#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk0 s GLY 2 N 0.00 1.61 0.00 3.17 0.00 -1.26 -4.90 107.32 105.94 2kk0 s GLY 2 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 2kk0 s GLY 2 CO 0.00 0.22 1.98 1.42 0.00 0.00 0.00 173.10 176.72 2kk0 n HIS 3 N -3.62 0.00 -2.40 1.90 8.25 -1.26 -4.87 115.22 113.22 2kk0 n HIS 3 Ca 0.07 -0.98 -0.42 0.00 -0.26 0.00 0.00 57.72 56.13 2kk0 n HIS 3 Cb 0.57 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 2kk0 n HIS 3 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kk0 s HIS 4 N 0.11 2.39 -0.09 4.41 4.02 -1.26 -4.97 115.29 119.89 2kk0 s HIS 4 Ca 0.02 0.58 -0.29 0.00 1.02 0.00 0.00 55.06 56.39 2kk0 s HIS 4 Cb 0.01 -4.37 -0.05 0.00 -1.02 0.00 0.00 32.58 27.15 2kk0 s HIS 4 CO 0.00 -1.89 1.73 -3.38 1.02 0.00 0.00 174.74 172.22 2kk0 s HIS 5 N 5.62 1.85 0.33 1.40 0.00 -1.26 -4.95 115.29 118.29 2kk0 s HIS 5 Ca 0.55 0.21 -0.04 0.00 -3.00 0.00 0.00 55.06 52.79 2kk0 s HIS 5 Cb -0.11 -3.98 0.00 0.00 -4.00 0.00 0.00 32.58 24.49 2kk0 s HIS 5 CO 0.29 -3.88 0.48 -3.38 -1.00 0.00 0.00 174.74 167.24 2kk0 s HIS 6 N 4.70 0.98 -0.14 0.38 -0.00 -1.26 -4.62 115.29 115.33 2kk0 s HIS 6 Ca 0.77 -1.24 -0.30 0.00 -0.00 0.00 0.00 55.06 54.29 2kk0 s HIS 6 Cb -0.32 -0.04 -0.08 0.00 -0.00 0.00 0.00 32.58 32.14 2kk0 s HIS 6 CO 0.31 -1.13 2.10 1.58 -0.00 0.00 0.00 174.74 177.61 2kk0 n HIS 7 N -0.54 2.13 -0.13 0.38 -0.00 -1.26 -4.89 115.22 110.90 2kk0 n HIS 7 Ca 0.00 -0.14 -0.08 0.00 -0.00 0.00 0.00 57.72 57.50 2kk0 n HIS 7 Cb 0.62 -2.72 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 2kk0 n HIS 7 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2kk0 h HIS 8 N 12.71 0.52 -3.34 1.57 2.07 -2.00 -3.42 115.15 123.27 2kk0 h HIS 8 Ca -0.43 0.01 -0.49 0.00 -2.85 0.00 0.00 60.37 56.61 2kk0 h HIS 8 Cb 1.25 -0.17 -0.35 0.00 2.57 0.00 0.00 27.41 30.71 2kk0 h HIS 8 CO 0.94 0.33 -0.80 0.45 -3.07 0.00 0.00 177.93 175.78 2kk0 s SER 9 N -5.58 1.72 0.00 3.10 0.15 -1.26 -4.92 113.70 106.91 2kk0 s SER 9 Ca -0.13 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2kk0 s SER 9 Cb 0.11 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 2kk0 s SER 9 CO 0.73 -0.05 0.50 1.57 1.20 0.00 0.00 173.24 177.19 2kk0 n HIS 10 N 4.33 0.00 -0.85 3.44 -0.00 -1.26 -5.14 115.22 115.74 2kk0 n HIS 10 Ca -0.19 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.62 2kk0 n HIS 10 Cb 0.51 0.24 -0.05 0.00 -0.00 0.00 0.00 29.99 30.69 2kk0 n HIS 10 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2kk0 n MET 11 N 0.00 -2.01 -2.53 1.57 2.81 -1.26 -4.67 117.12 111.03 2kk0 n MET 11 Ca 0.00 1.64 -0.41 0.00 -1.81 0.00 0.00 57.70 57.12 2kk0 n MET 11 Cb 0.50 -2.28 -0.02 0.00 -0.71 0.00 0.00 33.22 30.72 2kk0 n MET 11 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2kk0 s PRO 12 N -3.93 3.69 0.00 0.03 0.04 -1.26 -4.83 135.00 128.74 2kk0 s PRO 12 Ca 0.00 -1.51 0.00 0.00 0.04 0.00 0.00 61.00 59.53 2kk0 s PRO 12 Cb 0.00 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 29.11 2kk0 s PRO 12 CO 0.00 -2.36 0.87 -0.25 0.04 0.00 0.00 177.00 175.30 2kk0 n ASP 13 N 9.09 0.00 0.00 6.66 9.92 -1.26 -4.99 116.55 135.97 2kk0 n ASP 13 Ca 0.41 0.92 0.00 0.00 -0.53 0.00 0.00 54.79 55.59 2kk0 n ASP 13 Cb 0.48 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 2kk0 n ASP 13 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2kk0 n HIS 14 N -1.90 -1.31 -4.18 1.24 -0.00 -1.26 -4.78 115.22 103.04 2kk0 n HIS 14 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kk0 n HIS 14 Cb 0.00 0.49 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2kk0 n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kk0 n GLY 15 N -0.09 2.74 3.02 1.57 0.00 -1.26 -4.40 105.19 106.77 2kk0 n GLY 15 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2kk0 n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kk0 s ASP 16 N -4.00 3.81 0.03 1.61 -4.77 -1.26 -4.99 116.67 107.10 2kk0 s ASP 16 Ca 0.00 -1.09 0.09 0.00 -3.30 0.00 0.00 52.55 48.24 2kk0 s ASP 16 Cb 0.00 -1.35 -0.23 0.00 -1.09 0.00 0.00 42.92 40.25 2kk0 s ASP 16 CO 0.00 -0.16 0.93 -0.50 0.70 0.00 0.00 175.17 176.14 2kk0 h TRP 17 N 7.90 0.05 -2.59 2.11 4.06 -2.01 1.02 115.95 126.49 2kk0 h TRP 17 Ca -0.25 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.67 2kk0 h TRP 17 Cb 1.08 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 2kk0 h TRP 17 CO 0.55 1.05 0.00 -2.37 -3.56 0.00 0.00 178.44 174.10 2kk0 n THR 18 N -3.21 0.00 -1.17 1.49 5.66 -1.26 -3.50 114.28 112.28 2kk0 n THR 18 Ca -0.10 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.58 2kk0 n THR 18 Cb 1.00 -1.48 0.11 0.00 -1.55 0.00 0.00 70.33 68.41 2kk0 n THR 18 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2kk0 s TYR 19 N 0.49 2.20 0.12 1.09 -0.85 -1.26 -1.23 117.35 117.90 2kk0 s TYR 19 Ca 0.00 1.64 -0.25 0.00 -0.52 0.00 0.00 57.07 57.93 2kk0 s TYR 19 Cb 0.00 -3.22 -0.07 0.00 0.38 0.00 0.00 41.96 39.05 2kk0 s TYR 19 CO 0.00 -2.23 0.78 -1.83 -1.52 0.00 0.00 175.55 170.75 2kk0 s GLU 20 N -4.56 4.55 0.00 -3.49 -1.05 -1.26 -4.83 118.70 108.06 2kk0 s GLU 20 Ca 0.66 1.14 -0.29 0.00 -0.15 0.00 0.00 54.97 56.33 2kk0 s GLU 20 Cb -0.21 -3.30 0.11 0.00 -0.44 0.00 0.00 34.13 30.28 2kk0 s GLU 20 CO 0.53 0.45 1.26 -2.00 0.95 0.00 0.00 175.26 176.45 2kk0 s GLU 21 N -0.69 0.47 -0.69 -4.83 2.56 -1.26 -5.05 118.70 109.21 2kk0 s GLU 21 Ca 0.37 -0.28 -0.27 0.00 0.00 0.00 0.00 54.97 54.79 2kk0 s GLU 21 Cb -0.22 0.15 -0.13 0.00 2.00 0.00 0.00 34.13 35.92 2kk0 s GLU 21 CO 0.25 -0.22 2.50 1.04 -0.56 0.00 0.00 175.26 178.28 2kk0 n GLN 22 N -0.63 0.64 -1.52 4.30 1.13 -1.26 -4.76 117.38 115.28 2kk0 n GLN 22 Ca -0.05 -0.06 -0.31 0.00 -1.94 0.00 0.00 57.00 54.65 2kk0 n GLN 22 Cb 0.61 -2.76 -0.12 0.00 0.11 0.00 0.00 30.24 28.08 2kk0 n GLN 22 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2kk0 n PHE 23 N 14.06 0.77 0.26 1.08 7.35 -1.26 -4.77 117.46 134.94 2kk0 n PHE 23 Ca 0.48 0.16 0.09 0.00 -0.76 0.00 0.00 57.45 57.42 2kk0 n PHE 23 Cb 0.36 -2.07 0.68 0.00 0.35 0.00 0.00 39.48 38.80 2kk0 n PHE 23 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2kk0 h LYS 24 N 13.90 0.00 -0.96 -4.13 1.63 -2.02 -2.90 116.57 122.09 2kk0 h LYS 24 Ca -0.07 0.00 0.19 0.00 -0.85 0.00 0.00 60.65 59.92 2kk0 h LYS 24 Cb 1.20 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.73 2kk0 h LYS 24 CO 1.32 0.07 0.54 0.37 -3.45 0.00 0.00 179.45 178.30 2kk0 h GLN 25 N 0.00 0.64 -0.17 1.90 5.75 -1.96 0.36 115.11 121.63 2kk0 h GLN 25 Ca -0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2kk0 h GLN 25 Cb 0.13 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2kk0 h GLN 25 CO 0.01 0.42 0.07 -0.07 -2.65 0.00 0.00 178.83 176.61 2kk0 h LEU 26 N 0.66 0.21 0.18 -2.39 3.38 -1.91 -0.88 115.31 114.56 2kk0 h LEU 26 Ca 0.56 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 58.21 2kk0 h LEU 26 Cb 0.92 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.64 2kk0 h LEU 26 CO -0.41 0.20 -1.45 1.88 0.09 0.00 0.00 178.44 178.75 2kk0 h TYR 27 N 0.24 0.68 0.00 1.13 -1.99 -0.60 -3.32 116.97 113.11 2kk0 h TYR 27 Ca 0.06 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.29 2kk0 h TYR 27 Cb 0.06 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.76 2kk0 h TYR 27 CO 0.00 1.45 0.00 0.39 -0.00 0.00 0.00 178.16 180.00 2kk0 n GLU 28 N -3.59 0.47 -0.17 4.88 1.02 0.33 -4.03 120.64 119.55 2kk0 n GLU 28 Ca -0.15 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 56.96 2kk0 n GLU 28 Cb 1.06 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 31.01 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 0.00 -0.85 -1.27 -4.62 3.38 -1.29 -3.11 115.31 107.56 2kk0 h LEU 29 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2kk0 h LEU 29 Cb 0.24 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2kk0 h LEU 29 CO 0.00 -0.26 0.00 -0.67 0.09 0.00 0.00 178.44 177.60 2kk0 n ASP 30 N -5.42 1.26 -3.74 -0.43 2.03 -1.26 -5.01 116.55 103.98 2kk0 n ASP 30 Ca 0.04 -1.17 -0.27 0.00 0.52 0.00 0.00 54.79 53.91 2kk0 n ASP 30 Cb 0.33 -0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.78 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kk0 n GLY 31 N 0.07 -0.52 3.47 0.27 0.00 -1.18 -4.99 105.19 102.31 2kk0 n GLY 31 Ca 0.01 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 2kk0 n GLY 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kk0 s ASP 32 N -3.35 4.50 0.33 1.61 2.15 -1.26 -5.02 116.67 115.63 2kk0 s ASP 32 Ca 0.61 -0.18 0.03 0.00 0.43 0.00 0.00 52.55 53.44 2kk0 s ASP 32 Cb -0.29 -1.61 0.61 0.00 -0.30 0.00 0.00 42.92 41.34 2kk0 s ASP 32 CO 0.78 0.20 1.94 1.55 -0.17 0.00 0.00 175.17 179.47 2kk0 h PRO 33 N 6.43 0.89 0.00 4.34 0.13 -1.95 -1.37 132.00 140.48 2kk0 h PRO 33 Ca -0.32 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kk0 h PRO 33 Cb 1.19 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2kk0 h PRO 33 CO 0.59 0.59 0.00 0.87 -0.23 0.00 0.00 178.00 179.82 2kk0 h LYS 34 N 0.92 0.00 0.10 0.86 1.79 -1.99 -3.17 116.57 115.08 2kk0 h LYS 34 Ca 0.34 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2kk0 h LYS 34 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2kk0 h LYS 34 CO -0.11 0.00 -0.05 -0.09 -1.08 0.00 0.00 179.45 178.12 2kk0 h ARG 35 N 0.00 -0.13 -0.05 3.15 9.65 -1.60 0.37 114.38 125.76 2kk0 h ARG 35 Ca 0.00 0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.73 2kk0 h ARG 35 Cb 0.69 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 2kk0 h ARG 35 CO 0.00 -0.01 -0.66 1.57 2.80 0.00 0.00 179.97 183.67 2kk0 h LYS 36 N -0.22 0.21 -0.47 0.20 -0.00 -1.62 -1.21 116.57 113.45 2kk0 h LYS 36 Ca -0.01 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.65 60.45 2kk0 h LYS 36 Cb 0.18 0.03 -0.02 0.00 -0.00 0.00 0.00 32.23 32.42 2kk0 h LYS 36 CO 0.02 0.80 0.19 0.93 -0.00 0.00 0.00 179.45 181.39 2kk0 h GLU 37 N 0.15 0.71 0.19 0.07 5.08 -1.51 -0.06 114.58 119.21 2kk0 h GLU 37 Ca -0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2kk0 h GLU 37 Cb 1.19 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2kk0 h GLU 37 CO 0.10 0.64 -0.09 0.35 -1.00 0.00 0.00 179.01 179.01 2kk0 h PHE 38 N 0.63 -0.23 -0.94 4.33 3.04 -0.80 -1.87 116.94 121.10 2kk0 h PHE 38 Ca 0.16 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.13 2kk0 h PHE 38 Cb 0.19 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.73 2kk0 h PHE 38 CO 0.00 -0.09 0.62 -0.07 -2.02 0.00 0.00 178.31 176.75 2kk0 h LEU 39 N -0.31 1.05 0.11 0.59 3.38 -1.16 0.77 115.31 119.74 2kk0 h LEU 39 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2kk0 h LEU 39 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2kk0 h LEU 39 CO 0.04 0.74 -0.05 -0.78 0.09 0.00 0.00 178.44 178.48 2kk0 h ASP 40 N 1.23 -0.13 -0.84 -0.43 3.58 -0.90 0.13 116.42 119.05 2kk0 h ASP 40 Ca 0.36 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.71 2kk0 h ASP 40 Cb -0.07 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 2kk0 h ASP 40 CO -0.10 0.03 0.56 -0.78 -2.88 0.00 0.00 179.24 176.07 2kk0 h ASP 41 N -0.28 0.96 0.73 2.28 3.58 -1.03 0.32 116.42 122.97 2kk0 h ASP 41 Ca -0.02 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 2kk0 h ASP 41 Cb 0.23 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.05 2kk0 h ASP 41 CO 0.03 0.70 -0.35 0.25 -2.88 0.00 0.00 179.24 176.98 2kk0 h LEU 42 N 1.14 -0.83 -0.95 2.28 5.85 -0.65 0.35 115.31 122.50 2kk0 h LEU 42 Ca 0.31 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.08 2kk0 h LEU 42 Cb -0.13 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2kk0 h LEU 42 CO -0.07 -0.48 0.61 -0.26 -0.34 0.00 0.00 178.44 177.90 2kk0 h PHE 43 N -1.17 1.14 -0.23 1.25 -1.00 -0.64 -1.26 116.94 115.03 2kk0 h PHE 43 Ca -0.10 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 2kk0 h PHE 43 Cb 0.77 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 2kk0 h PHE 43 CO -0.00 0.62 -0.06 0.77 -1.61 0.00 0.00 178.31 178.03 2kk0 h SER 44 N 1.15 0.46 0.03 2.17 0.02 -0.96 -1.00 113.55 115.41 2kk0 h SER 44 Ca 0.39 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2kk0 h SER 44 Cb 0.08 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2kk0 h SER 44 CO -0.15 0.73 -0.10 0.15 -1.14 0.00 0.00 176.83 176.32 2kk0 h PHE 45 N 0.19 -0.25 -0.14 3.45 3.57 -0.41 -0.25 116.94 123.11 2kk0 h PHE 45 Ca 0.06 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 2kk0 h PHE 45 Cb 0.53 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2kk0 h PHE 45 CO 0.05 -0.15 -0.24 0.00 -2.23 0.00 0.00 178.31 175.74 2kk0 h MET 46 N -0.18 0.24 -0.16 1.11 -0.00 -1.29 -2.80 114.93 111.85 2kk0 h MET 46 Ca 0.03 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2kk0 h MET 46 Cb 0.21 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.78 2kk0 h MET 46 CO -0.08 0.48 0.10 0.37 -0.00 0.00 0.00 176.91 177.77 2kk0 h GLN 47 N 0.22 0.21 -0.78 -0.10 4.15 -0.60 0.53 115.11 118.75 2kk0 h GLN 47 Ca 0.04 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.49 2kk0 h GLN 47 Cb 0.55 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.14 2kk0 h GLN 47 CO 0.04 0.18 0.48 0.87 -1.93 0.00 0.00 178.83 178.46 2kk0 h LYS 48 N 0.19 0.85 0.00 1.69 1.57 -0.80 -0.33 116.57 119.75 2kk0 h LYS 48 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kk0 h LYS 48 Cb 0.02 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2kk0 h LYS 48 CO -0.01 0.56 0.00 2.89 -0.57 0.00 0.00 179.45 182.32 2kk0 n ARG 49 N -4.67 0.57 -0.15 3.15 1.85 -1.13 -4.84 116.66 111.44 2kk0 n ARG 49 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 2kk0 n ARG 49 Cb 0.16 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 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 0.37 1.50 2.50 2.89 0.00 -0.13 -5.06 105.19 107.26 2kk0 n GLY 50 Ca 0.14 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2kk0 n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kk0 n THR 51 N -1.59 -0.79 -1.50 2.61 5.66 0.17 -5.01 114.28 113.84 2kk0 n THR 51 Ca 0.00 -2.68 -0.29 0.00 -3.05 0.00 0.00 64.05 58.03 2kk0 n THR 51 Cb 0.03 -0.78 0.16 0.00 -1.55 0.00 0.00 70.33 68.18 2kk0 n THR 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2kk0 s PRO 52 N 0.23 0.77 -0.95 1.09 0.04 -1.25 -3.44 135.00 131.49 2kk0 s PRO 52 Ca 0.32 0.19 -0.24 0.00 0.04 0.00 0.00 61.00 61.31 2kk0 s PRO 52 Cb 0.04 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 2kk0 s PRO 52 CO -0.15 -2.43 1.72 0.08 0.04 0.00 0.00 177.00 176.26 2kk0 s VAL 53 N -3.29 3.65 0.02 -0.36 1.01 -1.26 -4.77 120.40 115.40 2kk0 s VAL 53 Ca 0.66 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 2kk0 s VAL 53 Cb -0.13 -4.47 -0.17 0.00 0.00 0.00 0.00 36.38 31.61 2kk0 s VAL 53 CO 0.54 -1.39 1.27 0.78 0.00 0.00 0.00 175.10 176.30 2kk0 h ASN 54 N 10.68 0.35 -5.50 3.32 -0.26 -1.94 -3.47 115.58 118.75 2kk0 h ASN 54 Ca 0.13 -0.55 -0.21 0.00 -0.56 0.00 0.00 56.30 55.12 2kk0 h ASN 54 Cb 1.01 -0.10 -0.15 0.00 -1.06 0.00 0.00 38.32 38.03 2kk0 h ASN 54 CO 1.31 0.83 -0.59 0.00 -1.06 0.00 0.00 177.43 177.92 2kk0 s ARG 55 N -4.02 1.12 -0.08 0.81 1.70 -1.26 -4.57 118.95 112.64 2kk0 s ARG 55 Ca -0.14 -1.53 0.01 0.00 -0.47 0.00 0.00 55.73 53.60 2kk0 s ARG 55 Cb 0.04 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 2kk0 s ARG 55 CO 0.75 -0.36 -0.11 0.42 -1.08 0.00 0.00 175.30 174.92 2kk0 s ILE 56 N -4.11 3.31 -0.10 4.99 1.01 -1.26 -5.09 121.20 119.96 2kk0 s ILE 56 Ca 0.32 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 2kk0 s ILE 56 Cb 0.07 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 2kk0 s ILE 56 CO 0.08 0.57 1.83 -2.16 0.00 0.00 0.00 174.94 175.25 2kk0 s PRO 57 N -0.39 3.88 -0.20 2.79 0.04 -1.26 -4.98 135.00 134.88 2kk0 s PRO 57 Ca 0.05 2.13 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 2kk0 s PRO 57 Cb -0.12 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2kk0 s PRO 57 CO 0.02 -1.22 0.08 0.42 0.04 0.00 0.00 177.00 176.34 2kk0 s ILE 58 N 5.20 4.78 -0.06 0.56 -1.09 -1.26 -1.26 121.20 128.07 2kk0 s ILE 58 Ca 0.82 -0.03 0.03 0.00 -2.23 0.00 0.00 60.65 59.24 2kk0 s ILE 58 Cb -0.34 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2kk0 s ILE 58 CO 0.34 0.42 -0.15 -0.32 -1.23 0.00 0.00 174.94 174.00 2kk0 s MET 59 N 0.67 1.83 -1.39 2.79 -2.45 0.83 -4.86 119.30 116.72 2kk0 s MET 59 Ca 0.04 -0.54 -0.00 0.00 -1.25 0.00 0.00 55.69 53.93 2kk0 s MET 59 Cb -0.13 -1.53 0.00 0.00 1.25 0.00 0.00 34.83 34.42 2kk0 s MET 59 CO 0.02 0.15 0.46 0.00 1.05 0.00 0.00 175.02 176.69 2kk0 n ALA 60 N 3.44 -2.01 -0.61 4.11 0.00 -1.26 -0.81 120.51 123.37 2kk0 n ALA 60 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2kk0 n ALA 60 Cb 0.53 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -4.38 0.00 -4.52 0.00 4.76 -1.26 -4.97 118.16 107.80 2kk0 n LYS 61 Ca -0.31 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 54.89 2kk0 n LYS 61 Cb 0.69 -3.15 -0.10 0.00 -1.84 0.00 0.00 35.03 30.62 2kk0 n LYS 61 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2kk0 s GLN 62 N -0.32 1.79 -0.07 1.97 1.03 0.01 -4.26 119.66 119.80 2kk0 s GLN 62 Ca 0.00 -2.02 -0.21 0.00 0.04 0.00 0.00 55.36 53.17 2kk0 s GLN 62 Cb 0.00 -1.08 -0.04 0.00 0.03 0.00 0.00 33.01 31.92 2kk0 s GLN 62 CO 0.00 -0.19 0.61 0.54 -2.54 0.00 0.00 175.29 173.71 2kk0 s VAL 63 N -3.12 5.07 -0.25 3.63 0.11 -1.26 -0.12 120.40 124.47 2kk0 s VAL 63 Ca 0.33 1.26 -0.29 0.00 -2.93 0.00 0.00 61.98 60.35 2kk0 s VAL 63 Cb 0.08 -3.95 -0.02 0.00 -1.53 0.00 0.00 36.38 30.95 2kk0 s VAL 63 CO 0.15 0.30 1.66 -0.22 -3.33 0.00 0.00 175.10 173.66 2kk0 s LEU 64 N 0.61 3.78 -0.88 2.54 2.96 -0.39 -4.85 118.68 122.45 2kk0 s LEU 64 Ca 0.33 1.52 -0.26 0.00 -0.22 0.00 0.00 54.13 55.50 2kk0 s LEU 64 Cb -0.17 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 2kk0 s LEU 64 CO 0.15 -1.38 2.24 -1.81 -1.32 0.00 0.00 176.35 174.23 2kk0 s ASP 65 N 4.70 4.13 0.25 3.68 1.11 -1.26 -4.80 116.67 124.48 2kk0 s ASP 65 Ca 0.73 -0.37 -0.03 0.00 0.18 0.00 0.00 52.55 53.06 2kk0 s ASP 65 Cb -0.24 -2.56 0.47 0.00 1.07 0.00 0.00 42.92 41.66 2kk0 s ASP 65 CO 0.31 -3.76 1.75 -0.07 1.18 0.00 0.00 175.17 174.58 2kk0 h LEU 66 N 21.30 0.41 -0.05 1.23 3.38 -1.95 0.13 115.31 139.77 2kk0 h LEU 66 Ca 0.04 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2kk0 h LEU 66 Cb 1.00 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2kk0 h LEU 66 CO 1.06 0.18 -0.03 0.15 0.09 0.00 0.00 178.44 179.89 2kk0 h PHE 67 N 0.54 -0.07 -0.36 1.13 3.04 -1.93 -1.75 116.94 117.53 2kk0 h PHE 67 Ca 0.42 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.28 2kk0 h PHE 67 Cb 0.60 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 2kk0 h PHE 67 CO -0.13 -0.05 -0.16 0.52 -2.02 0.00 0.00 178.31 176.47 2kk0 h MET 68 N -0.03 0.74 -0.53 1.11 0.00 -1.78 -2.76 114.93 111.68 2kk0 h MET 68 Ca 0.03 -0.32 0.08 0.00 0.00 0.00 0.00 59.70 59.50 2kk0 h MET 68 Cb 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 31.60 31.59 2kk0 h MET 68 CO -0.07 0.93 0.15 1.25 0.00 0.00 0.00 176.91 179.16 2kk0 h LEU 69 N 0.53 0.09 -0.14 1.22 5.85 -0.68 -0.15 115.31 122.03 2kk0 h LEU 69 Ca 0.08 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2kk0 h LEU 69 Cb 0.70 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2kk0 h LEU 69 CO 0.05 0.07 -0.10 0.22 -0.34 0.00 0.00 178.44 178.34 2kk0 h TYR 70 N 0.30 -0.25 0.56 1.25 3.20 -1.20 -1.91 116.97 118.92 2kk0 h TYR 70 Ca 0.26 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 2kk0 h TYR 70 Cb 0.33 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2kk0 h TYR 70 CO -0.20 -0.16 -0.30 0.28 -1.64 0.00 0.00 178.16 176.14 2kk0 h VAL 71 N -0.11 0.38 -0.63 1.81 2.07 -1.10 -0.76 116.25 117.90 2kk0 h VAL 71 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 2kk0 h VAL 71 Cb 0.24 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2kk0 h VAL 71 CO -0.21 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.73 2kk0 h LEU 72 N -0.80 0.46 0.00 2.57 -0.00 -0.98 -1.31 115.31 115.25 2kk0 h LEU 72 Ca -0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 2kk0 h LEU 72 Cb 0.63 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2kk0 h LEU 72 CO 0.10 0.28 -0.07 0.58 -0.00 0.00 0.00 178.44 179.33 2kk0 h VAL 73 N 0.51 0.83 -0.97 1.22 2.07 -1.25 -3.35 116.25 115.31 2kk0 h VAL 73 Ca 0.28 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 66.22 2kk0 h VAL 73 Cb 0.44 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 2kk0 h VAL 73 CO -0.09 0.28 0.62 0.71 0.02 0.00 0.00 177.57 179.12 2kk0 h THR 74 N -1.00 1.11 -0.09 2.57 1.35 -1.03 -1.39 112.91 114.42 2kk0 h THR 74 Ca -0.01 -0.40 0.03 0.00 -0.55 0.00 0.00 66.41 65.47 2kk0 h THR 74 Cb 0.51 -0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 66.77 2kk0 h THR 74 CO -0.01 0.21 0.09 1.05 -0.25 0.00 0.00 175.52 176.62 2kk0 h GLU 75 N 1.17 0.00 0.00 4.72 4.11 -1.42 0.31 114.58 123.47 2kk0 h GLU 75 Ca 0.41 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.78 2kk0 h GLU 75 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2kk0 h GLU 75 CO -0.15 0.00 -0.27 0.87 0.07 0.00 0.00 179.01 179.53 2kk0 h LYS 76 N 0.00 0.00 0.00 1.06 1.79 -1.39 -3.46 116.57 114.57 2kk0 h LYS 76 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2kk0 h LYS 76 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2kk0 h LYS 76 CO -0.00 0.27 0.00 0.41 -1.08 0.00 0.00 179.45 179.05 2kk0 n GLY 77 N 0.81 -0.30 0.00 3.86 0.00 0.09 -4.87 105.19 104.78 2kk0 n GLY 77 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 2.01 0.36 -0.02 0.00 -1.17 -4.54 105.19 101.83 2kk0 n GLY 78 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.04 -0.92 0.99 5.85 -1.94 -1.84 115.31 116.41 2kk0 h LEU 79 Ca 0.00 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kk0 h LEU 79 Cb 0.00 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 2kk0 h LEU 79 CO 0.00 -0.41 0.58 0.58 -0.34 0.00 0.00 178.44 178.85 2kk0 h VAL 80 N -0.52 1.06 -0.04 1.05 2.07 -1.96 -0.55 116.25 117.37 2kk0 h VAL 80 Ca 0.05 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.23 2kk0 h VAL 80 Cb 0.59 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2kk0 h VAL 80 CO -0.27 0.19 -0.10 -0.08 0.02 0.00 0.00 177.57 177.34 2kk0 h GLU 81 N 1.06 -0.14 -0.75 1.57 4.57 -1.69 0.11 114.58 119.31 2kk0 h GLU 81 Ca 0.40 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.61 2kk0 h GLU 81 Cb 0.17 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 2kk0 h GLU 81 CO -0.17 -0.09 0.49 0.28 -1.18 0.00 0.00 179.01 178.34 2kk0 h VAL 82 N -0.15 1.15 -0.19 0.32 2.07 -0.70 -0.36 116.25 118.39 2kk0 h VAL 82 Ca 0.05 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2kk0 h VAL 82 Cb 0.22 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2kk0 h VAL 82 CO -0.13 0.18 0.02 0.40 0.02 0.00 0.00 177.57 178.05 2kk0 h ILE 83 N 0.96 1.24 -0.09 4.57 2.04 -0.56 0.11 117.51 125.78 2kk0 h ILE 83 Ca 0.29 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2kk0 h ILE 83 Cb -0.03 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2kk0 h ILE 83 CO -0.07 0.24 -0.24 0.78 0.00 0.00 0.00 178.15 178.86 2kk0 h ASN 84 N 0.11 0.16 0.59 1.72 2.35 -0.32 -2.91 115.58 117.27 2kk0 h ASN 84 Ca 0.06 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2kk0 h ASN 84 Cb 0.34 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2kk0 h ASN 84 CO 0.01 0.41 -0.82 0.29 -1.65 0.00 0.00 177.43 175.67 2kk0 n LYS 85 N -4.19 0.25 -0.96 0.81 5.02 -0.19 -4.96 118.16 113.94 2kk0 n LYS 85 Ca -0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2kk0 n LYS 85 Cb 0.34 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2kk0 n LYS 85 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kk0 n LYS 86 N -1.95 -1.60 -0.09 1.97 4.01 0.39 -4.84 118.16 116.04 2kk0 n LYS 86 Ca 0.03 0.40 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 2kk0 n LYS 86 Cb 0.42 -4.72 0.00 0.00 -0.51 0.00 0.00 35.03 30.22 2kk0 n LYS 86 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2kk0 n LEU 87 N 0.00 3.27 0.27 -0.35 -0.00 -1.21 -4.19 117.00 114.79 2kk0 n LEU 87 Ca 0.00 -1.58 0.17 0.00 -0.00 0.00 0.00 56.01 54.59 2kk0 n LEU 87 Cb 0.40 -0.59 0.91 0.00 -0.00 0.00 0.00 43.42 44.15 2kk0 n LEU 87 CO 0.00 0.57 1.14 -0.50 -0.00 0.00 0.00 177.39 178.60 2kk0 h TRP 88 N 0.33 0.00 -0.22 1.47 4.06 -1.88 0.74 115.95 120.45 2kk0 h TRP 88 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2kk0 h TRP 88 Cb 0.94 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 2kk0 h TRP 88 CO 0.05 0.00 0.15 0.07 -3.56 0.00 0.00 178.44 175.14 2kk0 h ARG 89 N 0.00 0.24 -0.05 0.49 0.11 -2.00 -0.94 114.38 112.24 2kk0 h ARG 89 Ca 0.03 -0.01 -0.17 0.00 0.10 0.00 0.00 59.98 59.93 2kk0 h ARG 89 Cb 0.21 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 2kk0 h ARG 89 CO -0.00 0.16 -0.70 0.93 0.10 0.00 0.00 179.97 180.46 2kk0 h GLU 90 N 0.25 0.26 0.24 0.08 4.39 -1.20 -2.66 114.58 115.94 2kk0 h GLU 90 Ca 0.08 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2kk0 h GLU 90 Cb 0.03 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2kk0 h GLU 90 CO -0.02 0.86 -0.11 0.82 -1.16 0.00 0.00 179.01 179.40 2kk0 h ILE 91 N 0.18 0.80 -0.35 3.13 1.08 -1.16 -0.58 117.51 120.61 2kk0 h ILE 91 Ca -0.02 -0.77 0.06 0.00 -0.39 0.00 0.00 64.86 63.74 2kk0 h ILE 91 Cb 1.26 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 36.17 2kk0 h ILE 91 CO 0.11 0.16 0.04 0.71 -0.69 0.00 0.00 178.15 178.48 2kk0 h THR 92 N -0.74 0.79 -0.85 -0.27 1.35 -1.35 -1.37 112.91 110.47 2kk0 h THR 92 Ca -0.03 -0.05 0.03 0.00 -0.55 0.00 0.00 66.41 65.81 2kk0 h THR 92 Cb 0.50 0.63 -0.05 0.00 -1.73 0.00 0.00 68.15 67.49 2kk0 h THR 92 CO 0.05 0.03 0.55 0.50 -0.25 0.00 0.00 175.52 176.40 2kk0 h LYS 93 N 0.15 1.03 0.00 4.72 1.63 -1.50 0.62 116.57 123.22 2kk0 h LYS 93 Ca 0.17 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2kk0 h LYS 93 Cb 0.21 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 2kk0 h LYS 93 CO -0.24 0.68 -0.12 0.78 -3.45 0.00 0.00 179.45 177.10 2kk0 h GLY 94 N 1.06 0.00 -0.88 5.01 0.00 -0.44 -1.00 103.07 106.83 2kk0 h GLY 94 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2kk0 h GLY 94 CO -0.12 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.46 2kk0 n LEU 95 N -4.35 1.60 -1.28 3.11 4.77 -0.48 -4.90 117.00 115.47 2kk0 n LEU 95 Ca -0.03 -0.72 -0.14 0.00 -0.03 0.00 0.00 56.01 55.09 2kk0 n LEU 95 Cb 0.20 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2kk0 n LEU 95 CO 0.35 0.36 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.42 2kk0 n ASN 96 N 0.31 -4.64 -4.87 -1.43 2.85 -0.38 -5.00 115.26 102.10 2kk0 n ASN 96 Ca 0.14 0.24 -0.31 0.00 -0.11 0.00 0.00 54.58 54.54 2kk0 n ASN 96 Cb 0.29 -3.54 -0.04 0.00 1.24 0.00 0.00 39.78 37.74 2kk0 n ASN 96 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kk0 s LEU 97 N -3.57 3.95 0.07 1.20 1.43 0.09 -4.99 118.68 116.85 2kk0 s LEU 97 Ca 0.00 1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 53.93 2kk0 s LEU 97 Cb 0.00 -3.98 -0.07 0.00 0.03 0.00 0.00 46.19 42.17 2kk0 s LEU 97 CO 0.00 -0.29 1.37 -2.16 0.23 0.00 0.00 176.35 175.50 2kk0 s PRO 98 N -3.45 4.32 0.00 1.29 0.04 -1.26 -4.26 135.00 131.68 2kk0 s PRO 98 Ca 0.51 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2kk0 s PRO 98 Cb -0.10 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2kk0 s PRO 98 CO 0.26 -0.47 0.73 -2.37 0.04 0.00 0.00 177.00 175.19 2kk0 n THR 99 N 4.22 0.00 -0.23 1.26 5.66 -1.26 -2.87 114.28 121.06 2kk0 n THR 99 Ca 0.12 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.22 2kk0 n THR 99 Cb 0.43 -0.14 0.27 0.00 -1.55 0.00 0.00 70.33 69.34 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 -0.46 3.62 -4.63 1.09 2.88 -1.26 -4.95 113.62 109.92 2kk0 n SER 100 Ca 0.00 -1.99 -0.43 0.00 -1.33 0.00 0.00 58.87 55.12 2kk0 n SER 100 Cb 0.01 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.06 2kk0 n SER 100 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kk0 s ILE 101 N -1.06 3.91 0.37 2.46 1.01 -1.14 -4.99 121.20 121.77 2kk0 s ILE 101 Ca 0.41 1.03 -0.28 0.00 0.00 0.00 0.00 60.65 61.81 2kk0 s ILE 101 Cb 0.22 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 2kk0 s ILE 101 CO 0.29 -0.39 1.35 -0.89 0.00 0.00 0.00 174.94 175.30 2kk0 s THR 102 N 4.82 2.50 -1.36 2.92 2.01 -1.26 -3.02 115.64 122.25 2kk0 s THR 102 Ca 0.64 0.49 0.00 0.00 0.31 0.00 0.00 61.69 63.13 2kk0 s THR 102 Cb -0.21 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2kk0 s THR 102 CO 0.26 0.10 0.00 -1.54 -0.69 0.00 0.00 174.62 172.76 2kk0 n SER 103 N 0.51 -3.94 -0.13 3.53 3.41 -1.26 -4.84 113.62 110.89 2kk0 n SER 103 Ca 0.01 0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.80 2kk0 n SER 103 Cb 0.42 -3.50 -0.01 0.00 -0.26 0.00 0.00 64.21 60.85 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 0.81 0.51 -0.87 7.33 0.00 -1.96 0.05 119.26 125.13 2kk0 h ALA 104 Ca -0.31 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.58 2kk0 h ALA 104 Cb 1.05 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2kk0 h ALA 104 CO 0.41 0.12 0.56 0.00 0.00 0.00 0.00 179.25 180.34 2kk0 h ALA 105 N 1.00 1.74 0.02 0.00 0.00 -1.88 0.52 119.26 120.66 2kk0 h ALA 105 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kk0 h ALA 105 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kk0 h ALA 105 CO -0.01 0.06 -0.01 0.35 0.00 0.00 0.00 179.25 179.64 2kk0 h PHE 106 N 0.78 -0.03 0.13 0.00 3.57 -1.90 -3.16 116.94 116.33 2kk0 h PHE 106 Ca 0.42 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.92 2kk0 h PHE 106 Cb 0.54 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2kk0 h PHE 106 CO -0.00 0.70 -0.14 1.15 -2.23 0.00 0.00 178.31 177.79 2kk0 h THR 107 N -0.84 0.69 -0.89 4.41 2.02 -0.57 -0.21 112.91 117.51 2kk0 h THR 107 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2kk0 h THR 107 Cb 0.74 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 2kk0 h THR 107 CO 0.01 0.00 0.58 -0.07 0.37 0.00 0.00 175.52 176.41 2kk0 h LEU 108 N -0.30 0.92 -0.44 2.58 3.38 -1.10 -1.47 115.31 118.88 2kk0 h LEU 108 Ca 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kk0 h LEU 108 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2kk0 h LEU 108 CO -0.04 0.61 0.24 -0.09 0.09 0.00 0.00 178.44 179.25 2kk0 h ARG 109 N 1.05 0.62 -0.36 1.13 2.43 -1.34 0.25 114.38 118.17 2kk0 h ARG 109 Ca 0.37 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 2kk0 h ARG 109 Cb 0.13 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2kk0 h ARG 109 CO -0.13 0.50 0.05 1.15 -1.51 0.00 0.00 179.97 180.03 2kk0 h THR 110 N 0.58 1.24 -0.24 0.20 2.02 -0.56 0.16 112.91 116.31 2kk0 h THR 110 Ca 0.16 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 2kk0 h THR 110 Cb 0.06 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2kk0 h THR 110 CO -0.02 0.29 0.14 1.56 0.37 0.00 0.00 175.52 177.85 2kk0 h GLN 111 N 0.44 0.33 -0.67 6.66 1.08 -1.12 -1.22 115.11 120.61 2kk0 h GLN 111 Ca 0.11 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2kk0 h GLN 111 Cb 0.37 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 2kk0 h GLN 111 CO 0.01 0.28 0.44 -0.92 -0.95 0.00 0.00 178.83 177.69 2kk0 h TYR 112 N 0.29 0.82 0.00 2.96 5.03 -0.89 -0.98 116.97 124.21 2kk0 h TYR 112 Ca 0.09 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 2kk0 h TYR 112 Cb 0.04 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.04 2kk0 h TYR 112 CO -0.04 0.50 -0.04 1.98 -1.32 0.00 0.00 178.16 179.24 2kk0 h MET 113 N 0.88 0.00 0.00 1.82 4.05 -0.20 0.47 114.93 121.94 2kk0 h MET 113 Ca 0.25 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.52 2kk0 h MET 113 Cb -0.06 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2kk0 h MET 113 CO -0.07 0.04 -0.90 0.87 0.23 0.00 0.00 176.91 177.07 2kk0 h LYS 114 N 0.00 0.00 0.03 0.39 1.57 -0.75 -3.39 116.57 114.43 2kk0 h LYS 114 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 2kk0 h LYS 114 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2kk0 h LYS 114 CO 0.01 0.82 -1.64 0.66 -0.57 0.00 0.00 179.45 178.73 2kk0 n TYR 115 N -4.50 0.91 0.33 -1.35 4.02 -0.42 -4.61 117.16 111.54 2kk0 n TYR 115 Ca -0.24 0.33 0.11 0.00 -0.01 0.00 0.00 57.90 58.09 2kk0 n TYR 115 Cb 0.57 -1.10 -0.15 0.00 -0.02 0.00 0.00 39.34 38.63 2kk0 n TYR 115 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2kk0 n LEU 116 N -4.15 0.34 0.07 7.72 4.77 -0.26 -4.51 117.00 120.99 2kk0 n LEU 116 Ca -0.35 -0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.34 2kk0 n LEU 116 Cb 0.80 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 2kk0 n LEU 116 CO 0.23 0.08 0.83 0.22 -1.33 0.00 0.00 177.39 177.41 2kk0 h TYR 117 N 0.00 -0.16 -0.13 -1.77 3.20 -0.34 0.56 116.97 118.34 2kk0 h TYR 117 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2kk0 h TYR 117 Cb 0.83 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 2kk0 h TYR 117 CO 0.00 -0.10 -0.07 -1.00 -1.64 0.00 0.00 178.16 175.35 2kk0 h PRO 118 N -0.14 0.19 -0.19 1.82 0.13 -1.83 -2.76 132.00 129.21 2kk0 h PRO 118 Ca 0.01 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.93 2kk0 h PRO 118 Cb 0.14 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.24 2kk0 h PRO 118 CO -0.02 0.27 -0.60 -0.92 -0.23 0.00 0.00 178.00 176.49 2kk0 h TYR 119 N 0.18 0.80 0.10 1.56 3.20 -1.63 -2.49 116.97 118.69 2kk0 h TYR 119 Ca 0.04 -0.30 0.02 0.00 3.14 0.00 0.00 58.73 61.63 2kk0 h TYR 119 Cb 0.24 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2kk0 h TYR 119 CO 0.00 1.07 -0.27 1.49 -1.64 0.00 0.00 178.16 178.81 2kk0 h GLU 120 N 0.47 -0.45 -0.99 1.82 4.81 -0.62 -2.13 114.58 117.48 2kk0 h GLU 120 Ca -0.00 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 2kk0 h GLU 120 Cb 1.17 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.56 2kk0 h GLU 120 CO 0.12 -0.30 0.60 0.00 -0.73 0.00 0.00 179.01 178.70 2kk0 h GLU 122 N 0.88 -0.23 0.00 0.00 4.57 -1.03 -3.30 114.58 115.48 2kk0 h GLU 122 Ca 0.52 0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.61 2kk0 h GLU 122 Cb 0.63 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 2kk0 h GLU 122 CO -0.31 -0.06 -1.02 0.87 -1.18 0.00 0.00 179.01 177.32 2kk0 h LYS 123 N -0.36 0.00 -2.16 1.92 1.79 -1.07 -3.45 116.57 113.24 2kk0 h LYS 123 Ca -0.02 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.25 2kk0 h LYS 123 Cb 0.28 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 30.61 2kk0 h LYS 123 CO 0.04 0.26 -0.52 1.03 -1.08 0.00 0.00 179.45 179.18 2kk0 s ARG 124 N -3.04 0.29 -1.23 3.15 1.81 0.13 -5.06 118.95 114.99 2kk0 s ARG 124 Ca -0.00 0.48 -0.14 0.00 -1.72 0.00 0.00 55.73 54.35 2kk0 s ARG 124 Cb 0.08 -0.63 -0.05 0.00 -0.45 0.00 0.00 34.95 33.90 2kk0 s ARG 124 CO 0.78 -0.61 2.30 0.41 -0.68 0.00 0.00 175.30 177.50 2kk0 n GLY 125 N 5.35 3.70 0.05 -3.53 0.00 -1.25 -3.75 105.19 105.77 2kk0 n GLY 125 Ca -0.05 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 2kk0 n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kk0 h LEU 126 N 9.96 0.00-10.22 0.99 3.38 -1.88 -3.49 115.31 114.05 2kk0 h LEU 126 Ca 0.59 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 58.10 2kk0 h LEU 126 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2kk0 h LEU 126 CO 1.81 0.56 -0.38 -0.94 0.09 0.00 0.00 178.44 179.58 2kk0 s SER 127 N -5.21 5.71 0.10 -0.43 1.04 -1.26 -5.07 113.70 108.58 2kk0 s SER 127 Ca -0.10 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.10 2kk0 s SER 127 Cb 0.01 -1.12 -0.03 0.00 0.10 0.00 0.00 66.02 64.98 2kk0 s SER 127 CO 0.15 -0.41 -0.19 0.20 0.98 0.00 0.00 173.24 173.96 2kk0 s ASN 128 N -4.11 2.38 0.53 7.02 0.01 -1.26 -4.96 114.94 114.54 2kk0 s ASN 128 Ca 0.44 -0.69 0.18 0.00 -0.71 0.00 0.00 52.86 52.07 2kk0 s ASN 128 Cb -0.08 -0.12 1.33 0.00 0.41 0.00 0.00 41.25 42.79 2kk0 s ASN 128 CO 0.29 0.02 2.15 1.55 -1.51 0.00 0.00 177.10 179.61 2kk0 h PRO 129 N 4.03 0.00 0.27 -0.60 0.13 -2.00 -1.85 132.00 131.97 2kk0 h PRO 129 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2kk0 h PRO 129 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kk0 h PRO 129 CO 0.41 0.01 -0.13 -0.91 -0.23 0.00 0.00 178.00 177.15 2kk0 h ASN 130 N 0.00 -0.31 -0.15 1.44 2.35 -2.02 -3.11 115.58 113.79 2kk0 h ASN 130 Ca -0.00 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 2kk0 h ASN 130 Cb 0.03 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2kk0 h ASN 130 CO 0.00 0.07 0.03 1.05 -1.65 0.00 0.00 177.43 176.93 2kk0 h GLU 131 N -0.73 0.34 -0.61 0.81 4.11 -1.96 -2.89 114.58 113.65 2kk0 h GLU 131 Ca -0.04 -0.05 0.12 0.00 0.07 0.00 0.00 59.36 59.46 2kk0 h GLU 131 Cb 0.49 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 2kk0 h GLU 131 CO 0.06 0.35 0.08 1.25 0.07 0.00 0.00 179.01 180.82 2kk0 h LEU 132 N 0.34 -0.10 -0.15 3.06 5.85 -1.27 -0.77 115.31 122.27 2kk0 h LEU 132 Ca 0.08 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.95 2kk0 h LEU 132 Cb 0.19 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2kk0 h LEU 132 CO 0.00 -0.04 0.01 -0.61 -0.34 0.00 0.00 178.44 177.45 2kk0 h GLN 133 N 0.20 0.06 -0.54 1.25 5.75 -1.44 -1.40 115.11 118.99 2kk0 h GLN 133 Ca 0.32 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.82 2kk0 h GLN 133 Cb 0.51 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 2kk0 h GLN 133 CO -0.46 0.04 0.32 0.00 -2.65 0.00 0.00 178.83 176.08 2kk0 h ALA 134 N 1.12 1.56 -0.27 3.38 0.00 -1.49 0.40 119.26 123.96 2kk0 h ALA 134 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kk0 h ALA 134 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kk0 h ALA 134 CO -0.11 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.69 2kk0 h ALA 135 N 1.62 0.34 -0.36 0.00 0.00 -0.58 -1.42 119.26 118.85 2kk0 h ALA 135 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2kk0 h ALA 135 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2kk0 h ALA 135 CO -0.04 -0.15 -0.14 0.82 0.00 0.00 0.00 179.25 179.74 2kk0 h ILE 136 N 0.34 1.28 -0.37 0.00 2.04 -0.69 -1.93 117.51 118.17 2kk0 h ILE 136 Ca 0.10 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.77 2kk0 h ILE 136 Cb 0.02 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 2kk0 h ILE 136 CO -0.02 0.41 -0.01 0.44 0.00 0.00 0.00 178.15 178.98 2kk0 h ASP 137 N 0.53 -0.16 -0.67 1.72 3.32 -0.89 0.18 116.42 120.45 2kk0 h ASP 137 Ca 0.08 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.26 2kk0 h ASP 137 Cb 0.68 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 2kk0 h ASP 137 CO 0.05 -0.04 0.40 -1.28 -1.72 0.00 0.00 179.24 176.64 2kk0 h SER 138 N 0.10 0.64 -0.55 6.45 0.87 -1.07 0.08 113.55 120.06 2kk0 h SER 138 Ca 0.18 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 2kk0 h SER 138 Cb 0.26 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2kk0 h SER 138 CO -0.31 0.43 -0.08 0.78 -0.53 0.00 0.00 176.83 177.12 2kk0 h ASN 139 N 0.77 1.03 1.57 6.23 -0.26 -0.58 0.12 115.58 124.45 2kk0 h ASN 139 Ca 0.28 -0.33 -0.06 0.00 -0.56 0.00 0.00 56.30 55.64 2kk0 h ASN 139 Cb 0.09 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 2kk0 h ASN 139 CO -0.14 1.12 -0.26 0.08 -1.06 0.00 0.00 177.43 177.17 2kk0 h ARG 140 N 0.93 0.00 0.00 0.81 0.11 -0.43 -2.94 114.38 112.85 2kk0 h ARG 140 Ca 0.15 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.08 2kk0 h ARG 140 Cb 0.64 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.70 2kk0 h ARG 140 CO 0.04 0.26 -0.83 -0.09 0.10 0.00 0.00 179.97 179.46 2kk0 h ARG 141 N 0.00 0.00 -7.33 0.08 2.43 -0.84 -3.47 114.38 105.26 2kk0 h ARG 141 Ca -0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.66 2kk0 h ARG 141 Cb 1.12 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.73 2kk0 h ARG 141 CO 0.03 0.59 0.40 -2.00 -1.51 0.00 0.00 179.97 177.48 2kk0 s GLU 142 N -2.88 3.51 -0.53 0.20 -6.30 0.39 -3.84 118.70 109.25 2kk0 s GLU 142 Ca 0.02 0.83 0.00 0.00 -2.50 0.00 0.00 54.97 53.32 2kk0 s GLU 142 Cb 0.08 -2.07 0.00 0.00 0.00 0.00 0.00 34.13 32.14 2kk0 s GLU 142 CO 0.78 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.83 2kk0 n GLY 143 N -2.39 0.76 0.00 -1.50 0.00 -1.26 -4.92 105.19 95.88 2kk0 n GLY 143 Ca 0.06 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 2kk0 n GLY 143 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kk0 n ARG 144 N -2.57 0.00 0.00 1.61 1.85 -1.25 -5.18 116.66 111.12 2kk0 n ARG 144 Ca -0.05 -0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.81 2kk0 n ARG 144 Cb 0.20 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.62 2kk0 n ARG 144 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16