#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk0 n GLY 2 N 0.00 0.73 2.76 3.17 0.00 -1.26 -5.03 105.19 105.57 2kk0 n GLY 2 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 2.10 -0.01 1.61 0.09 -1.26 -5.11 115.29 112.71 2kk0 s HIS 3 Ca 0.09 -2.23 -0.30 0.00 -0.00 0.00 0.00 55.06 52.62 2kk0 s HIS 3 Cb 0.10 -1.96 -0.04 0.00 -0.00 0.00 0.00 32.58 30.69 2kk0 s HIS 3 CO -0.04 -0.84 1.12 -3.38 -0.00 0.00 0.00 174.74 171.60 2kk0 s HIS 4 N 0.92 3.42 0.23 1.40 -0.00 -1.26 -5.03 115.29 114.96 2kk0 s HIS 4 Ca 0.14 1.40 -0.17 0.00 -0.00 0.00 0.00 55.06 56.42 2kk0 s HIS 4 Cb -0.21 -3.32 -0.08 0.00 -0.00 0.00 0.00 32.58 28.97 2kk0 s HIS 4 CO -0.11 -0.86 0.69 -1.01 -0.00 0.00 0.00 174.74 173.45 2kk0 s HIS 5 N 1.56 3.57 0.17 0.38 0.09 -1.26 -5.04 115.29 114.77 2kk0 s HIS 5 Ca 0.55 1.28 -0.30 0.00 -0.00 0.00 0.00 55.06 56.59 2kk0 s HIS 5 Cb -0.24 -2.55 -0.08 0.00 -0.00 0.00 0.00 32.58 29.71 2kk0 s HIS 5 CO 0.25 0.29 1.17 -1.01 -0.00 0.00 0.00 174.74 175.44 2kk0 s HIS 6 N -1.63 3.48 -0.06 1.40 0.09 -1.26 -5.05 115.29 112.26 2kk0 s HIS 6 Ca 0.45 1.47 0.06 0.00 -0.00 0.00 0.00 55.06 57.03 2kk0 s HIS 6 Cb -0.15 -3.38 -0.01 0.00 -0.00 0.00 0.00 32.58 29.04 2kk0 s HIS 6 CO 0.20 -1.02 -0.23 -1.01 -0.00 0.00 0.00 174.74 172.67 2kk0 s HIS 7 N -0.04 2.48 0.53 1.40 3.76 -1.26 -5.01 115.29 117.15 2kk0 s HIS 7 Ca 0.52 -0.62 0.18 0.00 -0.15 0.00 0.00 55.06 54.99 2kk0 s HIS 7 Cb -0.31 -1.61 1.33 0.00 1.11 0.00 0.00 32.58 33.09 2kk0 s HIS 7 CO 0.36 -0.15 2.15 0.45 -0.85 0.00 0.00 174.74 176.70 2kk0 h HIS 8 N 5.96 0.00 -5.96 1.40 -0.00 -1.97 -3.44 115.15 111.14 2kk0 h HIS 8 Ca -0.34 0.00 -0.40 0.00 -0.00 0.00 0.00 60.37 59.62 2kk0 h HIS 8 Cb 1.17 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 28.67 2kk0 h HIS 8 CO 0.44 0.00 -0.76 0.43 -0.00 0.00 0.00 177.93 178.04 2kk0 n SER 9 N -4.47 -3.54 -0.22 2.45 7.64 -1.26 -4.84 113.62 109.38 2kk0 n SER 9 Ca -0.02 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2kk0 n SER 9 Cb 0.12 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 2kk0 n SER 9 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2kk0 n HIS 10 N -4.52 0.00 -1.59 1.43 -0.00 -1.26 -4.84 115.22 104.43 2kk0 n HIS 10 Ca -0.14 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.59 2kk0 n HIS 10 Cb 0.61 -0.03 -0.02 0.00 -0.12 0.00 0.00 29.99 30.43 2kk0 n HIS 10 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2kk0 n MET 11 N -0.23 1.38 -1.55 1.57 2.81 -1.26 -4.81 117.12 115.03 2kk0 n MET 11 Ca 0.00 0.49 -0.38 0.00 -1.81 0.00 0.00 57.70 55.99 2kk0 n MET 11 Cb 0.09 -1.87 -0.04 0.00 -0.71 0.00 0.00 33.22 30.69 2kk0 n MET 11 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2kk0 n PRO 12 N 0.77 1.14 -1.74 0.03 -0.04 -1.26 -4.89 135.00 129.00 2kk0 n PRO 12 Ca 0.10 0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 2kk0 n PRO 12 Cb 0.32 -3.27 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 2kk0 n PRO 12 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kk0 s ASP 13 N 11.23 5.56 0.14 3.54 1.11 -1.26 -4.96 116.67 132.02 2kk0 s ASP 13 Ca 1.01 1.64 -0.24 0.00 0.18 0.00 0.00 52.55 55.15 2kk0 s ASP 13 Cb -0.29 -2.52 -0.08 0.00 1.07 0.00 0.00 42.92 41.11 2kk0 s ASP 13 CO 0.30 -1.92 0.72 -1.00 1.18 0.00 0.00 175.17 174.45 2kk0 s HIS 14 N 7.98 3.88 0.00 4.23 3.76 -1.26 -4.70 115.29 129.18 2kk0 s HIS 14 Ca 0.93 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 57.37 2kk0 s HIS 14 Cb -0.29 -2.69 0.00 0.00 1.11 0.00 0.00 32.58 30.71 2kk0 s HIS 14 CO 0.34 0.53 0.00 0.41 -0.85 0.00 0.00 174.74 175.17 2kk0 n GLY 15 N 1.65 -0.82 0.88 -2.22 0.00 -1.26 -4.79 105.19 98.65 2kk0 n GLY 15 Ca -0.07 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 2.45 0.00 1.61 5.75 -1.26 -3.68 116.55 121.41 2kk0 n ASP 16 Ca 0.00 -1.94 0.10 0.00 -0.01 0.00 0.00 54.79 52.94 2kk0 n ASP 16 Cb 0.00 -0.48 -0.14 0.00 -1.03 0.00 0.00 41.12 39.46 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 0.40 0.15 -4.03 2.11 7.02 -1.26 -4.99 117.44 116.84 2kk0 n TRP 17 Ca 0.00 0.04 -0.28 0.00 -1.02 0.00 0.00 57.50 56.24 2kk0 n TRP 17 Cb 0.43 -0.60 -0.05 0.00 -2.42 0.00 0.00 31.31 28.66 2kk0 n TRP 17 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2kk0 s THR 18 N -3.43 4.73 -0.29 -0.99 -1.32 -1.24 -5.10 115.64 108.00 2kk0 s THR 18 Ca -0.07 -0.85 0.02 0.00 -1.21 0.00 0.00 61.69 59.58 2kk0 s THR 18 Cb 0.13 -3.37 0.08 0.00 -1.51 0.00 0.00 72.50 67.83 2kk0 s THR 18 CO 0.89 -0.01 -0.01 -0.31 -2.21 0.00 0.00 174.62 172.97 2kk0 s TYR 19 N -1.61 2.95 0.06 9.09 2.02 -1.26 -4.98 117.35 123.62 2kk0 s TYR 19 Ca 0.31 -2.31 0.00 0.00 -0.37 0.00 0.00 57.07 54.70 2kk0 s TYR 19 Cb -0.11 -2.15 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 2kk0 s TYR 19 CO 0.24 -0.87 0.00 -0.85 -1.57 0.00 0.00 175.55 172.50 2kk0 n GLU 20 N 4.50 0.00 0.02 -0.62 -0.00 -1.26 -5.10 120.64 118.18 2kk0 n GLU 20 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.11 2kk0 n GLU 20 Cb 0.43 -0.33 0.00 0.00 -0.00 0.00 0.00 31.44 31.53 2kk0 n GLU 20 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2kk0 n GLU 21 N -3.06 0.00 -3.15 3.44 4.07 -1.26 -5.12 120.64 115.56 2kk0 n GLU 21 Ca 0.00 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.16 2kk0 n GLU 21 Cb 0.22 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.59 2kk0 n GLU 21 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2kk0 s GLN 22 N -1.85 0.13 -0.81 5.31 -0.44 -1.26 -5.09 119.66 115.64 2kk0 s GLN 22 Ca 0.00 0.21 -0.23 0.00 -2.50 0.00 0.00 55.36 52.84 2kk0 s GLN 22 Cb 0.00 0.11 -0.18 0.00 -1.64 0.00 0.00 33.01 31.31 2kk0 s GLN 22 CO 0.00 -0.16 2.37 0.34 0.50 0.00 0.00 175.29 178.35 2kk0 n PHE 23 N 5.41 0.93 0.32 1.67 7.35 -1.26 -4.75 117.46 127.12 2kk0 n PHE 23 Ca -0.05 0.02 0.15 0.00 -0.76 0.00 0.00 57.45 56.81 2kk0 n PHE 23 Cb 0.55 -2.17 0.57 0.00 0.35 0.00 0.00 39.48 38.78 2kk0 n PHE 23 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2kk0 h LYS 24 N 13.12 0.00 -1.00 -4.13 1.63 -2.03 -3.30 116.57 120.86 2kk0 h LYS 24 Ca -0.02 0.00 0.22 0.00 -0.85 0.00 0.00 60.65 59.99 2kk0 h LYS 24 Cb 1.07 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.59 2kk0 h LYS 24 CO 1.17 0.00 0.61 0.37 -3.45 0.00 0.00 179.45 178.15 2kk0 h GLN 25 N 0.00 0.63 -0.69 1.90 5.75 -1.92 -0.57 115.11 120.21 2kk0 h GLN 25 Ca 0.00 -0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.57 2kk0 h GLN 25 Cb 0.55 -0.14 -0.08 0.00 1.07 0.00 0.00 27.48 28.88 2kk0 h GLN 25 CO 0.00 0.42 0.29 -0.07 -2.65 0.00 0.00 178.83 176.82 2kk0 h LEU 26 N 0.65 0.32 -0.04 -2.39 3.38 -1.97 0.27 115.31 115.52 2kk0 h LEU 26 Ca 0.59 0.08 -0.19 0.00 0.09 0.00 0.00 57.88 58.45 2kk0 h LEU 26 Cb 1.08 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.88 2kk0 h LEU 26 CO -0.38 0.17 -0.73 1.88 0.09 0.00 0.00 178.44 179.47 2kk0 h TYR 27 N 0.49 0.82 -0.47 1.13 -1.99 -1.41 -3.29 116.97 112.24 2kk0 h TYR 27 Ca 0.35 -0.41 -0.10 0.00 2.00 0.00 0.00 58.73 60.57 2kk0 h TYR 27 Cb 0.45 -0.11 -0.06 0.00 2.00 0.00 0.00 36.73 39.01 2kk0 h TYR 27 CO -0.15 1.23 0.12 0.39 -0.00 0.00 0.00 178.16 179.76 2kk0 n GLU 28 N -4.08 3.14 0.12 4.88 1.02 -0.75 -2.96 120.64 122.01 2kk0 n GLU 28 Ca -0.10 -2.10 -0.13 0.00 -0.02 0.00 0.00 57.16 54.82 2kk0 n GLU 28 Cb 0.72 -1.96 -0.07 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 2.22 -0.33 0.00 -4.62 3.38 -0.56 -3.38 115.31 112.02 2kk0 h LEU 29 Ca 0.12 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 2kk0 h LEU 29 Cb 1.71 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.54 2kk0 h LEU 29 CO 0.45 -0.20 -1.82 0.47 0.09 0.00 0.00 178.44 177.43 2kk0 n ASP 30 N -5.25 2.80 0.00 -0.43 8.00 -1.26 -5.01 116.55 115.40 2kk0 n ASP 30 Ca -0.08 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2kk0 n ASP 30 Cb 0.17 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kk0 n GLY 31 N 2.75 0.72 3.76 0.44 0.00 -1.15 -5.05 105.19 106.65 2kk0 n GLY 31 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.35 6.70 0.19 1.61 2.15 -1.26 -4.92 116.67 118.78 2kk0 s ASP 32 Ca 0.00 2.69 -0.16 0.00 0.43 0.00 0.00 52.55 55.50 2kk0 s ASP 32 Cb 0.00 -2.64 0.17 0.00 -0.30 0.00 0.00 42.92 40.15 2kk0 s ASP 32 CO 0.00 -0.63 1.63 1.55 -0.17 0.00 0.00 175.17 177.54 2kk0 h PRO 33 N 4.22 -0.06 0.00 4.34 0.13 -1.97 -0.28 132.00 138.38 2kk0 h PRO 33 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2kk0 h PRO 33 Cb 1.22 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kk0 h PRO 33 CO 0.72 -0.04 -0.14 0.87 -0.23 0.00 0.00 178.00 179.17 2kk0 h LYS 34 N -0.06 0.00 0.23 0.86 1.79 -1.99 -1.73 116.57 115.67 2kk0 h LYS 34 Ca 0.25 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.71 2kk0 h LYS 34 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2kk0 h LYS 34 CO -0.58 0.14 -0.11 -0.09 -1.08 0.00 0.00 179.45 177.73 2kk0 h ARG 35 N 0.00 -0.30 -0.08 3.15 2.43 -1.43 -1.79 114.38 116.37 2kk0 h ARG 35 Ca -0.00 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 2kk0 h ARG 35 Cb 0.33 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2kk0 h ARG 35 CO 0.02 0.04 -0.63 1.57 -1.51 0.00 0.00 179.97 179.46 2kk0 h LYS 36 N -0.69 0.30 -0.14 0.20 -0.00 -1.39 -2.49 116.57 112.36 2kk0 h LYS 36 Ca -0.03 -0.21 0.02 0.00 -0.00 0.00 0.00 60.65 60.43 2kk0 h LYS 36 Cb 0.48 0.03 -0.02 0.00 -0.00 0.00 0.00 32.23 32.72 2kk0 h LYS 36 CO 0.05 0.83 0.00 0.93 -0.00 0.00 0.00 179.45 181.26 2kk0 h GLU 37 N 0.22 0.05 0.25 0.07 5.08 -1.37 0.14 114.58 119.02 2kk0 h GLU 37 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kk0 h GLU 37 Cb 1.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2kk0 h GLU 37 CO 0.10 0.03 -0.23 0.35 -1.00 0.00 0.00 179.01 178.26 2kk0 h PHE 38 N 0.05 -0.62 -0.15 4.33 3.57 -1.25 -1.56 116.94 121.31 2kk0 h PHE 38 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2kk0 h PHE 38 Cb 0.08 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2kk0 h PHE 38 CO -0.15 -0.35 0.05 -0.07 -2.23 0.00 0.00 178.31 175.56 2kk0 h LEU 39 N -0.51 0.21 -0.43 0.59 3.38 -1.34 0.34 115.31 117.55 2kk0 h LEU 39 Ca -0.01 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2kk0 h LEU 39 Cb 0.47 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2kk0 h LEU 39 CO -0.04 0.35 0.25 -0.78 0.09 0.00 0.00 178.44 178.31 2kk0 h ASP 40 N 0.06 0.40 -0.18 -0.43 3.58 -0.74 0.57 116.42 119.68 2kk0 h ASP 40 Ca 0.05 0.01 -0.17 0.00 0.42 0.00 0.00 57.03 57.33 2kk0 h ASP 40 Cb 0.21 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2kk0 h ASP 40 CO -0.00 0.28 -0.51 -0.78 -2.88 0.00 0.00 179.24 175.35 2kk0 h ASP 41 N 0.50 0.84 0.86 2.28 3.58 -1.22 -2.68 116.42 120.59 2kk0 h ASP 41 Ca 0.17 -0.43 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 2kk0 h ASP 41 Cb 0.02 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 40.84 2kk0 h ASP 41 CO -0.09 1.20 -0.43 0.25 -2.88 0.00 0.00 179.24 177.30 2kk0 h LEU 42 N 0.59 -1.01 -0.57 2.28 5.85 0.04 0.14 115.31 122.62 2kk0 h LEU 42 Ca 0.02 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2kk0 h LEU 42 Cb 1.09 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 2kk0 h LEU 42 CO 0.11 -0.71 0.21 -0.26 -0.34 0.00 0.00 178.44 177.44 2kk0 h PHE 43 N -1.17 0.36 -0.34 1.25 -1.00 -0.98 0.03 116.94 115.10 2kk0 h PHE 43 Ca -0.12 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.69 2kk0 h PHE 43 Cb 0.90 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.37 2kk0 h PHE 43 CO -0.02 0.09 0.20 0.77 -1.61 0.00 0.00 178.31 177.74 2kk0 h SER 44 N 0.38 0.41 0.53 2.17 0.02 -1.42 0.48 113.55 116.12 2kk0 h SER 44 Ca 0.29 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2kk0 h SER 44 Cb 0.34 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2kk0 h SER 44 CO -0.29 0.34 -0.28 0.15 -1.14 0.00 0.00 176.83 175.61 2kk0 h PHE 45 N 0.44 -0.73 -0.45 3.45 3.57 0.17 -1.22 116.94 122.17 2kk0 h PHE 45 Ca 0.12 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2kk0 h PHE 45 Cb 0.01 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2kk0 h PHE 45 CO -0.04 -0.44 -0.05 0.00 -2.23 0.00 0.00 178.31 175.55 2kk0 h MET 46 N -0.75 0.77 0.36 1.11 -0.00 -1.04 -2.48 114.93 112.90 2kk0 h MET 46 Ca -0.07 -0.23 -0.01 0.00 -0.00 0.00 0.00 59.70 59.39 2kk0 h MET 46 Cb 0.59 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.10 2kk0 h MET 46 CO 0.10 0.81 -0.24 0.37 -0.00 0.00 0.00 176.91 177.95 2kk0 h GLN 47 N 0.71 -0.57 -0.08 -0.10 4.15 -0.75 0.10 115.11 118.58 2kk0 h GLN 47 Ca 0.13 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 2kk0 h GLN 47 Cb 0.51 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 2kk0 h GLN 47 CO 0.03 -0.38 -0.20 0.87 -1.93 0.00 0.00 178.83 177.22 2kk0 h LYS 48 N -0.59 0.13 0.00 1.69 1.57 -1.18 -1.76 116.57 116.43 2kk0 h LYS 48 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2kk0 h LYS 48 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2kk0 h LYS 48 CO 0.02 0.33 0.00 2.89 -0.57 0.00 0.00 179.45 182.12 2kk0 n ARG 49 N -4.25 0.66 0.00 3.15 1.85 -0.94 -4.87 116.66 112.25 2kk0 n ARG 49 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2kk0 n ARG 49 Cb 0.29 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 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 1.32 2.80 2.89 0.00 -0.66 -5.08 105.19 107.47 2kk0 n GLY 50 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.42 0.63 2.61 -1.32 0.33 -5.01 115.64 110.45 2kk0 s THR 51 Ca 0.00 -0.97 -0.05 0.00 -1.21 0.00 0.00 61.69 59.46 2kk0 s THR 51 Cb 0.00 -0.56 0.03 0.00 -1.51 0.00 0.00 72.50 70.46 2kk0 s THR 51 CO 0.00 -0.51 0.92 -2.16 -2.21 0.00 0.00 174.62 170.66 2kk0 s PRO 52 N 1.34 2.56 -0.46 7.08 0.04 -1.25 -3.37 135.00 140.94 2kk0 s PRO 52 Ca 0.19 -0.24 -0.22 0.00 0.04 0.00 0.00 61.00 60.77 2kk0 s PRO 52 Cb -0.11 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.19 2kk0 s PRO 52 CO -0.04 -0.92 0.75 0.08 0.04 0.00 0.00 177.00 176.92 2kk0 s VAL 53 N -3.05 4.68 -0.10 -0.36 1.01 -1.26 -4.94 120.40 116.38 2kk0 s VAL 53 Ca 0.57 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.58 2kk0 s VAL 53 Cb -0.11 -4.32 -0.19 0.00 0.00 0.00 0.00 36.38 31.77 2kk0 s VAL 53 CO 0.44 -0.74 0.71 -1.13 0.00 0.00 0.00 175.10 174.37 2kk0 h ASN 54 N 9.00 -0.04 -5.10 3.32 -1.24 -2.04 -3.48 115.58 116.00 2kk0 h ASN 54 Ca -0.25 -0.64 -0.13 0.00 0.71 0.00 0.00 56.30 55.99 2kk0 h ASN 54 Cb 1.09 0.01 -0.17 0.00 0.73 0.00 0.00 38.32 39.97 2kk0 h ASN 54 CO 0.96 0.73 -0.56 0.00 -1.29 0.00 0.00 177.43 177.27 2kk0 s ARG 55 N -2.56 0.57 0.05 6.67 1.70 -1.26 -5.14 118.95 118.99 2kk0 s ARG 55 Ca -0.14 -0.82 -0.21 0.00 -0.47 0.00 0.00 55.73 54.09 2kk0 s ARG 55 Cb -0.01 0.22 -0.06 0.00 -0.57 0.00 0.00 34.95 34.53 2kk0 s ARG 55 CO 0.52 -0.14 0.64 0.42 -1.08 0.00 0.00 175.30 175.67 2kk0 s ILE 56 N -2.74 4.75 0.14 4.99 1.01 -1.26 -5.06 121.20 123.03 2kk0 s ILE 56 Ca -0.04 1.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.67 2kk0 s ILE 56 Cb -0.00 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 2kk0 s ILE 56 CO -0.05 0.47 1.22 -2.16 0.00 0.00 0.00 174.94 174.42 2kk0 s PRO 57 N -0.61 4.45 -0.17 2.79 0.04 -1.26 -4.45 135.00 135.79 2kk0 s PRO 57 Ca 0.32 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 63.17 2kk0 s PRO 57 Cb -0.20 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 2kk0 s PRO 57 CO 0.20 -0.18 0.01 0.42 0.04 0.00 0.00 177.00 177.49 2kk0 s ILE 58 N 0.41 4.27 -0.03 0.56 -1.09 -1.26 -3.10 121.20 120.96 2kk0 s ILE 58 Ca 0.56 -0.22 0.05 0.00 -2.23 0.00 0.00 60.65 58.81 2kk0 s ILE 58 Cb -0.32 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 2kk0 s ILE 58 CO 0.34 0.47 -0.17 -0.32 -1.23 0.00 0.00 174.94 174.03 2kk0 s MET 59 N 0.43 1.56 -1.41 2.79 -2.45 -0.35 -4.76 119.30 115.11 2kk0 s MET 59 Ca -0.01 -0.62 -0.01 0.00 -1.25 0.00 0.00 55.69 53.81 2kk0 s MET 59 Cb -0.13 -1.44 0.00 0.00 1.25 0.00 0.00 34.83 34.51 2kk0 s MET 59 CO 0.02 0.32 0.04 0.00 1.05 0.00 0.00 175.02 176.45 2kk0 n ALA 60 N 2.85 -0.73 -1.15 4.11 0.00 -1.26 -0.76 120.51 123.58 2kk0 n ALA 60 Ca -0.16 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 2kk0 n ALA 60 Cb 0.54 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.99 -1.03 -4.37 0.00 4.76 -1.26 -5.00 118.16 108.28 2kk0 n LYS 61 Ca -0.19 0.55 -0.19 0.00 -2.87 0.00 0.00 58.31 55.62 2kk0 n LYS 61 Cb 0.64 -4.48 -0.10 0.00 -1.84 0.00 0.00 35.03 29.25 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 -1.93 1.39 0.18 1.97 -2.07 0.06 -4.74 119.66 114.53 2kk0 s GLN 62 Ca 0.00 -1.67 -0.30 0.00 -1.82 0.00 0.00 55.36 51.57 2kk0 s GLN 62 Cb 0.00 -1.01 -0.08 0.00 -1.09 0.00 0.00 33.01 30.83 2kk0 s GLN 62 CO 0.00 0.07 1.30 0.54 -1.32 0.00 0.00 175.29 175.88 2kk0 s VAL 63 N -3.09 3.32 -0.23 3.63 0.11 -1.26 -1.21 120.40 121.67 2kk0 s VAL 63 Ca 0.26 1.06 -0.29 0.00 -2.93 0.00 0.00 61.98 60.08 2kk0 s VAL 63 Cb 0.02 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.17 2kk0 s VAL 63 CO 0.09 0.15 1.55 -0.22 -3.33 0.00 0.00 175.10 173.33 2kk0 s LEU 64 N 0.09 3.90 -1.15 2.54 2.96 -1.18 -4.85 118.68 120.99 2kk0 s LEU 64 Ca 0.57 1.54 -0.23 0.00 -0.22 0.00 0.00 54.13 55.79 2kk0 s LEU 64 Cb -0.36 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.71 2kk0 s LEU 64 CO 0.36 -1.22 1.94 -1.81 -1.32 0.00 0.00 176.35 174.31 2kk0 s ASP 65 N 3.92 4.98 0.25 3.68 1.11 -1.26 -4.80 116.67 124.55 2kk0 s ASP 65 Ca 0.68 -1.51 -0.04 0.00 0.18 0.00 0.00 52.55 51.86 2kk0 s ASP 65 Cb -0.23 -2.59 0.49 0.00 1.07 0.00 0.00 42.92 41.66 2kk0 s ASP 65 CO 0.28 -3.10 1.70 -0.07 1.18 0.00 0.00 175.17 175.16 2kk0 h LEU 66 N 17.94 0.12 -0.30 1.23 3.38 -1.94 0.72 115.31 136.46 2kk0 h LEU 66 Ca 0.19 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.35 2kk0 h LEU 66 Cb 0.95 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2kk0 h LEU 66 CO 1.21 0.01 0.05 0.15 0.09 0.00 0.00 178.44 179.95 2kk0 h PHE 67 N 0.33 0.08 -0.47 1.13 3.57 -1.92 -0.98 116.94 118.69 2kk0 h PHE 67 Ca 0.43 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.85 2kk0 h PHE 67 Cb 0.72 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2kk0 h PHE 67 CO -0.22 0.01 -0.10 0.52 -2.23 0.00 0.00 178.31 176.29 2kk0 h MET 68 N 0.16 0.90 -0.59 1.11 2.86 -1.59 -1.73 114.93 116.05 2kk0 h MET 68 Ca 0.14 -0.34 0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2kk0 h MET 68 Cb 0.16 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2kk0 h MET 68 CO -0.20 0.99 0.25 1.25 1.06 0.00 0.00 176.91 180.27 2kk0 h LEU 69 N 0.75 0.30 0.19 1.22 5.85 -0.63 -0.16 115.31 122.82 2kk0 h LEU 69 Ca 0.12 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2kk0 h LEU 69 Cb 0.65 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2kk0 h LEU 69 CO 0.04 0.19 -0.09 0.22 -0.34 0.00 0.00 178.44 178.46 2kk0 h TYR 70 N 0.46 -0.23 -0.30 1.25 3.20 -0.98 -1.72 116.97 118.64 2kk0 h TYR 70 Ca 0.29 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.21 2kk0 h TYR 70 Cb 0.30 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 2kk0 h TYR 70 CO -0.14 -0.07 -0.04 0.28 -1.64 0.00 0.00 178.16 176.55 2kk0 h VAL 71 N -0.34 0.74 0.43 1.81 2.07 -0.91 -1.01 116.25 119.05 2kk0 h VAL 71 Ca -0.03 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2kk0 h VAL 71 Cb 0.26 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2kk0 h VAL 71 CO 0.04 0.01 -0.21 -0.07 0.02 0.00 0.00 177.57 177.36 2kk0 h LEU 72 N 0.04 -0.49 -1.08 2.57 -0.00 -1.04 -1.89 115.31 113.43 2kk0 h LEU 72 Ca 0.14 -0.06 0.04 0.00 -0.00 0.00 0.00 57.88 58.00 2kk0 h LEU 72 Cb 0.20 0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 40.93 2kk0 h LEU 72 CO -0.27 -0.23 0.62 0.58 -0.00 0.00 0.00 178.44 179.14 2kk0 h VAL 73 N -0.73 1.14 -0.32 1.22 2.07 -1.22 -1.58 116.25 116.82 2kk0 h VAL 73 Ca -0.06 -0.40 -0.18 0.00 0.82 0.00 0.00 66.70 66.88 2kk0 h VAL 73 Cb 0.52 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2kk0 h VAL 73 CO 0.10 0.21 -0.49 0.71 0.02 0.00 0.00 177.57 178.12 2kk0 h THR 74 N 1.17 1.27 0.00 2.57 1.35 -1.17 -0.74 112.91 117.36 2kk0 h THR 74 Ca 0.39 -1.67 -0.06 0.00 -0.55 0.00 0.00 66.41 64.52 2kk0 h THR 74 Cb 0.06 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2kk0 h THR 74 CO -0.13 0.55 -0.29 1.05 -0.25 0.00 0.00 175.52 176.45 2kk0 h GLU 75 N 0.70 0.00 0.00 4.72 4.11 -0.97 -2.49 114.58 120.65 2kk0 h GLU 75 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2kk0 h GLU 75 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kk0 h GLU 75 CO 0.11 0.29 0.00 1.63 0.07 0.00 0.00 179.01 181.11 2kk0 n LYS 76 N -3.63 0.02 0.00 1.06 4.76 -0.63 -4.90 118.16 114.84 2kk0 n LYS 76 Ca -0.01 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2kk0 n LYS 76 Cb 0.41 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 2kk0 n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kk0 n GLY 77 N 1.34 1.20 0.00 0.72 0.00 -0.94 -4.72 105.19 102.79 2kk0 n GLY 77 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2kk0 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kk0 n GLY 78 N 0.00 2.92 0.43 -0.02 0.00 -0.29 -4.63 105.19 103.59 2kk0 n GLY 78 Ca 0.00 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.26 -0.73 0.99 5.85 -1.91 -0.44 115.31 117.80 2kk0 h LEU 79 Ca 0.00 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2kk0 h LEU 79 Cb 0.00 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2kk0 h LEU 79 CO 0.00 -0.52 0.14 0.58 -0.34 0.00 0.00 178.44 178.30 2kk0 h VAL 80 N -0.72 1.26 -0.78 1.05 2.07 -1.92 -1.72 116.25 115.49 2kk0 h VAL 80 Ca 0.00 -1.00 0.09 0.00 0.82 0.00 0.00 66.70 66.62 2kk0 h VAL 80 Cb 0.71 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 2kk0 h VAL 80 CO -0.21 0.38 0.43 -0.08 0.02 0.00 0.00 177.57 178.11 2kk0 h GLU 81 N 1.04 0.71 -0.46 1.57 4.57 -1.74 0.14 114.58 120.41 2kk0 h GLU 81 Ca 0.21 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 2kk0 h GLU 81 Cb 0.40 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2kk0 h GLU 81 CO 0.01 0.47 0.09 0.28 -1.18 0.00 0.00 179.01 178.68 2kk0 h VAL 82 N 0.73 1.24 -0.47 0.32 2.07 -0.66 0.15 116.25 119.64 2kk0 h VAL 82 Ca 0.38 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2kk0 h VAL 82 Cb 0.35 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2kk0 h VAL 82 CO -0.25 0.31 0.17 0.40 0.02 0.00 0.00 177.57 178.22 2kk0 h ILE 83 N 0.63 1.18 0.04 4.57 2.04 -0.40 0.22 117.51 125.79 2kk0 h ILE 83 Ca 0.14 -0.58 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 2kk0 h ILE 83 Cb 0.36 0.64 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2kk0 h ILE 83 CO 0.01 0.22 -0.53 0.78 0.00 0.00 0.00 178.15 178.63 2kk0 h ASN 84 N 0.67 0.40 0.94 1.72 2.35 -0.59 -3.27 115.58 117.80 2kk0 h ASN 84 Ca 0.16 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 2kk0 h ASN 84 Cb 0.16 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2kk0 h ASN 84 CO -0.01 1.19 0.00 0.29 -1.65 0.00 0.00 177.43 177.25 2kk0 n LYS 85 N -4.29 0.05 -1.08 0.81 5.02 0.03 -4.90 118.16 113.80 2kk0 n LYS 85 Ca -0.11 0.12 -0.03 0.00 -2.02 0.00 0.00 58.31 56.27 2kk0 n LYS 85 Cb 0.66 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.67 -1.45 -0.35 1.97 4.76 0.75 -4.85 118.16 117.31 2kk0 n LYS 86 Ca 0.06 0.50 -0.02 0.00 -2.87 0.00 0.00 58.31 55.97 2kk0 n LYS 86 Cb 0.31 -4.65 0.01 0.00 -1.84 0.00 0.00 35.03 28.85 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 -0.32 4.52 0.33 -0.35 -0.00 -1.20 -4.17 117.00 115.81 2kk0 n LEU 87 Ca -0.03 -2.16 0.21 0.00 -0.00 0.00 0.00 56.01 54.04 2kk0 n LEU 87 Cb 0.41 -0.85 1.14 0.00 -0.00 0.00 0.00 43.42 44.12 2kk0 n LEU 87 CO 0.04 0.82 1.16 -0.50 -0.00 0.00 0.00 177.39 178.91 2kk0 h TRP 88 N 0.63 0.00 -0.34 1.47 4.06 -1.89 0.84 115.95 120.72 2kk0 h TRP 88 Ca 0.05 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.06 2kk0 h TRP 88 Cb 1.06 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.17 2kk0 h TRP 88 CO 0.24 0.00 -0.02 0.00 -3.56 0.00 0.00 178.44 175.10 2kk0 h ARG 89 N 0.00 0.07 -1.00 0.49 2.47 -2.00 -0.59 114.38 113.82 2kk0 h ARG 89 Ca 0.00 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2kk0 h ARG 89 Cb 0.09 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 2kk0 h ARG 89 CO 0.00 0.05 0.66 0.93 0.56 0.00 0.00 179.97 182.16 2kk0 h GLU 90 N 0.07 1.23 0.33 0.04 4.39 -1.18 0.15 114.58 119.61 2kk0 h GLU 90 Ca 0.17 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2kk0 h GLU 90 Cb 0.23 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2kk0 h GLU 90 CO -0.29 0.81 -0.16 0.82 -1.16 0.00 0.00 179.01 179.03 2kk0 h ILE 91 N 1.26 0.66 -0.29 3.13 1.08 -1.32 0.17 117.51 122.20 2kk0 h ILE 91 Ca 0.40 -0.51 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2kk0 h ILE 91 Cb 0.02 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 2kk0 h ILE 91 CO -0.13 0.10 0.16 0.71 -0.69 0.00 0.00 178.15 178.30 2kk0 h THR 92 N -0.74 1.02 -0.77 -0.27 1.35 -1.07 -0.60 112.91 111.83 2kk0 h THR 92 Ca -0.05 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2kk0 h THR 92 Cb 0.50 0.65 -0.04 0.00 -1.73 0.00 0.00 68.15 67.54 2kk0 h THR 92 CO 0.08 0.06 0.49 0.50 -0.25 0.00 0.00 175.52 176.39 2kk0 h LYS 93 N 0.33 1.02 -0.01 4.72 1.63 -0.97 0.51 116.57 123.81 2kk0 h LYS 93 Ca 0.12 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 2kk0 h LYS 93 Cb 0.01 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.41 2kk0 h LYS 93 CO -0.06 0.70 -0.46 0.78 -3.45 0.00 0.00 179.45 176.95 2kk0 h GLY 94 N 1.06 0.02 -0.30 5.01 0.00 -0.13 -2.10 103.07 106.63 2kk0 h GLY 94 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2kk0 h GLY 94 CO -0.06 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.54 2kk0 n LEU 95 N -3.99 1.15 -0.93 3.11 4.77 -0.28 -4.91 117.00 115.92 2kk0 n LEU 95 Ca -0.02 -0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 2kk0 n LEU 95 Cb 0.49 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 2kk0 n LEU 95 CO 0.40 0.23 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.37 2kk0 n ASN 96 N -0.05 -4.60 -4.81 -1.43 4.05 -0.51 -4.99 115.26 102.92 2kk0 n ASN 96 Ca 0.17 0.30 -0.33 0.00 0.45 0.00 0.00 54.58 55.17 2kk0 n ASN 96 Cb 0.26 -3.17 -0.01 0.00 1.23 0.00 0.00 39.78 38.10 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 -2.76 3.62 0.19 1.20 1.43 0.05 -4.99 118.68 117.42 2kk0 s LEU 97 Ca 0.00 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 2kk0 s LEU 97 Cb 0.00 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.60 2kk0 s LEU 97 CO 0.00 -0.97 1.23 -2.16 0.23 0.00 0.00 176.35 174.68 2kk0 s PRO 98 N -3.81 4.46 0.00 1.29 0.04 -1.26 -4.55 135.00 131.17 2kk0 s PRO 98 Ca 0.64 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2kk0 s PRO 98 Cb -0.15 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2kk0 s PRO 98 CO 0.31 -0.14 0.39 -2.37 0.04 0.00 0.00 177.00 175.23 2kk0 n THR 99 N 2.54 0.00 0.93 1.26 5.66 -1.26 -2.77 114.28 120.64 2kk0 n THR 99 Ca 0.05 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.15 2kk0 n THR 99 Cb 0.44 -0.35 0.02 0.00 -1.55 0.00 0.00 70.33 68.88 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 0.09 2.13 -4.55 1.09 2.88 -1.26 -4.89 113.62 109.10 2kk0 n SER 100 Ca 0.00 -1.56 -0.38 0.00 -1.33 0.00 0.00 58.87 55.60 2kk0 n SER 100 Cb 0.17 0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.23 3.58 0.34 2.46 1.01 -1.11 -4.27 121.20 120.98 2kk0 s ILE 101 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.88 2kk0 s ILE 101 Cb 0.17 -4.45 0.29 0.00 0.01 0.00 0.00 42.46 38.48 2kk0 s ILE 101 CO 0.48 -1.39 1.94 0.74 0.00 0.00 0.00 174.94 176.71 2kk0 h THR 102 N 6.67 1.03 -0.58 2.92 2.02 -1.90 -2.25 112.91 120.82 2kk0 h THR 102 Ca -0.12 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2kk0 h THR 102 Cb 1.07 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2kk0 h THR 102 CO 1.27 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 175.78 2kk0 n SER 103 N -4.49 3.32 0.01 4.18 3.41 -1.26 -4.64 113.62 114.15 2kk0 n SER 103 Ca 0.12 -2.08 -0.11 0.00 -0.26 0.00 0.00 58.87 56.54 2kk0 n SER 103 Cb 0.23 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 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 4.03 -0.79 -0.78 7.33 0.00 -1.81 -0.51 119.26 126.74 2kk0 h ALA 104 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2kk0 h ALA 104 Cb 0.88 0.88 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 2kk0 h ALA 104 CO 0.04 -0.93 0.41 0.00 0.00 0.00 0.00 179.25 178.77 2kk0 h ALA 105 N -0.63 1.11 -0.10 0.00 0.00 -1.83 -1.24 119.26 116.57 2kk0 h ALA 105 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2kk0 h ALA 105 Cb 0.51 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kk0 h ALA 105 CO -0.31 -0.02 -0.00 0.35 0.00 0.00 0.00 179.25 179.28 2kk0 h PHE 106 N 0.66 0.19 0.13 0.00 3.57 -1.76 -2.13 116.94 117.60 2kk0 h PHE 106 Ca 0.39 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2kk0 h PHE 106 Cb 0.44 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2kk0 h PHE 106 CO -0.09 0.43 -0.06 1.15 -2.23 0.00 0.00 178.31 177.51 2kk0 h THR 107 N -0.11 1.00 -0.48 4.41 2.02 -0.88 -2.40 112.91 116.48 2kk0 h THR 107 Ca 0.03 -0.56 0.08 0.00 0.77 0.00 0.00 66.41 66.73 2kk0 h THR 107 Cb 0.36 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 68.05 2kk0 h THR 107 CO 0.01 0.13 0.10 -0.07 0.37 0.00 0.00 175.52 176.06 2kk0 h LEU 108 N -0.44 0.01 -0.41 2.58 3.38 -1.29 0.27 115.31 119.41 2kk0 h LEU 108 Ca -0.02 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2kk0 h LEU 108 Cb 0.36 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2kk0 h LEU 108 CO 0.03 0.04 0.06 -0.09 0.09 0.00 0.00 178.44 178.56 2kk0 h ARG 109 N 0.24 0.18 -0.14 1.13 2.43 -1.38 -1.00 114.38 115.82 2kk0 h ARG 109 Ca 0.24 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2kk0 h ARG 109 Cb 0.31 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2kk0 h ARG 109 CO -0.31 0.12 -0.05 1.15 -1.51 0.00 0.00 179.97 179.37 2kk0 h THR 110 N 0.18 1.30 -0.57 0.20 2.02 -0.77 -1.49 112.91 113.78 2kk0 h THR 110 Ca 0.20 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.26 2kk0 h THR 110 Cb 0.26 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 2kk0 h THR 110 CO -0.29 0.30 0.02 1.56 0.37 0.00 0.00 175.52 177.49 2kk0 h GLN 111 N -0.03 0.99 -0.27 6.66 1.08 -0.91 -2.20 115.11 120.42 2kk0 h GLN 111 Ca 0.03 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2kk0 h GLN 111 Cb 0.49 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2kk0 h GLN 111 CO 0.02 0.98 0.17 -0.92 -0.95 0.00 0.00 178.83 178.12 2kk0 h TYR 112 N 0.87 0.35 -0.24 2.96 5.03 -1.20 -2.22 116.97 122.53 2kk0 h TYR 112 Ca 0.16 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.53 2kk0 h TYR 112 Cb 0.52 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 2kk0 h TYR 112 CO 0.04 0.25 0.17 1.98 -1.32 0.00 0.00 178.16 179.27 2kk0 h MET 113 N 0.35 0.06 0.00 1.82 4.05 -0.94 0.17 114.93 120.43 2kk0 h MET 113 Ca 0.10 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 2kk0 h MET 113 Cb -0.01 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2kk0 h MET 113 CO -0.02 0.04 -0.08 0.87 0.23 0.00 0.00 176.91 177.95 2kk0 h LYS 114 N 0.06 0.00 0.00 0.39 1.57 -1.19 -3.39 116.57 114.02 2kk0 h LYS 114 Ca 0.11 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.53 2kk0 h LYS 114 Cb 0.36 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 2kk0 h LYS 114 CO -0.01 0.86 -2.01 0.66 -0.57 0.00 0.00 179.45 178.39 2kk0 n TYR 115 N -4.62 0.35 0.12 -1.35 4.01 -0.85 -4.63 117.16 110.20 2kk0 n TYR 115 Ca -0.10 0.15 0.11 0.00 -0.16 0.00 0.00 57.90 57.91 2kk0 n TYR 115 Cb 0.43 -1.00 -0.01 0.00 -0.31 0.00 0.00 39.34 38.45 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 -4.33 0.77 0.03 7.72 4.77 -0.07 -4.36 117.00 121.54 2kk0 n LEU 116 Ca -0.44 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 2kk0 n LEU 116 Cb 0.79 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 2kk0 n LEU 116 CO 0.09 -0.16 0.88 0.22 -1.33 0.00 0.00 177.39 177.09 2kk0 h TYR 117 N 0.00 0.02 -0.44 -1.77 3.20 -0.95 -1.67 116.97 115.36 2kk0 h TYR 117 Ca 0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2kk0 h TYR 117 Cb 0.98 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2kk0 h TYR 117 CO 0.00 0.01 0.30 -1.00 -1.64 0.00 0.00 178.16 175.83 2kk0 h PRO 118 N 0.03 0.32 -0.05 1.82 0.13 -1.83 -1.85 132.00 130.57 2kk0 h PRO 118 Ca 0.01 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 2kk0 h PRO 118 Cb 0.00 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.07 2kk0 h PRO 118 CO -0.01 0.21 -0.40 -0.92 -0.23 0.00 0.00 178.00 176.65 2kk0 h TYR 119 N 0.33 0.51 0.47 1.56 3.20 -1.70 -2.34 116.97 118.99 2kk0 h TYR 119 Ca 0.19 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 2kk0 h TYR 119 Cb 0.35 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2kk0 h TYR 119 CO -0.00 1.01 -0.22 1.49 -1.64 0.00 0.00 178.16 178.79 2kk0 h GLU 120 N -0.14 -0.61 -0.02 1.82 4.22 -0.97 0.63 114.58 119.52 2kk0 h GLU 120 Ca -0.04 0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 2kk0 h GLU 120 Cb 1.08 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2kk0 h GLU 120 CO 0.08 -0.40 -0.19 0.00 -2.18 0.00 0.00 179.01 176.32 2kk0 h GLU 122 N 0.03 -0.04 -0.33 0.00 4.57 -1.28 -3.06 114.58 114.46 2kk0 h GLU 122 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.09 2kk0 h GLU 122 Cb 0.35 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2kk0 h GLU 122 CO 0.03 0.07 -0.20 0.87 -1.18 0.00 0.00 179.01 178.60 2kk0 h LYS 123 N -1.01 0.62 0.00 1.92 1.79 -0.89 -3.40 116.57 115.60 2kk0 h LYS 123 Ca -0.00 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2kk0 h LYS 123 Cb 0.13 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2kk0 h LYS 123 CO 0.01 0.78 -0.02 0.54 -1.08 0.00 0.00 179.45 179.68 2kk0 n ARG 124 N -4.14 0.01 -0.97 3.15 5.12 -0.46 -5.08 116.66 114.28 2kk0 n ARG 124 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2kk0 n ARG 124 Cb 0.39 -0.42 0.00 0.00 -1.16 0.00 0.00 32.46 31.27 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 3.45 0.49 0.14 -0.13 0.00 0.34 -4.97 105.19 104.51 2kk0 n GLY 125 Ca -0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 0.66 -9.50 0.99 3.38 -1.86 -3.46 115.31 105.51 2kk0 h LEU 126 Ca 0.00 -0.67 -0.59 0.00 0.09 0.00 0.00 57.88 56.72 2kk0 h LEU 126 Cb 0.49 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 2kk0 h LEU 126 CO 0.00 1.50 -0.66 -0.44 0.09 0.00 0.00 178.44 178.94 2kk0 s SER 127 N -7.34 4.11 0.08 -0.43 0.01 -1.26 -4.84 113.70 104.03 2kk0 s SER 127 Ca -0.07 -0.94 0.09 0.00 1.31 0.00 0.00 55.95 56.34 2kk0 s SER 127 Cb 0.06 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 2kk0 s SER 127 CO 0.91 -0.13 -0.24 0.20 0.41 0.00 0.00 173.24 174.40 2kk0 s ASN 128 N -3.66 2.89 0.46 2.44 0.01 -1.26 -4.80 114.94 111.03 2kk0 s ASN 128 Ca 0.33 -0.63 0.12 0.00 -0.71 0.00 0.00 52.86 51.97 2kk0 s ASN 128 Cb -0.02 -0.22 1.05 0.00 0.41 0.00 0.00 41.25 42.47 2kk0 s ASN 128 CO 0.18 0.17 2.08 1.55 -1.51 0.00 0.00 177.10 179.57 2kk0 h PRO 129 N 4.45 0.21 0.43 -0.60 0.13 -2.01 -0.70 132.00 133.91 2kk0 h PRO 129 Ca -0.46 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2kk0 h PRO 129 Cb 1.16 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kk0 h PRO 129 CO 0.42 0.18 -0.21 -0.91 -0.23 0.00 0.00 178.00 177.25 2kk0 h ASN 130 N 0.21 -0.49 -0.11 1.44 4.21 -2.02 -2.86 115.58 115.97 2kk0 h ASN 130 Ca 0.05 -0.09 -0.05 0.00 1.21 0.00 0.00 56.30 57.43 2kk0 h ASN 130 Cb 0.06 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 2kk0 h ASN 130 CO -0.01 -0.18 -0.05 1.05 -1.29 0.00 0.00 177.43 176.96 2kk0 h GLU 131 N -0.81 0.37 -0.31 0.81 4.11 -1.96 -3.10 114.58 113.68 2kk0 h GLU 131 Ca -0.06 -0.08 0.07 0.00 0.07 0.00 0.00 59.36 59.37 2kk0 h GLU 131 Cb 0.55 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 2kk0 h GLU 131 CO 0.10 0.44 -0.24 1.25 0.07 0.00 0.00 179.01 180.63 2kk0 h LEU 132 N 0.35 -0.78 -0.93 3.06 5.85 -1.00 0.15 115.31 122.01 2kk0 h LEU 132 Ca 0.08 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2kk0 h LEU 132 Cb 0.32 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2kk0 h LEU 132 CO 0.01 -0.27 0.61 -0.61 -0.34 0.00 0.00 178.44 177.84 2kk0 h GLN 133 N -0.21 1.15 -0.30 1.25 5.75 -1.43 -1.57 115.11 119.75 2kk0 h GLN 133 Ca 0.16 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 2kk0 h GLN 133 Cb 0.46 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2kk0 h GLN 133 CO -0.43 0.76 -0.01 0.00 -2.65 0.00 0.00 178.83 176.50 2kk0 h ALA 134 N 1.37 0.41 -0.00 3.38 0.00 -1.41 -1.01 119.26 122.00 2kk0 h ALA 134 Ca 0.36 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2kk0 h ALA 134 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2kk0 h ALA 134 CO -0.11 0.17 -0.24 0.00 0.00 0.00 0.00 179.25 179.07 2kk0 h ALA 135 N 0.83 -0.31 -0.36 0.00 0.00 -0.37 -0.50 119.26 118.55 2kk0 h ALA 135 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kk0 h ALA 135 Cb 0.45 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2kk0 h ALA 135 CO 0.02 -0.74 0.21 0.82 0.00 0.00 0.00 179.25 179.56 2kk0 h ILE 136 N -0.37 1.13 -0.98 0.00 2.04 -1.29 -2.62 117.51 115.42 2kk0 h ILE 136 Ca 0.06 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2kk0 h ILE 136 Cb 0.45 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 2kk0 h ILE 136 CO -0.22 0.13 0.64 -0.78 0.00 0.00 0.00 178.15 177.92 2kk0 h ASP 137 N 0.47 1.09 -0.42 1.72 3.58 -0.95 -1.13 116.42 120.77 2kk0 h ASP 137 Ca 0.13 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.58 2kk0 h ASP 137 Cb 0.02 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 2kk0 h ASP 137 CO -0.02 0.76 0.25 0.28 -2.88 0.00 0.00 179.24 177.63 2kk0 h SER 138 N 1.27 0.40 -0.39 2.28 0.02 -0.87 -1.30 113.55 114.96 2kk0 h SER 138 Ca 0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.31 2kk0 h SER 138 Cb -0.06 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2kk0 h SER 138 CO -0.11 0.29 0.17 0.78 -1.14 0.00 0.00 176.83 176.82 2kk0 h ASN 139 N 0.50 0.57 0.40 3.07 2.35 -1.03 0.02 115.58 121.46 2kk0 h ASN 139 Ca 0.17 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 2kk0 h ASN 139 Cb 0.01 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2kk0 h ASN 139 CO -0.08 0.52 -0.38 0.03 -1.65 0.00 0.00 177.43 175.88 2kk0 h ARG 140 N 0.62 0.00 0.00 0.81 3.08 -0.60 -2.87 114.38 115.43 2kk0 h ARG 140 Ca 0.15 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.98 2kk0 h ARG 140 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2kk0 h ARG 140 CO -0.01 0.38 -1.06 -0.09 -1.07 0.00 0.00 179.97 178.11 2kk0 h ARG 141 N 0.00 0.00 -7.21 0.04 2.43 -0.32 -3.47 114.38 105.85 2kk0 h ARG 141 Ca -0.00 -0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.73 2kk0 h ARG 141 Cb 0.68 0.00 0.20 0.00 -0.42 0.00 0.00 29.97 30.43 2kk0 h ARG 141 CO 0.05 0.95 0.05 -1.21 -1.51 0.00 0.00 179.97 178.30 2kk0 s GLU 142 N -2.70 -0.83 0.00 0.20 2.02 -0.10 -4.41 118.70 112.87 2kk0 s GLU 142 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.60 2kk0 s GLU 142 Cb 0.10 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.75 2kk0 s GLU 142 CO 0.82 -3.61 0.00 0.41 0.02 0.00 0.00 175.26 172.91 2kk0 n GLY 143 N 0.23 1.00 0.58 -1.39 0.00 -1.26 -5.00 105.19 99.34 2kk0 n GLY 143 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 2kk0 n GLY 143 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kk0 n ARG 144 N -0.63 0.09 0.00 1.61 1.85 -1.26 -5.24 116.66 113.07 2kk0 n ARG 144 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 57.85 56.29 2kk0 n ARG 144 Cb 0.30 0.48 0.00 0.00 -1.05 0.00 0.00 32.46 32.20 2kk0 n ARG 144 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51