#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 1.27 -0.02 -5.12 0.00 -1.26 -5.03 107.32 97.16 2kk0 s GLY 2 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 44.72 43.40 2kk0 s GLY 2 CO 0.00 -1.34 1.77 1.42 0.00 0.00 0.00 173.10 174.95 2kk0 n HIS 3 N 0.81 0.10 -1.39 1.90 -0.00 -1.26 -4.75 115.22 110.63 2kk0 n HIS 3 Ca -0.17 -0.94 -0.42 0.00 -0.00 0.00 0.00 57.72 56.18 2kk0 n HIS 3 Cb 0.55 -0.47 -0.03 0.00 -0.00 0.00 0.00 29.99 30.04 2kk0 n HIS 3 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kk0 n HIS 4 N 1.20 2.57 -1.97 4.41 -0.00 -1.26 -3.78 115.22 116.39 2kk0 n HIS 4 Ca 0.02 -2.32 0.00 0.00 -0.00 0.00 0.00 57.72 55.42 2kk0 n HIS 4 Cb 0.51 -2.08 0.00 0.00 -0.00 0.00 0.00 29.99 28.43 2kk0 n HIS 4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk0 n HIS 5 N 6.77 0.00 -0.63 -1.40 -0.00 -1.26 -5.00 115.22 113.69 2kk0 n HIS 5 Ca 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 58.19 2kk0 n HIS 5 Cb 0.39 0.09 -0.02 0.00 -0.00 0.00 0.00 29.99 30.45 2kk0 n HIS 5 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kk0 n HIS 6 N 0.00 0.23 -1.01 4.41 -0.00 -1.25 -4.61 115.22 113.00 2kk0 n HIS 6 Ca 0.00 -1.20 -0.17 0.00 -0.00 0.00 0.00 57.72 56.35 2kk0 n HIS 6 Cb 0.60 -0.71 -0.13 0.00 -0.00 0.00 0.00 29.99 29.75 2kk0 n HIS 6 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kk0 n HIS 7 N 1.46 0.50 0.00 -1.40 -0.00 -1.26 -4.07 115.22 110.45 2kk0 n HIS 7 Ca 0.10 -1.76 0.00 0.00 -0.00 0.00 0.00 57.72 56.06 2kk0 n HIS 7 Cb 0.56 -1.72 0.00 0.00 -0.00 0.00 0.00 29.99 28.83 2kk0 n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk0 n HIS 8 N 2.78 0.00 -2.30 -1.40 -0.00 -1.26 -4.97 115.22 108.07 2kk0 n HIS 8 Ca 0.48 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.86 2kk0 n HIS 8 Cb 0.73 0.26 -0.03 0.00 -0.00 0.00 0.00 29.99 30.95 2kk0 n HIS 8 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kk0 s SER 9 N -3.23 5.83 0.08 0.26 0.01 -1.26 -4.68 113.70 110.71 2kk0 s SER 9 Ca 0.00 -1.89 -0.10 0.00 1.31 0.00 0.00 55.95 55.28 2kk0 s SER 9 Cb 0.00 -2.58 -0.24 0.00 0.21 0.00 0.00 66.02 63.41 2kk0 s SER 9 CO 0.00 -2.22 1.16 -0.74 0.41 0.00 0.00 173.24 171.85 2kk0 h HIS 10 N 9.01 0.79 -1.76 2.43 -0.00 -1.93 -3.46 115.15 120.22 2kk0 h HIS 10 Ca 0.30 -0.50 -0.52 0.00 -0.00 0.00 0.00 60.37 59.65 2kk0 h HIS 10 Cb 0.92 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 28.21 2kk0 h HIS 10 CO 1.30 1.35 -0.47 -1.64 -0.00 0.00 0.00 177.93 178.47 2kk0 s MET 11 N -2.96 2.50 -0.82 5.26 1.00 -1.26 -5.01 119.30 118.00 2kk0 s MET 11 Ca -0.07 -1.50 -0.28 0.00 0.00 0.00 0.00 55.69 53.84 2kk0 s MET 11 Cb 0.07 -2.29 -0.27 0.00 0.00 0.00 0.00 34.83 32.33 2kk0 s MET 11 CO 0.91 0.01 1.99 -0.35 0.00 0.00 0.00 175.02 177.58 2kk0 n PRO 12 N -1.32 0.08 0.00 2.03 -0.04 -1.26 -4.71 135.00 129.79 2kk0 n PRO 12 Ca -0.01 -1.54 0.01 0.00 -0.04 0.00 0.00 63.50 61.91 2kk0 n PRO 12 Cb 0.61 -3.60 0.32 0.00 -0.04 0.00 0.00 33.50 30.79 2kk0 n PRO 12 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kk0 h ASP 13 N 11.26 0.48 -3.41 3.54 1.82 -1.92 -3.36 116.42 124.83 2kk0 h ASP 13 Ca 0.07 -0.08 -0.72 0.00 -0.39 0.00 0.00 57.03 55.91 2kk0 h ASP 13 Cb 0.93 -0.12 -0.26 0.00 0.68 0.00 0.00 39.33 40.56 2kk0 h ASP 13 CO 1.26 0.52 -0.42 -1.00 -1.61 0.00 0.00 179.24 177.99 2kk0 s HIS 14 N -5.05 3.29 0.22 0.28 3.76 -1.26 -4.93 115.29 111.61 2kk0 s HIS 14 Ca -0.08 -1.25 0.35 0.00 -0.15 0.00 0.00 55.06 53.94 2kk0 s HIS 14 Cb 0.16 -2.98 1.54 0.00 1.11 0.00 0.00 32.58 32.41 2kk0 s HIS 14 CO 0.76 -0.81 2.05 0.78 -0.85 0.00 0.00 174.74 176.67 2kk0 h GLY 15 N 8.54 0.00 -6.32 -2.22 0.00 -1.83 -3.37 103.07 97.87 2kk0 h GLY 15 Ca -0.25 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.40 2kk0 h GLY 15 CO 0.79 0.00 2.77 2.09 0.00 0.00 0.00 176.54 182.19 2kk0 n ASP 16 N -3.14 3.55 -0.19 0.19 5.75 -1.26 -4.65 116.55 116.81 2kk0 n ASP 16 Ca -0.00 -2.80 0.15 0.00 -0.01 0.00 0.00 54.79 52.13 2kk0 n ASP 16 Cb 0.27 -1.52 0.75 0.00 -1.03 0.00 0.00 41.12 39.60 2kk0 n ASP 16 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2kk0 n TRP 17 N 6.93 0.01 -2.21 2.11 7.02 -1.26 -4.65 117.44 125.39 2kk0 n TRP 17 Ca 0.51 -0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.63 2kk0 n TRP 17 Cb 0.40 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.26 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 -0.53 2.78 -1.54 -0.99 -2.24 -1.26 -4.91 114.28 105.58 2kk0 n THR 18 Ca 0.21 -2.86 -0.37 0.00 -2.27 0.00 0.00 64.05 58.77 2kk0 n THR 18 Cb 0.20 -2.27 -0.05 0.00 -2.10 0.00 0.00 70.33 66.11 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 11.32 1.31 -3.59 4.78 9.36 -1.26 -1.77 117.16 137.30 2kk0 n TYR 19 Ca 0.47 0.16 -0.21 0.00 3.32 0.00 0.00 57.90 61.63 2kk0 n TYR 19 Cb 0.46 -2.60 0.07 0.00 -0.63 0.00 0.00 39.34 36.63 2kk0 n TYR 19 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2kk0 n GLU 20 N 8.93 -6.49 -3.85 2.98 4.71 -1.26 -5.02 120.64 120.64 2kk0 n GLU 20 Ca 0.41 0.76 -0.12 0.00 -0.01 0.00 0.00 57.16 58.21 2kk0 n GLU 20 Cb 0.47 -5.68 -0.10 0.00 -1.01 0.00 0.00 31.44 25.12 2kk0 n GLU 20 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2kk0 s GLU 21 N -5.90 0.48 0.36 3.49 2.56 -0.73 -5.15 118.70 113.81 2kk0 s GLU 21 Ca 0.24 -0.31 -0.28 0.00 0.00 0.00 0.00 54.97 54.61 2kk0 s GLU 21 Cb -0.11 0.20 -0.11 0.00 2.00 0.00 0.00 34.13 36.12 2kk0 s GLU 21 CO 0.76 -0.11 1.41 -1.14 -0.56 0.00 0.00 175.26 175.62 2kk0 s GLN 22 N -1.23 4.21 -0.94 4.30 -0.44 -1.26 -4.76 119.66 119.53 2kk0 s GLN 22 Ca -0.13 2.43 -0.24 0.00 -2.50 0.00 0.00 55.36 54.91 2kk0 s GLN 22 Cb -0.07 -3.01 -0.02 0.00 -1.64 0.00 0.00 33.01 28.27 2kk0 s GLN 22 CO 0.02 -0.39 1.82 0.12 0.50 0.00 0.00 175.29 177.36 2kk0 s PHE 23 N -1.12 2.00 0.08 1.67 5.36 -1.26 -4.79 117.98 119.92 2kk0 s PHE 23 Ca 0.51 0.24 0.30 0.00 -0.96 0.00 0.00 56.93 57.03 2kk0 s PHE 23 Cb -0.44 -4.21 1.17 0.00 -0.34 0.00 0.00 43.02 39.20 2kk0 s PHE 23 CO 0.59 -1.78 1.92 -0.22 -1.46 0.00 0.00 175.22 174.26 2kk0 h LYS 24 N 10.85 0.00 -0.74 10.12 1.63 -2.01 -3.34 116.57 133.08 2kk0 h LYS 24 Ca 0.13 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 60.08 2kk0 h LYS 24 Cb 1.00 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.53 2kk0 h LYS 24 CO 1.27 0.07 0.25 0.37 -3.45 0.00 0.00 179.45 177.95 2kk0 h GLN 25 N 0.00 0.35 -0.29 1.90 5.75 -1.95 -0.34 115.11 120.52 2kk0 h GLN 25 Ca -0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 2kk0 h GLN 25 Cb 0.61 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 2kk0 h GLN 25 CO 0.01 0.23 0.06 -0.07 -2.65 0.00 0.00 178.83 176.41 2kk0 h LEU 26 N 0.36 0.38 -0.17 -2.39 3.38 -2.00 -2.81 115.31 112.07 2kk0 h LEU 26 Ca 0.41 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 2kk0 h LEU 26 Cb 0.66 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kk0 h LEU 26 CO -0.45 0.40 -0.20 1.88 0.09 0.00 0.00 178.44 180.16 2kk0 h TYR 27 N 0.42 0.53 -0.89 1.13 -1.99 -1.31 -3.29 116.97 111.56 2kk0 h TYR 27 Ca 0.10 -0.17 -0.50 0.00 2.00 0.00 0.00 58.73 60.16 2kk0 h TYR 27 Cb 0.18 -0.11 -0.27 0.00 2.00 0.00 0.00 36.73 38.53 2kk0 h TYR 27 CO 0.01 0.83 0.64 0.39 -0.00 0.00 0.00 178.16 180.02 2kk0 n GLU 28 N -4.47 2.22 0.20 4.88 1.02 -1.02 -4.30 120.64 119.17 2kk0 n GLU 28 Ca -0.06 -2.76 -0.15 0.00 -0.02 0.00 0.00 57.16 54.18 2kk0 n GLU 28 Cb 0.40 -2.08 -0.08 0.00 -0.02 0.00 0.00 31.44 29.66 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 1.29 -0.38 0.00 -4.62 3.38 -1.57 -3.41 115.31 110.00 2kk0 h LEU 29 Ca 0.56 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.45 2kk0 h LEU 29 Cb 2.19 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 43.03 2kk0 h LEU 29 CO 1.11 -0.22 -1.19 -0.67 0.09 0.00 0.00 178.44 177.56 2kk0 n ASP 30 N -5.26 3.78 0.00 -0.43 -0.08 -1.26 -5.06 116.55 108.24 2kk0 n ASP 30 Ca -0.10 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2kk0 n ASP 30 Cb 0.22 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.67 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kk0 n GLY 31 N 3.30 0.78 3.71 0.27 0.00 -1.26 -5.11 105.19 106.88 2kk0 n GLY 31 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.07 6.40 0.57 1.61 1.11 -1.26 -4.88 116.67 120.14 2kk0 s ASP 32 Ca 0.00 2.81 0.26 0.00 0.18 0.00 0.00 52.55 55.80 2kk0 s ASP 32 Cb 0.00 -2.59 1.57 0.00 1.07 0.00 0.00 42.92 42.97 2kk0 s ASP 32 CO 0.00 -0.98 2.13 1.55 1.18 0.00 0.00 175.17 179.05 2kk0 h PRO 33 N 7.53 0.00 0.00 8.23 0.13 -1.99 -0.79 132.00 145.10 2kk0 h PRO 33 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kk0 h PRO 33 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kk0 h PRO 33 CO 0.95 0.00 -0.63 0.87 -0.23 0.00 0.00 178.00 178.97 2kk0 h LYS 34 N 0.00 0.00 -0.19 0.86 1.79 -1.99 -3.32 116.57 113.73 2kk0 h LYS 34 Ca 0.07 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2kk0 h LYS 34 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2kk0 h LYS 34 CO -0.00 0.00 -0.03 -0.09 -1.08 0.00 0.00 179.45 178.25 2kk0 h ARG 35 N 0.00 0.35 -0.35 3.15 2.43 -1.49 0.63 114.38 119.10 2kk0 h ARG 35 Ca 0.00 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 2kk0 h ARG 35 Cb 0.76 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2kk0 h ARG 35 CO 0.00 0.60 -0.27 1.57 -1.51 0.00 0.00 179.97 180.36 2kk0 h LYS 36 N 0.07 0.71 -0.74 0.20 -0.00 -1.72 -2.72 116.57 112.37 2kk0 h LYS 36 Ca 0.05 -0.30 -0.06 0.00 -0.00 0.00 0.00 60.65 60.34 2kk0 h LYS 36 Cb 0.46 -0.03 -0.03 0.00 -0.00 0.00 0.00 32.23 32.64 2kk0 h LYS 36 CO 0.02 0.90 0.22 0.93 -0.00 0.00 0.00 179.45 181.52 2kk0 h GLU 37 N 0.61 1.16 -0.23 0.07 5.08 -1.62 0.06 114.58 119.70 2kk0 h GLU 37 Ca 0.08 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2kk0 h GLU 37 Cb 0.77 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2kk0 h GLU 37 CO 0.06 0.99 0.08 0.35 -1.00 0.00 0.00 179.01 179.49 2kk0 h PHE 38 N 1.10 0.15 -0.45 4.33 3.04 -0.77 0.19 116.94 124.53 2kk0 h PHE 38 Ca 0.24 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 2kk0 h PHE 38 Cb 0.32 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 2kk0 h PHE 38 CO 0.03 0.07 0.21 -0.07 -2.02 0.00 0.00 178.31 176.53 2kk0 h LEU 39 N 0.19 0.58 -0.08 0.59 3.38 -1.22 0.24 115.31 118.99 2kk0 h LEU 39 Ca 0.10 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kk0 h LEU 39 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2kk0 h LEU 39 CO -0.10 0.55 -0.08 -0.78 0.09 0.00 0.00 178.44 178.12 2kk0 h ASP 40 N 0.58 -0.23 -0.64 -0.43 1.82 -0.80 0.32 116.42 117.03 2kk0 h ASP 40 Ca 0.15 0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.78 2kk0 h ASP 40 Cb 0.12 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 2kk0 h ASP 40 CO -0.02 -0.11 0.17 -0.78 -1.61 0.00 0.00 179.24 176.89 2kk0 h ASP 41 N -0.09 0.99 0.71 2.28 3.58 -0.79 -0.34 116.42 122.75 2kk0 h ASP 41 Ca 0.06 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 2kk0 h ASP 41 Cb 0.18 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 2kk0 h ASP 41 CO -0.14 0.95 -0.41 0.25 -2.88 0.00 0.00 179.24 177.01 2kk0 h LEU 42 N 1.00 -1.01 -0.77 2.28 5.85 -0.18 0.05 115.31 122.53 2kk0 h LEU 42 Ca 0.21 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.99 2kk0 h LEU 42 Cb 0.34 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2kk0 h LEU 42 CO -0.00 -0.65 0.51 -0.26 -0.34 0.00 0.00 178.44 177.70 2kk0 h PHE 43 N -1.04 0.97 -0.05 1.25 0.04 -0.87 -1.54 116.94 115.70 2kk0 h PHE 43 Ca -0.09 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.73 2kk0 h PHE 43 Cb 0.83 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 2kk0 h PHE 43 CO -0.08 0.61 -0.11 1.03 -0.60 0.00 0.00 178.31 179.16 2kk0 h SER 44 N 1.04 -0.33 0.32 2.17 0.87 -1.00 0.53 113.55 117.15 2kk0 h SER 44 Ca 0.28 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 2kk0 h SER 44 Cb -0.12 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2kk0 h SER 44 CO -0.06 -0.15 -0.21 0.15 -0.53 0.00 0.00 176.83 176.03 2kk0 h PHE 45 N -0.16 -0.54 -0.27 2.24 3.57 -0.56 -1.32 116.94 119.90 2kk0 h PHE 45 Ca 0.06 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 2kk0 h PHE 45 Cb 0.24 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2kk0 h PHE 45 CO -0.20 -0.32 -0.24 0.00 -2.23 0.00 0.00 178.31 175.32 2kk0 h MET 46 N -0.51 0.52 -0.41 1.11 -0.00 -1.28 -2.80 114.93 111.57 2kk0 h MET 46 Ca -0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 2kk0 h MET 46 Cb 0.43 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.98 2kk0 h MET 46 CO 0.03 0.73 0.27 0.37 -0.00 0.00 0.00 176.91 178.30 2kk0 h GLN 47 N 0.46 0.54 -0.82 -0.10 4.15 -0.61 0.44 115.11 119.17 2kk0 h GLN 47 Ca 0.07 -0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.55 2kk0 h GLN 47 Cb 0.67 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.17 2kk0 h GLN 47 CO 0.05 0.36 0.46 0.87 -1.93 0.00 0.00 178.83 178.65 2kk0 h LYS 48 N 0.55 0.76 -0.11 1.69 1.57 -0.99 -1.54 116.57 118.50 2kk0 h LYS 48 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2kk0 h LYS 48 Cb -0.05 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.09 2kk0 h LYS 48 CO -0.03 0.50 0.00 2.89 -0.57 0.00 0.00 179.45 182.24 2kk0 n ARG 49 N -4.75 1.46 0.00 3.15 1.85 -1.05 -4.89 116.66 112.44 2kk0 n ARG 49 Ca 0.13 -0.70 0.00 0.00 -1.00 0.00 0.00 57.85 56.29 2kk0 n ARG 49 Cb 0.28 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.33 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 1.00 1.51 3.16 2.89 0.00 -0.58 -5.08 105.19 108.09 2kk0 n GLY 50 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.93 0.37 2.61 -1.32 0.09 -4.99 115.64 109.48 2kk0 s THR 51 Ca 0.00 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.40 2kk0 s THR 51 Cb 0.00 -0.60 -0.06 0.00 -1.51 0.00 0.00 72.50 70.33 2kk0 s THR 51 CO 0.00 0.00 0.69 -2.16 -2.21 0.00 0.00 174.62 170.94 2kk0 s PRO 52 N 2.50 3.69 -0.48 7.08 0.04 -1.26 -2.58 135.00 143.99 2kk0 s PRO 52 Ca 0.13 0.25 -0.18 0.00 0.04 0.00 0.00 61.00 61.25 2kk0 s PRO 52 Cb -0.07 -2.48 0.06 0.00 0.04 0.00 0.00 34.50 32.04 2kk0 s PRO 52 CO -0.19 0.03 0.52 0.08 0.04 0.00 0.00 177.00 177.48 2kk0 s VAL 53 N -2.32 5.03 0.00 -0.36 1.01 -1.26 -4.92 120.40 117.58 2kk0 s VAL 53 Ca 0.48 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2kk0 s VAL 53 Cb -0.10 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2kk0 s VAL 53 CO 0.33 -0.67 0.00 0.59 0.00 0.00 0.00 175.10 175.35 2kk0 n ASN 54 N 5.75 0.00 -4.61 3.32 5.03 -1.26 -4.97 115.26 118.52 2kk0 n ASN 54 Ca -0.09 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 54.98 2kk0 n ASN 54 Cb 0.45 -0.48 -0.09 0.00 -1.02 0.00 0.00 39.78 38.64 2kk0 n ASN 54 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2kk0 s ARG 55 N -0.98 4.02 0.00 3.52 0.52 -1.26 -4.98 118.95 119.79 2kk0 s ARG 55 Ca 0.00 -0.02 -0.14 0.00 -0.52 0.00 0.00 55.73 55.05 2kk0 s ARG 55 Cb 0.00 -3.64 -0.06 0.00 0.52 0.00 0.00 34.95 31.77 2kk0 s ARG 55 CO 0.00 -0.22 0.40 0.42 0.02 0.00 0.00 175.30 175.92 2kk0 s ILE 56 N 1.89 5.04 0.57 1.52 1.01 -1.26 -5.07 121.20 124.90 2kk0 s ILE 56 Ca 0.14 0.81 -0.21 0.00 0.00 0.00 0.00 60.65 61.39 2kk0 s ILE 56 Cb -0.16 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2kk0 s ILE 56 CO 0.10 0.57 1.33 -2.84 0.00 0.00 0.00 174.94 174.09 2kk0 s PRO 57 N -1.11 3.02 -0.13 2.79 0.02 -1.26 -4.92 135.00 133.40 2kk0 s PRO 57 Ca 0.24 2.16 -0.00 0.00 0.02 0.00 0.00 61.00 63.42 2kk0 s PRO 57 Cb -0.16 -2.15 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 2kk0 s PRO 57 CO 0.13 -1.26 -0.14 0.42 -0.33 0.00 0.00 177.00 175.83 2kk0 s ILE 58 N -1.35 2.97 -0.02 2.83 -1.09 -1.26 -2.02 121.20 121.27 2kk0 s ILE 58 Ca 0.74 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 2kk0 s ILE 58 Cb -0.39 -2.25 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 2kk0 s ILE 58 CO 0.45 0.52 -0.05 -0.32 -1.23 0.00 0.00 174.94 174.31 2kk0 s MET 59 N 0.44 0.54 -1.55 2.79 -2.45 0.12 -4.81 119.30 114.37 2kk0 s MET 59 Ca -0.10 -0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.20 2kk0 s MET 59 Cb -0.16 -0.55 0.00 0.00 1.25 0.00 0.00 34.83 35.37 2kk0 s MET 59 CO 0.05 0.03 0.00 0.00 1.05 0.00 0.00 175.02 176.15 2kk0 n ALA 60 N 3.39 -0.65 -1.19 4.11 0.00 -1.26 -1.05 120.51 123.86 2kk0 n ALA 60 Ca -0.18 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 2kk0 n ALA 60 Cb 0.55 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.90 -0.92 -4.57 0.00 4.76 -1.26 -5.01 118.16 108.27 2kk0 n LYS 61 Ca -0.21 0.64 -0.27 0.00 -2.87 0.00 0.00 58.31 55.60 2kk0 n LYS 61 Cb 0.66 -4.56 -0.09 0.00 -1.84 0.00 0.00 35.03 29.20 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 -2.19 1.94 0.41 1.97 -2.07 -0.22 -4.66 119.66 114.84 2kk0 s GLN 62 Ca 0.00 -2.18 -0.23 0.00 -1.82 0.00 0.00 55.36 51.13 2kk0 s GLN 62 Cb 0.00 -0.94 -0.09 0.00 -1.09 0.00 0.00 33.01 30.89 2kk0 s GLN 62 CO 0.00 -0.37 1.01 0.54 -1.32 0.00 0.00 175.29 175.15 2kk0 s VAL 63 N -3.12 3.93 -0.59 3.63 0.11 -1.26 -0.70 120.40 122.40 2kk0 s VAL 63 Ca 0.23 1.39 -0.28 0.00 -2.93 0.00 0.00 61.98 60.39 2kk0 s VAL 63 Cb 0.04 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2kk0 s VAL 63 CO 0.12 -0.08 1.39 -0.22 -3.33 0.00 0.00 175.10 172.98 2kk0 s LEU 64 N -2.81 3.38 -0.94 2.54 2.96 -0.86 -4.74 118.68 118.20 2kk0 s LEU 64 Ca 0.59 0.18 -0.26 0.00 -0.22 0.00 0.00 54.13 54.42 2kk0 s LEU 64 Cb -0.18 -3.00 -0.19 0.00 0.50 0.00 0.00 46.19 43.32 2kk0 s LEU 64 CO 0.23 -1.72 2.27 -1.81 -1.32 0.00 0.00 176.35 174.00 2kk0 s ASP 65 N 4.28 3.57 0.25 3.68 1.11 -1.26 -4.78 116.67 123.53 2kk0 s ASP 65 Ca 0.50 -0.46 -0.03 0.00 0.18 0.00 0.00 52.55 52.73 2kk0 s ASP 65 Cb -0.10 -2.58 0.47 0.00 1.07 0.00 0.00 42.92 41.78 2kk0 s ASP 65 CO 0.24 -4.43 1.76 -0.07 1.18 0.00 0.00 175.17 173.85 2kk0 h LEU 66 N 22.68 0.45 -0.07 1.23 3.38 -1.96 0.15 115.31 141.16 2kk0 h LEU 66 Ca 0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kk0 h LEU 66 Cb 1.00 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2kk0 h LEU 66 CO 1.00 0.20 -0.05 0.15 0.09 0.00 0.00 178.44 179.83 2kk0 h PHE 67 N 0.57 -0.11 -0.15 1.13 3.04 -1.93 -1.71 116.94 117.78 2kk0 h PHE 67 Ca 0.42 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 62.22 2kk0 h PHE 67 Cb 0.58 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 2kk0 h PHE 67 CO -0.12 -0.07 -0.60 0.52 -2.02 0.00 0.00 178.31 176.02 2kk0 h MET 68 N -0.05 0.51 -0.53 1.11 0.00 -1.79 -2.56 114.93 111.63 2kk0 h MET 68 Ca 0.05 -0.34 0.04 0.00 0.00 0.00 0.00 59.70 59.44 2kk0 h MET 68 Cb 0.12 0.05 -0.04 0.00 0.00 0.00 0.00 31.60 31.72 2kk0 h MET 68 CO -0.10 0.96 0.28 1.25 0.00 0.00 0.00 176.91 179.29 2kk0 h LEU 69 N 0.38 0.42 -0.23 1.22 5.85 -0.57 -0.12 115.31 122.25 2kk0 h LEU 69 Ca -0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2kk0 h LEU 69 Cb 1.14 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2kk0 h LEU 69 CO 0.11 0.29 0.11 0.22 -0.34 0.00 0.00 178.44 178.83 2kk0 h TYR 70 N 0.54 0.20 -0.26 1.25 3.20 -1.20 -1.69 116.97 119.02 2kk0 h TYR 70 Ca 0.23 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.16 2kk0 h TYR 70 Cb 0.12 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2kk0 h TYR 70 CO -0.09 0.11 -0.06 0.28 -1.64 0.00 0.00 178.16 176.76 2kk0 h VAL 71 N 0.24 0.74 -0.23 1.81 2.07 -1.01 -1.20 116.25 118.68 2kk0 h VAL 71 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2kk0 h VAL 71 Cb 0.03 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2kk0 h VAL 71 CO -0.07 0.00 0.12 -0.07 0.02 0.00 0.00 177.57 177.57 2kk0 h LEU 72 N -0.00 0.28 -0.36 2.57 -0.00 -0.85 -1.96 115.31 115.00 2kk0 h LEU 72 Ca 0.12 -0.08 -0.10 0.00 -0.00 0.00 0.00 57.88 57.82 2kk0 h LEU 72 Cb 0.19 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 2kk0 h LEU 72 CO -0.26 0.29 -0.15 0.58 -0.00 0.00 0.00 178.44 178.89 2kk0 h VAL 73 N 0.26 1.28 -0.10 1.22 2.07 -1.19 -3.10 116.25 116.68 2kk0 h VAL 73 Ca 0.08 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 2kk0 h VAL 73 Cb 0.07 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2kk0 h VAL 73 CO -0.01 0.41 -0.42 0.71 0.02 0.00 0.00 177.57 178.28 2kk0 h THR 74 N 0.52 1.31 -0.00 2.57 1.35 -1.20 -2.25 112.91 115.21 2kk0 h THR 74 Ca 0.08 -1.55 -0.10 0.00 -0.55 0.00 0.00 66.41 64.30 2kk0 h THR 74 Cb 0.69 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 2kk0 h THR 74 CO 0.05 0.46 -0.47 1.05 -0.25 0.00 0.00 175.52 176.36 2kk0 h GLU 75 N 0.19 0.00 0.00 4.72 4.11 -1.35 -2.95 114.58 119.31 2kk0 h GLU 75 Ca 0.02 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2kk0 h GLU 75 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2kk0 h GLU 75 CO 0.07 0.47 -0.07 0.87 0.07 0.00 0.00 179.01 180.42 2kk0 h LYS 76 N 0.00 0.00 0.00 1.06 1.79 -1.43 -3.47 116.57 114.52 2kk0 h LYS 76 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kk0 h LYS 76 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2kk0 h LYS 76 CO 0.06 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 178.91 2kk0 n GLY 77 N 0.75 0.94 0.00 3.86 0.00 -1.11 -4.86 105.19 104.77 2kk0 n GLY 77 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 3.17 0.41 -0.02 0.00 -0.87 -4.76 105.19 103.13 2kk0 n GLY 78 Ca 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.17 -1.00 0.99 5.85 -1.93 -1.53 115.31 116.53 2kk0 h LEU 79 Ca 0.00 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2kk0 h LEU 79 Cb 0.00 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2kk0 h LEU 79 CO 0.00 -0.50 0.20 0.58 -0.34 0.00 0.00 178.44 178.38 2kk0 h VAL 80 N -0.70 1.23 -0.10 1.05 2.07 -1.93 -1.92 116.25 115.96 2kk0 h VAL 80 Ca 0.00 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.78 2kk0 h VAL 80 Cb 0.69 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2kk0 h VAL 80 CO -0.18 0.30 -0.14 -0.08 0.02 0.00 0.00 177.57 177.48 2kk0 h GLU 81 N 0.90 -0.18 -0.94 1.57 4.57 -1.78 -1.09 114.58 117.64 2kk0 h GLU 81 Ca 0.21 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.45 2kk0 h GLU 81 Cb 0.24 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.81 2kk0 h GLU 81 CO -0.01 -0.12 0.60 0.28 -1.18 0.00 0.00 179.01 178.57 2kk0 h VAL 82 N -0.19 1.09 -0.54 0.32 2.07 -0.88 0.81 116.25 118.93 2kk0 h VAL 82 Ca 0.08 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2kk0 h VAL 82 Cb 0.31 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2kk0 h VAL 82 CO -0.21 0.20 0.21 0.40 0.02 0.00 0.00 177.57 178.19 2kk0 h ILE 83 N 1.11 1.22 -0.29 4.57 2.04 -0.83 0.19 117.51 125.52 2kk0 h ILE 83 Ca 0.40 -0.70 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 2kk0 h ILE 83 Cb 0.13 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2kk0 h ILE 83 CO -0.16 0.27 -0.35 0.78 0.00 0.00 0.00 178.15 178.68 2kk0 h ASN 84 N 0.74 0.81 0.95 1.72 2.35 -0.82 -3.07 115.58 118.27 2kk0 h ASN 84 Ca 0.18 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2kk0 h ASN 84 Cb 0.21 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2kk0 h ASN 84 CO -0.01 1.14 0.00 0.11 -1.65 0.00 0.00 177.43 177.02 2kk0 h LYS 85 N 0.50 0.00 -0.18 0.81 1.79 -0.70 -3.46 116.57 115.32 2kk0 h LYS 85 Ca 0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 2kk0 h LYS 85 Cb 0.94 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 2kk0 h LYS 85 CO 0.08 0.00 -0.07 1.63 -1.08 0.00 0.00 179.45 180.01 2kk0 n LYS 86 N -2.53 -1.83 -0.44 3.15 4.76 0.64 -4.82 118.16 117.08 2kk0 n LYS 86 Ca 0.02 0.62 -0.07 0.00 -2.87 0.00 0.00 58.31 56.01 2kk0 n LYS 86 Cb 0.29 -5.05 0.04 0.00 -1.84 0.00 0.00 35.03 28.47 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 -0.43 4.56 0.29 -0.35 -0.00 -1.22 -4.37 117.00 115.47 2kk0 n LEU 87 Ca -0.04 -2.30 0.17 0.00 -0.00 0.00 0.00 56.01 53.84 2kk0 n LEU 87 Cb 0.52 -0.73 0.85 0.00 -0.00 0.00 0.00 43.42 44.06 2kk0 n LEU 87 CO 0.06 0.78 1.14 -0.50 -0.00 0.00 0.00 177.39 178.87 2kk0 h TRP 88 N 0.54 0.00 -0.62 1.47 4.06 -1.88 0.29 115.95 119.82 2kk0 h TRP 88 Ca 0.17 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.18 2kk0 h TRP 88 Cb 1.36 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.47 2kk0 h TRP 88 CO 0.47 0.00 0.33 0.00 -3.56 0.00 0.00 178.44 175.68 2kk0 h ARG 89 N 0.00 0.59 -0.75 0.49 3.08 -1.98 0.81 114.38 116.62 2kk0 h ARG 89 Ca 0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2kk0 h ARG 89 Cb 0.66 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2kk0 h ARG 89 CO -0.00 0.39 0.39 0.93 -1.07 0.00 0.00 179.97 180.61 2kk0 h GLU 90 N 0.61 1.06 0.32 0.04 4.39 -0.79 0.17 114.58 120.38 2kk0 h GLU 90 Ca 0.28 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2kk0 h GLU 90 Cb 0.19 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2kk0 h GLU 90 CO -0.19 0.81 -0.15 0.82 -1.16 0.00 0.00 179.01 179.14 2kk0 h ILE 91 N 1.04 0.70 -0.70 3.13 1.08 -1.36 0.46 117.51 121.86 2kk0 h ILE 91 Ca 0.26 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2kk0 h ILE 91 Cb 0.07 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 2kk0 h ILE 91 CO -0.04 0.09 0.44 0.74 -0.69 0.00 0.00 178.15 178.70 2kk0 h THR 92 N -0.68 1.19 0.00 -0.27 2.02 -0.84 -1.36 112.91 112.96 2kk0 h THR 92 Ca -0.04 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 2kk0 h THR 92 Cb 0.48 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2kk0 h THR 92 CO 0.07 0.19 -0.33 0.50 0.37 0.00 0.00 175.52 176.32 2kk0 h LYS 93 N 0.96 0.00 0.00 6.66 1.63 -0.54 -2.31 116.57 122.97 2kk0 h LYS 93 Ca 0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 2kk0 h LYS 93 Cb -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 2kk0 h LYS 93 CO -0.05 0.33 0.00 0.78 -3.45 0.00 0.00 179.45 177.06 2kk0 h GLY 94 N 1.15 0.00 -1.64 5.01 0.00 0.28 0.18 103.07 108.06 2kk0 h GLY 94 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kk0 h GLY 94 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 2kk0 n LEU 95 N -3.01 2.64 -1.46 3.11 4.77 -0.90 -4.93 117.00 117.23 2kk0 n LEU 95 Ca -0.01 -1.12 -0.15 0.00 -0.03 0.00 0.00 56.01 54.69 2kk0 n LEU 95 Cb 0.16 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2kk0 n LEU 95 CO 0.22 0.56 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.47 2kk0 n ASN 96 N 0.97 -4.77 -4.87 -1.43 2.85 0.63 -5.01 115.26 103.63 2kk0 n ASN 96 Ca 0.18 0.20 -0.30 0.00 -0.11 0.00 0.00 54.58 54.54 2kk0 n ASN 96 Cb 0.48 -3.75 -0.03 0.00 1.24 0.00 0.00 39.78 37.72 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 -3.96 3.78 -0.37 1.20 1.43 -1.04 -5.01 118.68 114.72 2kk0 s LEU 97 Ca 0.00 1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 54.00 2kk0 s LEU 97 Cb 0.00 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 42.14 2kk0 s LEU 97 CO 0.00 -0.44 1.36 -2.16 0.23 0.00 0.00 176.35 175.34 2kk0 s PRO 98 N -3.94 3.71 0.00 1.29 0.04 -1.26 -4.41 135.00 130.43 2kk0 s PRO 98 Ca 0.52 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.63 2kk0 s PRO 98 Cb -0.10 -3.97 0.20 0.00 0.04 0.00 0.00 34.50 30.66 2kk0 s PRO 98 CO 0.32 -1.40 0.60 -2.37 0.04 0.00 0.00 177.00 174.19 2kk0 n THR 99 N 6.75 0.00 1.79 1.26 5.66 -1.26 -2.49 114.28 125.98 2kk0 n THR 99 Ca 0.16 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.31 2kk0 n THR 99 Cb 0.47 -0.44 0.87 0.00 -1.55 0.00 0.00 70.33 69.69 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 -0.63 0.00 -4.72 1.09 2.88 -1.26 -4.85 113.62 106.13 2kk0 n SER 100 Ca 0.02 -0.72 -0.42 0.00 -1.33 0.00 0.00 58.87 56.43 2kk0 n SER 100 Cb 0.01 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 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 -2.17 2.70 0.00 2.46 1.01 -1.04 -4.96 121.20 119.20 2kk0 s ILE 101 Ca 0.41 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.57 2kk0 s ILE 101 Cb 0.21 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2kk0 s ILE 101 CO 0.39 0.04 0.88 0.41 0.00 0.00 0.00 174.94 176.66 2kk0 n THR 102 N 3.87 0.00 -1.87 2.92 -1.04 -1.26 -3.32 114.28 113.57 2kk0 n THR 102 Ca 0.13 1.38 -0.28 0.00 -2.04 0.00 0.00 64.05 63.24 2kk0 n THR 102 Cb 0.39 -2.03 0.04 0.00 -1.82 0.00 0.00 70.33 66.91 2kk0 n THR 102 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kk0 n SER 103 N -2.27 5.81 -0.13 8.00 7.64 -1.26 -4.78 113.62 126.62 2kk0 n SER 103 Ca 0.00 -3.76 -0.04 0.00 1.01 0.00 0.00 58.87 56.07 2kk0 n SER 103 Cb 0.00 -0.57 0.04 0.00 -1.01 0.00 0.00 64.21 62.67 2kk0 n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk0 h ALA 104 N 2.22 0.49 -0.74 -0.43 0.00 -1.94 -1.35 119.26 117.50 2kk0 h ALA 104 Ca 0.44 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.47 2kk0 h ALA 104 Cb 1.20 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2kk0 h ALA 104 CO 1.03 -0.28 0.49 0.00 0.00 0.00 0.00 179.25 180.49 2kk0 h ALA 105 N 1.31 1.62 -0.28 0.00 0.00 -1.87 -1.19 119.26 118.85 2kk0 h ALA 105 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2kk0 h ALA 105 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kk0 h ALA 105 CO -0.24 0.29 -0.13 0.35 0.00 0.00 0.00 179.25 179.51 2kk0 h PHE 106 N 0.85 0.67 0.23 0.00 3.57 -1.68 -2.45 116.94 118.12 2kk0 h PHE 106 Ca 0.31 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2kk0 h PHE 106 Cb 0.14 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2kk0 h PHE 106 CO -0.00 0.83 -0.11 1.15 -2.23 0.00 0.00 178.31 177.95 2kk0 h THR 107 N 0.32 0.83 -0.89 4.41 2.02 -0.79 -3.04 112.91 115.76 2kk0 h THR 107 Ca 0.06 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 66.98 2kk0 h THR 107 Cb 0.65 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 2kk0 h THR 107 CO 0.04 0.07 0.58 -0.07 0.37 0.00 0.00 175.52 176.51 2kk0 h LEU 108 N -0.45 0.96 -0.66 2.58 3.38 -1.29 -0.65 115.31 119.17 2kk0 h LEU 108 Ca -0.03 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2kk0 h LEU 108 Cb 0.34 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2kk0 h LEU 108 CO 0.05 0.65 0.39 -0.09 0.09 0.00 0.00 178.44 179.53 2kk0 h ARG 109 N 1.12 0.71 -0.02 1.13 2.43 -1.43 -0.27 114.38 118.05 2kk0 h ARG 109 Ca 0.36 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 2kk0 h ARG 109 Cb 0.02 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2kk0 h ARG 109 CO -0.12 0.47 -0.24 1.15 -1.51 0.00 0.00 179.97 179.72 2kk0 h THR 110 N 0.73 1.51 -0.36 0.20 2.02 -1.34 -3.10 112.91 112.57 2kk0 h THR 110 Ca 0.28 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 2kk0 h THR 110 Cb 0.12 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 2kk0 h THR 110 CO -0.15 0.50 0.19 1.56 0.37 0.00 0.00 175.52 177.99 2kk0 h GLN 111 N -0.42 0.52 -0.81 6.66 1.08 -1.01 -2.07 115.11 119.05 2kk0 h GLN 111 Ca -0.02 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.18 2kk0 h GLN 111 Cb 0.95 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 28.22 2kk0 h GLN 111 CO 0.05 0.45 0.48 -0.92 -0.95 0.00 0.00 178.83 177.94 2kk0 h TYR 112 N 0.45 0.89 -0.65 2.96 5.03 -1.18 -1.74 116.97 122.72 2kk0 h TYR 112 Ca 0.13 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.51 2kk0 h TYR 112 Cb 0.09 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.06 2kk0 h TYR 112 CO -0.02 0.42 0.43 1.98 -1.32 0.00 0.00 178.16 179.65 2kk0 h MET 113 N 0.86 0.69 0.06 1.82 4.05 -1.31 0.28 114.93 121.38 2kk0 h MET 113 Ca 0.37 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.74 2kk0 h MET 113 Cb 0.23 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2kk0 h MET 113 CO -0.20 0.46 -0.03 0.87 0.23 0.00 0.00 176.91 178.24 2kk0 h LYS 114 N 0.71 -0.08 0.00 0.39 1.57 -0.68 -3.37 116.57 115.10 2kk0 h LYS 114 Ca 0.27 0.01 -0.40 0.00 -1.87 0.00 0.00 60.65 58.65 2kk0 h LYS 114 Cb 0.18 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2kk0 h LYS 114 CO -0.08 0.47 -2.33 0.66 -0.57 0.00 0.00 179.45 177.60 2kk0 n TYR 115 N -4.84 0.00 0.05 -1.35 4.01 -0.95 -4.72 117.16 109.36 2kk0 n TYR 115 Ca -0.08 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.73 2kk0 n TYR 115 Cb 0.29 -0.89 -0.07 0.00 -0.31 0.00 0.00 39.34 38.37 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 -4.17 0.63 0.13 7.72 4.77 -0.25 -4.39 117.00 121.45 2kk0 n LEU 116 Ca -0.48 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.62 2kk0 n LEU 116 Cb 0.83 0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.86 2kk0 n LEU 116 CO 0.04 -0.02 0.81 0.22 -1.33 0.00 0.00 177.39 177.10 2kk0 h TYR 117 N 0.00 -0.24 -0.57 -1.77 3.20 -0.69 -0.64 116.97 116.26 2kk0 h TYR 117 Ca -0.07 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.87 2kk0 h TYR 117 Cb 1.23 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.54 2kk0 h TYR 117 CO 0.00 -0.14 0.38 -1.00 -1.64 0.00 0.00 178.16 175.76 2kk0 h PRO 118 N -0.26 0.43 -0.09 1.82 0.13 -1.79 -1.57 132.00 130.68 2kk0 h PRO 118 Ca -0.03 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.85 2kk0 h PRO 118 Cb 0.20 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.24 2kk0 h PRO 118 CO 0.04 0.29 -0.86 -0.92 -0.23 0.00 0.00 178.00 176.31 2kk0 h TYR 119 N 0.44 0.96 0.23 1.56 3.20 -1.71 -2.47 116.97 119.18 2kk0 h TYR 119 Ca 0.26 -0.46 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 2kk0 h TYR 119 Cb 0.43 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2kk0 h TYR 119 CO -0.00 1.28 -0.18 1.49 -1.64 0.00 0.00 178.16 179.12 2kk0 h GLU 120 N 0.44 -0.40 -0.70 1.82 4.22 -0.29 -0.72 114.58 118.95 2kk0 h GLU 120 Ca -0.07 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.41 2kk0 h GLU 120 Cb 1.49 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.80 2kk0 h GLU 120 CO 0.17 -0.27 0.46 0.00 -2.18 0.00 0.00 179.01 177.20 2kk0 h GLU 122 N 0.91 -0.44 0.00 0.00 4.57 -1.19 -2.93 114.58 115.51 2kk0 h GLU 122 Ca 0.27 0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.30 2kk0 h GLU 122 Cb -0.03 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2kk0 h GLU 122 CO -0.07 -0.29 -0.83 0.87 -1.18 0.00 0.00 179.01 177.52 2kk0 h LYS 123 N -0.82 0.00 0.00 1.92 1.79 -1.16 -3.41 116.57 114.89 2kk0 h LYS 123 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2kk0 h LYS 123 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2kk0 h LYS 123 CO 0.08 0.83 -0.26 0.54 -1.08 0.00 0.00 179.45 179.55 2kk0 n ARG 124 N -3.54 0.14 -1.92 3.15 5.12 0.36 -5.07 116.66 114.90 2kk0 n ARG 124 Ca -0.00 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2kk0 n ARG 124 Cb 0.80 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 2kk0 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kk0 n GLY 125 N 2.67 0.88 0.11 -0.13 0.00 0.78 -4.96 105.19 104.55 2kk0 n GLY 125 Ca -0.04 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.46 -8.79 0.99 3.38 -1.86 -3.47 115.31 106.02 2kk0 h LEU 126 Ca 0.00 -0.48 -0.58 0.00 0.09 0.00 0.00 57.88 56.91 2kk0 h LEU 126 Cb 0.80 -0.15 -0.21 0.00 0.09 0.00 0.00 40.66 41.19 2kk0 h LEU 126 CO 0.00 1.37 -0.82 -0.44 0.09 0.00 0.00 178.44 178.63 2kk0 s SER 127 N -7.17 2.80 0.08 -0.43 0.01 -1.26 -4.91 113.70 102.82 2kk0 s SER 127 Ca -0.04 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2kk0 s SER 127 Cb 0.07 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2kk0 s SER 127 CO 0.89 0.06 0.23 0.20 0.41 0.00 0.00 173.24 175.03 2kk0 s ASN 128 N -2.19 6.36 0.43 2.44 0.01 -1.26 -4.84 114.94 115.89 2kk0 s ASN 128 Ca 0.11 0.26 0.10 0.00 -0.71 0.00 0.00 52.86 52.62 2kk0 s ASN 128 Cb -0.09 -1.95 0.93 0.00 0.41 0.00 0.00 41.25 40.56 2kk0 s ASN 128 CO 0.06 0.14 2.04 1.55 -1.51 0.00 0.00 177.10 179.37 2kk0 h PRO 129 N 2.84 0.33 0.05 -0.60 0.13 -2.01 -2.34 132.00 130.40 2kk0 h PRO 129 Ca -0.46 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2kk0 h PRO 129 Cb 1.17 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.24 2kk0 h PRO 129 CO 0.74 0.28 -0.41 -0.91 -0.23 0.00 0.00 178.00 177.47 2kk0 h ASN 130 N 0.33 0.27 -0.34 1.44 2.35 -2.00 -2.81 115.58 114.82 2kk0 h ASN 130 Ca 0.08 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.92 2kk0 h ASN 130 Cb 0.08 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2kk0 h ASN 130 CO -0.01 1.16 0.22 1.05 -1.65 0.00 0.00 177.43 178.20 2kk0 h GLU 131 N -0.58 0.45 -0.21 0.81 4.11 -1.98 -1.93 114.58 115.24 2kk0 h GLU 131 Ca -0.07 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.38 2kk0 h GLU 131 Cb 1.27 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2kk0 h GLU 131 CO 0.08 0.30 -0.07 1.25 0.07 0.00 0.00 179.01 180.64 2kk0 h LEU 132 N 0.46 -0.24 -0.65 3.06 5.85 -1.43 -1.16 115.31 121.21 2kk0 h LEU 132 Ca 0.12 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2kk0 h LEU 132 Cb -0.05 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2kk0 h LEU 132 CO -0.03 -0.09 0.40 -0.61 -0.34 0.00 0.00 178.44 177.77 2kk0 h GLN 133 N -0.02 0.75 -0.27 1.25 5.75 -1.09 -1.08 115.11 120.41 2kk0 h GLN 133 Ca 0.11 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2kk0 h GLN 133 Cb 0.19 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2kk0 h GLN 133 CO -0.23 0.50 0.16 0.00 -2.65 0.00 0.00 178.83 176.61 2kk0 h ALA 134 N 1.29 0.34 -0.24 3.38 0.00 -1.20 -0.10 119.26 122.73 2kk0 h ALA 134 Ca 0.26 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2kk0 h ALA 134 Cb 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2kk0 h ALA 134 CO -0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 179.25 178.88 2kk0 h ALA 135 N 1.06 0.11 -0.62 0.00 0.00 -0.82 -1.88 119.26 117.11 2kk0 h ALA 135 Ca 0.10 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2kk0 h ALA 135 Cb 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2kk0 h ALA 135 CO -0.02 -0.51 0.24 0.82 0.00 0.00 0.00 179.25 179.78 2kk0 h ILE 136 N -0.06 1.24 -0.22 0.00 2.04 -1.03 -1.02 117.51 118.46 2kk0 h ILE 136 Ca 0.12 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.27 2kk0 h ILE 136 Cb 0.24 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2kk0 h ILE 136 CO -0.28 0.29 -0.06 -0.78 0.00 0.00 0.00 178.15 177.33 2kk0 h ASP 137 N 0.87 -0.21 -0.46 1.72 3.58 -0.72 0.21 116.42 121.41 2kk0 h ASP 137 Ca 0.21 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 2kk0 h ASP 137 Cb 0.23 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2kk0 h ASP 137 CO -0.01 -0.08 0.26 0.28 -2.88 0.00 0.00 179.24 176.81 2kk0 h SER 138 N -0.00 0.60 0.57 2.28 0.02 -1.15 -1.71 113.55 114.16 2kk0 h SER 138 Ca 0.11 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 2kk0 h SER 138 Cb 0.16 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2kk0 h SER 138 CO -0.23 0.50 -0.57 0.78 -1.14 0.00 0.00 176.83 176.18 2kk0 h ASN 139 N 0.68 0.00 1.03 3.07 -0.26 -0.04 -2.48 115.58 117.59 2kk0 h ASN 139 Ca 0.17 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.84 2kk0 h ASN 139 Cb 0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2kk0 h ASN 139 CO -0.03 0.57 -0.35 0.03 -1.06 0.00 0.00 177.43 176.59 2kk0 h ARG 140 N 0.00 0.00 -0.16 0.81 3.08 -0.08 -3.15 114.38 114.88 2kk0 h ARG 140 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2kk0 h ARG 140 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2kk0 h ARG 140 CO 0.07 0.35 0.00 -2.13 -1.07 0.00 0.00 179.97 177.19 2kk0 n ARG 141 N -3.41 1.46 -3.48 0.04 0.63 -0.69 -4.87 116.66 106.33 2kk0 n ARG 141 Ca 0.00 -0.70 -0.34 0.00 -0.92 0.00 0.00 57.85 55.89 2kk0 n ARG 141 Cb 0.54 -1.25 -0.05 0.00 0.45 0.00 0.00 32.46 32.14 2kk0 n ARG 141 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2kk0 s GLU 142 N -1.79 3.83 0.00 -0.14 2.02 -1.18 -4.92 118.70 116.52 2kk0 s GLU 142 Ca 0.21 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.48 2kk0 s GLU 142 Cb 0.11 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2kk0 s GLU 142 CO 0.16 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.33 2kk0 n GLY 143 N 0.60 0.38 3.47 -1.39 0.00 -1.26 -5.08 105.19 101.90 2kk0 n GLY 143 Ca -0.05 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 2kk0 n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kk0 s ARG 144 N -0.08 1.66 0.00 1.61 1.81 -1.26 -5.22 118.95 117.47 2kk0 s ARG 144 Ca 0.00 -1.73 0.25 0.00 -1.72 0.00 0.00 55.73 52.53 2kk0 s ARG 144 Cb 0.00 -1.79 0.36 0.00 -0.45 0.00 0.00 34.95 33.07 2kk0 s ARG 144 CO 0.00 0.34 1.36 0.54 -0.68 0.00 0.00 175.30 176.86