#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 0.78 3.53 3.17 0.00 -1.26 -4.90 105.19 106.51 2kk0 n GLY 2 Ca 0.00 -0.56 -0.47 0.00 0.00 0.00 0.00 46.02 44.99 2kk0 n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kk0 n HIS 3 N 14.98 1.82 -2.63 1.61 -0.00 -1.26 -4.93 115.22 124.81 2kk0 n HIS 3 Ca 0.44 0.08 -0.42 0.00 -0.00 0.00 0.00 57.72 57.82 2kk0 n HIS 3 Cb 0.46 -2.63 -0.03 0.00 -0.00 0.00 0.00 29.99 27.79 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 7.46 3.58 -0.04 -1.40 4.02 -1.26 -4.99 115.29 122.66 2kk0 s HIS 4 Ca 1.04 1.58 -0.17 0.00 1.02 0.00 0.00 55.06 58.53 2kk0 s HIS 4 Cb -0.62 -3.21 -0.11 0.00 -1.02 0.00 0.00 32.58 27.62 2kk0 s HIS 4 CO 0.43 -0.37 0.72 1.25 1.02 0.00 0.00 174.74 177.80 2kk0 h HIS 5 N 6.84 -0.38 -1.98 1.40 -0.00 -2.04 -3.48 115.15 115.50 2kk0 h HIS 5 Ca -0.40 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 59.91 2kk0 h HIS 5 Cb 1.21 0.13 -0.19 0.00 -0.00 0.00 0.00 27.41 28.56 2kk0 h HIS 5 CO 0.68 -0.10 0.21 -1.01 -0.00 0.00 0.00 177.93 177.71 2kk0 s HIS 6 N -3.37 -0.64 0.04 5.26 0.09 -1.26 -5.16 115.29 110.24 2kk0 s HIS 6 Ca -0.10 1.10 -0.01 0.00 -0.00 0.00 0.00 55.06 56.06 2kk0 s HIS 6 Cb 0.01 0.41 -0.03 0.00 -0.00 0.00 0.00 32.58 32.97 2kk0 s HIS 6 CO 0.33 -0.60 -0.02 -1.01 -0.00 0.00 0.00 174.74 173.44 2kk0 s HIS 7 N -1.20 0.42 0.20 1.40 3.76 -1.26 -5.18 115.29 113.43 2kk0 s HIS 7 Ca -0.10 -0.86 0.09 0.00 -0.15 0.00 0.00 55.06 54.04 2kk0 s HIS 7 Cb -0.00 -0.31 -0.04 0.00 1.11 0.00 0.00 32.58 33.34 2kk0 s HIS 7 CO 0.09 -0.31 -0.11 -1.01 -0.85 0.00 0.00 174.74 172.55 2kk0 s HIS 8 N -3.03 2.58 -0.85 1.40 0.09 -1.26 -5.08 115.29 109.14 2kk0 s HIS 8 Ca -0.01 -0.25 -0.25 0.00 -0.00 0.00 0.00 55.06 54.55 2kk0 s HIS 8 Cb 0.01 -1.24 0.04 0.00 -0.00 0.00 0.00 32.58 31.39 2kk0 s HIS 8 CO -0.07 0.54 1.35 -1.54 -0.00 0.00 0.00 174.74 175.02 2kk0 s SER 9 N -2.95 6.27 -1.50 1.40 1.04 -1.26 -4.91 113.70 111.80 2kk0 s SER 9 Ca 0.25 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 2kk0 s SER 9 Cb -0.08 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.48 2kk0 s SER 9 CO 0.15 -1.72 2.50 0.00 0.98 0.00 0.00 173.24 175.15 2kk0 n HIS 10 N 9.25 2.98 -3.47 5.02 1.44 -1.26 -4.84 115.22 124.34 2kk0 n HIS 10 Ca 0.15 -3.00 -0.11 0.00 -2.01 0.00 0.00 57.72 52.75 2kk0 n HIS 10 Cb 0.50 -2.43 -0.02 0.00 0.12 0.00 0.00 29.99 28.16 2kk0 n HIS 10 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kk0 s MET 11 N 2.23 1.32 -1.19 -1.40 0.00 -1.26 -5.07 119.30 113.92 2kk0 s MET 11 Ca 0.56 -0.53 -0.19 0.00 0.00 0.00 0.00 55.69 55.53 2kk0 s MET 11 Cb 0.16 0.58 -0.03 0.00 0.00 0.00 0.00 34.83 35.54 2kk0 s MET 11 CO -0.07 -0.58 1.98 -2.30 0.00 0.00 0.00 175.02 174.05 2kk0 n PRO 12 N -0.38 2.37 -0.06 3.16 -0.02 -1.26 -4.52 135.00 134.28 2kk0 n PRO 12 Ca -0.16 -2.55 -0.17 0.00 -2.02 0.00 0.00 63.50 58.61 2kk0 n PRO 12 Cb 0.64 -3.32 -0.14 0.00 -0.02 0.00 0.00 33.50 30.67 2kk0 n PRO 12 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kk0 n ASP 13 N 8.44 1.58 -4.56 2.55 5.75 -1.26 -4.82 116.55 124.24 2kk0 n ASP 13 Ca 0.49 0.08 -0.32 0.00 -0.01 0.00 0.00 54.79 55.03 2kk0 n ASP 13 Cb 0.42 -0.31 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 2kk0 n ASP 13 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2kk0 s HIS 14 N -2.54 1.78 0.19 2.11 5.04 -1.26 -4.70 115.29 115.91 2kk0 s HIS 14 Ca -0.23 0.63 -0.11 0.00 -1.54 0.00 0.00 55.06 53.81 2kk0 s HIS 14 Cb 0.08 -4.10 0.21 0.00 0.04 0.00 0.00 32.58 28.81 2kk0 s HIS 14 CO 0.73 -2.00 1.76 0.78 -2.34 0.00 0.00 174.74 173.67 2kk0 h GLY 15 N 16.97 0.77 -7.39 1.59 0.00 -1.92 -3.36 103.07 109.73 2kk0 h GLY 15 Ca -0.06 -0.13 -0.51 0.00 0.00 0.00 0.00 47.33 46.63 2kk0 h GLY 15 CO 1.22 0.03 1.44 0.51 0.00 0.00 0.00 176.54 179.74 2kk0 s ASP 16 N -5.42 6.03 0.23 0.19 -4.77 -1.26 -4.70 116.67 106.96 2kk0 s ASP 16 Ca -0.13 -1.57 0.21 0.00 -3.30 0.00 0.00 52.55 47.76 2kk0 s ASP 16 Cb 0.15 -2.57 0.04 0.00 -1.09 0.00 0.00 42.92 39.45 2kk0 s ASP 16 CO 0.74 -1.97 1.13 -0.50 0.70 0.00 0.00 175.17 175.27 2kk0 h TRP 17 N 9.54 0.00 -4.29 2.11 4.06 -1.96 -3.47 115.95 121.94 2kk0 h TRP 17 Ca 0.24 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.68 2kk0 h TRP 17 Cb 0.96 0.00 0.14 0.00 -1.00 0.00 0.00 29.16 29.26 2kk0 h TRP 17 CO 1.29 0.12 0.31 0.95 -3.56 0.00 0.00 178.44 177.55 2kk0 s THR 18 N -3.25 3.08 -1.19 1.49 -4.23 -1.26 -4.91 115.64 105.37 2kk0 s THR 18 Ca 0.01 0.38 -0.21 0.00 -1.18 0.00 0.00 61.69 60.68 2kk0 s THR 18 Cb 0.09 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 2kk0 s THR 18 CO 0.77 -0.43 1.81 -0.31 -0.54 0.00 0.00 174.62 175.92 2kk0 s TYR 19 N -2.75 2.32 -0.15 3.99 1.51 -1.26 -4.85 117.35 116.16 2kk0 s TYR 19 Ca 0.63 -0.48 -0.05 0.00 -1.01 0.00 0.00 57.07 56.17 2kk0 s TYR 19 Cb -0.19 -4.37 0.08 0.00 -0.11 0.00 0.00 41.96 37.36 2kk0 s TYR 19 CO 0.54 -1.56 0.28 -2.00 -1.11 0.00 0.00 175.55 171.70 2kk0 s GLU 20 N 5.49 0.18 0.13 -0.62 2.12 -1.26 -5.07 118.70 119.67 2kk0 s GLU 20 Ca 0.61 0.68 -0.17 0.00 0.36 0.00 0.00 54.97 56.45 2kk0 s GLU 20 Cb 0.01 -0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.18 2kk0 s GLU 20 CO 0.08 -0.36 1.68 0.93 -0.54 0.00 0.00 175.26 177.04 2kk0 h GLU 21 N 8.27 0.54 -2.67 4.30 5.08 -1.89 -3.41 114.58 124.81 2kk0 h GLU 21 Ca -0.15 -0.10 -0.50 0.00 -1.00 0.00 0.00 59.36 57.62 2kk0 h GLU 21 Cb 1.12 -0.09 -0.39 0.00 0.50 0.00 0.00 28.75 29.89 2kk0 h GLU 21 CO 0.16 0.52 -0.76 1.14 -1.00 0.00 0.00 179.01 179.07 2kk0 s GLN 22 N -5.58 0.23 0.69 2.33 1.03 -1.26 -3.76 119.66 113.34 2kk0 s GLN 22 Ca -0.13 -0.49 -0.15 0.00 0.04 0.00 0.00 55.36 54.62 2kk0 s GLN 22 Cb 0.10 -1.08 0.02 0.00 0.03 0.00 0.00 33.01 32.08 2kk0 s GLN 22 CO 0.74 -1.03 1.16 -0.59 -2.54 0.00 0.00 175.29 173.03 2kk0 s PHE 23 N 2.10 2.33 0.21 9.60 -0.12 -1.26 -4.91 117.98 125.94 2kk0 s PHE 23 Ca 0.09 1.58 0.35 0.00 -0.05 0.00 0.00 56.93 58.90 2kk0 s PHE 23 Cb -0.16 -3.32 1.73 0.00 -0.63 0.00 0.00 43.02 40.64 2kk0 s PHE 23 CO -0.35 -2.15 2.06 -0.22 -0.05 0.00 0.00 175.22 174.52 2kk0 h LYS 24 N -0.13 0.00 -0.77 1.99 1.63 -2.01 -3.17 116.57 114.12 2kk0 h LYS 24 Ca -0.47 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.49 2kk0 h LYS 24 Cb 1.27 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.80 2kk0 h LYS 24 CO 0.52 0.00 0.28 0.37 -3.45 0.00 0.00 179.45 177.17 2kk0 h GLN 25 N 0.00 0.38 -0.74 1.90 5.75 -1.95 0.59 115.11 121.04 2kk0 h GLN 25 Ca 0.00 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2kk0 h GLN 25 Cb 0.20 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 2kk0 h GLN 25 CO 0.00 0.25 0.49 -0.07 -2.65 0.00 0.00 178.83 176.85 2kk0 h LEU 26 N 0.39 0.73 -0.72 -2.39 3.38 -1.94 -1.00 115.31 113.77 2kk0 h LEU 26 Ca 0.43 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 2kk0 h LEU 26 Cb 0.71 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2kk0 h LEU 26 CO -0.45 0.48 -0.57 1.88 0.09 0.00 0.00 178.44 179.87 2kk0 h TYR 27 N 0.84 0.27 -0.25 1.13 -1.99 -1.12 -3.25 116.97 112.59 2kk0 h TYR 27 Ca 0.31 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.92 2kk0 h TYR 27 Cb 0.17 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 2kk0 h TYR 27 CO -0.00 0.73 -0.00 0.39 -0.00 0.00 0.00 178.16 179.28 2kk0 n GLU 28 N -3.89 2.66 -0.16 4.88 1.02 -0.91 -4.03 120.64 120.21 2kk0 n GLU 28 Ca -0.02 -2.86 -0.05 0.00 -0.02 0.00 0.00 57.16 54.20 2kk0 n GLU 28 Cb 0.59 -1.82 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2kk0 n GLU 28 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kk0 h LEU 29 N 1.55 -0.96 0.00 -4.62 3.38 -1.24 -3.36 115.31 110.07 2kk0 h LEU 29 Ca 0.03 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2kk0 h LEU 29 Cb 1.44 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2kk0 h LEU 29 CO 0.23 -0.28 -1.21 -0.67 0.09 0.00 0.00 178.44 176.60 2kk0 n ASP 30 N -5.42 3.84 0.00 -0.43 2.03 -1.26 -5.07 116.55 110.24 2kk0 n ASP 30 Ca 0.03 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2kk0 n ASP 30 Cb 0.34 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 3.21 0.87 3.71 0.27 0.00 -1.26 -5.13 105.19 106.88 2kk0 n GLY 31 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2kk0 n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kk0 s ASP 32 N -0.41 6.91 0.53 1.61 1.01 -1.26 -4.91 116.67 120.15 2kk0 s ASP 32 Ca 0.00 2.21 0.20 0.00 0.71 0.00 0.00 52.55 55.67 2kk0 s ASP 32 Cb 0.00 -2.58 1.38 0.00 1.01 0.00 0.00 42.92 42.73 2kk0 s ASP 32 CO 0.00 -0.60 2.14 1.55 0.21 0.00 0.00 175.17 178.47 2kk0 h PRO 33 N 6.87 0.00 0.00 8.23 0.13 -2.00 -0.75 132.00 144.48 2kk0 h PRO 33 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kk0 h PRO 33 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kk0 h PRO 33 CO 0.85 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.25 2kk0 n LYS 34 N -4.39 0.22 -0.04 0.86 4.76 -1.26 -2.78 118.16 115.52 2kk0 n LYS 34 Ca -0.01 0.37 -0.13 0.00 -2.87 0.00 0.00 58.31 55.67 2kk0 n LYS 34 Cb 0.17 -1.86 -0.07 0.00 -1.84 0.00 0.00 35.03 31.43 2kk0 n LYS 34 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2kk0 h ARG 35 N 0.00 0.26 -0.15 1.97 2.43 -1.44 0.75 114.38 118.19 2kk0 h ARG 35 Ca 0.00 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 58.89 2kk0 h ARG 35 Cb 0.47 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2kk0 h ARG 35 CO 0.00 0.60 -0.60 1.57 -1.51 0.00 0.00 179.97 180.02 2kk0 h LYS 36 N -0.09 0.51 -0.46 0.20 -0.00 -1.67 -1.62 116.57 113.43 2kk0 h LYS 36 Ca 0.03 -0.34 0.01 0.00 -0.00 0.00 0.00 60.65 60.35 2kk0 h LYS 36 Cb 0.52 0.05 -0.03 0.00 -0.00 0.00 0.00 32.23 32.77 2kk0 h LYS 36 CO 0.02 0.96 0.29 0.93 -0.00 0.00 0.00 179.45 181.65 2kk0 h GLU 37 N 0.38 0.58 0.42 0.07 5.08 -1.50 0.24 114.58 119.85 2kk0 h GLU 37 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2kk0 h GLU 37 Cb 1.15 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2kk0 h GLU 37 CO 0.11 0.38 -0.29 0.35 -1.00 0.00 0.00 179.01 178.57 2kk0 h PHE 38 N 0.60 -0.76 -0.93 4.33 3.04 -0.74 -2.10 116.94 120.37 2kk0 h PHE 38 Ca 0.18 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.16 2kk0 h PHE 38 Cb -0.04 0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.70 2kk0 h PHE 38 CO -0.05 -0.43 0.61 -0.07 -2.02 0.00 0.00 178.31 176.34 2kk0 h LEU 39 N -0.69 1.01 -0.05 0.59 3.38 -1.19 0.14 115.31 118.50 2kk0 h LEU 39 Ca -0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kk0 h LEU 39 Cb 0.58 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2kk0 h LEU 39 CO 0.03 0.69 0.03 -0.78 0.09 0.00 0.00 178.44 178.50 2kk0 h ASP 40 N 1.17 0.06 -0.29 -0.43 3.58 -0.83 0.66 116.42 120.34 2kk0 h ASP 40 Ca 0.37 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.66 2kk0 h ASP 40 Cb 0.02 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2kk0 h ASP 40 CO -0.11 0.13 -0.04 -0.78 -2.88 0.00 0.00 179.24 175.56 2kk0 h ASP 41 N -0.01 0.63 0.89 2.28 3.58 -1.03 -0.67 116.42 122.09 2kk0 h ASP 41 Ca 0.02 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 2kk0 h ASP 41 Cb 0.09 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 40.98 2kk0 h ASP 41 CO -0.00 0.73 -0.43 0.25 -2.88 0.00 0.00 179.24 176.91 2kk0 h LEU 42 N 0.62 -1.02 -0.93 2.28 5.85 -0.42 0.31 115.31 122.00 2kk0 h LEU 42 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2kk0 h LEU 42 Cb 0.45 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2kk0 h LEU 42 CO 0.02 -0.71 0.59 -0.26 -0.34 0.00 0.00 178.44 177.74 2kk0 h PHE 43 N -1.23 1.19 -0.31 1.25 0.04 -0.86 -1.85 116.94 115.18 2kk0 h PHE 43 Ca -0.12 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 2kk0 h PHE 43 Cb 0.92 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2kk0 h PHE 43 CO -0.01 0.77 0.13 1.03 -0.60 0.00 0.00 178.31 179.63 2kk0 h SER 44 N 1.27 0.43 0.26 2.17 0.87 -1.08 -1.26 113.55 116.20 2kk0 h SER 44 Ca 0.34 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2kk0 h SER 44 Cb -0.11 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2kk0 h SER 44 CO -0.07 0.47 -0.14 0.15 -0.53 0.00 0.00 176.83 176.71 2kk0 h PHE 45 N 0.36 -0.37 -0.05 2.24 3.57 0.06 0.20 116.94 122.94 2kk0 h PHE 45 Ca 0.10 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2kk0 h PHE 45 Cb 0.18 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2kk0 h PHE 45 CO -0.01 -0.23 -0.19 0.00 -2.23 0.00 0.00 178.31 175.66 2kk0 h MET 46 N -0.38 0.08 -0.44 1.11 -0.00 -1.38 -2.11 114.93 111.82 2kk0 h MET 46 Ca -0.03 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.70 59.57 2kk0 h MET 46 Cb 0.30 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 31.88 2kk0 h MET 46 CO 0.04 0.28 -0.04 0.37 -0.00 0.00 0.00 176.91 177.56 2kk0 h GLN 47 N 0.08 0.81 -0.78 -0.10 4.15 -0.65 0.16 115.11 118.78 2kk0 h GLN 47 Ca 0.01 -0.28 0.05 0.00 0.77 0.00 0.00 58.65 59.21 2kk0 h GLN 47 Cb 0.39 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 2kk0 h GLN 47 CO 0.03 0.89 0.48 0.87 -1.93 0.00 0.00 178.83 179.16 2kk0 h LYS 48 N 0.64 0.87 -0.01 1.69 1.57 0.03 -1.60 116.57 119.77 2kk0 h LYS 48 Ca 0.12 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2kk0 h LYS 48 Cb 0.55 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2kk0 h LYS 48 CO 0.03 0.58 0.00 2.89 -0.57 0.00 0.00 179.45 182.38 2kk0 n ARG 49 N -4.66 1.04 -1.09 3.15 1.85 -0.94 -4.88 116.66 111.14 2kk0 n ARG 49 Ca 0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 2kk0 n ARG 49 Cb 0.14 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 2kk0 n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kk0 n GLY 50 N 0.91 1.03 2.77 2.89 0.00 -0.60 -5.06 105.19 107.12 2kk0 n GLY 50 Ca 0.19 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.37 -0.86 0.71 2.61 -1.32 0.55 -5.01 115.64 109.95 2kk0 s THR 51 Ca 0.00 -0.82 -0.09 0.00 -1.21 0.00 0.00 61.69 59.58 2kk0 s THR 51 Cb 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 72.50 71.04 2kk0 s THR 51 CO 0.00 0.00 1.05 -2.16 -2.21 0.00 0.00 174.62 171.30 2kk0 s PRO 52 N 0.94 2.37 -0.25 7.08 0.04 -1.24 -3.85 135.00 140.09 2kk0 s PRO 52 Ca 0.28 -0.01 -0.24 0.00 0.04 0.00 0.00 61.00 61.07 2kk0 s PRO 52 Cb 0.02 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2kk0 s PRO 52 CO -0.06 -1.20 0.79 0.08 0.04 0.00 0.00 177.00 176.65 2kk0 s VAL 53 N -3.30 4.86 -0.16 -0.36 1.01 -1.26 -4.94 120.40 116.25 2kk0 s VAL 53 Ca 0.59 1.47 -0.03 0.00 0.00 0.00 0.00 61.98 64.01 2kk0 s VAL 53 Cb -0.11 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.95 2kk0 s VAL 53 CO 0.47 -0.07 0.21 0.59 0.00 0.00 0.00 175.10 176.30 2kk0 n ASN 54 N 5.98 2.00 -3.88 3.32 3.02 -1.26 -4.83 115.26 119.61 2kk0 n ASN 54 Ca 0.04 0.12 -0.11 0.00 -0.03 0.00 0.00 54.58 54.60 2kk0 n ASN 54 Cb 0.48 -0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 38.86 2kk0 n ASN 54 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kk0 s ARG 55 N -2.55 0.29 0.12 3.52 1.81 -1.25 -4.24 118.95 116.65 2kk0 s ARG 55 Ca -0.25 -0.22 -0.30 0.00 -1.72 0.00 0.00 55.73 53.25 2kk0 s ARG 55 Cb 0.07 0.12 -0.06 0.00 -0.45 0.00 0.00 34.95 34.63 2kk0 s ARG 55 CO 0.73 -0.06 1.01 0.42 -0.68 0.00 0.00 175.30 176.72 2kk0 s ILE 56 N -0.79 4.32 0.23 1.52 1.01 -1.25 -5.03 121.20 121.23 2kk0 s ILE 56 Ca -0.09 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 2kk0 s ILE 56 Cb -0.05 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 2kk0 s ILE 56 CO 0.00 0.30 1.38 -2.16 0.00 0.00 0.00 174.94 174.46 2kk0 s PRO 57 N -0.04 4.32 -0.06 2.79 0.04 -1.26 -4.99 135.00 135.81 2kk0 s PRO 57 Ca 0.48 2.19 0.05 0.00 0.04 0.00 0.00 61.00 63.76 2kk0 s PRO 57 Cb -0.25 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 2kk0 s PRO 57 CO 0.31 -0.33 -0.20 0.42 0.04 0.00 0.00 177.00 177.23 2kk0 s ILE 58 N -0.04 2.48 -0.04 0.56 -1.09 -1.26 -2.37 121.20 119.44 2kk0 s ILE 58 Ca 0.57 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2kk0 s ILE 58 Cb -0.39 -1.94 0.02 0.00 -1.58 0.00 0.00 42.46 38.57 2kk0 s ILE 58 CO 0.42 0.57 -0.02 -0.32 -1.23 0.00 0.00 174.94 174.36 2kk0 s MET 59 N -0.32 0.52 -1.47 2.79 -2.45 -0.07 -4.85 119.30 113.46 2kk0 s MET 59 Ca 0.02 0.01 -0.03 0.00 -1.25 0.00 0.00 55.69 54.44 2kk0 s MET 59 Cb -0.13 -0.66 0.00 0.00 1.25 0.00 0.00 34.83 35.30 2kk0 s MET 59 CO 0.02 -0.13 0.39 0.00 1.05 0.00 0.00 175.02 176.35 2kk0 n ALA 60 N 4.19 -0.78 -0.86 4.11 0.00 -1.26 -1.06 120.51 124.86 2kk0 n ALA 60 Ca -0.24 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kk0 n ALA 60 Cb 0.50 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 -3.44 -0.69 -4.32 0.00 4.76 -1.26 -4.99 118.16 108.22 2kk0 n LYS 61 Ca -0.14 0.17 -0.32 0.00 -2.87 0.00 0.00 58.31 55.15 2kk0 n LYS 61 Cb 0.63 -4.03 -0.09 0.00 -1.84 0.00 0.00 35.03 29.69 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 -0.97 2.63 0.12 1.97 2.00 -0.22 -4.95 119.66 120.24 2kk0 s GLN 62 Ca 0.00 -0.71 -0.31 0.00 -2.00 0.00 0.00 55.36 52.34 2kk0 s GLN 62 Cb 0.00 -2.57 -0.08 0.00 0.80 0.00 0.00 33.01 31.16 2kk0 s GLN 62 CO 0.00 0.60 1.38 0.54 -0.50 0.00 0.00 175.29 177.30 2kk0 s VAL 63 N -1.10 3.32 -0.50 1.34 0.11 -1.26 -0.89 120.40 121.41 2kk0 s VAL 63 Ca 0.20 0.96 -0.28 0.00 -2.93 0.00 0.00 61.98 59.92 2kk0 s VAL 63 Cb -0.11 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2kk0 s VAL 63 CO 0.11 0.08 1.52 -0.22 -3.33 0.00 0.00 175.10 173.26 2kk0 s LEU 64 N 0.97 3.44 -0.83 2.54 2.96 -1.00 -4.88 118.68 121.89 2kk0 s LEU 64 Ca 0.64 0.55 -0.21 0.00 -0.22 0.00 0.00 54.13 54.89 2kk0 s LEU 64 Cb -0.37 -3.15 -0.19 0.00 0.50 0.00 0.00 46.19 42.98 2kk0 s LEU 64 CO 0.31 -1.74 2.16 0.47 -1.32 0.00 0.00 176.35 176.23 2kk0 n ASP 65 N 9.92 0.71 -0.29 3.68 9.92 -1.26 -4.77 116.55 134.47 2kk0 n ASP 65 Ca 0.16 -1.55 -0.00 0.00 -0.53 0.00 0.00 54.79 52.87 2kk0 n ASP 65 Cb 0.49 -1.37 0.13 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 19.18 0.76 0.04 0.64 3.38 -1.94 0.31 115.31 137.67 2kk0 h LEU 66 Ca 0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kk0 h LEU 66 Cb 1.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2kk0 h LEU 66 CO 1.12 0.49 -0.02 0.15 0.09 0.00 0.00 178.44 180.27 2kk0 h PHE 67 N 0.89 -0.04 -0.10 1.13 3.04 -1.91 -2.45 116.94 117.50 2kk0 h PHE 67 Ca 0.35 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.18 2kk0 h PHE 67 Cb 0.16 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 2kk0 h PHE 67 CO -0.04 0.07 -0.44 0.52 -2.02 0.00 0.00 178.31 176.39 2kk0 h MET 68 N -0.15 0.24 -0.12 1.11 0.00 -1.88 -2.54 114.93 111.58 2kk0 h MET 68 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 59.70 59.60 2kk0 h MET 68 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.71 2kk0 h MET 68 CO 0.01 0.64 -0.06 1.25 0.00 0.00 0.00 176.91 178.75 2kk0 h LEU 69 N 0.19 -0.19 -0.22 1.22 5.85 -0.28 0.29 115.31 122.19 2kk0 h LEU 69 Ca 0.01 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2kk0 h LEU 69 Cb 0.86 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 2kk0 h LEU 69 CO 0.07 -0.08 -0.06 0.22 -0.34 0.00 0.00 178.44 178.26 2kk0 h TYR 70 N -0.04 -0.12 0.28 1.25 3.20 -1.27 -1.13 116.97 119.13 2kk0 h TYR 70 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2kk0 h TYR 70 Cb 0.14 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2kk0 h TYR 70 CO -0.19 -0.10 -0.33 0.28 -1.64 0.00 0.00 178.16 176.19 2kk0 h VAL 71 N -0.00 0.32 -0.05 1.81 2.07 -1.02 -0.95 116.25 118.41 2kk0 h VAL 71 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2kk0 h VAL 71 Cb 0.16 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2kk0 h VAL 71 CO -0.23 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.33 2kk0 h LEU 72 N -0.65 0.06 -0.92 2.57 -0.00 -0.89 -1.27 115.31 114.22 2kk0 h LEU 72 Ca -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 2kk0 h LEU 72 Cb 0.61 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 2kk0 h LEU 72 CO -0.09 0.08 0.55 0.58 -0.00 0.00 0.00 178.44 179.56 2kk0 h VAL 73 N 0.04 1.25 -0.13 1.22 2.07 -1.16 -2.14 116.25 117.40 2kk0 h VAL 73 Ca 0.02 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2kk0 h VAL 73 Cb 0.03 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2kk0 h VAL 73 CO -0.00 0.27 -0.12 0.71 0.02 0.00 0.00 177.57 178.44 2kk0 h THR 74 N 1.27 1.35 -0.19 2.57 1.35 -1.00 0.21 112.91 118.47 2kk0 h THR 74 Ca 0.33 -1.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 2kk0 h THR 74 Cb -0.05 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 2kk0 h THR 74 CO -0.06 0.37 0.01 1.05 -0.25 0.00 0.00 175.52 176.64 2kk0 h GLU 75 N -0.07 0.27 0.00 4.72 4.11 -1.15 -0.87 114.58 121.59 2kk0 h GLU 75 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2kk0 h GLU 75 Cb 0.64 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2kk0 h GLU 75 CO 0.03 0.29 0.00 1.63 0.07 0.00 0.00 179.01 181.03 2kk0 n LYS 76 N -4.39 0.16 0.00 1.06 4.76 -0.81 -4.88 118.16 114.06 2kk0 n LYS 76 Ca -0.00 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 2kk0 n LYS 76 Cb 0.17 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 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 0.74 1.29 0.00 0.72 0.00 -0.34 -4.71 105.19 102.89 2kk0 n GLY 77 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 2.60 0.38 -0.02 0.00 0.74 -4.66 105.19 104.22 2kk0 n GLY 78 Ca 0.00 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.41 -0.55 0.99 5.85 -1.92 0.32 115.31 118.59 2kk0 h LEU 79 Ca 0.00 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2kk0 h LEU 79 Cb 0.00 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2kk0 h LEU 79 CO 0.00 -0.39 0.30 0.58 -0.34 0.00 0.00 178.44 178.59 2kk0 h VAL 80 N -0.46 1.18 -0.60 1.05 2.07 -1.92 -1.47 116.25 116.11 2kk0 h VAL 80 Ca 0.03 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.14 2kk0 h VAL 80 Cb 0.55 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2kk0 h VAL 80 CO -0.36 0.20 0.29 -0.08 0.02 0.00 0.00 177.57 177.63 2kk0 h GLU 81 N 0.74 0.51 -0.55 1.57 4.57 -1.73 0.72 114.58 120.42 2kk0 h GLU 81 Ca 0.19 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 2kk0 h GLU 81 Cb 0.05 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2kk0 h GLU 81 CO -0.03 0.34 0.14 0.28 -1.18 0.00 0.00 179.01 178.56 2kk0 h VAL 82 N 0.53 1.23 -0.49 0.32 2.07 -0.57 0.20 116.25 119.53 2kk0 h VAL 82 Ca 0.28 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 2kk0 h VAL 82 Cb 0.24 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2kk0 h VAL 82 CO -0.22 0.30 -0.14 0.40 0.02 0.00 0.00 177.57 177.94 2kk0 h ILE 83 N 0.81 1.27 -0.01 4.57 2.04 -0.26 0.06 117.51 125.99 2kk0 h ILE 83 Ca 0.18 -1.28 -0.15 0.00 1.00 0.00 0.00 64.86 64.62 2kk0 h ILE 83 Cb 0.29 1.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2kk0 h ILE 83 CO -0.00 0.44 -0.56 0.78 0.00 0.00 0.00 178.15 178.81 2kk0 h ASN 84 N 0.83 0.51 0.66 1.72 2.35 -0.61 -3.13 115.58 117.90 2kk0 h ASN 84 Ca 0.13 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.12 2kk0 h ASN 84 Cb 0.68 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2kk0 h ASN 84 CO 0.05 1.19 0.00 0.11 -1.65 0.00 0.00 177.43 177.13 2kk0 h LYS 85 N -0.12 0.00 0.00 0.81 1.79 -0.63 -3.46 116.57 114.96 2kk0 h LYS 85 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2kk0 h LYS 85 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2kk0 h LYS 85 CO 0.11 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.11 2kk0 n LYS 86 N -2.57 -0.55 -0.07 3.15 4.76 0.00 -4.83 118.16 118.05 2kk0 n LYS 86 Ca 0.01 0.14 -0.01 0.00 -2.87 0.00 0.00 58.31 55.58 2kk0 n LYS 86 Cb 0.21 -4.15 0.01 0.00 -1.84 0.00 0.00 35.03 29.26 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 3.24 0.30 -0.35 -0.00 -1.20 -4.31 117.00 114.67 2kk0 n LEU 87 Ca 0.00 -1.62 0.17 0.00 -0.00 0.00 0.00 56.01 54.56 2kk0 n LEU 87 Cb 0.14 -0.54 0.86 0.00 -0.00 0.00 0.00 43.42 43.88 2kk0 n LEU 87 CO 0.00 0.54 1.14 -0.50 -0.00 0.00 0.00 177.39 178.57 2kk0 h TRP 88 N 0.08 0.00 0.00 1.47 4.06 -1.88 0.15 115.95 119.83 2kk0 h TRP 88 Ca 0.02 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 2kk0 h TRP 88 Cb 1.07 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.23 2kk0 h TRP 88 CO 0.07 0.00 -0.01 0.07 -3.56 0.00 0.00 178.44 175.01 2kk0 h ARG 89 N 0.00 0.00 -0.51 0.49 0.11 -1.98 -0.44 114.38 112.05 2kk0 h ARG 89 Ca 0.03 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.00 2kk0 h ARG 89 Cb 0.62 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.69 2kk0 h ARG 89 CO -0.00 0.01 -0.12 0.93 0.10 0.00 0.00 179.97 180.89 2kk0 h GLU 90 N 0.00 0.95 0.15 0.08 4.39 -1.06 -1.77 114.58 117.32 2kk0 h GLU 90 Ca -0.00 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 2kk0 h GLU 90 Cb 0.02 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2kk0 h GLU 90 CO 0.00 1.02 -0.07 0.82 -1.16 0.00 0.00 179.01 179.61 2kk0 h ILE 91 N 0.85 0.98 -0.18 3.13 1.08 -1.22 -0.51 117.51 121.64 2kk0 h ILE 91 Ca 0.13 -0.65 0.04 0.00 -0.39 0.00 0.00 64.86 63.99 2kk0 h ILE 91 Cb 0.67 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 2kk0 h ILE 91 CO 0.05 0.15 -0.09 0.71 -0.69 0.00 0.00 178.15 178.28 2kk0 h THR 92 N -0.52 0.72 -0.87 -0.27 1.35 -1.32 -1.39 112.91 110.61 2kk0 h THR 92 Ca -0.02 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.88 2kk0 h THR 92 Cb 0.41 0.72 -0.05 0.00 -1.73 0.00 0.00 68.15 67.50 2kk0 h THR 92 CO 0.03 0.00 0.57 0.50 -0.25 0.00 0.00 175.52 176.38 2kk0 h LYS 93 N -0.07 1.05 0.00 4.72 1.63 -1.31 0.27 116.57 122.87 2kk0 h LYS 93 Ca 0.10 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 2kk0 h LYS 93 Cb 0.21 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2kk0 h LYS 93 CO -0.22 0.69 -0.25 0.78 -3.45 0.00 0.00 179.45 177.00 2kk0 h GLY 94 N 1.08 0.00 -2.62 5.01 0.00 -0.53 -2.64 103.07 103.37 2kk0 h GLY 94 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2kk0 h GLY 94 CO -0.11 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.47 2kk0 n LEU 95 N -3.58 3.82 -0.05 3.11 4.77 -0.34 -4.93 117.00 119.81 2kk0 n LEU 95 Ca -0.01 -1.88 -0.01 0.00 -0.03 0.00 0.00 56.01 54.09 2kk0 n LEU 95 Cb 0.39 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2kk0 n LEU 95 CO 0.34 0.94 -0.01 -3.20 -1.33 0.00 0.00 177.39 174.13 2kk0 n ASN 96 N 1.61 -4.49 -4.77 -1.43 2.85 -0.40 -4.95 115.26 103.68 2kk0 n ASN 96 Ca 0.24 0.02 -0.38 0.00 -0.11 0.00 0.00 54.58 54.34 2kk0 n ASN 96 Cb 0.61 -2.05 -0.06 0.00 1.24 0.00 0.00 39.78 39.52 2kk0 n ASN 96 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kk0 s LEU 97 N -0.15 4.48 -0.04 1.20 1.43 0.82 -4.96 118.68 121.46 2kk0 s LEU 97 Ca 0.00 1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 54.73 2kk0 s LEU 97 Cb 0.00 -3.82 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2kk0 s LEU 97 CO 0.00 0.01 1.02 -2.16 0.23 0.00 0.00 176.35 175.45 2kk0 s PRO 98 N -1.65 4.48 0.00 1.29 0.04 -1.26 -4.01 135.00 133.89 2kk0 s PRO 98 Ca 0.46 1.45 0.11 0.00 0.04 0.00 0.00 61.00 63.06 2kk0 s PRO 98 Cb -0.23 -3.49 0.53 0.00 0.04 0.00 0.00 34.50 31.35 2kk0 s PRO 98 CO 0.29 -0.20 1.30 -2.37 0.04 0.00 0.00 177.00 176.06 2kk0 n THR 99 N 4.23 0.94 0.31 1.26 5.66 -1.26 -2.84 114.28 122.57 2kk0 n THR 99 Ca 0.08 0.23 0.19 0.00 -3.05 0.00 0.00 64.05 61.50 2kk0 n THR 99 Cb 0.49 -1.05 1.02 0.00 -1.55 0.00 0.00 70.33 69.24 2kk0 n THR 99 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kk0 h SER 100 N 0.00 0.00 -2.54 1.09 0.87 -2.04 -3.44 113.55 107.49 2kk0 h SER 100 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2kk0 h SER 100 Cb 0.14 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2kk0 h SER 100 CO 0.00 0.02 1.12 -0.63 -0.53 0.00 0.00 176.83 176.80 2kk0 s ILE 101 N -4.15 3.00 0.48 2.23 1.01 -1.13 -4.88 121.20 117.76 2kk0 s ILE 101 Ca -0.04 0.27 0.24 0.00 0.00 0.00 0.00 60.65 61.13 2kk0 s ILE 101 Cb 0.13 -3.17 0.42 0.00 0.01 0.00 0.00 42.46 39.85 2kk0 s ILE 101 CO 0.48 -0.01 1.89 0.74 0.00 0.00 0.00 174.94 178.04 2kk0 h THR 102 N 5.17 0.64 0.00 2.92 2.02 -1.94 -2.32 112.91 119.40 2kk0 h THR 102 Ca -0.45 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 2kk0 h THR 102 Cb 1.21 0.44 -0.09 0.00 -1.74 0.00 0.00 68.15 67.97 2kk0 h THR 102 CO 0.94 0.03 -0.62 -1.54 0.37 0.00 0.00 175.52 174.71 2kk0 n SER 103 N -4.40 1.55 0.16 4.18 3.41 -1.26 -4.80 113.62 112.46 2kk0 n SER 103 Ca 0.17 -3.47 -0.13 0.00 -0.26 0.00 0.00 58.87 55.19 2kk0 n SER 103 Cb 0.78 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 2kk0 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kk0 h ALA 104 N 0.99 -0.99 -0.38 7.33 0.00 -1.77 0.86 119.26 125.31 2kk0 h ALA 104 Ca -0.05 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kk0 h ALA 104 Cb 1.21 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 2kk0 h ALA 104 CO 0.02 -1.04 0.21 0.00 0.00 0.00 0.00 179.25 178.44 2kk0 h ALA 105 N -0.98 0.47 -0.50 0.00 0.00 -1.90 -1.22 119.26 115.14 2kk0 h ALA 105 Ca -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kk0 h ALA 105 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2kk0 h ALA 105 CO -0.12 -0.14 0.18 0.35 0.00 0.00 0.00 179.25 179.53 2kk0 h PHE 106 N 0.43 0.78 -0.36 0.00 3.57 -1.91 -1.63 116.94 117.82 2kk0 h PHE 106 Ca 0.15 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2kk0 h PHE 106 Cb 0.03 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2kk0 h PHE 106 CO -0.08 0.67 0.05 1.15 -2.23 0.00 0.00 178.31 177.86 2kk0 h THR 107 N 0.68 1.24 -0.16 4.41 2.02 -0.59 -0.37 112.91 120.14 2kk0 h THR 107 Ca 0.17 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.51 2kk0 h THR 107 Cb 0.23 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2kk0 h THR 107 CO -0.01 0.29 -0.06 -0.07 0.37 0.00 0.00 175.52 176.04 2kk0 h LEU 108 N 0.44 -0.20 -0.74 2.58 3.38 -1.15 0.55 115.31 120.16 2kk0 h LEU 108 Ca 0.11 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.25 2kk0 h LEU 108 Cb 0.38 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 2kk0 h LEU 108 CO 0.01 -0.08 0.34 -0.09 0.09 0.00 0.00 178.44 178.71 2kk0 h ARG 109 N -0.03 0.52 0.63 1.13 2.43 -1.14 -0.87 114.38 117.05 2kk0 h ARG 109 Ca 0.08 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2kk0 h ARG 109 Cb 0.16 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2kk0 h ARG 109 CO -0.18 0.34 -0.30 1.15 -1.51 0.00 0.00 179.97 179.47 2kk0 h THR 110 N 0.54 0.23 -0.63 0.20 2.02 -0.27 -1.58 112.91 113.41 2kk0 h THR 110 Ca 0.39 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.31 2kk0 h THR 110 Cb 0.51 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 2kk0 h THR 110 CO -0.34 0.03 0.39 1.56 0.37 0.00 0.00 175.52 177.53 2kk0 h GLN 111 N -1.08 0.74 -0.62 6.66 1.08 -0.84 -0.35 115.11 120.70 2kk0 h GLN 111 Ca -0.09 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2kk0 h GLN 111 Cb 0.70 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 2kk0 h GLN 111 CO 0.14 0.49 0.37 -0.92 -0.95 0.00 0.00 178.83 177.97 2kk0 h TYR 112 N 0.76 0.69 0.00 2.96 5.03 -1.20 -1.02 116.97 124.20 2kk0 h TYR 112 Ca 0.25 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.55 2kk0 h TYR 112 Cb 0.02 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.08 2kk0 h TYR 112 CO -0.05 0.39 -0.15 1.98 -1.32 0.00 0.00 178.16 179.00 2kk0 h MET 113 N 0.73 0.00 0.01 1.82 4.05 -0.52 0.70 114.93 121.71 2kk0 h MET 113 Ca 0.25 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2kk0 h MET 113 Cb 0.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2kk0 h MET 113 CO -0.12 0.15 -0.00 0.87 0.23 0.00 0.00 176.91 178.04 2kk0 h LYS 114 N 0.00 -0.01 0.00 0.39 1.57 -0.16 -3.38 116.57 114.98 2kk0 h LYS 114 Ca -0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2kk0 h LYS 114 Cb 0.57 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 2kk0 h LYS 114 CO 0.02 0.82 -2.50 0.66 -0.57 0.00 0.00 179.45 177.88 2kk0 n TYR 115 N -4.66 0.00 0.84 -1.35 4.01 -0.47 -4.65 117.16 110.87 2kk0 n TYR 115 Ca -0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.77 2kk0 n TYR 115 Cb 0.40 -0.97 0.23 0.00 -0.31 0.00 0.00 39.34 38.69 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 -4.22 0.55 0.08 7.72 4.77 -0.31 -4.40 117.00 121.18 2kk0 n LEU 116 Ca -0.53 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.41 2kk0 n LEU 116 Cb 0.88 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 2kk0 n LEU 116 CO 0.03 0.06 0.61 0.22 -1.33 0.00 0.00 177.39 176.98 2kk0 h TYR 117 N 0.00 -1.06 -0.21 -1.77 3.20 -1.11 -0.02 116.97 116.01 2kk0 h TYR 117 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2kk0 h TYR 117 Cb 0.59 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2kk0 h TYR 117 CO 0.00 -0.47 -0.15 -1.00 -1.64 0.00 0.00 178.16 174.90 2kk0 h PRO 118 N -0.56 0.34 -0.09 1.82 0.13 -1.87 -2.72 132.00 129.06 2kk0 h PRO 118 Ca 0.05 -0.09 -0.15 0.00 -0.87 0.00 0.00 66.00 64.94 2kk0 h PRO 118 Cb 0.63 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2kk0 h PRO 118 CO -0.28 0.50 -0.58 -0.92 -0.23 0.00 0.00 178.00 176.49 2kk0 h TYR 119 N 0.32 0.38 0.67 1.56 3.20 -1.71 -2.32 116.97 119.08 2kk0 h TYR 119 Ca 0.06 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 2kk0 h TYR 119 Cb 0.46 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.67 2kk0 h TYR 119 CO 0.01 0.81 -0.32 1.49 -1.64 0.00 0.00 178.16 178.51 2kk0 h GLU 120 N 0.23 -0.87 0.00 1.82 4.22 -0.69 -0.17 114.58 119.11 2kk0 h GLU 120 Ca -0.00 0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 2kk0 h GLU 120 Cb 1.09 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2kk0 h GLU 120 CO 0.09 -0.55 -0.00 0.00 -2.18 0.00 0.00 179.01 176.37 2kk0 h GLU 122 N 0.00 -0.25 0.02 0.00 4.57 -1.33 -3.35 114.58 114.24 2kk0 h GLU 122 Ca -0.00 0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 57.95 2kk0 h GLU 122 Cb 0.01 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2kk0 h GLU 122 CO 0.00 -0.16 -1.27 0.87 -1.18 0.00 0.00 179.01 177.27 2kk0 h LYS 123 N -0.70 0.05 0.00 1.92 1.79 -0.97 -3.43 116.57 115.23 2kk0 h LYS 123 Ca -0.03 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2kk0 h LYS 123 Cb 0.20 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2kk0 h LYS 123 CO 0.04 0.90 -0.06 -2.13 -1.08 0.00 0.00 179.45 177.12 2kk0 n ARG 124 N -3.30 0.03 -1.19 3.15 3.00 0.62 -5.07 116.66 113.91 2kk0 n ARG 124 Ca -0.07 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2kk0 n ARG 124 Cb 0.99 -0.32 0.00 0.00 0.00 0.00 0.00 32.46 33.13 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 2.62 0.80 0.09 5.14 0.00 0.12 -4.96 105.19 109.01 2kk0 n GLY 125 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.01 0.00 -4.26 0.99 4.77 -1.26 -5.02 117.00 111.21 2kk0 n LEU 126 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2kk0 n LEU 126 Cb 0.37 0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.78 2kk0 n LEU 126 CO 0.00 0.43 -0.41 -0.94 -1.33 0.00 0.00 177.39 175.13 2kk0 s SER 127 N -5.26 1.87 0.15 -1.43 1.04 -1.26 -4.91 113.70 103.91 2kk0 s SER 127 Ca -0.09 -1.01 0.11 0.00 0.48 0.00 0.00 55.95 55.44 2kk0 s SER 127 Cb 0.06 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2kk0 s SER 127 CO 0.79 -0.31 -0.25 0.20 0.98 0.00 0.00 173.24 174.65 2kk0 s ASN 128 N -3.16 3.42 0.44 7.02 0.01 -1.26 -4.86 114.94 116.55 2kk0 s ASN 128 Ca 0.17 -0.78 0.12 0.00 -0.71 0.00 0.00 52.86 51.66 2kk0 s ASN 128 Cb 0.02 -0.26 0.96 0.00 0.41 0.00 0.00 41.25 42.37 2kk0 s ASN 128 CO 0.01 0.16 2.01 1.55 -1.51 0.00 0.00 177.10 179.31 2kk0 h PRO 129 N 3.60 0.16 0.43 -0.60 0.13 -2.02 -1.27 132.00 132.44 2kk0 h PRO 129 Ca -0.49 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 2kk0 h PRO 129 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kk0 h PRO 129 CO 0.43 0.24 -0.21 -0.91 -0.23 0.00 0.00 178.00 177.32 2kk0 h ASN 130 N 0.16 -0.49 -0.10 1.44 2.35 -2.01 -2.44 115.58 114.49 2kk0 h ASN 130 Ca 0.04 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2kk0 h ASN 130 Cb 0.22 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2kk0 h ASN 130 CO 0.01 -0.14 -0.03 1.05 -1.65 0.00 0.00 177.43 176.67 2kk0 h GLU 131 N -0.88 0.33 -0.36 0.81 4.11 -1.99 -2.90 114.58 113.70 2kk0 h GLU 131 Ca -0.06 -0.06 0.07 0.00 0.07 0.00 0.00 59.36 59.38 2kk0 h GLU 131 Cb 0.56 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2kk0 h GLU 131 CO 0.10 0.38 -0.03 1.25 0.07 0.00 0.00 179.01 180.78 2kk0 h LEU 132 N 0.32 -0.21 -0.71 3.06 5.85 -1.14 -0.99 115.31 121.49 2kk0 h LEU 132 Ca 0.07 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2kk0 h LEU 132 Cb 0.27 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2kk0 h LEU 132 CO 0.01 -0.07 0.42 -0.61 -0.34 0.00 0.00 178.44 177.85 2kk0 h GLN 133 N 0.06 0.76 -0.86 1.25 5.75 -1.23 -0.62 115.11 120.23 2kk0 h GLN 133 Ca 0.18 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2kk0 h GLN 133 Cb 0.25 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 2kk0 h GLN 133 CO -0.32 0.51 0.48 0.00 -2.65 0.00 0.00 178.83 176.85 2kk0 h ALA 134 N 1.34 1.10 0.22 3.38 0.00 -1.41 -0.61 119.26 123.28 2kk0 h ALA 134 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kk0 h ALA 134 Cb 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2kk0 h ALA 134 CO -0.15 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.59 2kk0 h ALA 135 N 1.26 -0.29 -0.57 0.00 0.00 -0.47 -2.02 119.26 117.18 2kk0 h ALA 135 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2kk0 h ALA 135 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2kk0 h ALA 135 CO -0.05 -0.63 0.21 0.82 0.00 0.00 0.00 179.25 179.60 2kk0 h ILE 136 N -0.36 1.23 -0.75 0.00 2.04 -1.00 -1.65 117.51 117.01 2kk0 h ILE 136 Ca -0.03 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.14 2kk0 h ILE 136 Cb 0.28 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2kk0 h ILE 136 CO 0.05 0.28 0.47 -0.78 0.00 0.00 0.00 178.15 178.17 2kk0 h ASP 137 N 0.78 0.76 -0.35 1.72 3.58 -1.11 -0.21 116.42 121.60 2kk0 h ASP 137 Ca 0.19 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.66 2kk0 h ASP 137 Cb 0.23 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2kk0 h ASP 137 CO -0.01 0.51 0.18 -1.28 -2.88 0.00 0.00 179.24 175.76 2kk0 h SER 138 N 0.90 0.28 -0.63 2.28 0.87 -0.97 -1.10 113.55 115.17 2kk0 h SER 138 Ca 0.31 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2kk0 h SER 138 Cb 0.06 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 2kk0 h SER 138 CO -0.13 0.20 0.37 0.78 -0.53 0.00 0.00 176.83 177.52 2kk0 h ASN 139 N 0.38 0.57 -0.48 6.23 -0.26 -0.62 0.18 115.58 121.58 2kk0 h ASN 139 Ca 0.14 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.92 2kk0 h ASN 139 Cb 0.04 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.17 2kk0 h ASN 139 CO -0.09 0.39 0.29 0.03 -1.06 0.00 0.00 177.43 176.99 2kk0 h ARG 140 N 0.70 0.57 -0.02 0.81 2.47 -0.72 -1.42 114.38 116.77 2kk0 h ARG 140 Ca 0.27 -0.03 -0.20 0.00 -1.26 0.00 0.00 59.98 58.76 2kk0 h ARG 140 Cb 0.10 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2kk0 h ARG 140 CO -0.14 0.38 -0.83 -0.09 0.56 0.00 0.00 179.97 179.85 2kk0 h ARG 141 N 0.59 0.29 -0.24 0.04 2.43 -0.65 -3.28 114.38 113.56 2kk0 h ARG 141 Ca 0.19 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2kk0 h ARG 141 Cb 0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2kk0 h ARG 141 CO -0.08 0.97 0.04 0.93 -1.51 0.00 0.00 179.97 180.32 2kk0 h GLU 142 N 0.18 0.40 0.00 0.20 5.08 -0.58 -3.47 114.58 116.39 2kk0 h GLU 142 Ca -0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2kk0 h GLU 142 Cb 1.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2kk0 h GLU 142 CO 0.13 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 179.08 2kk0 n GLY 143 N -0.47 -0.73 3.77 -3.84 0.00 -1.00 -5.11 105.19 97.81 2kk0 n GLY 143 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.19 0.00 1.61 0.52 -0.57 -5.04 118.95 119.66 2kk0 s ARG 144 Ca 0.00 1.65 0.02 0.00 -0.52 0.00 0.00 55.73 56.88 2kk0 s ARG 144 Cb 0.00 -2.67 0.02 0.00 0.52 0.00 0.00 34.95 32.82 2kk0 s ARG 144 CO 0.00 -0.15 0.56 0.54 0.02 0.00 0.00 175.30 176.27