#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 2.22 3.56 3.03 0.00 -1.26 -4.85 105.19 107.88 2kk0 n GLY 2 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2kk0 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kk0 s HIS 3 N 0.00 2.04 -0.15 1.61 0.09 -1.26 -4.96 115.29 112.65 2kk0 s HIS 3 Ca 0.00 0.18 -0.05 0.00 -0.00 0.00 0.00 55.06 55.19 2kk0 s HIS 3 Cb 0.00 -4.33 -0.03 0.00 -0.00 0.00 0.00 32.58 28.21 2kk0 s HIS 3 CO 0.00 -2.01 0.01 -1.01 -0.00 0.00 0.00 174.74 171.73 2kk0 s HIS 4 N 7.71 3.15 -0.38 1.40 4.02 -1.26 -5.02 115.29 124.91 2kk0 s HIS 4 Ca 0.56 -0.05 0.07 0.00 1.02 0.00 0.00 55.06 56.66 2kk0 s HIS 4 Cb -0.07 -1.98 0.57 0.00 -1.02 0.00 0.00 32.58 30.08 2kk0 s HIS 4 CO 0.06 0.14 1.60 -2.39 1.02 0.00 0.00 174.74 175.17 2kk0 n HIS 5 N 3.28 2.03 -1.74 1.40 -0.00 -1.26 -4.89 115.22 114.05 2kk0 n HIS 5 Ca -0.17 -1.09 -0.31 0.00 -0.00 0.00 0.00 57.72 56.15 2kk0 n HIS 5 Cb 0.53 -0.62 -0.04 0.00 -0.00 0.00 0.00 29.99 29.85 2kk0 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk0 s HIS 6 N -2.47 1.32 -1.63 -1.40 0.09 -1.26 -3.18 115.29 106.77 2kk0 s HIS 6 Ca 0.43 1.36 -0.01 0.00 -0.00 0.00 0.00 55.06 56.84 2kk0 s HIS 6 Cb 0.35 -3.73 0.00 0.00 -0.00 0.00 0.00 32.58 29.20 2kk0 s HIS 6 CO 0.10 -2.17 0.11 0.72 -0.00 0.00 0.00 174.74 173.50 2kk0 n HIS 7 N 15.53 -1.10 -3.73 1.40 -0.00 -1.26 -4.99 115.22 121.07 2kk0 n HIS 7 Ca 0.35 0.09 -0.37 0.00 -0.00 0.00 0.00 57.72 57.80 2kk0 n HIS 7 Cb 0.51 -3.87 -0.07 0.00 -0.00 0.00 0.00 29.99 26.56 2kk0 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk0 s HIS 8 N -3.00 3.56 -0.40 4.41 0.09 -1.19 -5.06 115.29 113.69 2kk0 s HIS 8 Ca 0.05 0.58 -0.29 0.00 -0.00 0.00 0.00 55.06 55.41 2kk0 s HIS 8 Cb -0.02 -2.11 0.02 0.00 -0.00 0.00 0.00 32.58 30.47 2kk0 s HIS 8 CO 0.07 0.55 1.09 -1.54 -0.00 0.00 0.00 174.74 174.91 2kk0 s SER 9 N -0.51 6.76 -0.23 1.40 1.04 -1.26 -5.02 113.70 115.88 2kk0 s SER 9 Ca 0.15 0.72 -0.16 0.00 0.48 0.00 0.00 55.95 57.15 2kk0 s SER 9 Cb -0.13 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 2kk0 s SER 9 CO 0.04 -1.06 0.41 -2.28 0.98 0.00 0.00 173.24 171.33 2kk0 s HIS 10 N 4.01 3.32 0.15 5.02 5.65 -1.26 -4.89 115.29 127.30 2kk0 s HIS 10 Ca 0.46 0.56 0.00 0.00 0.25 0.00 0.00 55.06 56.33 2kk0 s HIS 10 Cb -0.10 -2.56 0.00 0.00 -1.18 0.00 0.00 32.58 28.74 2kk0 s HIS 10 CO 0.23 -0.11 0.00 -0.12 -0.65 0.00 0.00 174.74 174.10 2kk0 n MET 11 N 4.85 -1.24 -1.09 2.88 0.00 -1.26 -4.61 117.12 116.66 2kk0 n MET 11 Ca -0.08 0.93 -0.21 0.00 -0.00 0.00 0.00 57.70 58.34 2kk0 n MET 11 Cb 0.51 -1.07 -0.09 0.00 0.00 0.00 0.00 33.22 32.56 2kk0 n MET 11 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2kk0 n PRO 12 N -1.15 0.04 -0.04 2.12 -0.02 -1.26 -4.39 135.00 130.30 2kk0 n PRO 12 Ca 0.00 -1.08 0.01 0.00 -2.02 0.00 0.00 63.50 60.41 2kk0 n PRO 12 Cb 0.03 -2.80 -0.13 0.00 -0.02 0.00 0.00 33.50 30.58 2kk0 n PRO 12 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kk0 n ASP 13 N 12.77 1.17 0.32 2.55 5.75 -1.26 -4.26 116.55 133.59 2kk0 n ASP 13 Ca 0.34 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 55.32 2kk0 n ASP 13 Cb 0.44 1.38 1.10 0.00 -1.03 0.00 0.00 41.12 43.01 2kk0 n ASP 13 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 2kk0 h HIS 14 N 0.00 0.00 0.00 2.11 2.76 -1.95 -3.46 115.15 114.61 2kk0 h HIS 14 Ca -0.18 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2kk0 h HIS 14 Cb 1.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.24 2kk0 h HIS 14 CO 0.00 0.01 0.00 0.41 -1.30 0.00 0.00 177.93 177.05 2kk0 n GLY 15 N -1.02 1.73 3.58 5.26 0.00 -1.26 -4.78 105.19 108.69 2kk0 n GLY 15 Ca -0.03 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 5.68 0.00 1.61 1.01 -1.26 -4.92 116.67 114.79 2kk0 s ASP 16 Ca 0.00 0.76 -0.02 0.00 0.71 0.00 0.00 52.55 54.00 2kk0 s ASP 16 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2kk0 s ASP 16 CO 0.00 -1.97 1.03 -0.50 0.21 0.00 0.00 175.17 173.94 2kk0 h TRP 17 N 13.43 -0.08 0.00 4.23 4.06 -1.98 -3.44 115.95 132.18 2kk0 h TRP 17 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 2kk0 h TRP 17 Cb 1.15 0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2kk0 h TRP 17 CO 1.00 -0.04 0.00 0.25 -3.56 0.00 0.00 178.44 176.09 2kk0 n THR 18 N -2.40 0.00 -3.45 1.49 -2.24 -1.26 -5.01 114.28 101.42 2kk0 n THR 18 Ca -0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 2kk0 n THR 18 Cb 0.03 -0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 67.68 2kk0 n THR 18 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2kk0 s TYR 19 N 0.00 0.43 -0.11 4.78 2.02 -1.26 -5.12 117.35 118.09 2kk0 s TYR 19 Ca 0.00 -1.33 0.03 0.00 -0.37 0.00 0.00 57.07 55.40 2kk0 s TYR 19 Cb 0.00 -0.79 -0.00 0.00 -0.40 0.00 0.00 41.96 40.77 2kk0 s TYR 19 CO 0.00 -0.86 -0.21 -1.21 -1.57 0.00 0.00 175.55 171.70 2kk0 s GLU 20 N 1.30 3.12 0.19 -0.62 0.41 -1.26 -5.02 118.70 116.82 2kk0 s GLU 20 Ca 0.17 -0.83 -0.08 0.00 -0.41 0.00 0.00 54.97 53.82 2kk0 s GLU 20 Cb -0.20 -2.38 0.09 0.00 -1.78 0.00 0.00 34.13 29.86 2kk0 s GLU 20 CO -0.05 0.19 1.60 0.93 -0.49 0.00 0.00 175.26 177.45 2kk0 h GLU 21 N 6.69 0.93 0.00 1.61 3.07 -1.87 -3.40 114.58 121.62 2kk0 h GLU 21 Ca -0.21 -0.36 0.22 0.00 -0.50 0.00 0.00 59.36 58.50 2kk0 h GLU 21 Cb 1.23 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 2kk0 h GLU 21 CO 0.49 1.02 0.65 0.00 -1.40 0.00 0.00 179.01 179.78 2kk0 n GLN 22 N -4.13 0.36 -4.00 2.33 -0.00 -1.26 -4.68 117.38 106.00 2kk0 n GLN 22 Ca 0.01 -0.98 -0.09 0.00 -0.00 0.00 0.00 57.00 55.93 2kk0 n GLN 22 Cb 0.42 1.43 -0.11 0.00 -0.00 0.00 0.00 30.24 31.98 2kk0 n GLN 22 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 2kk0 s PHE 23 N -2.39 0.33 0.58 2.61 -0.12 -1.26 -5.06 117.98 112.68 2kk0 s PHE 23 Ca 0.23 -0.57 0.28 0.00 -0.05 0.00 0.00 56.93 56.82 2kk0 s PHE 23 Cb -0.02 -0.23 1.53 0.00 -0.63 0.00 0.00 43.02 43.67 2kk0 s PHE 23 CO 0.02 -0.19 1.98 -0.22 -0.05 0.00 0.00 175.22 176.76 2kk0 h LYS 24 N 4.51 0.00 -0.98 1.99 1.63 -2.02 -2.95 116.57 118.75 2kk0 h LYS 24 Ca -0.33 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 59.69 2kk0 h LYS 24 Cb 1.20 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.74 2kk0 h LYS 24 CO 0.43 0.00 0.62 0.37 -3.45 0.00 0.00 179.45 177.42 2kk0 h GLN 25 N 0.00 0.54 -0.69 1.90 5.75 -1.97 0.30 115.11 120.93 2kk0 h GLN 25 Ca 0.17 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 2kk0 h GLN 25 Cb 0.91 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 2kk0 h GLN 25 CO -0.00 0.36 0.29 -0.07 -2.65 0.00 0.00 178.83 176.76 2kk0 h LEU 26 N 0.55 0.92 -0.43 -2.39 3.38 -1.95 0.22 115.31 115.62 2kk0 h LEU 26 Ca 0.55 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.24 2kk0 h LEU 26 Cb 1.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2kk0 h LEU 26 CO -0.29 0.81 -0.77 1.88 0.09 0.00 0.00 178.44 180.16 2kk0 h TYR 27 N 1.00 0.00 -0.62 1.13 -1.99 -0.72 -3.27 116.97 112.50 2kk0 h TYR 27 Ca 0.24 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.61 2kk0 h TYR 27 Cb 0.16 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 38.68 2kk0 h TYR 27 CO 0.01 0.77 0.13 0.39 -0.00 0.00 0.00 178.16 179.46 2kk0 n GLU 28 N -3.59 2.21 0.07 4.88 1.02 -0.14 -4.34 120.64 120.74 2kk0 n GLU 28 Ca -0.01 -3.27 -0.12 0.00 -0.02 0.00 0.00 57.16 53.75 2kk0 n GLU 28 Cb 0.75 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.24 -0.77 0.00 -4.62 3.38 -1.02 -3.39 115.31 110.14 2kk0 h LEU 29 Ca 0.38 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2kk0 h LEU 29 Cb 1.83 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.89 2kk0 h LEU 29 CO 0.74 -0.33 -0.97 -0.90 0.09 0.00 0.00 178.44 177.07 2kk0 n ASP 30 N -5.38 4.03 0.00 -0.43 5.75 -1.26 -5.05 116.55 114.21 2kk0 n ASP 30 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 2kk0 n ASP 30 Cb 0.29 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kk0 n GLY 31 N 3.35 1.69 3.76 6.12 0.00 -1.26 -5.12 105.19 113.73 2kk0 n GLY 31 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 7.05 0.29 1.61 -1.08 -1.26 -4.97 116.67 116.31 2kk0 s ASP 32 Ca 0.00 2.33 -0.02 0.00 -0.52 0.00 0.00 52.55 54.33 2kk0 s ASP 32 Cb 0.00 -2.63 0.43 0.00 -1.46 0.00 0.00 42.92 39.26 2kk0 s ASP 32 CO 0.00 -0.30 1.97 1.55 0.52 0.00 0.00 175.17 178.90 2kk0 h PRO 33 N 3.48 1.11 0.00 4.34 0.13 -2.00 -2.40 132.00 136.66 2kk0 h PRO 33 Ca -0.47 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.50 2kk0 h PRO 33 Cb 1.22 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2kk0 h PRO 33 CO 0.66 0.74 -0.44 0.87 -0.23 0.00 0.00 178.00 179.59 2kk0 h LYS 34 N 1.14 0.00 0.29 0.86 6.56 -2.00 -3.30 116.57 120.12 2kk0 h LYS 34 Ca 0.31 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2kk0 h LYS 34 Cb -0.13 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.51 2kk0 h LYS 34 CO -0.07 0.44 -0.40 -0.09 -2.06 0.00 0.00 179.45 177.27 2kk0 h ARG 35 N 0.00 -0.69 -0.33 3.15 9.65 -1.81 -1.72 114.38 122.63 2kk0 h ARG 35 Ca -0.00 0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.83 2kk0 h ARG 35 Cb 1.08 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.81 2kk0 h ARG 35 CO 0.06 -0.46 -0.18 1.57 2.80 0.00 0.00 179.97 183.76 2kk0 h LYS 36 N -0.72 0.59 0.14 0.20 -0.00 -1.69 -2.80 116.57 112.29 2kk0 h LYS 36 Ca -0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 60.65 60.40 2kk0 h LYS 36 Cb 0.65 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 32.83 2kk0 h LYS 36 CO -0.10 0.74 -0.07 0.93 -0.00 0.00 0.00 179.45 180.95 2kk0 h GLU 37 N 0.53 -0.18 -0.55 0.07 5.08 -1.61 -1.27 114.58 116.66 2kk0 h GLU 37 Ca 0.09 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2kk0 h GLU 37 Cb 0.61 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 2kk0 h GLU 37 CO 0.04 -0.08 0.17 0.35 -1.00 0.00 0.00 179.01 178.50 2kk0 h PHE 38 N -0.24 0.30 -0.57 4.33 3.57 -1.26 -1.89 116.94 121.18 2kk0 h PHE 38 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2kk0 h PHE 38 Cb 0.19 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2kk0 h PHE 38 CO -0.05 0.06 0.37 -0.07 -2.23 0.00 0.00 178.31 176.40 2kk0 h LEU 39 N 0.34 0.66 0.26 0.59 3.38 -1.27 0.44 115.31 119.70 2kk0 h LEU 39 Ca 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2kk0 h LEU 39 Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2kk0 h LEU 39 CO -0.30 0.48 -0.12 -0.78 0.09 0.00 0.00 178.44 177.81 2kk0 h ASP 40 N 0.77 -0.29 0.20 -0.43 3.58 -0.76 -1.16 116.42 118.34 2kk0 h ASP 40 Ca 0.21 -0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 2kk0 h ASP 40 Cb -0.08 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2kk0 h ASP 40 CO -0.04 -0.10 -0.25 0.44 -2.88 0.00 0.00 179.24 176.41 2kk0 h ASP 41 N -0.48 0.09 0.82 2.28 3.32 -1.32 -0.60 116.42 120.53 2kk0 h ASP 41 Ca -0.04 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2kk0 h ASP 41 Cb 0.36 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.89 2kk0 h ASP 41 CO 0.06 0.35 -0.39 0.25 -1.72 0.00 0.00 179.24 177.78 2kk0 h LEU 42 N 0.08 -0.93 -0.79 1.55 5.85 -0.73 0.90 115.31 121.24 2kk0 h LEU 42 Ca 0.01 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2kk0 h LEU 42 Cb 0.50 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2kk0 h LEU 42 CO 0.04 -0.60 0.49 -0.26 -0.34 0.00 0.00 178.44 177.76 2kk0 h PHE 43 N -1.21 0.92 -0.02 1.25 0.04 -1.10 -2.03 116.94 114.79 2kk0 h PHE 43 Ca -0.11 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.69 2kk0 h PHE 43 Cb 0.85 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 2kk0 h PHE 43 CO -0.00 0.50 -0.03 1.03 -0.60 0.00 0.00 178.31 179.21 2kk0 h SER 44 N 0.94 -0.08 0.26 2.17 0.87 -1.12 -2.34 113.55 114.25 2kk0 h SER 44 Ca 0.33 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2kk0 h SER 44 Cb 0.07 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2kk0 h SER 44 CO -0.13 -0.04 -0.22 0.15 -0.53 0.00 0.00 176.83 176.06 2kk0 h PHE 45 N -0.04 -0.57 -0.11 2.24 3.57 -0.26 -1.53 116.94 120.24 2kk0 h PHE 45 Ca 0.02 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2kk0 h PHE 45 Cb 0.06 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2kk0 h PHE 45 CO -0.11 -0.33 -0.07 0.00 -2.23 0.00 0.00 178.31 175.57 2kk0 h MET 46 N -0.49 0.17 -0.42 1.11 -0.00 -1.43 -2.03 114.93 111.83 2kk0 h MET 46 Ca -0.01 -0.03 -0.12 0.00 -0.00 0.00 0.00 59.70 59.54 2kk0 h MET 46 Cb 0.44 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.00 2kk0 h MET 46 CO -0.02 0.25 -0.21 0.37 -0.00 0.00 0.00 176.91 177.30 2kk0 h GLN 47 N 0.16 0.83 -0.81 -0.10 4.15 -1.01 -0.18 115.11 118.16 2kk0 h GLN 47 Ca 0.04 -0.34 0.08 0.00 0.77 0.00 0.00 58.65 59.20 2kk0 h GLN 47 Cb 0.24 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.83 2kk0 h GLN 47 CO 0.01 0.97 0.47 0.87 -1.93 0.00 0.00 178.83 179.23 2kk0 h LYS 48 N 0.73 0.80 -0.18 1.69 1.57 -0.53 -0.70 116.57 119.95 2kk0 h LYS 48 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2kk0 h LYS 48 Cb 0.74 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2kk0 h LYS 48 CO 0.06 0.53 0.00 2.89 -0.57 0.00 0.00 179.45 182.36 2kk0 n ARG 49 N -4.72 1.36 -2.43 3.15 1.85 -1.17 -4.89 116.66 109.82 2kk0 n ARG 49 Ca 0.12 -0.54 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 2kk0 n ARG 49 Cb 0.24 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 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 0.72 0.89 2.68 2.89 0.00 -0.27 -5.04 105.19 107.06 2kk0 n GLY 50 Ca 0.05 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.29 -0.21 -1.20 2.61 5.66 -0.09 -5.01 114.28 113.75 2kk0 n THR 51 Ca 0.00 -1.54 -0.18 0.00 -3.05 0.00 0.00 64.05 59.28 2kk0 n THR 51 Cb 0.50 0.56 0.14 0.00 -1.55 0.00 0.00 70.33 69.98 2kk0 n THR 51 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2kk0 n PRO 52 N 2.69 -1.51 -2.62 1.09 -0.02 -1.25 -3.72 135.00 129.66 2kk0 n PRO 52 Ca 0.19 -1.14 -0.43 0.00 -2.02 0.00 0.00 63.50 60.10 2kk0 n PRO 52 Cb 0.56 -0.89 -0.02 0.00 -0.02 0.00 0.00 33.50 33.12 2kk0 n PRO 52 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kk0 s VAL 53 N -2.47 4.55 -0.02 -1.45 1.01 -1.26 -4.93 120.40 115.82 2kk0 s VAL 53 Ca 0.44 1.82 -0.03 0.00 0.00 0.00 0.00 61.98 64.21 2kk0 s VAL 53 Cb -0.03 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 2kk0 s VAL 53 CO 0.32 -0.34 0.27 -1.13 0.00 0.00 0.00 175.10 174.22 2kk0 h ASN 54 N 7.90 -0.09 -5.00 3.32 -1.24 -1.90 -3.45 115.58 115.11 2kk0 h ASN 54 Ca -0.21 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.70 2kk0 h ASN 54 Cb 1.06 0.02 -0.20 0.00 0.73 0.00 0.00 38.32 39.94 2kk0 h ASN 54 CO 1.01 0.07 -0.17 0.00 -1.29 0.00 0.00 177.43 177.05 2kk0 s ARG 55 N -1.85 0.76 0.21 6.67 1.70 -1.26 -4.53 118.95 120.65 2kk0 s ARG 55 Ca -0.02 -0.12 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 2kk0 s ARG 55 Cb 0.00 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 2kk0 s ARG 55 CO 0.05 -0.22 1.22 0.42 -1.08 0.00 0.00 175.30 175.69 2kk0 s ILE 56 N -1.39 3.41 -0.14 4.99 1.01 -1.26 -4.96 121.20 122.85 2kk0 s ILE 56 Ca -0.12 1.22 -0.29 0.00 0.00 0.00 0.00 60.65 61.46 2kk0 s ILE 56 Cb -0.04 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2kk0 s ILE 56 CO 0.05 0.21 1.73 -2.84 0.00 0.00 0.00 174.94 174.09 2kk0 s PRO 57 N -0.47 3.87 -0.30 2.79 0.02 -1.26 -4.72 135.00 134.94 2kk0 s PRO 57 Ca 0.52 1.96 -0.17 0.00 0.02 0.00 0.00 61.00 63.34 2kk0 s PRO 57 Cb -0.34 -4.07 -0.02 0.00 0.02 0.00 0.00 34.50 30.09 2kk0 s PRO 57 CO 0.39 -1.22 0.45 0.42 -0.33 0.00 0.00 177.00 176.71 2kk0 s ILE 58 N 5.12 5.10 -0.09 2.83 -1.09 -1.26 -1.86 121.20 129.95 2kk0 s ILE 58 Ca 0.77 0.54 0.03 0.00 -2.23 0.00 0.00 60.65 59.76 2kk0 s ILE 58 Cb -0.30 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 36.76 2kk0 s ILE 58 CO 0.31 0.00 -0.19 -0.32 -1.23 0.00 0.00 174.94 173.51 2kk0 s MET 59 N 2.23 2.53 -1.43 2.79 1.75 0.10 -4.71 119.30 122.57 2kk0 s MET 59 Ca 0.17 -0.70 -0.01 0.00 -1.25 0.00 0.00 55.69 53.91 2kk0 s MET 59 Cb -0.16 -1.97 0.00 0.00 2.84 0.00 0.00 34.83 35.54 2kk0 s MET 59 CO 0.11 0.10 0.14 0.00 -0.65 0.00 0.00 175.02 174.72 2kk0 n ALA 60 N 3.69 -0.59 -0.90 4.11 0.00 -1.26 -1.74 120.51 123.82 2kk0 n ALA 60 Ca -0.20 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kk0 n ALA 60 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 -2.88 -0.32 -4.54 0.00 4.76 -1.26 -4.99 118.16 108.93 2kk0 n LYS 61 Ca -0.18 0.08 -0.26 0.00 -2.87 0.00 0.00 58.31 55.09 2kk0 n LYS 61 Cb 0.64 -3.45 -0.09 0.00 -1.84 0.00 0.00 35.03 30.30 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 -0.52 1.89 0.32 1.97 -2.07 -0.71 -4.91 119.66 115.62 2kk0 s GLN 62 Ca 0.00 -2.13 -0.29 0.00 -1.82 0.00 0.00 55.36 51.13 2kk0 s GLN 62 Cb 0.00 -0.89 -0.10 0.00 -1.09 0.00 0.00 33.01 30.93 2kk0 s GLN 62 CO 0.00 -0.35 1.24 0.54 -1.32 0.00 0.00 175.29 175.40 2kk0 s VAL 63 N -3.16 2.95 -0.44 3.63 0.11 -1.26 0.00 120.40 122.23 2kk0 s VAL 63 Ca 0.25 0.95 -0.25 0.00 -2.93 0.00 0.00 61.98 60.01 2kk0 s VAL 63 Cb 0.05 -3.60 0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2kk0 s VAL 63 CO 0.13 0.22 0.87 -0.22 -3.33 0.00 0.00 175.10 172.77 2kk0 s LEU 64 N -1.74 4.09 -0.84 2.54 2.96 -0.78 -4.70 118.68 120.21 2kk0 s LEU 64 Ca 0.48 0.11 -0.22 0.00 -0.22 0.00 0.00 54.13 54.28 2kk0 s LEU 64 Cb -0.37 -3.12 -0.18 0.00 0.50 0.00 0.00 46.19 43.02 2kk0 s LEU 64 CO 0.49 -0.97 2.35 0.47 -1.32 0.00 0.00 176.35 177.37 2kk0 n ASP 65 N 6.93 1.09 -0.26 3.68 9.92 -1.26 -4.79 116.55 131.87 2kk0 n ASP 65 Ca 0.05 -1.32 0.00 0.00 -0.53 0.00 0.00 54.79 52.99 2kk0 n ASP 65 Cb 0.48 -1.42 0.13 0.00 -0.64 0.00 0.00 41.12 39.66 2kk0 n ASP 65 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2kk0 h LEU 66 N 20.14 0.60 -0.10 0.64 3.38 -1.96 0.31 115.31 138.32 2kk0 h LEU 66 Ca 0.01 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2kk0 h LEU 66 Cb 1.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2kk0 h LEU 66 CO 1.13 0.37 -0.05 0.15 0.09 0.00 0.00 178.44 180.13 2kk0 h PHE 67 N 0.73 -0.11 -0.02 1.13 3.04 -1.95 -2.16 116.94 117.60 2kk0 h PHE 67 Ca 0.34 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.16 2kk0 h PHE 67 Cb 0.26 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 2kk0 h PHE 67 CO -0.07 -0.08 -0.64 0.52 -2.02 0.00 0.00 178.31 176.02 2kk0 h MET 68 N -0.04 0.07 -0.42 1.11 0.00 -1.84 -2.73 114.93 111.09 2kk0 h MET 68 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 59.70 59.72 2kk0 h MET 68 Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 31.60 31.70 2kk0 h MET 68 CO -0.12 0.68 0.25 1.25 0.00 0.00 0.00 176.91 178.97 2kk0 h LEU 69 N 0.05 0.40 -0.01 1.22 5.85 -0.14 0.48 115.31 123.15 2kk0 h LEU 69 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2kk0 h LEU 69 Cb 1.14 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2kk0 h LEU 69 CO 0.09 0.29 -0.14 0.22 -0.34 0.00 0.00 178.44 178.56 2kk0 h TYR 70 N 0.50 -0.35 -0.06 1.25 3.20 -1.28 -1.15 116.97 119.08 2kk0 h TYR 70 Ca 0.17 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2kk0 h TYR 70 Cb 0.01 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 2kk0 h TYR 70 CO -0.07 -0.20 -0.22 0.28 -1.64 0.00 0.00 178.16 176.31 2kk0 h VAL 71 N -0.22 0.48 0.43 1.81 2.07 -1.13 -1.20 116.25 118.49 2kk0 h VAL 71 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2kk0 h VAL 71 Cb 0.29 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2kk0 h VAL 71 CO -0.15 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.17 2kk0 h LEU 72 N -0.31 -0.48 -0.99 2.57 -0.00 -0.87 -1.76 115.31 113.47 2kk0 h LEU 72 Ca 0.08 -0.03 0.04 0.00 -0.00 0.00 0.00 57.88 57.96 2kk0 h LEU 72 Cb 0.42 0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 41.15 2kk0 h LEU 72 CO -0.24 -0.28 0.64 0.58 -0.00 0.00 0.00 178.44 179.15 2kk0 h VAL 73 N -0.66 1.17 -0.23 1.22 2.07 -1.16 -1.83 116.25 116.82 2kk0 h VAL 73 Ca -0.06 -0.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 2kk0 h VAL 73 Cb 0.49 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2kk0 h VAL 73 CO 0.10 0.23 -0.34 0.71 0.02 0.00 0.00 177.57 178.29 2kk0 h THR 74 N 1.25 1.32 0.00 2.57 1.35 -1.18 0.56 112.91 118.76 2kk0 h THR 74 Ca 0.39 -1.53 -0.02 0.00 -0.55 0.00 0.00 66.41 64.70 2kk0 h THR 74 Cb 0.00 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2kk0 h THR 74 CO -0.13 0.48 -0.10 1.05 -0.25 0.00 0.00 175.52 176.58 2kk0 h GLU 75 N 0.34 0.00 -0.00 4.72 4.11 -1.07 -0.40 114.58 122.28 2kk0 h GLU 75 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2kk0 h GLU 75 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kk0 h GLU 75 CO 0.08 0.10 -0.06 1.63 0.07 0.00 0.00 179.01 180.83 2kk0 n LYS 76 N -3.58 0.95 0.00 1.06 4.76 -0.71 -4.90 118.16 115.74 2kk0 n LYS 76 Ca -0.02 -0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 2kk0 n LYS 76 Cb 0.22 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 1.19 1.24 0.00 0.72 0.00 -0.16 -4.45 105.19 103.73 2kk0 n GLY 77 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.54 0.96 0.43 -0.02 0.00 0.17 -4.31 105.19 101.87 2kk0 n GLY 78 Ca 0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.67 -0.49 0.99 5.85 -1.95 -0.39 115.31 117.66 2kk0 h LEU 79 Ca 0.00 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2kk0 h LEU 79 Cb 0.00 0.69 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2kk0 h LEU 79 CO 0.00 -0.41 0.22 0.58 -0.34 0.00 0.00 178.44 178.50 2kk0 h VAL 80 N -0.41 1.20 -0.82 1.05 2.07 -1.93 -0.91 116.25 116.50 2kk0 h VAL 80 Ca 0.09 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2kk0 h VAL 80 Cb 0.61 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2kk0 h VAL 80 CO -0.56 0.22 0.40 -0.08 0.02 0.00 0.00 177.57 177.57 2kk0 h GLU 81 N 0.65 1.17 -0.60 1.57 4.81 -1.65 -0.09 114.58 120.44 2kk0 h GLU 81 Ca 0.17 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2kk0 h GLU 81 Cb 0.14 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2kk0 h GLU 81 CO -0.02 0.89 0.35 0.28 -0.73 0.00 0.00 179.01 179.78 2kk0 h VAL 82 N 1.16 1.18 -0.07 0.32 2.07 -0.68 0.14 116.25 120.37 2kk0 h VAL 82 Ca 0.28 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.38 2kk0 h VAL 82 Cb 0.11 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2kk0 h VAL 82 CO -0.04 0.19 0.02 0.40 0.02 0.00 0.00 177.57 178.16 2kk0 h ILE 83 N 0.81 0.98 -0.53 4.57 2.04 -0.61 -0.62 117.51 124.15 2kk0 h ILE 83 Ca 0.21 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 2kk0 h ILE 83 Cb 0.00 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2kk0 h ILE 83 CO -0.04 0.01 0.08 0.78 0.00 0.00 0.00 178.15 178.98 2kk0 h ASN 84 N 0.05 0.79 1.22 1.72 2.35 -0.84 -2.40 115.58 118.47 2kk0 h ASN 84 Ca 0.03 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2kk0 h ASN 84 Cb 0.02 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.18 2kk0 h ASN 84 CO -0.03 0.81 0.00 0.11 -1.65 0.00 0.00 177.43 176.67 2kk0 h LYS 85 N 0.79 0.00 -0.71 0.81 1.79 -0.52 -3.47 116.57 115.27 2kk0 h LYS 85 Ca 0.17 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.33 2kk0 h LYS 85 Cb 0.37 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.90 2kk0 h LYS 85 CO 0.01 0.00 -0.27 1.63 -1.08 0.00 0.00 179.45 179.73 2kk0 n LYS 86 N -2.50 -1.62 -0.72 3.15 4.76 -0.26 -4.84 118.16 116.13 2kk0 n LYS 86 Ca 0.03 1.02 -0.07 0.00 -2.87 0.00 0.00 58.31 56.43 2kk0 n LYS 86 Cb 0.36 -5.44 0.19 0.00 -1.84 0.00 0.00 35.03 28.29 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 -1.68 4.89 0.26 -0.35 -0.00 -1.21 -4.48 117.00 114.42 2kk0 n LEU 87 Ca -0.15 -2.54 0.17 0.00 -0.00 0.00 0.00 56.01 53.49 2kk0 n LEU 87 Cb 0.63 -0.68 0.78 0.00 -0.00 0.00 0.00 43.42 44.15 2kk0 n LEU 87 CO 0.22 0.70 1.14 -0.50 -0.00 0.00 0.00 177.39 178.96 2kk0 h TRP 88 N 1.55 0.00 0.00 1.47 4.06 -1.89 0.23 115.95 121.37 2kk0 h TRP 88 Ca 0.23 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.14 2kk0 h TRP 88 Cb 1.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.06 2kk0 h TRP 88 CO 0.91 0.00 -0.21 0.00 -3.56 0.00 0.00 178.44 175.58 2kk0 h ARG 89 N 0.00 0.00 -0.72 0.49 3.08 -1.96 -0.71 114.38 114.56 2kk0 h ARG 89 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2kk0 h ARG 89 Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 2kk0 h ARG 89 CO -0.00 0.21 0.34 0.93 -1.07 0.00 0.00 179.97 180.38 2kk0 h GLU 90 N 0.00 1.03 0.26 0.04 4.39 -0.91 -1.82 114.58 117.56 2kk0 h GLU 90 Ca -0.00 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2kk0 h GLU 90 Cb 0.50 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2kk0 h GLU 90 CO 0.03 0.80 -0.12 0.82 -1.16 0.00 0.00 179.01 179.37 2kk0 h ILE 91 N 1.02 0.78 -0.16 3.13 1.08 -1.23 0.86 117.51 122.99 2kk0 h ILE 91 Ca 0.25 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 64.07 2kk0 h ILE 91 Cb 0.11 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 2kk0 h ILE 91 CO -0.03 0.14 -0.09 0.71 -0.69 0.00 0.00 178.15 178.19 2kk0 h THR 92 N -0.72 0.73 -0.55 -0.27 1.35 -1.48 -1.44 112.91 110.53 2kk0 h THR 92 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2kk0 h THR 92 Cb 0.49 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 2kk0 h THR 92 CO 0.06 0.00 0.35 0.50 -0.25 0.00 0.00 175.52 176.18 2kk0 h LYS 93 N -0.08 0.73 -0.11 4.72 1.63 -1.35 0.16 116.57 122.27 2kk0 h LYS 93 Ca 0.09 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 2kk0 h LYS 93 Cb 0.21 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 2kk0 h LYS 93 CO -0.21 0.49 -0.27 0.78 -3.45 0.00 0.00 179.45 176.79 2kk0 h GLY 94 N 0.76 0.22 -1.94 5.01 0.00 -0.05 -2.73 103.07 104.33 2kk0 h GLY 94 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2kk0 h GLY 94 CO -0.04 0.15 0.00 1.04 0.00 0.00 0.00 176.54 177.69 2kk0 n LEU 95 N -4.15 2.88 -0.53 3.11 4.77 -0.61 -4.88 117.00 117.59 2kk0 n LEU 95 Ca -0.01 -1.45 -0.07 0.00 -0.03 0.00 0.00 56.01 54.45 2kk0 n LEU 95 Cb 0.37 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2kk0 n LEU 95 CO 0.39 0.54 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.73 2kk0 n ASN 96 N 0.63 -4.68 -4.85 -1.43 2.85 -1.03 -4.99 115.26 101.75 2kk0 n ASN 96 Ca 0.15 0.17 -0.33 0.00 -0.11 0.00 0.00 54.58 54.46 2kk0 n ASN 96 Cb 0.53 -2.78 -0.06 0.00 1.24 0.00 0.00 39.78 38.71 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 -1.56 4.14 0.07 1.20 1.43 0.47 -4.98 118.68 119.44 2kk0 s LEU 97 Ca 0.00 1.17 -0.31 0.00 -1.03 0.00 0.00 54.13 53.96 2kk0 s LEU 97 Cb 0.00 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 42.28 2kk0 s LEU 97 CO 0.00 -0.12 1.52 -2.16 0.23 0.00 0.00 176.35 175.81 2kk0 s PRO 98 N -2.77 4.25 0.00 1.29 0.04 -1.26 -3.71 135.00 132.84 2kk0 s PRO 98 Ca 0.50 2.18 0.14 0.00 0.04 0.00 0.00 61.00 63.86 2kk0 s PRO 98 Cb -0.11 -3.46 0.84 0.00 0.04 0.00 0.00 34.50 31.80 2kk0 s PRO 98 CO 0.19 -0.61 1.35 -2.37 0.04 0.00 0.00 177.00 175.60 2kk0 n THR 99 N 4.45 0.00 0.14 1.26 5.66 -1.26 -2.88 114.28 121.65 2kk0 n THR 99 Ca 0.14 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.24 2kk0 n THR 99 Cb 0.41 -0.44 0.20 0.00 -1.55 0.00 0.00 70.33 68.96 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 -0.80 3.30 -4.71 1.09 2.88 -1.26 -4.99 113.62 109.13 2kk0 n SER 100 Ca 0.11 -1.94 -0.43 0.00 -1.33 0.00 0.00 58.87 55.28 2kk0 n SER 100 Cb 0.05 -0.26 -0.01 0.00 -0.75 0.00 0.00 64.21 63.24 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 1.28 1.45 -1.63 2.46 5.41 -1.14 -4.85 119.36 122.33 2kk0 n ILE 101 Ca 0.18 -0.36 -0.49 0.00 1.00 0.00 0.00 62.75 63.07 2kk0 n ILE 101 Cb 0.55 -1.66 -0.05 0.00 -0.71 0.00 0.00 39.64 37.77 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 1.23 0.48 -2.74 1.39 -1.04 -1.26 -1.80 114.28 110.53 2kk0 n THR 102 Ca 0.07 -0.17 -0.18 0.00 -2.04 0.00 0.00 64.05 61.74 2kk0 n THR 102 Cb 0.35 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 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 7.72 -4.60 -0.19 8.00 3.41 -1.26 -4.87 113.62 121.84 2kk0 n SER 103 Ca 0.27 -0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.81 2kk0 n SER 103 Cb 0.29 -3.83 0.06 0.00 -0.26 0.00 0.00 64.21 60.47 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 0.99 0.42 -0.26 7.33 0.00 -1.73 -0.34 119.26 125.67 2kk0 h ALA 104 Ca -0.40 0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kk0 h ALA 104 Cb 1.28 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 2kk0 h ALA 104 CO 0.47 -0.43 0.11 0.00 0.00 0.00 0.00 179.25 179.40 2kk0 h ALA 105 N 1.56 0.31 -0.46 0.00 0.00 -1.89 -1.12 119.26 117.65 2kk0 h ALA 105 Ca 0.28 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2kk0 h ALA 105 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kk0 h ALA 105 CO -0.56 -0.30 -0.18 0.35 0.00 0.00 0.00 179.25 178.56 2kk0 h PHE 106 N 0.24 1.01 -0.04 0.00 3.57 -1.77 -1.55 116.94 118.40 2kk0 h PHE 106 Ca 0.11 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2kk0 h PHE 106 Cb 0.06 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2kk0 h PHE 106 CO -0.11 0.99 0.01 1.15 -2.23 0.00 0.00 178.31 178.12 2kk0 h THR 107 N 0.78 1.16 -0.71 4.41 2.02 -0.82 -1.89 112.91 117.85 2kk0 h THR 107 Ca 0.11 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.83 2kk0 h THR 107 Cb 0.71 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 2kk0 h THR 107 CO 0.05 0.13 0.47 -0.07 0.37 0.00 0.00 175.52 176.47 2kk0 h LEU 108 N -0.12 0.82 -0.73 2.58 3.38 -1.18 -0.81 115.31 119.24 2kk0 h LEU 108 Ca 0.01 -0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.11 2kk0 h LEU 108 Cb 0.20 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 2kk0 h LEU 108 CO -0.00 0.60 0.23 -0.09 0.09 0.00 0.00 178.44 179.26 2kk0 h ARG 109 N 0.96 0.33 0.41 1.13 1.12 -1.15 -0.95 114.38 116.24 2kk0 h ARG 109 Ca 0.26 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.09 2kk0 h ARG 109 Cb -0.11 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 29.78 2kk0 h ARG 109 CO -0.06 0.22 -0.20 1.15 -3.11 0.00 0.00 179.97 177.98 2kk0 h THR 110 N 0.34 0.40 -0.78 0.20 2.02 -0.58 -3.09 112.91 111.43 2kk0 h THR 110 Ca 0.41 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2kk0 h THR 110 Cb 0.65 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2kk0 h THR 110 CO -0.45 0.08 0.43 1.56 0.37 0.00 0.00 175.52 177.50 2kk0 h GLN 111 N -0.97 1.09 -0.47 6.66 1.08 -1.01 -1.63 115.11 119.85 2kk0 h GLN 111 Ca -0.06 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 57.03 2kk0 h GLN 111 Cb 0.55 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 2kk0 h GLN 111 CO 0.09 0.80 0.29 -0.92 -0.95 0.00 0.00 178.83 178.15 2kk0 h TYR 112 N 1.08 0.55 -0.93 2.96 5.03 -1.31 -1.86 116.97 122.49 2kk0 h TYR 112 Ca 0.27 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.67 2kk0 h TYR 112 Cb 0.03 -0.18 -0.07 0.00 1.55 0.00 0.00 36.73 38.06 2kk0 h TYR 112 CO 0.00 0.33 0.59 1.98 -1.32 0.00 0.00 178.16 179.74 2kk0 h MET 113 N 0.59 1.01 -0.30 1.82 4.05 -1.31 0.27 114.93 121.07 2kk0 h MET 113 Ca 0.18 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.48 2kk0 h MET 113 Cb -0.02 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.55 2kk0 h MET 113 CO -0.07 0.67 -0.04 0.87 0.23 0.00 0.00 176.91 178.57 2kk0 h LYS 114 N 1.04 0.56 0.00 0.39 1.57 -0.70 -3.36 116.57 116.08 2kk0 h LYS 114 Ca 0.42 -0.20 -0.24 0.00 -1.87 0.00 0.00 60.65 58.75 2kk0 h LYS 114 Cb 0.23 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2kk0 h LYS 114 CO -0.19 0.73 -1.77 0.66 -0.57 0.00 0.00 179.45 178.31 2kk0 n TYR 115 N -4.52 0.00 0.04 -1.35 4.01 -0.76 -4.83 117.16 109.76 2kk0 n TYR 115 Ca -0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.77 2kk0 n TYR 115 Cb 0.29 -0.54 -0.08 0.00 -0.31 0.00 0.00 39.34 38.71 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 -3.72 0.62 -0.04 7.72 4.77 0.48 -4.41 117.00 122.42 2kk0 n LEU 116 Ca -0.29 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 2kk0 n LEU 116 Cb 0.69 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 2kk0 n LEU 116 CO 0.02 0.02 0.80 0.22 -1.33 0.00 0.00 177.39 177.13 2kk0 h TYR 117 N 0.00 -0.20 -0.80 -1.77 3.20 -0.76 -0.71 116.97 115.92 2kk0 h TYR 117 Ca -0.10 0.02 0.18 0.00 3.14 0.00 0.00 58.73 61.97 2kk0 h TYR 117 Cb 1.31 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.65 2kk0 h TYR 117 CO 0.00 -0.14 0.54 -1.35 -1.64 0.00 0.00 178.16 175.57 2kk0 h PRO 118 N -0.05 0.31 -0.11 1.82 0.11 -1.80 -1.59 132.00 130.69 2kk0 h PRO 118 Ca 0.11 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.98 2kk0 h PRO 118 Cb 0.22 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.27 2kk0 h PRO 118 CO -0.25 0.21 -0.80 -0.92 -0.21 0.00 0.00 178.00 176.03 2kk0 h TYR 119 N 0.32 1.01 0.13 0.65 3.20 -1.41 -1.89 116.97 118.99 2kk0 h TYR 119 Ca 0.40 -0.47 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 2kk0 h TYR 119 Cb 1.08 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2kk0 h TYR 119 CO -0.00 1.30 -0.06 1.49 -1.64 0.00 0.00 178.16 179.25 2kk0 h GLU 120 N 0.44 -0.17 0.00 1.82 4.22 -0.50 -0.53 114.58 119.86 2kk0 h GLU 120 Ca -0.07 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 2kk0 h GLU 120 Cb 1.44 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 2kk0 h GLU 120 CO 0.16 -0.06 -0.07 0.00 -2.18 0.00 0.00 179.01 176.87 2kk0 h GLU 122 N 0.00 -0.11 0.00 0.00 4.57 -1.00 -3.38 114.58 114.66 2kk0 h GLU 122 Ca -0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2kk0 h GLU 122 Cb 0.14 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2kk0 h GLU 122 CO 0.01 -0.08 0.00 0.87 -1.18 0.00 0.00 179.01 178.63 2kk0 h LYS 123 N -0.39 0.00 0.00 1.92 1.79 -1.13 -3.45 116.57 115.31 2kk0 h LYS 123 Ca -0.01 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.15 2kk0 h LYS 123 Cb 0.09 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.67 2kk0 h LYS 123 CO 0.02 0.00 -0.25 0.54 -1.08 0.00 0.00 179.45 178.68 2kk0 n ARG 124 N -2.71 0.81 -2.66 3.15 5.12 0.55 -5.08 116.66 115.84 2kk0 n ARG 124 Ca 0.03 -1.89 -0.01 0.00 -1.93 0.00 0.00 57.85 54.05 2kk0 n ARG 124 Cb 0.37 0.97 0.05 0.00 -1.16 0.00 0.00 32.46 32.68 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 0.75 2.09 0.10 -0.13 0.00 -1.26 -4.40 105.19 102.35 2kk0 n GLY 125 Ca -0.04 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 2.44 -0.11 -9.04 0.99 3.38 -1.90 -3.47 115.31 107.60 2kk0 h LEU 126 Ca -0.11 -0.43 -0.68 0.00 0.09 0.00 0.00 57.88 56.75 2kk0 h LEU 126 Cb 1.34 0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.92 2kk0 h LEU 126 CO 0.22 0.53 -0.81 -0.44 0.09 0.00 0.00 178.44 178.03 2kk0 s SER 127 N -5.65 3.83 0.13 -0.43 0.01 -1.26 -4.93 113.70 105.40 2kk0 s SER 127 Ca -0.12 -0.52 0.06 0.00 1.31 0.00 0.00 55.95 56.68 2kk0 s SER 127 Cb -0.00 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 2kk0 s SER 127 CO 0.44 0.20 -0.02 0.20 0.41 0.00 0.00 173.24 174.47 2kk0 s ASN 128 N -1.91 4.78 0.31 2.44 0.01 -1.26 -4.79 114.94 114.52 2kk0 s ASN 128 Ca 0.17 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 2kk0 s ASN 128 Cb -0.11 -1.04 0.52 0.00 0.41 0.00 0.00 41.25 41.03 2kk0 s ASN 128 CO 0.08 0.14 1.86 1.55 -1.51 0.00 0.00 177.10 179.23 2kk0 h PRO 129 N 3.19 0.67 0.15 -0.60 0.13 -2.01 0.06 132.00 133.60 2kk0 h PRO 129 Ca -0.48 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2kk0 h PRO 129 Cb 1.18 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kk0 h PRO 129 CO 0.57 0.64 -0.07 -0.91 -0.23 0.00 0.00 178.00 178.00 2kk0 h ASN 130 N 0.65 -0.17 0.24 1.44 2.35 -2.01 -2.66 115.58 115.42 2kk0 h ASN 130 Ca 0.14 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 2kk0 h ASN 130 Cb 0.29 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2kk0 h ASN 130 CO 0.00 0.03 -0.33 1.05 -1.65 0.00 0.00 177.43 176.53 2kk0 h GLU 131 N -0.37 0.15 -0.18 0.81 4.11 -1.96 -3.00 114.58 114.15 2kk0 h GLU 131 Ca -0.02 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 59.41 2kk0 h GLU 131 Cb 0.29 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2kk0 h GLU 131 CO 0.03 0.46 -0.20 1.25 0.07 0.00 0.00 179.01 180.63 2kk0 h LEU 132 N 0.13 -0.62 -0.92 3.06 5.85 -0.81 0.19 115.31 122.19 2kk0 h LEU 132 Ca 0.02 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2kk0 h LEU 132 Cb 0.65 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2kk0 h LEU 132 CO 0.05 -0.24 0.61 -0.61 -0.34 0.00 0.00 178.44 177.90 2kk0 h GLN 133 N -0.23 1.19 -0.61 1.25 5.75 -1.37 -1.84 115.11 119.26 2kk0 h GLN 133 Ca 0.11 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2kk0 h GLN 133 Cb 0.40 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2kk0 h GLN 133 CO -0.31 0.79 0.11 0.00 -2.65 0.00 0.00 178.83 176.77 2kk0 h ALA 134 N 1.35 0.81 0.45 3.38 0.00 -1.29 -0.53 119.26 123.44 2kk0 h ALA 134 Ca 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kk0 h ALA 134 Cb -0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2kk0 h ALA 134 CO -0.09 0.55 -0.26 0.00 0.00 0.00 0.00 179.25 179.46 2kk0 h ALA 135 N 1.03 -0.66 -0.79 0.00 0.00 -0.24 -0.03 119.26 118.56 2kk0 h ALA 135 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kk0 h ALA 135 Cb 0.41 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2kk0 h ALA 135 CO 0.01 -0.88 0.49 0.82 0.00 0.00 0.00 179.25 179.69 2kk0 h ILE 136 N -0.66 1.22 -0.58 0.00 2.04 -1.32 -0.73 117.51 117.47 2kk0 h ILE 136 Ca -0.05 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2kk0 h ILE 136 Cb 0.53 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2kk0 h ILE 136 CO 0.07 0.22 0.32 -0.78 0.00 0.00 0.00 178.15 177.99 2kk0 h ASP 137 N 1.08 0.72 -0.57 1.72 3.58 -0.97 0.32 116.42 122.30 2kk0 h ASP 137 Ca 0.29 -0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.68 2kk0 h ASP 137 Cb -0.06 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 40.77 2kk0 h ASP 137 CO -0.06 0.60 0.34 0.28 -2.88 0.00 0.00 179.24 177.52 2kk0 h SER 138 N 0.78 0.54 -0.47 2.28 0.02 -0.52 0.37 113.55 116.56 2kk0 h SER 138 Ca 0.21 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2kk0 h SER 138 Cb 0.03 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2kk0 h SER 138 CO -0.03 0.38 0.30 0.78 -1.14 0.00 0.00 176.83 177.11 2kk0 h ASN 139 N 0.67 0.55 0.32 3.07 -0.26 -0.61 -2.02 115.58 117.29 2kk0 h ASN 139 Ca 0.24 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 2kk0 h ASN 139 Cb 0.05 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 2kk0 h ASN 139 CO -0.11 0.41 -0.20 0.03 -1.06 0.00 0.00 177.43 176.51 2kk0 h ARG 140 N 0.63 0.00 0.00 0.81 3.08 -0.56 -2.25 114.38 116.09 2kk0 h ARG 140 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2kk0 h ARG 140 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2kk0 h ARG 140 CO -0.03 0.20 0.00 -2.13 -1.07 0.00 0.00 179.97 176.93 2kk0 n ARG 141 N -3.96 0.75 -4.46 0.04 0.63 0.09 -4.81 116.66 104.94 2kk0 n ARG 141 Ca -0.02 0.01 -0.27 0.00 -0.92 0.00 0.00 57.85 56.65 2kk0 n ARG 141 Cb 0.28 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.59 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 -2.13 2.04 0.00 -0.14 2.02 -0.85 -5.01 118.70 114.63 2kk0 s GLU 142 Ca 0.38 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 53.35 2kk0 s GLU 142 Cb 0.19 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.67 2kk0 s GLU 142 CO 0.34 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.96 2kk0 n GLY 143 N -1.05 0.31 3.61 -1.39 0.00 -1.26 -5.00 105.19 100.40 2kk0 n GLY 143 Ca -0.04 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.55 2.18 0.00 1.61 3.00 -1.26 -5.17 118.95 117.76 2kk0 s ARG 144 Ca 0.00 -1.49 0.27 0.00 0.00 0.00 0.00 55.73 54.52 2kk0 s ARG 144 Cb 0.00 -2.09 0.90 0.00 0.00 0.00 0.00 34.95 33.76 2kk0 s ARG 144 CO 0.00 0.35 1.66 2.89 0.00 0.00 0.00 175.30 180.20