#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 0.41 1.98 3.03 0.00 -1.26 -4.98 105.19 104.37 2kk0 n GLY 2 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 2kk0 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk0 n HIS 3 N -0.41 -1.92 -1.94 1.61 -0.00 -1.26 -4.73 115.22 106.57 2kk0 n HIS 3 Ca 0.02 1.08 -0.24 0.00 -0.00 0.00 0.00 57.72 58.59 2kk0 n HIS 3 Cb 0.25 -2.56 -0.06 0.00 -0.00 0.00 0.00 29.99 27.62 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 -0.35 1.69 -0.29 4.41 3.76 -1.26 -4.92 115.29 118.34 2kk0 s HIS 4 Ca -0.11 0.97 -0.29 0.00 -0.15 0.00 0.00 55.06 55.48 2kk0 s HIS 4 Cb 0.01 -3.86 -0.01 0.00 1.11 0.00 0.00 32.58 29.83 2kk0 s HIS 4 CO 0.34 -1.41 1.46 -3.38 -0.85 0.00 0.00 174.74 170.91 2kk0 s HIS 5 N 11.88 2.37 -0.17 1.40 -0.00 -1.26 -4.99 115.29 124.52 2kk0 s HIS 5 Ca 0.74 0.70 -0.22 0.00 -0.00 0.00 0.00 55.06 56.29 2kk0 s HIS 5 Cb -0.05 -4.01 -0.03 0.00 -0.00 0.00 0.00 32.58 28.49 2kk0 s HIS 5 CO 0.07 -2.29 0.66 -1.01 -0.00 0.00 0.00 174.74 172.18 2kk0 s HIS 6 N 4.98 3.43 -0.45 0.38 3.76 -1.26 -5.03 115.29 121.09 2kk0 s HIS 6 Ca 0.64 1.03 -0.26 0.00 -0.15 0.00 0.00 55.06 56.32 2kk0 s HIS 6 Cb -0.20 -2.81 0.03 0.00 1.11 0.00 0.00 32.58 30.71 2kk0 s HIS 6 CO 0.27 -0.11 0.94 -1.58 -0.85 0.00 0.00 174.74 173.41 2kk0 s HIS 7 N 1.66 2.94 0.00 1.40 2.46 -1.26 -4.77 115.29 117.73 2kk0 s HIS 7 Ca 0.31 0.48 0.00 0.00 0.47 0.00 0.00 55.06 56.32 2kk0 s HIS 7 Cb -0.16 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 2kk0 s HIS 7 CO 0.12 -1.07 0.00 0.72 -2.47 0.00 0.00 174.74 172.04 2kk0 n HIS 8 N 7.16 0.00 -3.65 3.88 8.25 -1.26 -5.10 115.22 124.50 2kk0 n HIS 8 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 2kk0 n HIS 8 Cb 0.48 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.52 2kk0 n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kk0 s SER 9 N -1.55 -0.59 -0.30 0.41 0.15 -1.26 -5.14 113.70 105.42 2kk0 s SER 9 Ca 0.00 1.02 0.02 0.00 0.70 0.00 0.00 55.95 57.69 2kk0 s SER 9 Cb 0.00 1.02 0.07 0.00 -1.71 0.00 0.00 66.02 65.40 2kk0 s SER 9 CO 0.00 -0.30 -0.03 -2.28 1.20 0.00 0.00 173.24 171.83 2kk0 s HIS 10 N -0.10 3.42 -0.06 3.44 2.46 -1.26 -5.10 115.29 118.09 2kk0 s HIS 10 Ca -0.03 -2.44 -0.30 0.00 0.47 0.00 0.00 55.06 52.76 2kk0 s HIS 10 Cb -0.03 -2.29 -0.03 0.00 -0.13 0.00 0.00 32.58 30.09 2kk0 s HIS 10 CO 0.03 -0.89 1.26 1.41 -2.47 0.00 0.00 174.74 174.08 2kk0 s MET 11 N 1.08 4.31 -0.21 2.88 -2.45 -1.26 -4.94 119.30 118.72 2kk0 s MET 11 Ca -0.02 1.74 -0.37 0.00 -1.25 0.00 0.00 55.69 55.79 2kk0 s MET 11 Cb -0.20 -3.60 -0.14 0.00 1.25 0.00 0.00 34.83 32.14 2kk0 s MET 11 CO -0.05 -0.52 1.84 -2.30 1.05 0.00 0.00 175.02 175.04 2kk0 n PRO 12 N 5.50 1.59 -1.99 4.11 -0.02 -1.26 -4.89 135.00 138.04 2kk0 n PRO 12 Ca 0.12 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 2kk0 n PRO 12 Cb 0.45 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2kk0 n PRO 12 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kk0 s ASP 13 N 4.11 6.31 -1.21 2.55 1.11 -1.26 -4.91 116.67 123.37 2kk0 s ASP 13 Ca 0.97 1.84 -0.21 0.00 0.18 0.00 0.00 52.55 55.33 2kk0 s ASP 13 Cb -0.89 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 40.54 2kk0 s ASP 13 CO 0.59 -1.28 1.86 -2.28 1.18 0.00 0.00 175.17 175.24 2kk0 s HIS 14 N 5.34 2.22 0.00 4.23 5.65 -1.26 -3.97 115.29 127.51 2kk0 s HIS 14 Ca 0.77 -0.21 0.00 0.00 0.25 0.00 0.00 55.06 55.86 2kk0 s HIS 14 Cb -0.29 -4.26 0.00 0.00 -1.18 0.00 0.00 32.58 26.86 2kk0 s HIS 14 CO 0.31 -1.43 0.00 0.41 -0.65 0.00 0.00 174.74 173.38 2kk0 n GLY 15 N 5.75 -2.00 3.57 1.59 0.00 -1.26 -4.77 105.19 108.06 2kk0 n GLY 15 Ca 0.46 0.67 -0.29 0.00 0.00 0.00 0.00 46.02 46.85 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 -1.02 5.31 -0.22 1.61 1.01 -1.25 -4.89 116.67 117.21 2kk0 s ASP 16 Ca 0.00 -1.10 -0.01 0.00 0.71 0.00 0.00 52.55 52.15 2kk0 s ASP 16 Cb 0.00 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.43 2kk0 s ASP 16 CO 0.00 -2.66 0.02 0.26 0.21 0.00 0.00 175.17 173.00 2kk0 s TRP 17 N 9.62 1.58 0.00 4.23 0.52 -1.26 -4.94 118.94 128.68 2kk0 s TRP 17 Ca 0.67 -1.28 0.00 0.00 0.02 0.00 0.00 56.10 55.51 2kk0 s TRP 17 Cb -0.04 -1.31 0.00 0.00 -1.15 0.00 0.00 33.47 30.97 2kk0 s TRP 17 CO 0.03 -0.70 0.00 0.25 0.02 0.00 0.00 176.95 176.54 2kk0 n THR 18 N 4.90 0.00 -3.57 2.01 -2.24 -1.26 -4.55 114.28 109.56 2kk0 n THR 18 Ca -0.09 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 2kk0 n THR 18 Cb 0.45 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.53 2kk0 n THR 18 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2kk0 s TYR 19 N 0.00 0.12 0.00 4.78 1.13 -1.26 -5.11 117.35 117.00 2kk0 s TYR 19 Ca 0.00 -0.30 0.00 0.00 -1.41 0.00 0.00 57.07 55.36 2kk0 s TYR 19 Cb 0.00 -0.66 0.00 0.00 -1.10 0.00 0.00 41.96 40.20 2kk0 s TYR 19 CO 0.00 -0.58 0.00 0.39 -2.51 0.00 0.00 175.55 172.85 2kk0 n GLU 20 N 5.28 1.82 -0.78 -3.49 1.02 -1.26 -5.15 120.64 118.08 2kk0 n GLU 20 Ca -0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 2kk0 n GLU 20 Cb 0.48 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 32.06 2kk0 n GLU 20 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2kk0 s GLU 21 N 1.37 1.18 0.06 3.49 2.12 -1.26 -4.91 118.70 120.76 2kk0 s GLU 21 Ca 0.00 1.53 -0.36 0.00 0.36 0.00 0.00 54.97 56.50 2kk0 s GLU 21 Cb 0.00 -1.75 -0.16 0.00 0.26 0.00 0.00 34.13 32.48 2kk0 s GLU 21 CO 0.00 -2.51 1.43 1.04 -0.54 0.00 0.00 175.26 174.68 2kk0 n GLN 22 N -4.10 1.34 -2.08 4.30 1.13 -1.26 -4.85 117.38 111.88 2kk0 n GLN 22 Ca 0.12 0.49 -0.32 0.00 -1.94 0.00 0.00 57.00 55.34 2kk0 n GLN 22 Cb 0.52 -2.16 -0.04 0.00 0.11 0.00 0.00 30.24 28.67 2kk0 n GLN 22 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2kk0 s PHE 23 N 0.93 1.78 0.48 1.08 5.36 -1.26 -4.83 117.98 121.53 2kk0 s PHE 23 Ca 0.85 0.63 0.25 0.00 -0.96 0.00 0.00 56.93 57.69 2kk0 s PHE 23 Cb -0.91 -4.10 1.46 0.00 -0.34 0.00 0.00 43.02 39.12 2kk0 s PHE 23 CO 0.47 -2.00 2.12 -0.22 -1.46 0.00 0.00 175.22 174.13 2kk0 h LYS 24 N 12.75 0.00 -0.85 10.12 1.63 -2.02 -3.09 116.57 135.11 2kk0 h LYS 24 Ca -0.06 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.91 2kk0 h LYS 24 Cb 1.07 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.60 2kk0 h LYS 24 CO 1.22 0.09 0.40 0.37 -3.45 0.00 0.00 179.45 178.08 2kk0 h GLN 25 N 0.00 0.50 -0.75 1.90 5.75 -1.97 0.82 115.11 121.36 2kk0 h GLN 25 Ca -0.00 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.56 2kk0 h GLN 25 Cb 0.21 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 2kk0 h GLN 25 CO 0.01 0.33 0.49 -0.07 -2.65 0.00 0.00 178.83 176.95 2kk0 h LEU 26 N 0.52 0.60 -0.20 -2.39 3.38 -1.96 0.17 115.31 115.43 2kk0 h LEU 26 Ca 0.48 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.27 2kk0 h LEU 26 Cb 0.78 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2kk0 h LEU 26 CO -0.42 0.36 -0.92 1.88 0.09 0.00 0.00 178.44 179.43 2kk0 h TYR 27 N 0.67 0.08 -0.14 1.13 -1.99 -1.07 -3.26 116.97 112.40 2kk0 h TYR 27 Ca 0.35 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 61.02 2kk0 h TYR 27 Cb 0.45 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.18 2kk0 h TYR 27 CO -0.00 0.93 0.00 0.39 -0.00 0.00 0.00 178.16 179.48 2kk0 n GLU 28 N -3.51 2.11 -0.18 4.88 1.02 -0.67 -4.31 120.64 119.98 2kk0 n GLU 28 Ca -0.01 -1.64 -0.01 0.00 -0.02 0.00 0.00 57.16 55.48 2kk0 n GLU 28 Cb 0.86 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 30.89 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 3.66 -0.17 0.00 -4.62 3.38 -1.04 -3.31 115.31 113.21 2kk0 h LEU 29 Ca 0.00 0.13 -0.32 0.00 0.09 0.00 0.00 57.88 57.78 2kk0 h LEU 29 Cb 0.79 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 2kk0 h LEU 29 CO 0.00 -0.06 -2.21 -0.67 0.09 0.00 0.00 178.44 175.59 2kk0 n ASP 30 N -5.22 2.13 0.00 -0.43 2.03 -1.26 -5.03 116.55 108.77 2kk0 n ASP 30 Ca 0.07 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2kk0 n ASP 30 Cb 0.31 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kk0 n GLY 31 N 2.41 3.25 3.84 0.27 0.00 -1.25 -5.06 105.19 108.64 2kk0 n GLY 31 Ca -0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2kk0 n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kk0 s ASP 32 N -0.02 6.80 0.41 1.61 1.11 -1.26 -4.96 116.67 120.36 2kk0 s ASP 32 Ca 0.00 1.41 0.16 0.00 0.18 0.00 0.00 52.55 54.30 2kk0 s ASP 32 Cb 0.00 -2.43 1.05 0.00 1.07 0.00 0.00 42.92 42.61 2kk0 s ASP 32 CO 0.00 -0.28 1.87 1.55 1.18 0.00 0.00 175.17 179.49 2kk0 h PRO 33 N 2.02 0.43 -0.91 8.23 0.13 -1.97 -1.67 132.00 138.26 2kk0 h PRO 33 Ca -0.48 -0.03 0.20 0.00 -0.87 0.00 0.00 66.00 64.82 2kk0 h PRO 33 Cb 1.18 -0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.14 2kk0 h PRO 33 CO 0.64 0.28 0.59 0.87 -0.23 0.00 0.00 178.00 180.15 2kk0 h LYS 34 N 0.44 0.45 0.61 0.86 1.79 -1.98 -0.26 116.57 118.47 2kk0 h LYS 34 Ca 0.45 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.86 2kk0 h LYS 34 Cb 1.05 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.61 2kk0 h LYS 34 CO -0.17 0.29 -0.29 -0.09 -1.08 0.00 0.00 179.45 178.11 2kk0 h ARG 35 N 0.46 -0.79 0.01 3.15 9.65 -1.64 -2.03 114.38 123.19 2kk0 h ARG 35 Ca 0.47 0.05 -0.20 0.00 -1.10 0.00 0.00 59.98 59.21 2kk0 h ARG 35 Cb 1.10 0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 2kk0 h ARG 35 CO -0.19 -0.52 -0.89 1.57 2.80 0.00 0.00 179.97 182.74 2kk0 h LYS 36 N -0.86 0.17 -0.28 0.20 -0.00 -1.61 -2.83 116.57 111.36 2kk0 h LYS 36 Ca -0.08 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.38 2kk0 h LYS 36 Cb 0.64 0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 32.92 2kk0 h LYS 36 CO 0.14 0.95 0.19 0.93 -0.00 0.00 0.00 179.45 181.66 2kk0 h GLU 37 N 0.09 0.37 -0.28 0.07 5.08 -1.08 0.10 114.58 118.94 2kk0 h GLU 37 Ca -0.04 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2kk0 h GLU 37 Cb 1.54 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 2kk0 h GLU 37 CO 0.13 0.25 0.09 0.35 -1.00 0.00 0.00 179.01 178.83 2kk0 h PHE 38 N 0.38 0.15 -0.66 4.33 3.57 -1.39 -1.49 116.94 121.83 2kk0 h PHE 38 Ca 0.10 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2kk0 h PHE 38 Cb -0.04 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 2kk0 h PHE 38 CO -0.06 0.07 0.40 -0.07 -2.23 0.00 0.00 178.31 176.42 2kk0 h LEU 39 N 0.21 0.65 0.14 0.59 3.38 -1.21 0.73 115.31 119.79 2kk0 h LEU 39 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2kk0 h LEU 39 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kk0 h LEU 39 CO -0.14 0.44 -0.07 -0.78 0.09 0.00 0.00 178.44 177.99 2kk0 h ASP 40 N 0.78 -0.16 -0.84 -0.43 3.58 -0.52 0.15 116.42 118.98 2kk0 h ASP 40 Ca 0.27 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 2kk0 h ASP 40 Cb 0.06 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 2kk0 h ASP 40 CO -0.12 -0.08 0.41 -0.78 -2.88 0.00 0.00 179.24 175.79 2kk0 h ASP 41 N -0.22 1.10 0.69 2.28 3.58 -1.08 -1.87 116.42 120.90 2kk0 h ASP 41 Ca -0.02 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.26 2kk0 h ASP 41 Cb 0.17 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 40.94 2kk0 h ASP 41 CO 0.03 0.93 -0.33 0.25 -2.88 0.00 0.00 179.24 177.24 2kk0 h LEU 42 N 1.20 -0.78 -1.05 2.28 5.85 -0.69 -1.52 115.31 120.60 2kk0 h LEU 42 Ca 0.29 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.12 2kk0 h LEU 42 Cb 0.11 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 2kk0 h LEU 42 CO -0.04 -0.44 0.63 -0.26 -0.34 0.00 0.00 178.44 177.99 2kk0 h PHE 43 N -1.14 1.11 -0.11 1.25 0.04 -0.67 0.12 116.94 117.55 2kk0 h PHE 43 Ca -0.09 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 2kk0 h PHE 43 Cb 0.74 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 2kk0 h PHE 43 CO -0.00 0.47 0.03 0.77 -0.60 0.00 0.00 178.31 178.98 2kk0 h SER 44 N 0.99 0.17 0.58 2.17 0.02 -1.36 -2.21 113.55 113.91 2kk0 h SER 44 Ca 0.48 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2kk0 h SER 44 Cb 0.44 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.95 2kk0 h SER 44 CO -0.24 0.35 -0.28 0.15 -1.14 0.00 0.00 176.83 175.68 2kk0 h PHE 45 N -0.03 -0.72 -0.72 3.45 3.57 -0.17 -2.12 116.94 120.21 2kk0 h PHE 45 Ca 0.03 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2kk0 h PHE 45 Cb 0.25 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 2kk0 h PHE 45 CO 0.01 -0.40 0.46 0.00 -2.23 0.00 0.00 178.31 176.14 2kk0 h MET 46 N -0.90 0.89 -0.02 1.11 -0.00 -0.92 -2.68 114.93 112.42 2kk0 h MET 46 Ca -0.08 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.70 59.57 2kk0 h MET 46 Cb 0.64 -0.20 -0.00 0.00 -0.00 0.00 0.00 31.60 32.04 2kk0 h MET 46 CO 0.13 0.59 0.01 0.37 -0.00 0.00 0.00 176.91 178.01 2kk0 h GLN 47 N 0.92 0.02 0.00 -0.10 4.15 -1.26 0.14 115.11 118.99 2kk0 h GLN 47 Ca 0.28 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 2kk0 h GLN 47 Cb -0.03 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 2kk0 h GLN 47 CO -0.09 0.10 -0.04 0.87 -1.93 0.00 0.00 178.83 177.74 2kk0 h LYS 48 N -0.07 0.00 -0.15 1.69 1.57 -1.21 -0.86 116.57 117.53 2kk0 h LYS 48 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kk0 h LYS 48 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2kk0 h LYS 48 CO -0.00 0.04 0.00 2.89 -0.57 0.00 0.00 179.45 181.81 2kk0 n ARG 49 N -3.97 1.78 0.00 3.15 1.85 -1.02 -4.92 116.66 113.54 2kk0 n ARG 49 Ca -0.03 -1.17 0.00 0.00 -1.00 0.00 0.00 57.85 55.65 2kk0 n ARG 49 Cb 0.13 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 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 1.17 1.15 2.57 2.89 0.00 -0.33 -5.07 105.19 107.57 2kk0 n GLY 50 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.10 0.31 2.61 -1.32 0.02 -5.00 115.64 110.16 2kk0 s THR 51 Ca 0.00 -1.75 -0.03 0.00 -1.21 0.00 0.00 61.69 58.70 2kk0 s THR 51 Cb 0.00 -0.87 0.07 0.00 -1.51 0.00 0.00 72.50 70.19 2kk0 s THR 51 CO 0.00 -0.82 0.43 -0.81 -2.21 0.00 0.00 174.62 171.21 2kk0 n PRO 52 N 3.48 -0.12 -3.25 7.08 -0.04 -1.26 -2.89 135.00 138.00 2kk0 n PRO 52 Ca 0.20 -0.84 -0.45 0.00 -0.04 0.00 0.00 63.50 62.36 2kk0 n PRO 52 Cb 0.46 -0.39 -0.05 0.00 -0.04 0.00 0.00 33.50 33.49 2kk0 n PRO 52 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kk0 s VAL 53 N -1.59 5.07 -0.10 0.52 1.01 -1.26 -4.87 120.40 119.18 2kk0 s VAL 53 Ca 0.26 -1.24 0.09 0.00 0.00 0.00 0.00 61.98 61.10 2kk0 s VAL 53 Cb -0.01 -4.36 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 2kk0 s VAL 53 CO 0.18 -0.91 0.46 -0.46 0.00 0.00 0.00 175.10 174.36 2kk0 n ASN 54 N 5.64 1.02 -4.08 3.32 6.94 -1.26 -5.01 115.26 121.82 2kk0 n ASN 54 Ca -0.12 0.28 -0.10 0.00 -0.02 0.00 0.00 54.58 54.62 2kk0 n ASN 54 Cb 0.41 -0.05 -0.07 0.00 -2.36 0.00 0.00 39.78 37.71 2kk0 n ASN 54 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kk0 s ARG 55 N -2.57 1.37 -0.16 -3.83 1.70 -1.26 -5.08 118.95 109.12 2kk0 s ARG 55 Ca -0.10 -1.40 -0.01 0.00 -0.47 0.00 0.00 55.73 53.75 2kk0 s ARG 55 Cb 0.07 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 2kk0 s ARG 55 CO 0.80 -0.52 -0.12 0.42 -1.08 0.00 0.00 175.30 174.81 2kk0 s ILE 56 N -4.07 2.98 -0.54 4.99 1.01 -1.26 -5.07 121.20 119.24 2kk0 s ILE 56 Ca 0.29 -0.66 -0.26 0.00 0.00 0.00 0.00 60.65 60.01 2kk0 s ILE 56 Cb 0.03 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 2kk0 s ILE 56 CO 0.09 0.50 2.16 -2.16 0.00 0.00 0.00 174.94 175.53 2kk0 s PRO 57 N 0.78 2.36 -0.60 2.79 0.04 -1.26 -4.73 135.00 134.38 2kk0 s PRO 57 Ca -0.05 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.78 2kk0 s PRO 57 Cb -0.15 -4.49 0.03 0.00 0.04 0.00 0.00 34.50 29.93 2kk0 s PRO 57 CO 0.01 -3.00 1.20 0.42 0.04 0.00 0.00 177.00 175.67 2kk0 s ILE 58 N 10.71 3.98 -0.27 0.56 -1.09 -1.26 -2.69 121.20 131.13 2kk0 s ILE 58 Ca 0.84 0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 59.96 2kk0 s ILE 58 Cb -0.15 -4.75 -0.05 0.00 -1.58 0.00 0.00 42.46 35.93 2kk0 s ILE 58 CO 0.24 -1.42 0.24 -0.32 -1.23 0.00 0.00 174.94 172.45 2kk0 s MET 59 N 5.05 3.99 -1.48 2.79 1.75 0.19 -4.25 119.30 127.34 2kk0 s MET 59 Ca 0.41 -0.20 -0.07 0.00 -1.25 0.00 0.00 55.69 54.58 2kk0 s MET 59 Cb -0.08 -3.64 0.02 0.00 2.84 0.00 0.00 34.83 33.97 2kk0 s MET 59 CO 0.24 -0.18 0.80 0.00 -0.65 0.00 0.00 175.02 175.23 2kk0 n ALA 60 N 5.03 -1.11 -1.85 4.11 0.00 -1.26 -0.80 120.51 124.63 2kk0 n ALA 60 Ca -0.12 0.30 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 2kk0 n ALA 60 Cb 0.52 -4.33 -0.05 0.00 0.00 0.00 0.00 19.45 15.59 2kk0 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kk0 n LYS 61 N -4.35 -1.29 -4.38 0.00 4.76 -1.26 -5.00 118.16 106.64 2kk0 n LYS 61 Ca -0.06 1.00 -0.20 0.00 -2.87 0.00 0.00 58.31 56.18 2kk0 n LYS 61 Cb 0.59 -5.34 -0.16 0.00 -1.84 0.00 0.00 35.03 28.29 2kk0 n LYS 61 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2kk0 s GLN 62 N -4.05 0.99 0.17 1.97 2.00 0.02 -4.69 119.66 116.06 2kk0 s GLN 62 Ca 0.00 -0.29 -0.32 0.00 -2.00 0.00 0.00 55.36 52.74 2kk0 s GLN 62 Cb 0.00 -0.92 -0.12 0.00 0.80 0.00 0.00 33.01 32.77 2kk0 s GLN 62 CO 0.00 0.09 1.72 1.55 -0.50 0.00 0.00 175.29 178.16 2kk0 n VAL 63 N 3.38 0.11 -2.79 1.34 3.14 -1.26 0.55 118.33 122.80 2kk0 n VAL 63 Ca -0.19 -0.02 -0.42 0.00 -2.96 0.00 0.00 64.34 60.75 2kk0 n VAL 63 Cb 0.54 -1.91 -0.03 0.00 -1.06 0.00 0.00 33.84 31.37 2kk0 n VAL 63 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2kk0 s LEU 64 N 1.59 4.15 -0.88 6.55 2.96 -1.10 -4.83 118.68 127.12 2kk0 s LEU 64 Ca 0.78 1.27 -0.25 0.00 -0.22 0.00 0.00 54.13 55.71 2kk0 s LEU 64 Cb -0.55 -3.37 -0.08 0.00 0.50 0.00 0.00 46.19 42.69 2kk0 s LEU 64 CO 0.35 -0.51 2.08 -1.81 -1.32 0.00 0.00 176.35 175.14 2kk0 s ASP 65 N 1.20 4.77 0.24 3.68 1.11 -1.26 -4.82 116.67 121.58 2kk0 s ASP 65 Ca 0.41 -0.50 -0.05 0.00 0.18 0.00 0.00 52.55 52.59 2kk0 s ASP 65 Cb -0.16 -2.56 0.39 0.00 1.07 0.00 0.00 42.92 41.66 2kk0 s ASP 65 CO 0.10 -3.10 1.79 -0.07 1.18 0.00 0.00 175.17 175.08 2kk0 h LEU 66 N 19.24 0.55 -0.03 1.23 3.38 -1.96 -0.02 115.31 137.69 2kk0 h LEU 66 Ca 0.07 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2kk0 h LEU 66 Cb 1.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2kk0 h LEU 66 CO 1.15 0.30 -0.02 0.15 0.09 0.00 0.00 178.44 180.11 2kk0 h PHE 67 N 0.68 -0.05 -0.63 1.13 3.04 -1.95 -1.01 116.94 118.14 2kk0 h PHE 67 Ca 0.38 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.25 2kk0 h PHE 67 Cb 0.41 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 2kk0 h PHE 67 CO -0.09 -0.04 0.03 0.52 -2.02 0.00 0.00 178.31 176.72 2kk0 h MET 68 N -0.02 1.10 -0.60 1.11 2.86 -1.87 -2.29 114.93 115.21 2kk0 h MET 68 Ca 0.02 -0.33 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 2kk0 h MET 68 Cb 0.06 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 2kk0 h MET 68 CO -0.05 1.04 0.32 1.25 1.06 0.00 0.00 176.91 180.54 2kk0 h LEU 69 N 1.01 0.48 -0.29 1.22 5.85 -0.81 -1.10 115.31 121.66 2kk0 h LEU 69 Ca 0.18 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.97 2kk0 h LEU 69 Cb 0.53 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2kk0 h LEU 69 CO 0.03 0.32 0.10 0.22 -0.34 0.00 0.00 178.44 178.76 2kk0 h TYR 70 N 0.61 0.17 0.60 1.25 3.20 -0.89 -2.55 116.97 119.36 2kk0 h TYR 70 Ca 0.27 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2kk0 h TYR 70 Cb 0.16 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.40 2kk0 h TYR 70 CO -0.09 0.07 -0.29 0.28 -1.64 0.00 0.00 178.16 176.50 2kk0 h VAL 71 N 0.22 0.40 -0.82 1.81 2.07 -0.88 -1.18 116.25 117.88 2kk0 h VAL 71 Ca 0.13 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.66 2kk0 h VAL 71 Cb 0.11 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2kk0 h VAL 71 CO -0.14 0.01 0.53 -0.07 0.02 0.00 0.00 177.57 177.92 2kk0 h LEU 72 N -0.85 0.75 0.03 2.57 -0.00 -1.21 -1.08 115.31 115.52 2kk0 h LEU 72 Ca -0.08 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2kk0 h LEU 72 Cb 0.63 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2kk0 h LEU 72 CO 0.13 0.47 -0.02 0.58 -0.00 0.00 0.00 178.44 179.60 2kk0 h VAL 73 N 0.84 1.31 -0.56 1.22 2.07 -1.41 -3.32 116.25 116.40 2kk0 h VAL 73 Ca 0.36 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2kk0 h VAL 73 Cb 0.32 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 2kk0 h VAL 73 CO -0.14 0.40 0.25 0.71 0.02 0.00 0.00 177.57 178.81 2kk0 h THR 74 N -0.89 1.19 -0.05 2.57 1.35 -1.06 -2.00 112.91 114.02 2kk0 h THR 74 Ca -0.00 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.27 2kk0 h THR 74 Cb 0.70 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 2kk0 h THR 74 CO 0.01 0.23 0.01 1.05 -0.25 0.00 0.00 175.52 176.57 2kk0 h GLU 75 N 0.79 0.07 0.00 4.72 4.11 -1.34 -0.47 114.58 122.46 2kk0 h GLU 75 Ca 0.19 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.56 2kk0 h GLU 75 Cb 0.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kk0 h GLU 75 CO -0.02 0.07 -0.26 0.87 0.07 0.00 0.00 179.01 179.74 2kk0 h LYS 76 N 0.07 0.00 0.00 1.06 1.79 -1.46 -3.47 116.57 114.56 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 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2kk0 h LYS 76 CO -0.00 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 179.04 2kk0 n GLY 77 N 0.64 0.97 0.00 3.86 0.00 -0.19 -4.86 105.19 105.60 2kk0 n GLY 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 2.50 0.29 -0.02 0.00 -1.06 -4.74 105.19 102.17 2kk0 n GLY 78 Ca 0.00 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.81 -0.42 0.99 5.85 -1.95 -0.53 115.31 118.44 2kk0 h LEU 79 Ca 0.00 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2kk0 h LEU 79 Cb 0.00 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2kk0 h LEU 79 CO 0.00 -0.33 0.20 0.58 -0.34 0.00 0.00 178.44 178.55 2kk0 h VAL 80 N -0.38 0.96 -0.05 1.05 2.07 -1.95 -0.77 116.25 117.17 2kk0 h VAL 80 Ca 0.08 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2kk0 h VAL 80 Cb 0.49 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2kk0 h VAL 80 CO -0.27 0.07 -0.23 -0.08 0.02 0.00 0.00 177.57 177.08 2kk0 h GLU 81 N 0.40 -0.32 -0.96 1.57 4.57 -1.76 -1.14 114.58 116.95 2kk0 h GLU 81 Ca 0.18 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.43 2kk0 h GLU 81 Cb 0.10 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.71 2kk0 h GLU 81 CO -0.14 -0.21 0.63 0.28 -1.18 0.00 0.00 179.01 178.39 2kk0 h VAL 82 N -0.33 1.13 -0.11 0.32 2.07 -0.77 0.14 116.25 118.72 2kk0 h VAL 82 Ca 0.08 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2kk0 h VAL 82 Cb 0.44 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2kk0 h VAL 82 CO -0.24 0.22 0.03 0.40 0.02 0.00 0.00 177.57 178.00 2kk0 h ILE 83 N 1.18 0.97 -0.12 4.57 2.04 -0.61 0.12 117.51 125.66 2kk0 h ILE 83 Ca 0.40 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 66.12 2kk0 h ILE 83 Cb 0.07 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2kk0 h ILE 83 CO -0.13 0.02 -0.41 0.78 0.00 0.00 0.00 178.15 178.41 2kk0 h ASN 84 N 0.09 0.27 1.71 1.72 2.35 -0.60 -2.83 115.58 118.28 2kk0 h ASN 84 Ca 0.05 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2kk0 h ASN 84 Cb 0.03 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2kk0 h ASN 84 CO -0.05 0.66 -0.02 0.11 -1.65 0.00 0.00 177.43 176.48 2kk0 h LYS 85 N 0.22 0.00 0.00 0.81 1.79 -0.52 -3.47 116.57 115.40 2kk0 h LYS 85 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2kk0 h LYS 85 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2kk0 h LYS 85 CO 0.06 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.06 2kk0 n LYS 86 N -2.65 -1.21 -0.05 3.15 4.76 0.40 -4.83 118.16 117.72 2kk0 n LYS 86 Ca 0.05 0.30 -0.00 0.00 -2.87 0.00 0.00 58.31 55.79 2kk0 n LYS 86 Cb 0.48 -4.52 0.01 0.00 -1.84 0.00 0.00 35.03 29.16 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 2.05 0.15 -0.35 -0.00 -1.22 -4.08 117.00 113.55 2kk0 n LEU 87 Ca 0.00 -1.03 0.19 0.00 -0.00 0.00 0.00 56.01 55.17 2kk0 n LEU 87 Cb 0.30 -0.51 0.76 0.00 -0.00 0.00 0.00 43.42 43.98 2kk0 n LEU 87 CO 0.00 0.38 1.17 -0.50 -0.00 0.00 0.00 177.39 178.43 2kk0 h TRP 88 N 0.13 0.00 -0.42 1.47 4.06 -1.88 0.61 115.95 119.92 2kk0 h TRP 88 Ca 0.01 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.04 2kk0 h TRP 88 Cb 0.79 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.88 2kk0 h TRP 88 CO 0.06 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.94 2kk0 h ARG 89 N 0.00 0.11 -0.24 0.49 2.47 -1.97 0.57 114.38 115.80 2kk0 h ARG 89 Ca 0.14 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.73 2kk0 h ARG 89 Cb 0.96 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 2kk0 h ARG 89 CO -0.00 0.07 -0.40 0.93 0.56 0.00 0.00 179.97 181.13 2kk0 h GLU 90 N 0.11 0.56 0.33 0.04 4.39 -1.23 -1.59 114.58 117.19 2kk0 h GLU 90 Ca 0.21 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2kk0 h GLU 90 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2kk0 h GLU 90 CO -0.34 0.87 -0.16 0.82 -1.16 0.00 0.00 179.01 179.03 2kk0 h ILE 91 N 0.47 0.68 -0.40 3.13 1.08 -1.24 0.28 117.51 121.51 2kk0 h ILE 91 Ca 0.04 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 2kk0 h ILE 91 Cb 0.90 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.51 2kk0 h ILE 91 CO 0.08 0.08 0.22 0.74 -0.69 0.00 0.00 178.15 178.58 2kk0 h THR 92 N -0.67 1.02 -0.67 -0.27 2.02 -0.94 -2.21 112.91 111.19 2kk0 h THR 92 Ca -0.05 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2kk0 h THR 92 Cb 0.47 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2kk0 h THR 92 CO 0.08 0.08 0.34 0.50 0.37 0.00 0.00 175.52 176.89 2kk0 h LYS 93 N 0.45 0.94 0.00 6.66 1.63 -1.26 -2.23 116.57 122.76 2kk0 h LYS 93 Ca 0.16 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2kk0 h LYS 93 Cb 0.03 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 2kk0 h LYS 93 CO -0.09 0.71 0.00 0.78 -3.45 0.00 0.00 179.45 177.40 2kk0 h GLY 94 N 1.00 0.00 -2.93 5.01 0.00 0.21 -0.75 103.07 105.61 2kk0 h GLY 94 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2kk0 h GLY 94 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.55 2kk0 n LEU 95 N -2.81 4.51 -1.62 3.11 4.77 -0.86 -4.91 117.00 119.18 2kk0 n LEU 95 Ca -0.01 -2.28 -0.17 0.00 -0.03 0.00 0.00 56.01 53.52 2kk0 n LEU 95 Cb 0.13 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 2kk0 n LEU 95 CO 0.19 0.75 -0.19 -3.20 -1.33 0.00 0.00 177.39 173.61 2kk0 n ASN 96 N 1.03 -5.10 -4.89 -1.43 4.05 -0.29 -5.00 115.26 103.64 2kk0 n ASN 96 Ca 0.24 0.23 -0.30 0.00 0.45 0.00 0.00 54.58 55.20 2kk0 n ASN 96 Cb 0.85 -4.15 -0.04 0.00 1.23 0.00 0.00 39.78 37.67 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 -4.42 4.04 -0.32 1.20 1.43 -1.05 -5.04 118.68 114.52 2kk0 s LEU 97 Ca 0.00 0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 2kk0 s LEU 97 Cb 0.00 -3.70 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 2kk0 s LEU 97 CO 0.00 -0.20 1.64 -2.16 0.23 0.00 0.00 176.35 175.86 2kk0 s PRO 98 N -3.37 3.53 0.00 1.29 0.04 -1.26 -4.36 135.00 130.87 2kk0 s PRO 98 Ca 0.47 1.36 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2kk0 s PRO 98 Cb -0.11 -4.10 0.47 0.00 0.04 0.00 0.00 34.50 30.80 2kk0 s PRO 98 CO 0.27 -1.62 0.88 -2.37 0.04 0.00 0.00 177.00 174.20 2kk0 n THR 99 N 7.05 0.00 1.25 1.26 5.66 -1.26 -2.41 114.28 125.83 2kk0 n THR 99 Ca 0.20 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.33 2kk0 n THR 99 Cb 0.47 -0.65 0.36 0.00 -1.55 0.00 0.00 70.33 68.96 2kk0 n THR 99 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2kk0 n SER 100 N -0.83 2.08 -4.68 1.09 3.41 -1.26 -4.94 113.62 108.49 2kk0 n SER 100 Ca 0.06 -1.70 -0.44 0.00 -0.26 0.00 0.00 58.87 56.52 2kk0 n SER 100 Cb 0.03 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 2kk0 n SER 100 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2kk0 n ILE 101 N 0.62 0.95 -1.52 -1.33 5.41 -1.01 -4.83 119.36 117.65 2kk0 n ILE 101 Ca 0.17 -0.24 -0.48 0.00 1.00 0.00 0.00 62.75 63.21 2kk0 n ILE 101 Cb 0.44 -1.54 -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 1.95 0.27 -2.58 1.39 -1.04 -1.26 -1.48 114.28 111.53 2kk0 n THR 102 Ca 0.11 -0.32 -0.21 0.00 -2.04 0.00 0.00 64.05 61.59 2kk0 n THR 102 Cb 0.32 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 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 10.31 -5.85 -0.27 8.00 7.64 -1.26 -4.88 113.62 127.31 2kk0 n SER 103 Ca 0.36 -0.10 0.05 0.00 1.01 0.00 0.00 58.87 60.18 2kk0 n SER 103 Cb 0.31 -4.81 0.14 0.00 -1.01 0.00 0.00 64.21 58.85 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 0.97 0.72 -0.69 -0.43 0.00 -1.62 0.10 119.26 118.31 2kk0 h ALA 104 Ca -0.49 0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.79 2kk0 h ALA 104 Cb 1.36 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 2kk0 h ALA 104 CO 0.56 -0.43 0.46 0.00 0.00 0.00 0.00 179.25 179.84 2kk0 h ALA 105 N 1.74 1.97 0.00 0.00 0.00 -1.90 -1.22 119.26 119.86 2kk0 h ALA 105 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2kk0 h ALA 105 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kk0 h ALA 105 CO -0.72 -0.13 -0.09 0.35 0.00 0.00 0.00 179.25 178.66 2kk0 h PHE 106 N 0.49 0.08 -0.14 0.00 3.57 -1.22 -3.01 116.94 116.72 2kk0 h PHE 106 Ca 0.32 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.82 2kk0 h PHE 106 Cb 0.59 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 2kk0 h PHE 106 CO -0.00 0.89 -0.18 1.15 -2.23 0.00 0.00 178.31 177.94 2kk0 h THR 107 N -0.74 0.53 -0.81 4.41 2.02 -0.79 0.12 112.91 117.65 2kk0 h THR 107 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2kk0 h THR 107 Cb 0.91 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2kk0 h THR 107 CO 0.02 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.37 2kk0 h LEU 108 N -0.22 0.91 0.01 2.58 3.38 -1.40 -2.21 115.31 118.36 2kk0 h LEU 108 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2kk0 h LEU 108 Cb 0.37 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kk0 h LEU 108 CO -0.27 0.65 -0.00 -0.09 0.09 0.00 0.00 178.44 178.82 2kk0 h ARG 109 N 1.08 -0.01 0.05 1.13 2.43 -1.19 0.12 114.38 117.98 2kk0 h ARG 109 Ca 0.30 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2kk0 h ARG 109 Cb -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2kk0 h ARG 109 CO -0.08 0.03 -0.02 1.15 -1.51 0.00 0.00 179.97 179.54 2kk0 h THR 110 N -0.05 1.01 -0.71 0.20 2.02 -0.91 0.41 112.91 114.88 2kk0 h THR 110 Ca -0.00 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2kk0 h THR 110 Cb 0.05 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2kk0 h THR 110 CO 0.00 0.05 0.43 1.56 0.37 0.00 0.00 175.52 177.93 2kk0 h GLN 111 N -0.14 0.97 -0.57 6.66 1.08 -1.36 -2.17 115.11 119.58 2kk0 h GLN 111 Ca -0.01 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2kk0 h GLN 111 Cb 0.13 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 2kk0 h GLN 111 CO 0.01 0.69 0.37 -0.92 -0.95 0.00 0.00 178.83 178.03 2kk0 h TYR 112 N 0.97 0.69 -0.39 2.96 5.03 -0.61 -2.31 116.97 123.32 2kk0 h TYR 112 Ca 0.26 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.56 2kk0 h TYR 112 Cb -0.03 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 2kk0 h TYR 112 CO -0.01 0.43 0.12 1.98 -1.32 0.00 0.00 178.16 179.36 2kk0 h MET 113 N 0.74 0.55 0.15 1.82 4.05 -0.41 0.35 114.93 122.19 2kk0 h MET 113 Ca 0.21 -0.08 -0.31 0.00 -0.28 0.00 0.00 59.70 59.25 2kk0 h MET 113 Cb -0.06 -0.10 0.03 0.00 -0.80 0.00 0.00 31.60 30.67 2kk0 h MET 113 CO -0.06 0.49 -1.30 0.87 0.23 0.00 0.00 176.91 177.14 2kk0 h LYS 114 N 0.55 0.57 0.00 0.39 1.57 -1.19 -3.37 116.57 115.09 2kk0 h LYS 114 Ca 0.13 -0.82 -0.39 0.00 -1.87 0.00 0.00 60.65 57.70 2kk0 h LYS 114 Cb 0.17 0.28 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 2kk0 h LYS 114 CO -0.01 1.38 -2.30 0.66 -0.57 0.00 0.00 179.45 178.61 2kk0 n TYR 115 N -3.75 0.00 -0.08 -1.35 4.02 -0.89 -4.82 117.16 110.29 2kk0 n TYR 115 Ca -0.14 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.68 2kk0 n TYR 115 Cb 1.02 -0.91 -0.16 0.00 -0.02 0.00 0.00 39.34 39.27 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 -4.26 0.07 -0.09 7.72 4.77 0.91 -4.49 117.00 121.63 2kk0 n LEU 116 Ca -0.48 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.47 2kk0 n LEU 116 Cb 0.83 0.41 0.01 0.00 -2.33 0.00 0.00 43.42 42.33 2kk0 n LEU 116 CO 0.06 0.42 0.90 0.22 -1.33 0.00 0.00 177.39 177.66 2kk0 h TYR 117 N 0.00 0.12 -0.50 -1.77 3.20 -0.80 -0.98 116.97 116.25 2kk0 h TYR 117 Ca -0.46 0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.57 2kk0 h TYR 117 Cb 2.07 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 40.31 2kk0 h TYR 117 CO 0.00 0.03 0.40 -1.00 -1.64 0.00 0.00 178.16 175.95 2kk0 h PRO 118 N 0.19 0.00 -0.03 1.82 0.13 -1.79 -1.20 132.00 131.13 2kk0 h PRO 118 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.24 2kk0 h PRO 118 Cb 0.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.29 2kk0 h PRO 118 CO -0.19 0.00 -0.16 -0.92 -0.23 0.00 0.00 178.00 176.50 2kk0 h TYR 119 N 0.00 0.21 -0.43 1.56 3.20 -1.43 -2.23 116.97 117.85 2kk0 h TYR 119 Ca 0.24 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 2kk0 h TYR 119 Cb 1.03 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2kk0 h TYR 119 CO 0.00 0.82 -0.12 1.05 -1.64 0.00 0.00 178.16 178.27 2kk0 h GLU 120 N -0.46 0.79 -0.22 1.82 4.11 -1.12 0.17 114.58 119.67 2kk0 h GLU 120 Ca -0.01 -0.27 -0.07 0.00 0.07 0.00 0.00 59.36 59.08 2kk0 h GLU 120 Cb 0.84 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2kk0 h GLU 120 CO 0.03 0.87 -0.17 0.00 0.07 0.00 0.00 179.01 179.81 2kk0 n GLU 122 N -4.19 0.06 0.14 0.00 4.07 -0.84 -3.11 120.64 116.77 2kk0 n GLU 122 Ca -0.00 0.28 0.04 0.00 -0.06 0.00 0.00 57.16 57.41 2kk0 n GLU 122 Cb 0.33 -0.87 0.45 0.00 -0.06 0.00 0.00 31.44 31.29 2kk0 n GLU 122 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2kk0 h LYS 123 N -0.14 0.21 0.00 5.31 1.79 -0.83 -3.28 116.57 119.62 2kk0 h LYS 123 Ca 0.00 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.24 2kk0 h LYS 123 Cb 0.07 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 2kk0 h LYS 123 CO 0.00 0.29 -1.73 0.54 -1.08 0.00 0.00 179.45 177.47 2kk0 n ARG 124 N -4.34 0.89 -2.59 3.15 5.12 -1.01 -5.04 116.66 112.83 2kk0 n ARG 124 Ca -0.01 0.05 -0.08 0.00 -1.93 0.00 0.00 57.85 55.88 2kk0 n ARG 124 Cb 0.21 -1.26 0.02 0.00 -1.16 0.00 0.00 32.46 30.27 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 2.73 0.26 0.21 -0.13 0.00 0.24 -4.97 105.19 103.54 2kk0 n GLY 125 Ca -0.21 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.58 0.63 -8.39 0.99 3.38 -1.73 -3.47 115.31 106.15 2kk0 h LEU 126 Ca -0.20 -0.35 -0.16 0.00 0.09 0.00 0.00 57.88 57.27 2kk0 h LEU 126 Cb 1.13 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 2kk0 h LEU 126 CO 0.21 1.07 -0.44 -0.94 0.09 0.00 0.00 178.44 178.43 2kk0 s SER 127 N -6.93 0.09 0.10 -0.43 1.04 -1.26 -4.91 113.70 101.40 2kk0 s SER 127 Ca -0.07 -1.15 0.09 0.00 0.48 0.00 0.00 55.95 55.30 2kk0 s SER 127 Cb 0.11 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2kk0 s SER 127 CO 0.84 -0.91 -0.21 0.20 0.98 0.00 0.00 173.24 174.14 2kk0 s ASN 128 N -3.07 3.67 0.63 7.02 0.01 -1.26 -4.70 114.94 117.24 2kk0 s ASN 128 Ca 0.29 -0.59 0.39 0.00 -0.71 0.00 0.00 52.86 52.23 2kk0 s ASN 128 Cb 0.04 -0.45 2.16 0.00 0.41 0.00 0.00 41.25 43.42 2kk0 s ASN 128 CO 0.08 0.20 2.31 1.55 -1.51 0.00 0.00 177.10 179.72 2kk0 h PRO 129 N 3.96 0.00 0.01 -0.60 0.13 -2.01 -2.20 132.00 131.29 2kk0 h PRO 129 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kk0 h PRO 129 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kk0 h PRO 129 CO 0.44 0.01 -0.00 -0.91 -0.23 0.00 0.00 178.00 177.30 2kk0 h ASN 130 N 0.00 -0.01 -0.32 1.44 2.35 -2.01 -3.13 115.58 113.90 2kk0 h ASN 130 Ca -0.00 -0.78 -0.00 0.00 -0.55 0.00 0.00 56.30 54.96 2kk0 h ASN 130 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2kk0 h ASN 130 CO 0.00 0.87 0.20 1.05 -1.65 0.00 0.00 177.43 177.90 2kk0 h GLU 131 N -0.97 0.45 -0.09 0.81 4.11 -1.95 -2.51 114.58 114.42 2kk0 h GLU 131 Ca -0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.43 2kk0 h GLU 131 Cb 0.79 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 2kk0 h GLU 131 CO 0.00 0.33 -0.14 1.25 0.07 0.00 0.00 179.01 180.51 2kk0 h LEU 132 N 0.46 -0.44 -0.89 3.06 5.85 -1.50 -1.65 115.31 120.21 2kk0 h LEU 132 Ca 0.12 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.99 2kk0 h LEU 132 Cb -0.01 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2kk0 h LEU 132 CO -0.02 -0.19 0.55 -0.61 -0.34 0.00 0.00 178.44 177.83 2kk0 h GLN 133 N -0.19 0.96 -0.35 1.25 5.75 -1.39 -1.40 115.11 119.73 2kk0 h GLN 133 Ca 0.08 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2kk0 h GLN 133 Cb 0.31 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2kk0 h GLN 133 CO -0.21 0.63 0.12 0.00 -2.65 0.00 0.00 178.83 176.73 2kk0 h ALA 134 N 1.43 0.46 -0.33 3.38 0.00 -1.40 -0.80 119.26 122.00 2kk0 h ALA 134 Ca 0.40 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2kk0 h ALA 134 Cb 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2kk0 h ALA 134 CO -0.19 0.09 0.04 0.00 0.00 0.00 0.00 179.25 179.18 2kk0 h ALA 135 N 0.97 0.33 -0.67 0.00 0.00 -0.61 -1.84 119.26 117.44 2kk0 h ALA 135 Ca 0.12 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2kk0 h ALA 135 Cb 0.22 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2kk0 h ALA 135 CO -0.01 -0.37 0.10 0.82 0.00 0.00 0.00 179.25 179.80 2kk0 h ILE 136 N 0.14 1.26 -0.60 0.00 2.04 -1.18 -2.82 117.51 116.35 2kk0 h ILE 136 Ca 0.16 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.02 2kk0 h ILE 136 Cb 0.20 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 2kk0 h ILE 136 CO -0.23 0.39 0.34 -0.78 0.00 0.00 0.00 178.15 177.87 2kk0 h ASP 137 N 1.03 0.52 -0.94 1.72 1.82 -0.76 -1.22 116.42 118.59 2kk0 h ASP 137 Ca 0.20 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.90 2kk0 h ASP 137 Cb 0.45 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 40.32 2kk0 h ASP 137 CO 0.01 0.35 0.62 0.28 -1.61 0.00 0.00 179.24 178.89 2kk0 h SER 138 N 0.65 1.01 0.23 2.28 0.02 -1.16 -0.10 113.55 116.48 2kk0 h SER 138 Ca 0.26 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 2kk0 h SER 138 Cb 0.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2kk0 h SER 138 CO -0.15 0.69 -0.44 0.78 -1.14 0.00 0.00 176.83 176.58 2kk0 h ASN 139 N 1.17 0.28 0.15 3.07 -0.26 -1.10 -2.32 115.58 116.57 2kk0 h ASN 139 Ca 0.38 -0.12 -0.12 0.00 -0.56 0.00 0.00 56.30 55.88 2kk0 h ASN 139 Cb 0.04 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 2kk0 h ASN 139 CO -0.12 0.69 -0.42 0.03 -1.06 0.00 0.00 177.43 176.54 2kk0 h ARG 140 N 0.22 0.34 -0.76 0.81 3.08 -0.47 -3.16 114.38 114.45 2kk0 h ARG 140 Ca 0.02 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 2kk0 h ARG 140 Cb 0.86 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 2kk0 h ARG 140 CO 0.07 0.71 0.33 -0.09 -1.07 0.00 0.00 179.97 179.91 2kk0 h ARG 141 N 0.28 1.12 -6.46 0.04 2.43 -0.53 -3.42 114.38 107.84 2kk0 h ARG 141 Ca 0.02 -0.18 -0.54 0.00 -0.81 0.00 0.00 59.98 58.48 2kk0 h ARG 141 Cb 0.86 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2kk0 h ARG 141 CO 0.07 0.89 0.85 -1.21 -1.51 0.00 0.00 179.97 179.06 2kk0 s GLU 142 N -5.55 4.27 0.00 0.20 2.02 -0.93 -2.55 118.70 116.14 2kk0 s GLU 142 Ca -0.12 2.12 0.00 0.00 0.02 0.00 0.00 54.97 56.99 2kk0 s GLU 142 Cb 0.16 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2kk0 s GLU 142 CO 0.83 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2kk0 n GLY 143 N 3.70 1.98 3.94 -1.39 0.00 -1.26 -4.38 105.19 107.78 2kk0 n GLY 143 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2kk0 n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kk0 s ARG 144 N -0.14 3.34 0.00 1.61 0.52 -1.06 -5.04 118.95 118.18 2kk0 s ARG 144 Ca 0.00 -0.35 0.06 0.00 -0.52 0.00 0.00 55.73 54.93 2kk0 s ARG 144 Cb 0.00 -2.60 0.39 0.00 0.52 0.00 0.00 34.95 33.25 2kk0 s ARG 144 CO 0.00 -0.02 0.85 2.89 0.02 0.00 0.00 175.30 179.04