR 115 Cb 0.28 -0.72 0.18 0.00 -0.31 0.00 0.00 39.34 38.77 2kk0 n TYR 115 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2kk0 n LEU 116 N -3.90 0.59 0.23 7.72 4.77 0.16 -4.26 117.00 122.31 2kk0 n LEU 116 Ca -0.39 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.51 2kk0 n LEU 116 Cb 0.78 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 2kk0 n LEU 116 CO 0.02 0.05 0.72 0.22 -1.33 0.00 0.00 177.39 177.08 2kk0 h TYR 117 N 0.00 -0.49 -0.36 -1.77 3.20 -0.81 0.78 116.97 117.52 2kk0 h TYR 117 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2kk0 h TYR 117 Cb 0.63 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2kk0 h TYR 117 CO 0.00 -0.28 0.20 -1.35 -1.64 0.00 0.00 178.16 175.08 2kk0 h PRO 118 N -0.56 0.48 -0.19 1.82 0.11 -1.84 -1.84 132.00 129.99 2kk0 h PRO 118 Ca -0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2kk0 h PRO 118 Cb 0.42 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2kk0 h PRO 118 CO 0.09 0.35 0.01 -0.92 -0.21 0.00 0.00 178.00 177.32 2kk0 h TYR 119 N 0.49 0.37 0.13 0.65 3.20 -1.67 -2.45 116.97 117.69 2kk0 h TYR 119 Ca 0.13 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 2kk0 h TYR 119 Cb 0.01 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2kk0 h TYR 119 CO 0.00 0.53 -0.09 1.49 -1.64 0.00 0.00 178.16 178.44 2kk0 h GLU 120 N 0.10 -0.22 -0.99 1.82 4.81 -0.59 0.69 114.58 120.20 2kk0 h GLU 120 Ca 0.06 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.53 2kk0 h GLU 120 Cb 0.38 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 2kk0 h GLU 120 CO 0.01 -0.15 0.63 0.00 -0.73 0.00 0.00 179.01 178.78 2kk0 h GLU 122 N 0.48 0.00 -0.32 0.00 4.57 -1.23 -3.32 114.58 114.77 2kk0 h GLU 122 Ca 0.55 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.61 2kk0 h GLU 122 Cb 1.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2kk0 h GLU 122 CO -0.28 0.00 -0.30 0.87 -1.18 0.00 0.00 179.01 178.12 2kk0 h LYS 123 N -0.74 0.66 0.00 1.92 1.79 -0.80 -3.38 116.57 116.03 2kk0 h LYS 123 Ca 0.00 -0.29 -0.21 0.00 -2.18 0.00 0.00 60.65 57.97 2kk0 h LYS 123 Cb 0.26 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 2kk0 h LYS 123 CO 0.00 0.88 -1.59 -2.13 -1.08 0.00 0.00 179.45 175.53 2kk0 n ARG 124 N -4.08 0.39 -2.38 3.15 3.00 0.30 -5.06 116.66 111.98 2kk0 n ARG 124 Ca -0.01 0.16 -0.06 0.00 -0.00 0.00 0.00 57.85 57.94 2kk0 n ARG 124 Cb 0.46 -1.16 0.03 0.00 0.00 0.00 0.00 32.46 31.80 2kk0 n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kk0 n GLY 125 N 1.92 0.10 0.07 5.14 0.00 0.88 -5.01 105.19 108.28 2kk0 n GLY 125 Ca -0.28 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 2kk0 n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kk0 n LEU 126 N -2.22 1.46 -4.98 0.99 4.77 -1.26 -5.05 117.00 110.70 2kk0 n LEU 126 Ca -0.07 0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 2kk0 n LEU 126 Cb 0.56 -0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2kk0 n LEU 126 CO 0.24 -0.33 0.10 -0.94 -1.33 0.00 0.00 177.39 175.12 2kk0 s SER 127 N -5.43 6.02 0.13 -1.43 1.04 -1.26 -5.05 113.70 107.71 2kk0 s SER 127 Ca -0.21 -0.00 0.10 0.00 0.48 0.00 0.00 55.95 56.32 2kk0 s SER 127 Cb 0.03 -1.45 -0.04 0.00 0.10 0.00 0.00 66.02 64.66 2kk0 s SER 127 CO 0.32 -0.42 -0.26 0.20 0.98 0.00 0.00 173.24 174.07 2kk0 s ASN 128 N -4.14 3.16 0.31 7.02 0.01 -1.26 -4.87 114.94 115.17 2kk0 s ASN 128 Ca 0.43 -0.74 0.07 0.00 -0.71 0.00 0.00 52.86 51.91 2kk0 s ASN 128 Cb -0.10 -0.20 0.87 0.00 0.41 0.00 0.00 41.25 42.23 2kk0 s ASN 128 CO 0.32 0.15 1.66 -0.65 -1.51 0.00 0.00 177.10 177.07 2kk0 h PRO 129 N 3.88 0.27 0.74 -0.60 0.11 -2.00 -2.09 132.00 132.31 2kk0 h PRO 129 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2kk0 h PRO 129 Cb 1.17 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.23 2kk0 h PRO 129 CO 0.40 0.18 -0.36 -0.91 -0.21 0.00 0.00 178.00 177.10 2kk0 h ASN 130 N 0.28 -0.84 -0.60 -2.05 -0.26 -2.01 -2.76 115.58 107.33 2kk0 h ASN 130 Ca 0.63 0.03 0.09 0.00 -0.56 0.00 0.00 56.30 56.49 2kk0 h ASN 130 Cb 1.33 0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 38.78 2kk0 h ASN 130 CO -0.62 -0.51 0.40 1.05 -1.06 0.00 0.00 177.43 176.69 2kk0 h GLU 131 N -1.19 0.42 -0.41 0.81 4.11 -1.97 -2.11 114.58 114.24 2kk0 h GLU 131 Ca -0.10 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.36 2kk0 h GLU 131 Cb 0.76 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2kk0 h GLU 131 CO 0.17 0.28 0.11 1.25 0.07 0.00 0.00 179.01 180.89 2kk0 h LEU 132 N 0.44 0.07 -0.96 3.06 5.85 -1.28 -1.33 115.31 121.16 2kk0 h LEU 132 Ca 0.27 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.08 2kk0 h LEU 132 Cb 0.50 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2kk0 h LEU 132 CO -0.08 0.08 0.63 -0.61 -0.34 0.00 0.00 178.44 178.11 2kk0 h GLN 133 N 0.25 1.19 -0.42 1.25 5.75 -1.09 -1.35 115.11 120.71 2kk0 h GLN 133 Ca 0.20 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 2kk0 h GLN 133 Cb 0.21 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2kk0 h GLN 133 CO -0.23 0.79 0.09 0.00 -2.65 0.00 0.00 178.83 176.83 2kk0 h ALA 134 N 1.38 0.55 0.05 3.38 0.00 -1.42 -0.51 119.26 122.70 2kk0 h ALA 134 Ca 0.37 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2kk0 h ALA 134 Cb -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2kk0 h ALA 134 CO -0.11 0.24 -0.24 0.00 0.00 0.00 0.00 179.25 179.15 2kk0 h ALA 135 N 0.95 -0.35 -0.41 0.00 0.00 -0.66 -0.70 119.26 118.09 2kk0 h ALA 135 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kk0 h ALA 135 Cb 0.34 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2kk0 h ALA 135 CO 0.00 -0.75 0.25 0.82 0.00 0.00 0.00 179.25 179.57 2kk0 h ILE 136 N -0.40 1.13 -0.41 0.00 2.04 -1.24 -2.11 117.51 116.53 2kk0 h ILE 136 Ca 0.05 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.65 2kk0 h ILE 136 Cb 0.45 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 2kk0 h ILE 136 CO -0.18 0.14 0.13 -0.78 0.00 0.00 0.00 178.15 177.45 2kk0 h ASP 137 N 0.54 0.11 -0.72 1.72 3.58 -0.85 0.25 116.42 121.06 2kk0 h ASP 137 Ca 0.15 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2kk0 h ASP 137 Cb 0.00 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 2kk0 h ASP 137 CO -0.03 0.10 0.46 -1.28 -2.88 0.00 0.00 179.24 175.61 2kk0 h SER 138 N 0.28 0.84 -0.40 2.28 0.87 -0.96 -1.24 113.55 115.23 2kk0 h SER 138 Ca 0.19 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2kk0 h SER 138 Cb 0.19 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 2kk0 h SER 138 CO -0.21 0.63 0.13 0.78 -0.53 0.00 0.00 176.83 177.62 2kk0 h ASN 139 N 0.98 0.63 -0.45 6.23 -0.26 -0.68 -2.26 115.58 119.77 2kk0 h ASN 139 Ca 0.26 -0.09 -0.10 0.00 -0.56 0.00 0.00 56.30 55.81 2kk0 h ASN 139 Cb -0.08 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 2kk0 h ASN 139 CO -0.05 0.61 -0.07 0.03 -1.06 0.00 0.00 177.43 176.89 2kk0 h ARG 140 N 0.67 0.90 0.00 0.81 3.08 -0.32 -2.82 114.38 116.70 2kk0 h ARG 140 Ca 0.15 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 2kk0 h ARG 140 Cb 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2kk0 h ARG 140 CO -0.01 0.94 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.57 2kk0 h ARG 141 N 0.81 0.00 0.11 0.04 2.43 -0.69 -3.00 114.38 114.08 2kk0 h ARG 141 Ca 0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2kk0 h ARG 141 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2kk0 h ARG 141 CO 0.04 0.17 -0.05 0.93 -1.51 0.00 0.00 179.97 179.54 2kk0 h GLU 142 N 0.00 -0.14 -1.53 0.20 5.08 -1.18 -3.38 114.58 113.62 2kk0 h GLU 142 Ca -0.00 0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.71 2kk0 h GLU 142 Cb 0.36 0.03 -0.35 0.00 0.50 0.00 0.00 28.75 29.29 2kk0 h GLU 142 CO 0.02 -0.09 0.12 0.41 -1.00 0.00 0.00 179.01 178.47 2kk0 n GLY 143 N -0.49 5.87 0.00 -3.84 0.00 -1.23 -4.97 105.19 100.52 2kk0 n GLY 143 Ca -0.02 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.41 2kk0 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kk0 n ARG 144 N -0.59 0.00 0.00 1.61 1.74 -1.13 -5.05 116.66 113.24 2kk0 n ARG 144 Ca 0.48 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2kk0 n ARG 144 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 2kk0 n ARG 144 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00