#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 -0.31 0.03 3.03 0.00 -1.26 -4.96 107.32 103.85 2kk0 s GLY 2 Ca 0.00 -0.99 0.24 0.00 0.00 0.00 0.00 44.72 43.97 2kk0 s GLY 2 CO 0.00 3.02 1.21 1.42 0.00 0.00 0.00 173.10 178.75 2kk0 n HIS 3 N 3.50 0.14 -3.76 1.90 -0.00 -1.26 -4.90 115.22 110.84 2kk0 n HIS 3 Ca 0.18 0.04 -0.35 0.00 -0.00 0.00 0.00 57.72 57.59 2kk0 n HIS 3 Cb 0.51 -0.31 -0.08 0.00 -0.00 0.00 0.00 29.99 30.10 2kk0 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk0 s HIS 4 N -3.08 3.39 0.07 4.41 4.02 -1.26 -5.06 115.29 117.77 2kk0 s HIS 4 Ca 0.08 0.29 -0.31 0.00 1.02 0.00 0.00 55.06 56.14 2kk0 s HIS 4 Cb 0.16 -2.15 -0.10 0.00 -1.02 0.00 0.00 32.58 29.46 2kk0 s HIS 4 CO 0.76 0.26 1.90 -2.39 1.02 0.00 0.00 174.74 176.30 2kk0 n HIS 5 N 3.55 2.54 0.31 1.40 1.44 -1.26 -4.88 115.22 118.32 2kk0 n HIS 5 Ca -0.16 -0.24 0.16 0.00 -2.01 0.00 0.00 57.72 55.47 2kk0 n HIS 5 Cb 0.52 -2.76 0.70 0.00 0.12 0.00 0.00 29.99 28.57 2kk0 n HIS 5 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kk0 h HIS 6 N 9.54 0.00 -3.01 -1.40 2.76 -1.99 -3.42 115.15 117.63 2kk0 h HIS 6 Ca -0.48 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.12 2kk0 h HIS 6 Cb 1.24 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.15 2kk0 h HIS 6 CO 0.87 0.00 1.14 -1.01 -1.30 0.00 0.00 177.93 177.63 2kk0 s HIS 7 N -3.63 2.19 -0.94 5.26 3.76 -1.26 -4.96 115.29 115.71 2kk0 s HIS 7 Ca 0.01 0.65 -0.14 0.00 -0.15 0.00 0.00 55.06 55.43 2kk0 s HIS 7 Cb 0.09 -4.19 0.20 0.00 1.11 0.00 0.00 32.58 29.79 2kk0 s HIS 7 CO 0.46 -2.40 0.98 -3.38 -0.85 0.00 0.00 174.74 169.55 2kk0 s HIS 8 N 5.82 3.67 -0.55 1.40 -0.00 -1.26 -5.01 115.29 119.35 2kk0 s HIS 8 Ca 0.68 -1.97 -0.23 0.00 -0.00 0.00 0.00 55.06 53.53 2kk0 s HIS 8 Cb -0.18 -3.98 0.05 0.00 -0.00 0.00 0.00 32.58 28.46 2kk0 s HIS 8 CO 0.32 -1.15 0.91 -1.54 -0.00 0.00 0.00 174.74 173.28 2kk0 s SER 9 N 2.45 6.31 -1.06 7.38 1.04 -1.26 -4.99 113.70 123.57 2kk0 s SER 9 Ca 0.26 -0.46 -0.22 0.00 0.48 0.00 0.00 55.95 56.01 2kk0 s SER 9 Cb -0.08 -2.42 0.04 0.00 0.10 0.00 0.00 66.02 63.66 2kk0 s SER 9 CO -0.08 -1.21 1.55 -2.28 0.98 0.00 0.00 173.24 172.20 2kk0 s HIS 10 N 3.82 2.51 0.73 5.02 2.46 -1.26 -5.00 115.29 123.57 2kk0 s HIS 10 Ca 0.28 -0.84 -0.11 0.00 0.47 0.00 0.00 55.06 54.86 2kk0 s HIS 10 Cb -0.14 -4.65 0.03 0.00 -0.13 0.00 0.00 32.58 27.70 2kk0 s HIS 10 CO 0.18 -1.89 1.07 0.00 -2.47 0.00 0.00 174.74 171.63 2kk0 s MET 11 N 5.03 2.63 -0.83 2.88 0.00 -1.26 -4.89 119.30 122.86 2kk0 s MET 11 Ca 0.50 0.99 -0.22 0.00 0.00 0.00 0.00 55.69 56.95 2kk0 s MET 11 Cb 0.00 -1.95 -0.18 0.00 0.00 0.00 0.00 34.83 32.70 2kk0 s MET 11 CO -0.06 -1.33 2.36 -2.30 0.00 0.00 0.00 175.02 173.70 2kk0 n PRO 12 N -3.29 0.44 -0.06 3.16 -0.02 -1.26 -4.72 135.00 129.25 2kk0 n PRO 12 Ca 0.08 -0.65 -0.22 0.00 -2.02 0.00 0.00 63.50 60.69 2kk0 n PRO 12 Cb 0.54 -3.09 -0.12 0.00 -0.02 0.00 0.00 33.50 30.80 2kk0 n PRO 12 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2kk0 h ASP 13 N 12.46 0.15 -4.36 2.55 2.03 -1.97 -3.48 116.42 123.81 2kk0 h ASP 13 Ca 0.00 -0.67 -0.49 0.00 -0.73 0.00 0.00 57.03 55.15 2kk0 h ASP 13 Cb 1.04 -0.05 0.10 0.00 -0.83 0.00 0.00 39.33 39.59 2kk0 h ASP 13 CO 1.15 1.61 0.36 -1.00 -1.03 0.00 0.00 179.24 180.33 2kk0 s HIS 14 N -2.43 2.97 -0.03 4.15 3.76 -1.26 -4.68 115.29 117.76 2kk0 s HIS 14 Ca -0.26 1.09 0.12 0.00 -0.15 0.00 0.00 55.06 55.86 2kk0 s HIS 14 Cb 0.06 -3.14 -0.19 0.00 1.11 0.00 0.00 32.58 30.43 2kk0 s HIS 14 CO 0.66 -1.62 0.24 0.41 -0.85 0.00 0.00 174.74 173.57 2kk0 n GLY 15 N -2.43 -0.57 3.40 -2.22 0.00 -1.26 -4.84 105.19 97.27 2kk0 n GLY 15 Ca 0.07 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2kk0 n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kk0 n ASP 16 N -2.01 3.73 0.00 1.61 5.75 -1.26 -4.71 116.55 119.66 2kk0 n ASP 16 Ca -0.05 -2.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 2kk0 n ASP 16 Cb 0.41 -1.64 0.00 0.00 -1.03 0.00 0.00 41.12 38.86 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 10.29 0.00 -2.86 2.11 8.01 -1.26 -5.07 117.44 128.65 2kk0 n TRP 17 Ca 0.48 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.56 2kk0 n TRP 17 Cb 0.45 -0.09 0.04 0.00 -2.01 0.00 0.00 31.31 29.70 2kk0 n TRP 17 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2kk0 n THR 18 N -2.11 0.00 -3.10 -0.99 -2.24 -1.26 -5.03 114.28 99.55 2kk0 n THR 18 Ca 0.00 -0.99 -0.44 0.00 -2.27 0.00 0.00 64.05 60.35 2kk0 n THR 18 Cb 0.00 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.38 2kk0 n THR 18 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2kk0 s TYR 19 N -1.11 3.78 0.41 4.78 5.04 -1.26 -4.46 117.35 124.53 2kk0 s TYR 19 Ca 0.34 -2.31 0.00 0.00 -2.44 0.00 0.00 57.07 52.66 2kk0 s TYR 19 Cb -0.02 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.16 2kk0 s TYR 19 CO 0.22 -1.22 0.00 -1.91 -1.34 0.00 0.00 175.55 171.29 2kk0 n GLU 20 N 4.55 0.00 -2.37 4.97 4.07 -1.26 -5.04 120.64 125.56 2kk0 n GLU 20 Ca 0.31 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 57.05 2kk0 n GLU 20 Cb 0.42 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.76 2kk0 n GLU 20 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2kk0 s GLU 21 N -2.00 3.24 0.00 5.31 1.03 -1.26 -4.84 118.70 120.17 2kk0 s GLU 21 Ca 0.00 -0.93 -0.02 0.00 0.03 0.00 0.00 54.97 54.06 2kk0 s GLU 21 Cb 0.00 -5.27 -0.07 0.00 -0.80 0.00 0.00 34.13 27.99 2kk0 s GLU 21 CO 0.00 -2.67 2.06 0.00 -1.33 0.00 0.00 175.26 173.32 2kk0 n GLN 22 N 8.81 1.06 -4.02 -4.83 0.00 -1.26 -4.67 117.38 112.46 2kk0 n GLN 22 Ca 0.37 -0.25 -0.29 0.00 0.00 0.00 0.00 57.00 56.83 2kk0 n GLN 22 Cb 0.49 -1.35 -0.02 0.00 0.00 0.00 0.00 30.24 29.37 2kk0 n GLN 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2kk0 n PHE 23 N 1.91 -1.76 0.29 2.61 3.72 -1.26 -4.83 117.46 118.14 2kk0 n PHE 23 Ca 0.11 0.78 0.18 0.00 -0.05 0.00 0.00 57.45 58.47 2kk0 n PHE 23 Cb 0.51 -3.55 0.91 0.00 -0.94 0.00 0.00 39.48 36.41 2kk0 n PHE 23 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2kk0 h LYS 24 N -1.76 0.00 -0.76 -1.08 1.63 -1.94 -2.31 116.57 110.35 2kk0 h LYS 24 Ca -0.61 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.34 2kk0 h LYS 24 Cb 1.38 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.91 2kk0 h LYS 24 CO 0.68 0.00 0.27 0.37 -3.45 0.00 0.00 179.45 177.31 2kk0 h GLN 25 N 0.00 0.37 -0.65 1.90 5.75 -1.93 0.35 115.11 120.90 2kk0 h GLN 25 Ca 0.03 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.58 2kk0 h GLN 25 Cb 0.52 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 2kk0 h GLN 25 CO -0.00 0.25 0.43 -0.07 -2.65 0.00 0.00 178.83 176.79 2kk0 h LEU 26 N 0.38 0.53 0.11 -2.39 3.38 -1.79 0.37 115.31 115.91 2kk0 h LEU 26 Ca 0.42 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 58.10 2kk0 h LEU 26 Cb 0.68 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 41.35 2kk0 h LEU 26 CO -0.44 0.34 -1.26 1.88 0.09 0.00 0.00 178.44 179.04 2kk0 h TYR 27 N 0.60 0.90 -0.46 1.13 -1.99 -1.26 -3.31 116.97 112.58 2kk0 h TYR 27 Ca 0.29 -0.59 0.00 0.00 2.00 0.00 0.00 58.73 60.43 2kk0 h TYR 27 Cb 0.36 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.02 2kk0 h TYR 27 CO -0.00 1.43 0.00 0.39 -0.00 0.00 0.00 178.16 179.98 2kk0 n GLU 28 N -3.74 3.51 0.08 4.88 1.02 -0.06 -3.28 120.64 123.06 2kk0 n GLU 28 Ca -0.13 -2.25 -0.12 0.00 -0.02 0.00 0.00 57.16 54.64 2kk0 n GLU 28 Cb 1.00 -1.92 -0.05 0.00 -0.02 0.00 0.00 31.44 30.45 2kk0 n GLU 28 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kk0 h LEU 29 N 3.02 -0.72 0.00 -4.62 3.38 -0.40 -3.39 115.31 112.58 2kk0 h LEU 29 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2kk0 h LEU 29 Cb 1.39 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 2kk0 h LEU 29 CO 0.28 -0.33 -1.04 -0.90 0.09 0.00 0.00 178.44 176.54 2kk0 n ASP 30 N -5.37 4.10 0.00 -0.43 5.75 -1.26 -5.05 116.55 114.29 2kk0 n ASP 30 Ca -0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 2kk0 n ASP 30 Cb 0.28 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 3.38 1.61 3.72 6.12 0.00 -1.21 -5.09 105.19 113.73 2kk0 n GLY 31 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 7.04 0.56 1.61 -1.08 -1.26 -4.93 116.67 116.60 2kk0 s ASP 32 Ca 0.00 2.15 0.25 0.00 -0.52 0.00 0.00 52.55 54.44 2kk0 s ASP 32 Cb 0.00 -2.59 1.49 0.00 -1.46 0.00 0.00 42.92 40.36 2kk0 s ASP 32 CO 0.00 -0.46 2.07 1.55 0.52 0.00 0.00 175.17 178.85 2kk0 h PRO 33 N 6.20 0.00 0.04 4.34 0.13 -1.98 -1.25 132.00 139.47 2kk0 h PRO 33 Ca -0.43 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.42 2kk0 h PRO 33 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2kk0 h PRO 33 CO 0.80 0.00 -1.51 0.87 -0.23 0.00 0.00 178.00 177.92 2kk0 h LYS 34 N 0.00 0.07 -0.18 0.86 1.79 -2.01 -3.37 116.57 113.74 2kk0 h LYS 34 Ca 0.13 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kk0 h LYS 34 Cb 0.59 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 2kk0 h LYS 34 CO -0.00 0.81 0.10 -0.09 -1.08 0.00 0.00 179.45 179.18 2kk0 h ARG 35 N 0.02 0.25 0.00 3.15 2.43 -1.61 0.22 114.38 118.84 2kk0 h ARG 35 Ca -0.22 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.86 2kk0 h ARG 35 Cb 1.96 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 2kk0 h ARG 35 CO 0.11 0.25 -0.30 1.57 -1.51 0.00 0.00 179.97 180.09 2kk0 h LYS 36 N 0.18 0.00 0.14 0.20 -0.00 -1.73 -2.19 116.57 113.17 2kk0 h LYS 36 Ca 0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 60.43 2kk0 h LYS 36 Cb 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 32.33 2kk0 h LYS 36 CO -0.01 0.30 -1.21 0.93 -0.00 0.00 0.00 179.45 179.46 2kk0 h GLU 37 N 0.00 0.57 -0.69 0.07 5.08 -1.66 -2.16 114.58 115.78 2kk0 h GLU 37 Ca -0.00 -0.80 0.13 0.00 -1.00 0.00 0.00 59.36 57.68 2kk0 h GLU 37 Cb 0.54 0.27 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 2kk0 h GLU 37 CO 0.04 1.36 0.24 0.35 -1.00 0.00 0.00 179.01 180.00 2kk0 h PHE 38 N 0.16 0.40 -0.49 4.33 3.04 -0.75 -0.67 116.94 122.95 2kk0 h PHE 38 Ca -0.19 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.71 2kk0 h PHE 38 Cb 1.90 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 40.32 2kk0 h PHE 38 CO 0.13 0.03 -0.04 -0.07 -2.02 0.00 0.00 178.31 176.34 2kk0 h LEU 39 N 0.38 0.83 0.19 0.59 3.38 -1.41 0.10 115.31 119.37 2kk0 h LEU 39 Ca 0.37 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2kk0 h LEU 39 Cb 0.55 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kk0 h LEU 39 CO -0.40 0.92 -0.09 -0.78 0.09 0.00 0.00 178.44 178.18 2kk0 h ASP 40 N 0.78 -0.22 -0.29 -0.43 1.82 -0.51 -0.27 116.42 117.30 2kk0 h ASP 40 Ca 0.14 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.68 2kk0 h ASP 40 Cb 0.53 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 2kk0 h ASP 40 CO 0.03 -0.15 -0.18 0.44 -1.61 0.00 0.00 179.24 177.76 2kk0 h ASP 41 N -0.26 0.75 0.64 2.28 5.19 -1.16 -2.21 116.42 121.66 2kk0 h ASP 41 Ca -0.03 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.11 2kk0 h ASP 41 Cb 0.20 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2kk0 h ASP 41 CO 0.04 0.93 -0.44 0.25 -3.12 0.00 0.00 179.24 176.91 2kk0 h LEU 42 N 0.66 -1.13 -0.08 1.55 5.85 -0.52 0.17 115.31 121.81 2kk0 h LEU 42 Ca 0.10 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2kk0 h LEU 42 Cb 0.68 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2kk0 h LEU 42 CO 0.05 -0.66 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.20 2kk0 h PHE 43 N -1.03 -0.07 -0.15 1.25 -1.00 -1.09 -1.88 116.94 112.97 2kk0 h PHE 43 Ca -0.08 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.71 2kk0 h PHE 43 Cb 0.85 0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.45 2kk0 h PHE 43 CO -0.14 -0.05 0.09 0.77 -1.61 0.00 0.00 178.31 177.37 2kk0 h SER 44 N -0.02 0.16 0.62 2.17 0.02 -1.36 -0.73 113.55 114.41 2kk0 h SER 44 Ca 0.04 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2kk0 h SER 44 Cb 0.09 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2kk0 h SER 44 CO -0.10 0.12 -0.33 0.15 -1.14 0.00 0.00 176.83 175.53 2kk0 h PHE 45 N 0.19 -0.86 -0.69 3.45 3.57 -0.54 -1.02 116.94 121.04 2kk0 h PHE 45 Ca 0.05 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2kk0 h PHE 45 Cb -0.02 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 2kk0 h PHE 45 CO -0.07 -0.52 0.37 0.00 -2.23 0.00 0.00 178.31 175.86 2kk0 h MET 46 N -0.88 0.96 0.29 1.11 -0.00 -1.35 -2.51 114.93 112.56 2kk0 h MET 46 Ca -0.08 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.70 59.51 2kk0 h MET 46 Cb 0.69 -0.19 -0.02 0.00 -0.00 0.00 0.00 31.60 32.08 2kk0 h MET 46 CO 0.12 0.72 -0.25 0.37 -0.00 0.00 0.00 176.91 177.86 2kk0 h GLN 47 N 0.97 -0.54 -0.11 -0.10 4.15 -0.94 0.92 115.11 119.46 2kk0 h GLN 47 Ca 0.24 0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 2kk0 h GLN 47 Cb 0.04 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2kk0 h GLN 47 CO -0.04 -0.36 -0.13 0.87 -1.93 0.00 0.00 178.83 177.25 2kk0 h LYS 48 N -0.56 0.18 -0.07 1.69 1.57 -0.97 -2.56 116.57 115.85 2kk0 h LYS 48 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kk0 h LYS 48 Cb 0.50 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2kk0 h LYS 48 CO -0.03 0.31 0.00 2.89 -0.57 0.00 0.00 179.45 182.06 2kk0 n ARG 49 N -4.30 1.50 0.00 3.15 1.85 -0.96 -4.89 116.66 113.01 2kk0 n ARG 49 Ca -0.01 -0.74 0.00 0.00 -1.00 0.00 0.00 57.85 56.10 2kk0 n ARG 49 Cb 0.25 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 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 1.07 1.91 2.86 2.89 0.00 -0.96 -5.08 105.19 107.88 2kk0 n GLY 50 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.74 0.64 2.61 -1.32 0.30 -5.02 115.64 110.11 2kk0 s THR 51 Ca 0.00 -0.88 -0.11 0.00 -1.21 0.00 0.00 61.69 59.49 2kk0 s THR 51 Cb 0.00 -0.25 -0.03 0.00 -1.51 0.00 0.00 72.50 70.71 2kk0 s THR 51 CO 0.00 -0.24 1.04 -2.16 -2.21 0.00 0.00 174.62 171.05 2kk0 s PRO 52 N 1.17 3.40 -0.77 7.08 0.04 -1.26 -2.82 135.00 141.84 2kk0 s PRO 52 Ca 0.24 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 61.93 2kk0 s PRO 52 Cb -0.03 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.57 2kk0 s PRO 52 CO -0.07 -0.73 0.97 0.08 0.04 0.00 0.00 177.00 177.29 2kk0 s VAL 53 N -3.08 4.69 -0.11 -0.36 1.01 -1.26 -4.87 120.40 116.43 2kk0 s VAL 53 Ca 0.56 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2kk0 s VAL 53 Cb -0.12 -4.67 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 2kk0 s VAL 53 CO 0.52 -1.38 0.04 0.78 0.00 0.00 0.00 175.10 175.06 2kk0 h ASN 54 N 9.05 0.00 -5.27 3.32 4.21 -2.02 -3.49 115.58 121.38 2kk0 h ASN 54 Ca -0.07 -0.08 -0.20 0.00 1.21 0.00 0.00 56.30 57.16 2kk0 h ASN 54 Cb 1.05 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.10 2kk0 h ASN 54 CO 1.10 0.58 -0.65 0.00 -1.29 0.00 0.00 177.43 177.17 2kk0 s ARG 55 N -1.69 0.97 -0.07 0.81 1.70 -1.26 -5.14 118.95 114.27 2kk0 s ARG 55 Ca -0.03 -1.46 0.04 0.00 -0.47 0.00 0.00 55.73 53.80 2kk0 s ARG 55 Cb 0.00 0.16 -0.02 0.00 -0.57 0.00 0.00 34.95 34.52 2kk0 s ARG 55 CO 0.08 -0.24 -0.19 0.42 -1.08 0.00 0.00 175.30 174.29 2kk0 s ILE 56 N -3.99 2.60 0.13 4.99 1.01 -1.26 -5.10 121.20 119.58 2kk0 s ILE 56 Ca 0.25 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.71 2kk0 s ILE 56 Cb 0.07 -2.00 -0.10 0.00 0.01 0.00 0.00 42.46 40.44 2kk0 s ILE 56 CO 0.03 0.57 1.73 -2.16 0.00 0.00 0.00 174.94 175.11 2kk0 s PRO 57 N -0.30 4.16 -0.27 2.79 0.04 -1.26 -4.94 135.00 135.22 2kk0 s PRO 57 Ca 0.01 2.50 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 2kk0 s PRO 57 Cb -0.13 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 2kk0 s PRO 57 CO 0.03 -0.77 0.35 0.42 0.04 0.00 0.00 177.00 177.07 2kk0 s ILE 58 N 2.20 5.19 -0.01 0.56 -1.09 -1.26 -3.03 121.20 123.76 2kk0 s ILE 58 Ca 0.77 0.51 0.05 0.00 -2.23 0.00 0.00 60.65 59.75 2kk0 s ILE 58 Cb -0.45 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 2kk0 s ILE 58 CO 0.34 0.17 -0.17 -0.32 -1.23 0.00 0.00 174.94 173.73 2kk0 s MET 59 N 2.01 1.35 -1.69 2.79 -2.45 0.30 -4.74 119.30 116.87 2kk0 s MET 59 Ca 0.14 -0.60 -0.02 0.00 -1.25 0.00 0.00 55.69 53.96 2kk0 s MET 59 Cb -0.16 -1.30 0.00 0.00 1.25 0.00 0.00 34.83 34.62 2kk0 s MET 59 CO 0.10 0.36 0.24 0.00 1.05 0.00 0.00 175.02 176.77 2kk0 n ALA 60 N 2.64 -0.77 -0.92 4.11 0.00 -1.26 -1.30 120.51 123.02 2kk0 n ALA 60 Ca -0.15 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kk0 n ALA 60 Cb 0.54 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 -3.42 -0.71 -4.50 0.00 4.76 -1.26 -4.99 118.16 108.04 2kk0 n LYS 61 Ca -0.19 0.18 -0.24 0.00 -2.87 0.00 0.00 58.31 55.18 2kk0 n LYS 61 Cb 0.66 -3.87 -0.10 0.00 -1.84 0.00 0.00 35.03 29.88 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 -0.87 1.79 0.23 1.97 -2.07 -0.42 -4.89 119.66 115.41 2kk0 s GLN 62 Ca 0.00 -2.04 -0.30 0.00 -1.82 0.00 0.00 55.36 51.21 2kk0 s GLN 62 Cb 0.00 -0.91 -0.09 0.00 -1.09 0.00 0.00 33.01 30.92 2kk0 s GLN 62 CO 0.00 -0.27 0.94 0.54 -1.32 0.00 0.00 175.29 175.18 2kk0 s VAL 63 N -3.20 4.10 -0.42 3.63 0.11 -1.26 -0.54 120.40 122.82 2kk0 s VAL 63 Ca 0.31 2.08 -0.28 0.00 -2.93 0.00 0.00 61.98 61.16 2kk0 s VAL 63 Cb 0.07 -4.33 -0.01 0.00 -1.53 0.00 0.00 36.38 30.58 2kk0 s VAL 63 CO 0.14 0.49 1.66 -0.22 -3.33 0.00 0.00 175.10 173.84 2kk0 s LEU 64 N -1.11 3.48 -0.84 2.54 2.96 -1.17 -4.86 118.68 119.69 2kk0 s LEU 64 Ca 0.41 0.91 -0.21 0.00 -0.22 0.00 0.00 54.13 55.03 2kk0 s LEU 64 Cb -0.26 -3.32 -0.19 0.00 0.50 0.00 0.00 46.19 42.92 2kk0 s LEU 64 CO 0.32 -1.74 2.25 0.47 -1.32 0.00 0.00 176.35 176.33 2kk0 n ASP 65 N 10.18 0.77 -0.25 3.68 9.92 -1.26 -4.78 116.55 134.81 2kk0 n ASP 65 Ca 0.20 -1.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.07 2kk0 n ASP 65 Cb 0.48 -1.35 0.12 0.00 -0.64 0.00 0.00 41.12 39.73 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 19.20 0.55 0.04 0.64 3.38 -1.98 0.15 115.31 137.30 2kk0 h LEU 66 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kk0 h LEU 66 Cb 1.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2kk0 h LEU 66 CO 1.15 0.34 -0.05 0.15 0.09 0.00 0.00 178.44 180.12 2kk0 h PHE 67 N 0.68 -0.13 -0.33 1.13 3.57 -1.95 -1.31 116.94 118.60 2kk0 h PHE 67 Ca 0.33 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.67 2kk0 h PHE 67 Cb 0.27 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2kk0 h PHE 67 CO -0.08 -0.08 -0.46 0.52 -2.23 0.00 0.00 178.31 175.98 2kk0 h MET 68 N -0.11 0.89 -0.66 1.11 2.86 -1.90 -2.81 114.93 114.30 2kk0 h MET 68 Ca 0.01 -0.52 0.09 0.00 -2.06 0.00 0.00 59.70 57.22 2kk0 h MET 68 Cb 0.12 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 2kk0 h MET 68 CO -0.02 1.16 0.30 1.25 1.06 0.00 0.00 176.91 180.66 2kk0 h LEU 69 N 0.68 0.36 -0.06 1.22 5.85 -0.61 -0.38 115.31 122.37 2kk0 h LEU 69 Ca 0.04 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2kk0 h LEU 69 Cb 1.06 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2kk0 h LEU 69 CO 0.11 0.21 -0.01 0.22 -0.34 0.00 0.00 178.44 178.63 2kk0 h TYR 70 N 0.52 -0.02 0.62 1.25 3.20 -1.13 -2.54 116.97 118.87 2kk0 h TYR 70 Ca 0.33 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2kk0 h TYR 70 Cb 0.37 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2kk0 h TYR 70 CO -0.13 -0.02 -0.32 0.28 -1.64 0.00 0.00 178.16 176.33 2kk0 h VAL 71 N 0.01 0.35 -0.63 1.81 2.07 -1.15 -1.10 116.25 117.61 2kk0 h VAL 71 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 2kk0 h VAL 71 Cb 0.04 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2kk0 h VAL 71 CO -0.06 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.88 2kk0 h LEU 72 N -0.86 0.42 0.06 2.57 -0.00 -1.09 -1.20 115.31 115.20 2kk0 h LEU 72 Ca -0.08 0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2kk0 h LEU 72 Cb 0.67 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2kk0 h LEU 72 CO 0.12 0.25 -0.36 0.58 -0.00 0.00 0.00 178.44 179.04 2kk0 h VAL 73 N 0.46 1.65 -0.66 1.22 2.07 -1.38 -3.35 116.25 116.27 2kk0 h VAL 73 Ca 0.29 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.42 2kk0 h VAL 73 Cb 0.52 3.23 -0.03 0.00 -1.52 0.00 0.00 31.29 33.48 2kk0 h VAL 73 CO -0.09 0.64 0.32 0.71 0.02 0.00 0.00 177.57 179.17 2kk0 h THR 74 N -0.68 1.22 -0.04 2.57 1.35 -0.80 -2.41 112.91 114.13 2kk0 h THR 74 Ca -0.06 -0.63 0.01 0.00 -0.55 0.00 0.00 66.41 65.18 2kk0 h THR 74 Cb 1.25 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2kk0 h THR 74 CO 0.07 0.26 0.06 1.05 -0.25 0.00 0.00 175.52 176.71 2kk0 h GLU 75 N 0.91 0.00 0.00 4.72 4.11 -1.40 -1.51 114.58 121.41 2kk0 h GLU 75 Ca 0.23 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.54 2kk0 h GLU 75 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2kk0 h GLU 75 CO -0.03 0.00 -0.54 0.87 0.07 0.00 0.00 179.01 179.38 2kk0 h LYS 76 N 0.00 0.00 0.00 1.06 1.79 -1.56 -3.47 116.57 114.39 2kk0 h LYS 76 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2kk0 h LYS 76 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2kk0 h LYS 76 CO -0.00 0.54 0.00 0.41 -1.08 0.00 0.00 179.45 179.32 2kk0 n GLY 77 N 1.12 0.88 0.00 3.86 0.00 -0.57 -4.95 105.19 105.53 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 3.94 0.27 -0.02 0.00 -1.21 -4.75 105.19 103.42 2kk0 n GLY 78 Ca 0.00 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.76 -0.79 0.99 5.85 -1.94 -2.03 115.31 116.64 2kk0 h LEU 79 Ca 0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 2kk0 h LEU 79 Cb 0.00 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2kk0 h LEU 79 CO 0.00 -0.28 0.50 0.58 -0.34 0.00 0.00 178.44 178.90 2kk0 h VAL 80 N -0.28 1.12 -0.36 1.05 2.07 -1.94 -0.40 116.25 117.51 2kk0 h VAL 80 Ca 0.12 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.33 2kk0 h VAL 80 Cb 0.46 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2kk0 h VAL 80 CO -0.35 0.18 0.17 -0.08 0.02 0.00 0.00 177.57 177.51 2kk0 h GLU 81 N 0.98 0.34 -0.71 1.57 4.22 -1.75 0.25 114.58 119.47 2kk0 h GLU 81 Ca 0.31 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.70 2kk0 h GLU 81 Cb 0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2kk0 h GLU 81 CO -0.11 0.22 0.30 0.28 -2.18 0.00 0.00 179.01 177.52 2kk0 h VAL 82 N 0.35 1.24 -0.69 0.32 2.07 -0.88 -0.99 116.25 117.67 2kk0 h VAL 82 Ca 0.16 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2kk0 h VAL 82 Cb 0.08 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2kk0 h VAL 82 CO -0.12 0.30 0.27 0.40 0.02 0.00 0.00 177.57 178.44 2kk0 h ILE 83 N 1.01 1.24 -0.04 4.57 2.04 -0.55 -1.20 117.51 124.57 2kk0 h ILE 83 Ca 0.24 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2kk0 h ILE 83 Cb 0.19 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2kk0 h ILE 83 CO -0.02 0.30 -0.04 0.78 0.00 0.00 0.00 178.15 179.17 2kk0 h ASN 84 N 0.99 0.11 0.88 1.72 2.35 -0.65 -3.28 115.58 117.70 2kk0 h ASN 84 Ca 0.23 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2kk0 h ASN 84 Cb 0.19 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2kk0 h ASN 84 CO -0.02 0.56 0.00 0.29 -1.65 0.00 0.00 177.43 176.61 2kk0 n LYS 85 N -4.78 0.04 -0.99 0.81 5.02 -0.40 -4.90 118.16 112.96 2kk0 n LYS 85 Ca -0.08 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2kk0 n LYS 85 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.48 -1.71 0.00 1.97 4.76 -0.46 -4.82 118.16 116.41 2kk0 n LYS 86 Ca 0.07 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 2kk0 n LYS 86 Cb 0.30 -4.74 0.00 0.00 -1.84 0.00 0.00 35.03 28.76 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 0.00 2.31 0.26 -0.35 -0.00 -1.24 -4.21 117.00 113.76 2kk0 n LEU 87 Ca 0.00 -1.15 0.17 0.00 -0.00 0.00 0.00 56.01 55.03 2kk0 n LEU 87 Cb 0.43 -0.44 0.91 0.00 -0.00 0.00 0.00 43.42 44.32 2kk0 n LEU 87 CO 0.00 0.40 1.03 -0.50 -0.00 0.00 0.00 177.39 178.32 2kk0 h TRP 88 N 0.20 0.00 -0.96 1.47 4.06 -1.88 -1.43 115.95 117.42 2kk0 h TRP 88 Ca 0.00 0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.12 2kk0 h TRP 88 Cb 0.80 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.87 2kk0 h TRP 88 CO 0.00 0.00 0.60 0.07 -3.56 0.00 0.00 178.44 175.55 2kk0 h ARG 89 N 0.00 0.69 -0.01 0.49 0.11 -1.99 0.10 114.38 113.76 2kk0 h ARG 89 Ca 0.00 -0.04 -0.16 0.00 0.10 0.00 0.00 59.98 59.88 2kk0 h ARG 89 Cb 0.08 -0.16 -0.02 0.00 1.11 0.00 0.00 29.97 30.99 2kk0 h ARG 89 CO 0.00 0.46 -0.72 0.93 0.10 0.00 0.00 179.97 180.74 2kk0 h GLU 90 N 0.71 0.08 0.17 0.08 4.39 -1.63 -1.99 114.58 116.39 2kk0 h GLU 90 Ca 0.51 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 2kk0 h GLU 90 Cb 0.84 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2kk0 h GLU 90 CO -0.27 0.76 -0.08 0.82 -1.16 0.00 0.00 179.01 179.08 2kk0 h ILE 91 N 0.05 0.96 -0.25 3.13 1.08 -1.21 0.28 117.51 121.56 2kk0 h ILE 91 Ca -0.01 -0.75 0.03 0.00 -0.39 0.00 0.00 64.86 63.74 2kk0 h ILE 91 Cb 1.27 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 36.39 2kk0 h ILE 91 CO 0.10 0.17 0.04 0.71 -0.69 0.00 0.00 178.15 178.48 2kk0 h THR 92 N -0.60 0.88 -0.75 -0.27 1.35 -1.11 -1.46 112.91 110.95 2kk0 h THR 92 Ca -0.02 -0.05 0.04 0.00 -0.55 0.00 0.00 66.41 65.83 2kk0 h THR 92 Cb 0.45 0.73 -0.04 0.00 -1.73 0.00 0.00 68.15 67.55 2kk0 h THR 92 CO 0.04 0.02 0.49 0.50 -0.25 0.00 0.00 175.52 176.32 2kk0 h LYS 93 N 0.14 0.86 0.00 4.72 1.63 -1.38 0.20 116.57 122.73 2kk0 h LYS 93 Ca 0.11 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 2kk0 h LYS 93 Cb 0.12 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 2kk0 h LYS 93 CO -0.16 0.57 -0.22 0.78 -3.45 0.00 0.00 179.45 176.97 2kk0 h GLY 94 N 0.88 0.00 -1.70 5.01 0.00 -0.12 -1.27 103.07 105.88 2kk0 h GLY 94 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2kk0 h GLY 94 CO -0.09 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.49 2kk0 n LEU 95 N -4.05 2.61 -0.58 3.11 4.77 -0.23 -4.92 117.00 117.71 2kk0 n LEU 95 Ca -0.02 -1.22 -0.08 0.00 -0.03 0.00 0.00 56.01 54.67 2kk0 n LEU 95 Cb 0.29 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2kk0 n LEU 95 CO 0.35 0.61 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.75 2kk0 n ASN 96 N 0.93 -4.90 -4.83 -1.43 4.05 -0.45 -4.99 115.26 103.62 2kk0 n ASN 96 Ca 0.17 0.19 -0.32 0.00 0.45 0.00 0.00 54.58 55.07 2kk0 n ASN 96 Cb 0.44 -3.07 -0.01 0.00 1.23 0.00 0.00 39.78 38.37 2kk0 n ASN 96 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kk0 s LEU 97 N -1.72 3.51 0.24 1.20 1.43 0.52 -4.95 118.68 118.91 2kk0 s LEU 97 Ca 0.00 1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 54.42 2kk0 s LEU 97 Cb 0.00 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.62 2kk0 s LEU 97 CO 0.00 -0.82 1.12 -2.16 0.23 0.00 0.00 176.35 174.72 2kk0 s PRO 98 N -4.27 4.61 0.00 1.29 0.04 -1.26 -4.14 135.00 131.27 2kk0 s PRO 98 Ca 0.60 1.79 0.31 0.00 0.04 0.00 0.00 61.00 63.74 2kk0 s PRO 98 Cb -0.12 -3.22 1.73 0.00 0.04 0.00 0.00 34.50 32.94 2kk0 s PRO 98 CO 0.37 0.13 2.14 -2.37 0.04 0.00 0.00 177.00 177.31 2kk0 n THR 99 N 1.69 0.01 1.43 1.26 5.66 -1.26 -3.30 114.28 119.76 2kk0 n THR 99 Ca 0.01 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.13 2kk0 n THR 99 Cb 0.45 -0.51 0.48 0.00 -1.55 0.00 0.00 70.33 69.20 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 -1.12 1.38 -4.74 1.09 2.88 -1.26 -4.93 113.62 106.92 2kk0 n SER 100 Ca 0.20 -1.57 -0.42 0.00 -1.33 0.00 0.00 58.87 55.76 2kk0 n SER 100 Cb 0.16 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.90 2.72 -0.24 2.46 1.01 -1.21 -4.89 121.20 119.16 2kk0 s ILE 101 Ca 0.35 0.58 -0.31 0.00 0.00 0.00 0.00 60.65 61.27 2kk0 s ILE 101 Cb 0.19 -3.37 -0.08 0.00 0.01 0.00 0.00 42.46 39.21 2kk0 s ILE 101 CO 0.29 0.08 2.17 0.41 0.00 0.00 0.00 174.94 177.89 2kk0 n THR 102 N 2.83 0.33 -3.14 2.92 -1.04 -1.26 -2.26 114.28 112.66 2kk0 n THR 102 Ca 0.09 -0.35 -0.21 0.00 -2.04 0.00 0.00 64.05 61.53 2kk0 n THR 102 Cb 0.40 -2.20 0.01 0.00 -1.82 0.00 0.00 70.33 66.71 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 10.49 -4.36 -0.32 8.00 7.64 -1.26 -4.85 113.62 128.96 2kk0 n SER 103 Ca 0.32 -0.28 0.17 0.00 1.01 0.00 0.00 58.87 60.09 2kk0 n SER 103 Cb 0.36 -3.59 0.37 0.00 -1.01 0.00 0.00 64.21 60.34 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 0.98 1.65 -0.16 -0.43 0.00 -1.83 -0.97 119.26 118.49 2kk0 h ALA 104 Ca -0.44 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2kk0 h ALA 104 Cb 1.30 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2kk0 h ALA 104 CO 0.52 -0.38 -0.07 0.00 0.00 0.00 0.00 179.25 179.32 2kk0 h ALA 105 N 1.75 0.07 -0.41 0.00 0.00 -1.88 0.03 119.26 118.82 2kk0 h ALA 105 Ca 0.62 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.48 2kk0 h ALA 105 Cb 1.25 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2kk0 h ALA 105 CO -0.54 -0.51 -0.22 0.35 0.00 0.00 0.00 179.25 178.33 2kk0 h PHE 106 N -0.05 0.94 0.08 0.00 3.57 -1.59 -1.77 116.94 118.12 2kk0 h PHE 106 Ca 0.09 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 2kk0 h PHE 106 Cb 0.18 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2kk0 h PHE 106 CO -0.21 0.97 -0.04 1.15 -2.23 0.00 0.00 178.31 177.95 2kk0 h THR 107 N 0.72 1.01 -0.85 4.41 2.02 -1.01 -2.33 112.91 116.88 2kk0 h THR 107 Ca 0.10 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2kk0 h THR 107 Cb 0.75 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 2kk0 h THR 107 CO 0.06 0.07 0.50 -0.07 0.37 0.00 0.00 175.52 176.46 2kk0 h LEU 108 N -0.24 1.03 -0.67 2.58 3.38 -0.99 -2.11 115.31 118.30 2kk0 h LEU 108 Ca -0.01 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.02 2kk0 h LEU 108 Cb 0.20 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.59 2kk0 h LEU 108 CO 0.02 0.81 0.13 -0.09 0.09 0.00 0.00 178.44 179.39 2kk0 h ARG 109 N 1.18 0.23 0.22 1.13 2.43 -1.16 -0.37 114.38 118.03 2kk0 h ARG 109 Ca 0.30 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2kk0 h ARG 109 Cb -0.03 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2kk0 h ARG 109 CO -0.06 0.15 -0.10 1.15 -1.51 0.00 0.00 179.97 179.60 2kk0 h THR 110 N 0.24 0.86 -0.58 0.20 2.02 -0.94 -2.87 112.91 111.85 2kk0 h THR 110 Ca 0.36 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 2kk0 h THR 110 Cb 0.59 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 2kk0 h THR 110 CO -0.48 0.15 0.17 1.56 0.37 0.00 0.00 175.52 177.29 2kk0 h GLN 111 N -0.65 0.90 -0.67 6.66 1.08 -1.15 -2.22 115.11 119.06 2kk0 h GLN 111 Ca -0.03 -0.20 0.02 0.00 -1.45 0.00 0.00 58.65 56.99 2kk0 h GLN 111 Cb 0.46 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 2kk0 h GLN 111 CO 0.05 0.81 0.43 -0.92 -0.95 0.00 0.00 178.83 178.25 2kk0 h TYR 112 N 0.81 0.81 -0.55 2.96 5.03 -1.17 -1.56 116.97 123.31 2kk0 h TYR 112 Ca 0.19 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.55 2kk0 h TYR 112 Cb 0.29 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.27 2kk0 h TYR 112 CO 0.02 0.49 0.37 1.98 -1.32 0.00 0.00 178.16 179.69 2kk0 h MET 113 N 0.86 0.61 -0.00 1.82 4.05 -1.21 0.26 114.93 121.32 2kk0 h MET 113 Ca 0.26 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.57 2kk0 h MET 113 Cb -0.04 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 30.63 2kk0 h MET 113 CO -0.08 0.40 -0.26 0.87 0.23 0.00 0.00 176.91 178.07 2kk0 h LYS 114 N 0.63 0.18 0.00 0.39 1.57 -0.81 -3.37 116.57 115.16 2kk0 h LYS 114 Ca 0.22 -0.19 -0.36 0.00 -1.87 0.00 0.00 60.65 58.45 2kk0 h LYS 114 Cb 0.11 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2kk0 h LYS 114 CO -0.06 0.93 -2.07 0.66 -0.57 0.00 0.00 179.45 178.34 2kk0 n TYR 115 N -4.49 0.24 0.03 -1.35 4.02 -0.65 -4.76 117.16 110.19 2kk0 n TYR 115 Ca -0.10 0.10 0.11 0.00 -0.01 0.00 0.00 57.90 58.01 2kk0 n TYR 115 Cb 0.51 -0.96 -0.16 0.00 -0.02 0.00 0.00 39.34 38.71 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 -4.32 0.07 -0.09 7.72 4.77 0.35 -4.40 117.00 121.11 2kk0 n LEU 116 Ca -0.45 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.47 2kk0 n LEU 116 Cb 0.79 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2kk0 n LEU 116 CO 0.08 -0.00 0.85 0.22 -1.33 0.00 0.00 177.39 177.21 2kk0 h TYR 117 N 0.00 -0.02 -0.91 -1.77 3.20 -0.78 0.11 116.97 116.79 2kk0 h TYR 117 Ca 0.00 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.03 2kk0 h TYR 117 Cb 0.98 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 2kk0 h TYR 117 CO 0.00 -0.06 0.58 -1.00 -1.64 0.00 0.00 178.16 176.05 2kk0 h PRO 118 N 0.09 0.75 -0.03 1.82 0.13 -1.80 -0.22 132.00 132.73 2kk0 h PRO 118 Ca 0.15 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 65.07 2kk0 h PRO 118 Cb 0.21 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 2kk0 h PRO 118 CO -0.26 0.50 -0.74 -0.92 -0.23 0.00 0.00 178.00 176.35 2kk0 h TYR 119 N 0.77 0.28 0.30 1.56 3.20 -1.46 -2.39 116.97 119.22 2kk0 h TYR 119 Ca 0.45 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 2kk0 h TYR 119 Cb 0.64 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2kk0 h TYR 119 CO -0.00 0.86 -0.14 1.49 -1.64 0.00 0.00 178.16 178.73 2kk0 h GLU 120 N 0.13 -0.38 -0.05 1.82 4.22 -0.24 -1.81 114.58 118.27 2kk0 h GLU 120 Ca -0.02 0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.41 2kk0 h GLU 120 Cb 1.30 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2kk0 h GLU 120 CO 0.11 -0.09 -0.14 0.00 -2.18 0.00 0.00 179.01 176.71 2kk0 h GLU 122 N 0.07 0.00 0.00 0.00 3.07 -1.56 -3.14 114.58 113.02 2kk0 h GLU 122 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2kk0 h GLU 122 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2kk0 h GLU 122 CO 0.02 0.00 0.00 0.87 -1.40 0.00 0.00 179.01 178.50 2kk0 h LYS 123 N -0.87 0.00 0.00 2.33 1.79 -1.38 -3.39 116.57 115.05 2kk0 h LYS 123 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 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 0.00 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.24 2kk0 n ARG 124 N -2.48 0.00 0.00 3.15 0.00 0.14 -5.03 116.66 112.45 2kk0 n ARG 124 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2kk0 n ARG 124 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.70 2kk0 n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kk0 n GLY 125 N 3.03 0.67 0.13 5.14 0.00 0.92 -4.97 105.19 110.13 2kk0 n GLY 125 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 2kk0 n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kk0 n LEU 126 N 0.00 2.45 -4.74 0.99 4.77 -1.26 -5.01 117.00 114.19 2kk0 n LEU 126 Ca 0.00 0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 2kk0 n LEU 126 Cb 0.00 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 40.15 2kk0 n LEU 126 CO 0.00 0.75 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.61 2kk0 s SER 127 N -7.02 5.19 0.15 -1.43 1.04 -1.26 -4.93 113.70 105.43 2kk0 s SER 127 Ca -0.36 -0.27 0.11 0.00 0.48 0.00 0.00 55.95 55.90 2kk0 s SER 127 Cb 0.12 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.95 2kk0 s SER 127 CO 0.55 0.06 -0.25 0.20 0.98 0.00 0.00 173.24 174.79 2kk0 s ASN 128 N -3.15 3.18 0.47 7.02 0.01 -1.26 -4.76 114.94 116.44 2kk0 s ASN 128 Ca 0.30 -0.78 0.12 0.00 -0.71 0.00 0.00 52.86 51.79 2kk0 s ASN 128 Cb -0.09 -0.21 1.07 0.00 0.41 0.00 0.00 41.25 42.43 2kk0 s ASN 128 CO 0.22 0.13 2.11 1.55 -1.51 0.00 0.00 177.10 179.59 2kk0 h PRO 129 N 3.68 0.26 0.05 -0.60 0.13 -2.00 -0.88 132.00 132.64 2kk0 h PRO 129 Ca -0.48 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kk0 h PRO 129 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kk0 h PRO 129 CO 0.42 0.17 -0.02 -0.91 -0.23 0.00 0.00 178.00 177.43 2kk0 h ASN 130 N 0.27 -0.06 -0.23 1.44 2.35 -2.01 -2.29 115.58 115.05 2kk0 h ASN 130 Ca 0.07 -0.48 -0.02 0.00 -0.55 0.00 0.00 56.30 55.32 2kk0 h ASN 130 Cb -0.03 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2kk0 h ASN 130 CO -0.02 0.47 0.08 1.05 -1.65 0.00 0.00 177.43 177.37 2kk0 h GLU 131 N -0.61 0.42 -0.95 0.81 4.11 -1.96 -2.42 114.58 113.98 2kk0 h GLU 131 Ca -0.01 -0.06 0.05 0.00 0.07 0.00 0.00 59.36 59.41 2kk0 h GLU 131 Cb 0.54 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2kk0 h GLU 131 CO 0.01 0.39 0.61 1.25 0.07 0.00 0.00 179.01 181.34 2kk0 h LEU 132 N 0.42 1.00 -0.72 3.06 5.85 -1.08 -2.56 115.31 121.28 2kk0 h LEU 132 Ca 0.10 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2kk0 h LEU 132 Cb 0.15 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2kk0 h LEU 132 CO -0.01 0.67 0.40 -0.61 -0.34 0.00 0.00 178.44 178.55 2kk0 h GLN 133 N 1.16 0.68 -0.55 1.25 5.75 -0.88 -1.19 115.11 121.32 2kk0 h GLN 133 Ca 0.39 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.73 2kk0 h GLN 133 Cb 0.07 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2kk0 h GLN 133 CO -0.14 0.45 -0.11 0.00 -2.65 0.00 0.00 178.83 176.37 2kk0 h ALA 134 N 1.40 0.76 -0.42 3.38 0.00 -1.52 -1.64 119.26 121.21 2kk0 h ALA 134 Ca 0.34 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2kk0 h ALA 134 Cb 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2kk0 h ALA 134 CO -0.22 0.68 0.19 0.00 0.00 0.00 0.00 179.25 179.90 2kk0 h ALA 135 N 0.93 0.52 -0.42 0.00 0.00 -1.00 0.03 119.26 119.32 2kk0 h ALA 135 Ca 0.14 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2kk0 h ALA 135 Cb 0.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2kk0 h ALA 135 CO 0.05 -0.17 -0.00 0.82 0.00 0.00 0.00 179.25 179.95 2kk0 h ILE 136 N 0.39 1.26 -0.98 0.00 2.04 -1.16 -1.24 117.51 117.83 2kk0 h ILE 136 Ca 0.19 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.05 2kk0 h ILE 136 Cb 0.12 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2kk0 h ILE 136 CO -0.15 0.35 0.64 -0.78 0.00 0.00 0.00 178.15 178.21 2kk0 h ASP 137 N 0.58 1.07 -0.02 1.72 3.58 -1.08 -1.53 116.42 120.75 2kk0 h ASP 137 Ca 0.12 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2kk0 h ASP 137 Cb 0.49 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 2kk0 h ASP 137 CO 0.02 0.74 -0.01 0.28 -2.88 0.00 0.00 179.24 177.40 2kk0 h SER 138 N 1.25 -0.02 0.39 2.28 0.02 -0.67 -2.19 113.55 114.61 2kk0 h SER 138 Ca 0.38 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 2kk0 h SER 138 Cb -0.03 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2kk0 h SER 138 CO -0.12 -0.01 -0.20 0.78 -1.14 0.00 0.00 176.83 176.15 2kk0 h ASN 139 N -0.00 -0.48 0.05 3.07 -0.26 -0.80 0.21 115.58 117.37 2kk0 h ASN 139 Ca 0.01 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 2kk0 h ASN 139 Cb 0.02 0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2kk0 h ASN 139 CO -0.02 -0.33 -0.04 0.08 -1.06 0.00 0.00 177.43 176.05 2kk0 h ARG 140 N -0.54 0.00 0.00 0.81 0.11 -1.32 -0.90 114.38 112.54 2kk0 h ARG 140 Ca -0.05 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.99 2kk0 h ARG 140 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2kk0 h ARG 140 CO 0.08 0.04 -0.34 -0.09 0.10 0.00 0.00 179.97 179.76 2kk0 h ARG 141 N 0.00 0.00 -0.88 0.08 2.43 -1.07 -3.38 114.38 111.56 2kk0 h ARG 141 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2kk0 h ARG 141 Cb 0.08 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2kk0 h ARG 141 CO 0.01 0.45 0.51 0.93 -1.51 0.00 0.00 179.97 180.36 2kk0 h GLU 142 N -1.00 1.21 -1.89 0.20 5.08 -0.56 -3.12 114.58 114.49 2kk0 h GLU 142 Ca -0.06 -0.12 -0.52 0.00 -1.00 0.00 0.00 59.36 57.66 2kk0 h GLU 142 Cb 0.61 -0.25 -0.19 0.00 0.50 0.00 0.00 28.75 29.43 2kk0 h GLU 142 CO -0.04 0.86 0.50 0.41 -1.00 0.00 0.00 179.01 179.74 2kk0 n GLY 143 N -1.22 4.53 3.60 -3.84 0.00 -0.35 -4.90 105.19 103.01 2kk0 n GLY 143 Ca 0.10 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 2kk0 n GLY 143 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kk0 s ARG 144 N -2.12 1.51 0.00 1.61 1.70 -1.18 -4.92 118.95 115.55 2kk0 s ARG 144 Ca 0.55 -1.09 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2kk0 s ARG 144 Cb 0.38 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 35.26 2kk0 s ARG 144 CO -0.21 -0.64 0.37 0.54 -1.08 0.00 0.00 175.30 174.27