#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk0 n GLY 2 N 0.00 2.18 5.00 3.17 0.00 -1.26 -4.98 105.19 109.29 2kk0 n GLY 2 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.00 -1.73 1.61 -0.00 -1.26 -4.93 115.22 108.91 2kk0 n HIS 3 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2kk0 n HIS 3 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 2kk0 n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk0 n HIS 4 N 0.00 2.79 -1.70 4.41 -0.00 -1.26 -4.86 115.22 114.60 2kk0 n HIS 4 Ca 0.00 0.11 -0.53 0.00 -0.00 0.00 0.00 57.72 57.31 2kk0 n HIS 4 Cb 0.00 -2.65 -0.06 0.00 -0.00 0.00 0.00 29.99 27.28 2kk0 n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk0 n HIS 5 N 3.33 2.21 -2.86 4.41 -0.00 -1.26 -4.99 115.22 116.06 2kk0 n HIS 5 Ca 0.13 0.23 -0.18 0.00 -0.00 0.00 0.00 57.72 57.91 2kk0 n HIS 5 Cb 0.35 -2.57 0.08 0.00 -0.00 0.00 0.00 29.99 27.84 2kk0 n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk0 n HIS 6 N 6.10 -2.62 -2.35 1.57 -0.00 -1.26 -5.08 115.22 111.58 2kk0 n HIS 6 Ca 0.24 -1.71 0.03 0.00 -0.00 0.00 0.00 57.72 56.28 2kk0 n HIS 6 Cb 0.22 -0.53 0.01 0.00 -0.00 0.00 0.00 29.99 29.69 2kk0 n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk0 n HIS 7 N -2.30 0.00 -4.43 4.41 -0.00 -1.26 -5.08 115.22 106.55 2kk0 n HIS 7 Ca 0.14 -0.35 -0.30 0.00 -0.00 0.00 0.00 57.72 57.21 2kk0 n HIS 7 Cb 0.51 -0.12 -0.12 0.00 -0.00 0.00 0.00 29.99 30.27 2kk0 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk0 s HIS 8 N 0.00 2.52 -0.09 1.57 0.09 -1.26 -5.13 115.29 113.00 2kk0 s HIS 8 Ca 0.24 -0.27 -0.04 0.00 -0.00 0.00 0.00 55.06 54.99 2kk0 s HIS 8 Cb 0.27 -1.38 0.05 0.00 -0.00 0.00 0.00 32.58 31.52 2kk0 s HIS 8 CO -0.12 0.34 0.18 -1.54 -0.00 0.00 0.00 174.74 173.60 2kk0 s SER 9 N -1.90 0.19 -1.08 1.40 1.04 -1.26 -5.09 113.70 107.00 2kk0 s SER 9 Ca 0.17 0.38 -0.22 0.00 0.48 0.00 0.00 55.95 56.76 2kk0 s SER 9 Cb -0.10 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.36 2kk0 s SER 9 CO 0.08 -0.19 1.63 -2.28 0.98 0.00 0.00 173.24 173.46 2kk0 s HIS 10 N 1.70 2.43 -0.01 5.02 2.46 -1.26 -4.88 115.29 120.75 2kk0 s HIS 10 Ca -0.04 -0.70 -0.28 0.00 0.47 0.00 0.00 55.06 54.51 2kk0 s HIS 10 Cb -0.12 -4.56 0.09 0.00 -0.13 0.00 0.00 32.58 27.86 2kk0 s HIS 10 CO -0.07 -1.83 0.75 0.00 -2.47 0.00 0.00 174.74 171.12 2kk0 s MET 11 N 5.23 0.99 -0.57 2.88 0.00 -1.26 -5.11 119.30 121.47 2kk0 s MET 11 Ca 0.53 -0.04 -0.32 0.00 0.00 0.00 0.00 55.69 55.86 2kk0 s MET 11 Cb -0.00 0.46 -0.13 0.00 0.00 0.00 0.00 34.83 35.16 2kk0 s MET 11 CO -0.03 -0.37 2.39 -2.30 0.00 0.00 0.00 175.02 174.71 2kk0 n PRO 12 N 0.36 0.73 -3.11 3.16 -0.02 -1.26 -4.91 135.00 129.96 2kk0 n PRO 12 Ca -0.15 0.12 -0.40 0.00 -2.02 0.00 0.00 63.50 61.04 2kk0 n PRO 12 Cb 0.60 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 2kk0 n PRO 12 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kk0 s ASP 13 N 9.08 6.69 0.00 2.55 -1.08 -1.26 -4.94 116.67 127.72 2kk0 s ASP 13 Ca 1.14 0.84 0.30 0.00 -0.52 0.00 0.00 52.55 54.32 2kk0 s ASP 13 Cb -0.80 -2.35 1.56 0.00 -1.46 0.00 0.00 42.92 39.86 2kk0 s ASP 13 CO 0.43 -0.28 2.06 1.57 0.52 0.00 0.00 175.17 179.48 2kk0 n HIS 14 N 5.06 0.00 -0.09 -5.34 -0.00 -1.23 -4.04 115.22 109.58 2kk0 n HIS 14 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.62 2kk0 n HIS 14 Cb 0.50 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.99 30.27 2kk0 n HIS 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2kk0 h GLY 15 N 4.99 0.45 0.00 1.57 0.00 -1.77 -3.43 103.07 104.88 2kk0 h GLY 15 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2kk0 h GLY 15 CO 0.00 0.17 0.00 2.09 0.00 0.00 0.00 176.54 178.80 2kk0 n ASP 16 N -4.85 0.84 -0.79 0.19 5.68 -1.26 -3.79 116.55 112.58 2kk0 n ASP 16 Ca -0.01 0.22 -0.10 0.00 -0.50 0.00 0.00 54.79 54.39 2kk0 n ASP 16 Cb 0.04 -0.18 -0.04 0.00 -1.14 0.00 0.00 41.12 39.79 2kk0 n ASP 16 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2kk0 n TRP 17 N -3.49 0.00 -3.99 2.11 7.02 -1.26 -4.83 117.44 112.99 2kk0 n TRP 17 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 2kk0 n TRP 17 Cb 0.00 -2.58 -0.16 0.00 -2.42 0.00 0.00 31.31 26.15 2kk0 n TRP 17 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2kk0 s THR 18 N -1.96 1.51 0.00 -0.99 -4.23 -1.26 -5.02 115.64 103.68 2kk0 s THR 18 Ca 0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2kk0 s THR 18 Cb 0.00 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.36 2kk0 s THR 18 CO 0.00 0.36 0.00 0.00 -0.54 0.00 0.00 174.62 174.44 2kk0 n TYR 19 N 4.77 0.00 0.78 3.99 9.36 -1.26 -4.73 117.16 130.08 2kk0 n TYR 19 Ca -0.16 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.19 2kk0 n TYR 19 Cb 0.49 0.00 0.33 0.00 -0.63 0.00 0.00 39.34 39.53 2kk0 n TYR 19 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2kk0 n GLU 20 N -2.41 0.15 -1.99 2.98 -0.58 -1.26 -4.93 120.64 112.60 2kk0 n GLU 20 Ca 0.00 0.07 -0.29 0.00 -0.42 0.00 0.00 57.16 56.51 2kk0 n GLU 20 Cb 0.00 -1.62 0.18 0.00 -0.57 0.00 0.00 31.44 29.44 2kk0 n GLU 20 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2kk0 s GLU 21 N -3.08 0.65 0.22 3.49 8.01 -1.26 -5.07 118.70 121.67 2kk0 s GLU 21 Ca 0.10 -0.50 -0.16 0.00 0.01 0.00 0.00 54.97 54.43 2kk0 s GLU 21 Cb 0.15 -1.88 -0.08 0.00 -4.31 0.00 0.00 34.13 28.02 2kk0 s GLU 21 CO 0.65 -2.38 0.65 -1.14 0.01 0.00 0.00 175.26 173.05 2kk0 s GLN 22 N -5.85 4.05 -1.03 1.61 -0.44 -1.26 -4.97 119.66 111.78 2kk0 s GLN 22 Ca 0.74 0.63 -0.22 0.00 -2.50 0.00 0.00 55.36 54.01 2kk0 s GLN 22 Cb -0.04 -2.76 -0.11 0.00 -1.64 0.00 0.00 33.01 28.46 2kk0 s GLN 22 CO 0.53 0.36 1.92 0.34 0.50 0.00 0.00 175.29 178.93 2kk0 n PHE 23 N 0.38 2.47 0.27 1.67 -0.00 -1.26 -4.68 117.46 116.31 2kk0 n PHE 23 Ca -0.02 -1.66 0.16 0.00 -0.00 0.00 0.00 57.45 55.94 2kk0 n PHE 23 Cb 0.52 -2.26 0.61 0.00 -0.00 0.00 0.00 39.48 38.35 2kk0 n PHE 23 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2kk0 h LYS 24 N 8.88 0.00 -0.30 -4.13 1.63 -1.93 -3.35 116.57 117.37 2kk0 h LYS 24 Ca 0.31 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.18 2kk0 h LYS 24 Cb 0.83 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.38 2kk0 h LYS 24 CO 1.53 0.01 -0.19 0.37 -3.45 0.00 0.00 179.45 177.72 2kk0 h GLN 25 N 0.00 -0.15 -0.25 1.90 5.75 -1.88 -1.34 115.11 119.14 2kk0 h GLN 25 Ca -0.00 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.58 2kk0 h GLN 25 Cb 0.59 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 2kk0 h GLN 25 CO 0.00 -0.10 0.21 -0.07 -2.65 0.00 0.00 178.83 176.22 2kk0 h LEU 26 N -0.16 0.00 0.07 -2.39 3.38 -1.97 -0.81 115.31 113.44 2kk0 h LEU 26 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2kk0 h LEU 26 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2kk0 h LEU 26 CO -0.40 0.00 -0.45 1.88 0.09 0.00 0.00 178.44 179.56 2kk0 h TYR 27 N 0.00 0.27 -0.54 1.13 0.05 -1.52 -3.36 116.97 113.00 2kk0 h TYR 27 Ca 0.12 -0.19 -0.17 0.00 0.05 0.00 0.00 58.73 58.53 2kk0 h TYR 27 Cb 0.54 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.17 2kk0 h TYR 27 CO 0.00 1.17 0.21 0.39 -1.05 0.00 0.00 178.16 178.88 2kk0 n GLU 28 N -4.36 2.86 -0.01 4.88 1.02 -0.83 -3.55 120.64 120.64 2kk0 n GLU 28 Ca -0.13 -2.15 -0.10 0.00 -0.02 0.00 0.00 57.16 54.76 2kk0 n GLU 28 Cb 0.66 -1.94 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.95 -1.05 -1.02 -4.62 3.38 -1.32 -3.26 115.31 109.37 2kk0 h LEU 29 Ca 0.21 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2kk0 h LEU 29 Cb 1.89 0.45 0.00 0.00 0.09 0.00 0.00 40.66 43.09 2kk0 h LEU 29 CO 0.54 -0.36 0.00 0.47 0.09 0.00 0.00 178.44 179.18 2kk0 n ASP 30 N -5.41 0.97 -2.42 -0.43 8.00 -1.26 -5.05 116.55 110.95 2kk0 n ASP 30 Ca -0.03 -1.05 -0.09 0.00 0.71 0.00 0.00 54.79 54.33 2kk0 n ASP 30 Cb 0.33 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.48 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 -0.02 -0.11 3.73 0.44 0.00 -1.23 -5.04 105.19 102.95 2kk0 n GLY 31 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.54 5.86 0.27 1.61 1.11 -1.25 -5.01 116.67 115.72 2kk0 s ASP 32 Ca 0.11 0.23 -0.02 0.00 0.18 0.00 0.00 52.55 53.05 2kk0 s ASP 32 Cb -0.01 -1.92 0.43 0.00 1.07 0.00 0.00 42.92 42.49 2kk0 s ASP 32 CO 0.41 0.29 1.88 1.55 1.18 0.00 0.00 175.17 180.48 2kk0 h PRO 33 N 5.87 1.12 0.00 8.23 0.13 -1.96 -1.79 132.00 143.60 2kk0 h PRO 33 Ca -0.46 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 2kk0 h PRO 33 Cb 1.19 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 2kk0 h PRO 33 CO 0.64 0.74 -0.08 0.87 -0.23 0.00 0.00 178.00 179.94 2kk0 h LYS 34 N 1.15 0.00 -0.11 0.86 1.79 -2.00 -3.19 116.57 115.08 2kk0 h LYS 34 Ca 0.44 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.85 2kk0 h LYS 34 Cb 0.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2kk0 h LYS 34 CO -0.18 0.08 -0.15 -0.09 -1.08 0.00 0.00 179.45 178.03 2kk0 h ARG 35 N 0.00 0.29 -0.01 3.15 2.43 -1.68 -2.75 114.38 115.81 2kk0 h ARG 35 Ca -0.00 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 58.85 2kk0 h ARG 35 Cb 0.66 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2kk0 h ARG 35 CO 0.01 0.74 -0.69 1.57 -1.51 0.00 0.00 179.97 180.09 2kk0 h LYS 36 N -0.13 0.03 0.37 0.20 -0.00 -1.61 -2.74 116.57 112.71 2kk0 h LYS 36 Ca 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.63 2kk0 h LYS 36 Cb 0.70 0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 32.93 2kk0 h LYS 36 CO 0.04 0.71 -0.27 0.93 -0.00 0.00 0.00 179.45 180.86 2kk0 h GLU 37 N 0.02 -0.61 -0.42 0.07 5.08 -1.57 0.26 114.58 117.42 2kk0 h GLU 37 Ca -0.01 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2kk0 h GLU 37 Cb 1.22 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.52 2kk0 h GLU 37 CO 0.09 -0.40 -0.15 0.35 -1.00 0.00 0.00 179.01 177.90 2kk0 h PHE 38 N -0.63 -0.35 -0.44 4.33 3.57 -1.48 -0.51 116.94 121.43 2kk0 h PHE 38 Ca -0.03 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2kk0 h PHE 38 Cb 0.54 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2kk0 h PHE 38 CO -0.12 -0.23 0.08 -0.07 -2.23 0.00 0.00 178.31 175.74 2kk0 h LEU 39 N -0.06 0.62 0.16 0.59 3.38 -1.31 0.13 115.31 118.83 2kk0 h LEU 39 Ca 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2kk0 h LEU 39 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kk0 h LEU 39 CO -0.46 0.64 -0.08 -0.78 0.09 0.00 0.00 178.44 177.85 2kk0 h ASP 40 N 0.65 -0.19 -0.56 -0.43 3.58 0.50 0.20 116.42 120.17 2kk0 h ASP 40 Ca 0.14 -0.27 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 2kk0 h ASP 40 Cb 0.28 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 2kk0 h ASP 40 CO 0.00 0.19 0.15 0.44 -2.88 0.00 0.00 179.24 177.13 2kk0 h ASP 41 N -0.58 0.88 0.59 2.28 5.19 -1.09 -0.68 116.42 123.01 2kk0 h ASP 41 Ca -0.02 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 2kk0 h ASP 41 Cb 0.44 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2kk0 h ASP 41 CO 0.04 0.85 -0.43 0.25 -3.12 0.00 0.00 179.24 176.83 2kk0 h LEU 42 N 0.90 -1.12 -0.61 1.55 5.85 -0.67 0.75 115.31 121.96 2kk0 h LEU 42 Ca 0.19 0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.01 2kk0 h LEU 42 Cb 0.32 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2kk0 h LEU 42 CO -0.00 -0.63 0.39 -0.26 -0.34 0.00 0.00 178.44 177.59 2kk0 h PHE 43 N -0.99 0.74 -0.58 1.25 0.04 -0.87 0.15 116.94 116.67 2kk0 h PHE 43 Ca -0.07 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.76 2kk0 h PHE 43 Cb 0.82 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 2kk0 h PHE 43 CO -0.15 0.44 0.33 0.77 -0.60 0.00 0.00 178.31 179.10 2kk0 h SER 44 N 0.78 0.51 0.57 2.17 0.02 -1.04 -0.33 113.55 116.24 2kk0 h SER 44 Ca 0.23 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2kk0 h SER 44 Cb -0.04 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.41 2kk0 h SER 44 CO -0.07 0.35 -0.27 0.15 -1.14 0.00 0.00 176.83 175.85 2kk0 h PHE 45 N 0.64 -0.71 -0.48 3.45 3.57 -0.27 -2.86 116.94 120.28 2kk0 h PHE 45 Ca 0.24 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2kk0 h PHE 45 Cb 0.09 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2kk0 h PHE 45 CO -0.07 -0.40 0.21 0.00 -2.23 0.00 0.00 178.31 175.81 2kk0 h MET 46 N -1.14 0.68 0.31 1.11 -0.00 -1.01 -2.45 114.93 112.42 2kk0 h MET 46 Ca -0.08 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.70 59.53 2kk0 h MET 46 Cb 0.62 -0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 32.08 2kk0 h MET 46 CO 0.13 0.55 -0.26 0.37 -0.00 0.00 0.00 176.91 177.69 2kk0 h GLN 47 N 0.68 -0.56 0.00 -0.10 5.75 -1.05 0.49 115.11 120.32 2kk0 h GLN 47 Ca 0.17 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 2kk0 h GLN 47 Cb 0.11 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2kk0 h GLN 47 CO -0.02 -0.37 -0.26 0.87 -2.65 0.00 0.00 178.83 176.40 2kk0 h LYS 48 N -0.58 0.00 -0.05 1.69 1.57 -1.25 -2.03 116.57 115.93 2kk0 h LYS 48 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2kk0 h LYS 48 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kk0 h LYS 48 CO -0.03 0.26 0.00 2.89 -0.57 0.00 0.00 179.45 182.01 2kk0 n ARG 49 N -4.14 1.24 -0.29 3.15 1.85 -0.95 -4.88 116.66 112.64 2kk0 n ARG 49 Ca -0.02 -0.36 0.00 0.00 -1.00 0.00 0.00 57.85 56.47 2kk0 n ARG 49 Cb 0.32 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 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 0.93 1.53 2.67 2.89 0.00 -0.76 -5.07 105.19 107.38 2kk0 n GLY 50 Ca 0.16 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.31 1.05 2.61 -1.32 0.15 -5.03 115.64 110.79 2kk0 s THR 51 Ca 0.00 -1.45 -0.17 0.00 -1.21 0.00 0.00 61.69 58.86 2kk0 s THR 51 Cb 0.00 -0.66 0.22 0.00 -1.51 0.00 0.00 72.50 70.55 2kk0 s THR 51 CO 0.00 -0.62 1.21 -2.16 -2.21 0.00 0.00 174.62 170.83 2kk0 s PRO 52 N 0.90 -0.01 -0.72 7.08 0.04 -1.26 -3.35 135.00 137.69 2kk0 s PRO 52 Ca 0.25 -0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.00 2kk0 s PRO 52 Cb -0.06 -1.75 0.19 0.00 0.04 0.00 0.00 34.50 32.92 2kk0 s PRO 52 CO -0.08 -2.89 0.65 0.08 0.04 0.00 0.00 177.00 174.80 2kk0 s VAL 53 N -3.43 5.33 -0.11 -0.36 1.01 -1.26 -4.92 120.40 116.66 2kk0 s VAL 53 Ca 0.71 -2.19 -0.25 0.00 0.00 0.00 0.00 61.98 60.25 2kk0 s VAL 53 Cb -0.08 -4.34 -0.22 0.00 0.00 0.00 0.00 36.38 31.73 2kk0 s VAL 53 CO 0.54 -0.96 0.80 0.78 0.00 0.00 0.00 175.10 176.26 2kk0 h ASN 54 N 8.09 -0.02 -4.28 3.32 4.21 -2.05 -3.47 115.58 121.39 2kk0 h ASN 54 Ca -0.03 -0.77 -0.18 0.00 1.21 0.00 0.00 56.30 56.52 2kk0 h ASN 54 Cb 1.05 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 38.02 2kk0 h ASN 54 CO 0.84 0.82 -0.57 0.00 -1.29 0.00 0.00 177.43 177.22 2kk0 s ARG 55 N -2.63 0.26 -0.15 0.81 3.03 -1.26 -5.16 118.95 113.85 2kk0 s ARG 55 Ca -0.16 -0.10 -0.09 0.00 2.03 0.00 0.00 55.73 57.41 2kk0 s ARG 55 Cb -0.02 0.11 -0.05 0.00 -1.03 0.00 0.00 34.95 33.97 2kk0 s ARG 55 CO 0.61 -0.05 0.15 0.42 -1.13 0.00 0.00 175.30 175.30 2kk0 s ILE 56 N -0.55 5.44 0.15 4.99 1.01 -1.26 -5.06 121.20 125.91 2kk0 s ILE 56 Ca -0.06 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 2kk0 s ILE 56 Cb -0.04 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 2kk0 s ILE 56 CO 0.00 0.53 1.59 -2.84 0.00 0.00 0.00 174.94 174.22 2kk0 s PRO 57 N -0.34 4.21 -0.41 2.79 0.02 -1.26 -4.92 135.00 135.09 2kk0 s PRO 57 Ca 0.12 2.36 -0.13 0.00 0.02 0.00 0.00 61.00 63.38 2kk0 s PRO 57 Cb -0.12 -3.25 0.05 0.00 0.02 0.00 0.00 34.50 31.20 2kk0 s PRO 57 CO 0.02 -0.64 0.28 0.42 -0.33 0.00 0.00 177.00 176.75 2kk0 s ILE 58 N 1.46 4.80 -0.38 2.83 -1.09 -1.26 -1.04 121.20 126.53 2kk0 s ILE 58 Ca 0.71 -0.96 -0.13 0.00 -2.23 0.00 0.00 60.65 58.04 2kk0 s ILE 58 Cb -0.43 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 36.69 2kk0 s ILE 58 CO 0.31 -0.38 0.24 -0.32 -1.23 0.00 0.00 174.94 173.57 2kk0 s MET 59 N 1.58 3.03 -1.21 2.79 -2.45 0.28 -4.66 119.30 118.65 2kk0 s MET 59 Ca 0.03 -0.96 -0.08 0.00 -1.25 0.00 0.00 55.69 53.43 2kk0 s MET 59 Cb -0.21 -3.82 -0.02 0.00 1.25 0.00 0.00 34.83 32.04 2kk0 s MET 59 CO 0.07 -0.65 0.75 0.00 1.05 0.00 0.00 175.02 176.24 2kk0 n ALA 60 N 5.07 -2.28 -1.19 4.11 0.00 -1.26 -1.39 120.51 123.58 2kk0 n ALA 60 Ca -0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 2kk0 n ALA 60 Cb 0.47 -3.33 -0.03 0.00 0.00 0.00 0.00 19.45 16.57 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 -4.07 -1.36 -4.52 0.00 4.76 -1.26 -4.98 118.16 106.73 2kk0 n LYS 61 Ca -0.19 0.66 -0.23 0.00 -2.87 0.00 0.00 58.31 55.67 2kk0 n LYS 61 Cb 0.64 -4.82 -0.14 0.00 -1.84 0.00 0.00 35.03 28.87 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 -2.27 1.21 0.38 1.97 2.00 -0.48 -2.32 119.66 120.14 2kk0 s GLN 62 Ca 0.00 -0.89 -0.25 0.00 -2.00 0.00 0.00 55.36 52.22 2kk0 s GLN 62 Cb 0.00 -1.29 -0.09 0.00 0.80 0.00 0.00 33.01 32.43 2kk0 s GLN 62 CO 0.00 0.33 1.12 0.54 -0.50 0.00 0.00 175.29 176.78 2kk0 s VAL 63 N -0.84 3.39 -0.70 1.34 0.11 -1.25 0.98 120.40 123.43 2kk0 s VAL 63 Ca 0.05 1.15 -0.26 0.00 -2.93 0.00 0.00 61.98 60.00 2kk0 s VAL 63 Cb -0.08 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 2kk0 s VAL 63 CO 0.02 0.10 1.92 -0.22 -3.33 0.00 0.00 175.10 173.59 2kk0 s LEU 64 N -2.41 3.25 -0.82 2.54 2.96 -0.20 -4.76 118.68 119.22 2kk0 s LEU 64 Ca 0.56 0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 54.30 2kk0 s LEU 64 Cb -0.28 -2.54 -0.18 0.00 0.50 0.00 0.00 46.19 43.69 2kk0 s LEU 64 CO 0.35 -2.55 2.05 0.47 -1.32 0.00 0.00 176.35 175.35 2kk0 n ASP 65 N 13.39 0.68 -0.26 3.68 9.92 -1.26 -4.76 116.55 137.93 2kk0 n ASP 65 Ca 0.28 -1.82 0.03 0.00 -0.53 0.00 0.00 54.79 52.75 2kk0 n ASP 65 Cb 0.50 -1.42 0.17 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 19.40 0.44 -0.13 0.64 3.38 -1.95 0.25 115.31 137.33 2kk0 h LEU 66 Ca 0.00 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2kk0 h LEU 66 Cb 1.01 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2kk0 h LEU 66 CO 1.07 0.22 -0.00 0.15 0.09 0.00 0.00 178.44 179.97 2kk0 h PHE 67 N 0.58 -0.01 -0.35 1.13 3.57 -1.92 -1.90 116.94 118.04 2kk0 h PHE 67 Ca 0.39 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.73 2kk0 h PHE 67 Cb 0.48 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2kk0 h PHE 67 CO -0.12 -0.02 -0.44 0.52 -2.23 0.00 0.00 178.31 176.03 2kk0 h MET 68 N 0.04 0.89 -0.58 1.11 2.86 -1.77 -2.81 114.93 114.67 2kk0 h MET 68 Ca 0.06 -0.50 0.09 0.00 -2.06 0.00 0.00 59.70 57.29 2kk0 h MET 68 Cb 0.07 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 2kk0 h MET 68 CO -0.11 1.14 0.21 1.25 1.06 0.00 0.00 176.91 180.47 2kk0 h LEU 69 N 0.72 0.21 0.04 1.22 5.85 -0.41 -0.71 115.31 122.23 2kk0 h LEU 69 Ca 0.05 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2kk0 h LEU 69 Cb 1.03 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2kk0 h LEU 69 CO 0.10 0.13 -0.09 0.22 -0.34 0.00 0.00 178.44 178.46 2kk0 h TYR 70 N 0.39 -0.24 0.09 1.25 3.20 -1.25 -1.69 116.97 118.73 2kk0 h TYR 70 Ca 0.29 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.19 2kk0 h TYR 70 Cb 0.35 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2kk0 h TYR 70 CO -0.17 -0.14 -0.30 0.28 -1.64 0.00 0.00 178.16 176.19 2kk0 h VAL 71 N -0.18 0.35 -0.34 1.81 2.07 -1.13 -0.83 116.25 118.01 2kk0 h VAL 71 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2kk0 h VAL 71 Cb 0.20 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2kk0 h VAL 71 CO -0.06 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.65 2kk0 h LEU 72 N -0.50 0.32 -0.09 2.57 -0.00 -1.10 -1.95 115.31 114.55 2kk0 h LEU 72 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2kk0 h LEU 72 Cb 0.54 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2kk0 h LEU 72 CO -0.19 0.24 -0.02 0.58 -0.00 0.00 0.00 178.44 179.04 2kk0 h VAL 73 N 0.41 1.29 -0.60 1.22 2.07 -1.20 -2.94 116.25 116.50 2kk0 h VAL 73 Ca 0.13 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2kk0 h VAL 73 Cb -0.00 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2kk0 h VAL 73 CO -0.06 0.27 0.36 0.71 0.02 0.00 0.00 177.57 178.87 2kk0 h THR 74 N -0.15 1.18 0.00 2.57 1.35 -1.11 -1.62 112.91 115.12 2kk0 h THR 74 Ca 0.02 -0.39 -0.03 0.00 -0.55 0.00 0.00 66.41 65.46 2kk0 h THR 74 Cb 0.43 0.35 -0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2kk0 h THR 74 CO 0.01 0.18 -0.14 1.05 -0.25 0.00 0.00 175.52 176.37 2kk0 h GLU 75 N 0.81 0.00 0.00 4.72 4.11 -1.40 -1.26 114.58 121.56 2kk0 h GLU 75 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 2kk0 h GLU 75 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2kk0 h GLU 75 CO -0.04 0.14 0.00 1.63 0.07 0.00 0.00 179.01 180.81 2kk0 n LYS 76 N -4.12 0.12 0.00 1.06 4.76 -0.84 -4.87 118.16 114.27 2kk0 n LYS 76 Ca -0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2kk0 n LYS 76 Cb 0.22 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.35 0.55 0.00 0.72 0.00 -0.48 -4.66 105.19 102.67 2kk0 n GLY 77 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.99 0.41 -0.02 0.00 -0.67 -4.41 105.19 102.50 2kk0 n GLY 78 Ca 0.00 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 2kk0 n GLY 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kk0 h LEU 79 N 0.00 -1.67 -0.18 0.99 5.85 -1.95 -1.65 115.31 116.70 2kk0 h LEU 79 Ca 0.00 0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2kk0 h LEU 79 Cb 0.00 0.68 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2kk0 h LEU 79 CO 0.00 -0.38 0.05 0.58 -0.34 0.00 0.00 178.44 178.35 2kk0 h VAL 80 N -0.39 0.94 -0.67 1.05 2.07 -1.93 -1.22 116.25 116.09 2kk0 h VAL 80 Ca 0.06 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.65 2kk0 h VAL 80 Cb 0.55 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 2kk0 h VAL 80 CO -0.52 0.02 0.23 -0.08 0.02 0.00 0.00 177.57 177.25 2kk0 h GLU 81 N 0.13 0.38 -0.82 1.57 4.57 -1.72 0.16 114.58 118.86 2kk0 h GLU 81 Ca 0.08 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2kk0 h GLU 81 Cb 0.06 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 2kk0 h GLU 81 CO -0.09 0.25 0.47 0.28 -1.18 0.00 0.00 179.01 178.73 2kk0 h VAL 82 N 0.39 1.24 -0.10 0.32 2.07 -0.72 0.41 116.25 119.84 2kk0 h VAL 82 Ca 0.36 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2kk0 h VAL 82 Cb 0.51 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2kk0 h VAL 82 CO -0.38 0.26 -0.26 0.40 0.02 0.00 0.00 177.57 177.61 2kk0 h ILE 83 N 1.13 1.23 0.22 4.57 2.04 0.06 -0.84 117.51 125.93 2kk0 h ILE 83 Ca 0.29 -1.09 -0.32 0.00 1.00 0.00 0.00 64.86 64.73 2kk0 h ILE 83 Cb 0.00 1.45 0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2kk0 h ILE 83 CO -0.05 0.33 -1.42 0.78 0.00 0.00 0.00 178.15 177.78 2kk0 h ASN 84 N 0.17 0.75 1.15 1.72 2.35 -0.17 -3.29 115.58 118.26 2kk0 h ASN 84 Ca 0.03 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 2kk0 h ASN 84 Cb 0.56 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2kk0 h ASN 84 CO 0.04 1.63 0.00 0.11 -1.65 0.00 0.00 177.43 177.56 2kk0 h LYS 85 N 0.13 0.00 -0.78 0.81 1.79 -0.04 -3.46 116.57 115.02 2kk0 h LYS 85 Ca -0.23 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.92 2kk0 h LYS 85 Cb 2.12 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 32.65 2kk0 h LYS 85 CO 0.26 0.00 -0.29 1.63 -1.08 0.00 0.00 179.45 179.97 2kk0 n LYS 86 N -2.75 -1.58 -0.83 3.15 4.76 -0.34 -4.85 118.16 115.73 2kk0 n LYS 86 Ca 0.02 1.03 -0.13 0.00 -2.87 0.00 0.00 58.31 56.36 2kk0 n LYS 86 Cb 0.33 -5.43 0.15 0.00 -1.84 0.00 0.00 35.03 28.24 2kk0 n LYS 86 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2kk0 n LEU 87 N -1.79 5.43 0.29 -0.35 -0.00 -1.23 -4.53 117.00 114.82 2kk0 n LEU 87 Ca -0.16 -2.86 0.16 0.00 -0.00 0.00 0.00 56.01 53.15 2kk0 n LEU 87 Cb 0.63 -0.72 0.77 0.00 -0.00 0.00 0.00 43.42 44.10 2kk0 n LEU 87 CO 0.24 0.83 1.13 -0.50 -0.00 0.00 0.00 177.39 179.09 2kk0 h TRP 88 N 1.03 0.00 -0.75 1.47 4.06 -1.89 0.15 115.95 120.03 2kk0 h TRP 88 Ca 0.38 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.44 2kk0 h TRP 88 Cb 2.20 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 30.31 2kk0 h TRP 88 CO 1.07 0.00 0.49 0.07 -3.56 0.00 0.00 178.44 176.51 2kk0 h ARG 89 N 0.00 0.58 -0.58 0.49 0.11 -1.99 -0.39 114.38 112.59 2kk0 h ARG 89 Ca 0.04 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 2kk0 h ARG 89 Cb 0.80 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.73 2kk0 h ARG 89 CO -0.00 0.38 0.16 0.93 0.10 0.00 0.00 179.97 181.54 2kk0 h GLU 90 N 0.60 0.89 0.22 0.08 4.39 -1.07 -0.50 114.58 119.19 2kk0 h GLU 90 Ca 0.35 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2kk0 h GLU 90 Cb 0.56 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2kk0 h GLU 90 CO -0.13 0.79 -0.11 0.82 -1.16 0.00 0.00 179.01 179.22 2kk0 h ILE 91 N 0.86 0.82 -0.64 3.13 1.08 -1.22 -1.31 117.51 120.24 2kk0 h ILE 91 Ca 0.19 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 63.89 2kk0 h ILE 91 Cb 0.29 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 2kk0 h ILE 91 CO -0.00 0.16 0.40 0.71 -0.69 0.00 0.00 178.15 178.73 2kk0 h THR 92 N -0.74 1.11 -0.94 -0.27 1.35 -1.36 -1.66 112.91 110.41 2kk0 h THR 92 Ca -0.03 -0.28 0.05 0.00 -0.55 0.00 0.00 66.41 65.60 2kk0 h THR 92 Cb 0.50 0.23 -0.06 0.00 -1.73 0.00 0.00 68.15 67.09 2kk0 h THR 92 CO 0.05 0.15 0.60 0.50 -0.25 0.00 0.00 175.52 176.57 2kk0 h LYS 93 N 0.81 1.09 0.00 4.72 1.63 -1.09 0.63 116.57 124.36 2kk0 h LYS 93 Ca 0.25 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.92 2kk0 h LYS 93 Cb -0.02 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.35 2kk0 h LYS 93 CO -0.09 0.72 -0.30 0.78 -3.45 0.00 0.00 179.45 177.12 2kk0 h GLY 94 N 1.12 0.00 -1.39 5.01 0.00 -0.71 -2.69 103.07 104.40 2kk0 h GLY 94 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2kk0 h GLY 94 CO -0.15 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.43 2kk0 n LEU 95 N -3.62 2.07 -1.19 3.11 4.77 -0.49 -4.90 117.00 116.76 2kk0 n LEU 95 Ca -0.01 -1.02 -0.15 0.00 -0.03 0.00 0.00 56.01 54.81 2kk0 n LEU 95 Cb 0.42 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2kk0 n LEU 95 CO 0.35 0.51 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.58 2kk0 n ASN 96 N 0.63 -4.73 -4.82 -1.43 4.05 -0.91 -4.99 115.26 103.05 2kk0 n ASN 96 Ca 0.13 0.32 -0.35 0.00 0.45 0.00 0.00 54.58 55.13 2kk0 n ASN 96 Cb 0.33 -3.56 -0.06 0.00 1.23 0.00 0.00 39.78 37.72 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 -3.44 4.30 0.26 1.20 1.43 0.09 -5.01 118.68 117.51 2kk0 s LEU 97 Ca 0.00 1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 54.17 2kk0 s LEU 97 Cb 0.00 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 2kk0 s LEU 97 CO 0.00 0.00 1.11 -2.16 0.23 0.00 0.00 176.35 175.53 2kk0 s PRO 98 N -2.13 4.62 0.00 1.29 0.04 -1.26 -4.34 135.00 133.21 2kk0 s PRO 98 Ca 0.44 1.80 0.10 0.00 0.04 0.00 0.00 61.00 63.38 2kk0 s PRO 98 Cb -0.15 -3.21 0.57 0.00 0.04 0.00 0.00 34.50 31.75 2kk0 s PRO 98 CO 0.20 0.16 1.07 -2.37 0.04 0.00 0.00 177.00 176.11 2kk0 n THR 99 N 1.48 0.00 -1.02 1.26 5.66 -1.26 -3.01 114.28 117.39 2kk0 n THR 99 Ca -0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 2kk0 n THR 99 Cb 0.45 -0.44 0.32 0.00 -1.55 0.00 0.00 70.33 69.11 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 -0.74 4.73 -4.60 1.09 2.88 -1.26 -4.94 113.62 110.77 2kk0 n SER 100 Ca 0.07 -3.12 -0.42 0.00 -1.33 0.00 0.00 58.87 54.08 2kk0 n SER 100 Cb 0.03 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 62.77 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 -2.90 4.85 0.07 2.46 1.01 -1.16 -5.02 121.20 120.50 2kk0 s ILE 101 Ca 0.51 0.98 -0.31 0.00 0.00 0.00 0.00 60.65 61.83 2kk0 s ILE 101 Cb 0.41 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 2kk0 s ILE 101 CO 0.12 -0.23 1.73 -0.89 0.00 0.00 0.00 174.94 175.68 2kk0 s THR 102 N 2.81 2.96 -1.66 2.92 2.01 -1.26 -2.71 115.64 120.71 2kk0 s THR 102 Ca 0.29 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.63 2kk0 s THR 102 Cb -0.14 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2kk0 s THR 102 CO 0.13 -0.01 0.00 -1.20 -0.69 0.00 0.00 174.62 172.85 2kk0 n SER 103 N 5.99 -5.20 -0.01 3.53 7.64 -1.26 -4.91 113.62 119.40 2kk0 n SER 103 Ca 0.17 0.14 -0.09 0.00 1.01 0.00 0.00 58.87 60.10 2kk0 n SER 103 Cb 0.40 -4.28 -0.03 0.00 -1.01 0.00 0.00 64.21 59.30 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 0.56 -0.09 -0.19 -0.43 0.00 -1.95 -1.30 119.26 115.86 2kk0 h ALA 104 Ca -0.41 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2kk0 h ALA 104 Cb 1.27 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 2kk0 h ALA 104 CO 0.51 -0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.09 2kk0 h ALA 105 N 0.85 0.12 -0.79 0.00 0.00 -1.91 -0.48 119.26 117.05 2kk0 h ALA 105 Ca 0.10 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2kk0 h ALA 105 Cb 0.36 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2kk0 h ALA 105 CO -0.28 -0.48 0.44 0.35 0.00 0.00 0.00 179.25 179.28 2kk0 h PHE 106 N -0.01 0.80 -0.03 0.00 3.57 -1.90 -0.94 116.94 118.43 2kk0 h PHE 106 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2kk0 h PHE 106 Cb 0.15 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 2kk0 h PHE 106 CO -0.22 0.33 -0.00 1.15 -2.23 0.00 0.00 178.31 177.33 2kk0 h THR 107 N 0.75 1.27 -0.76 4.41 2.02 -0.75 -2.99 112.91 116.86 2kk0 h THR 107 Ca 0.38 -0.82 0.06 0.00 0.77 0.00 0.00 66.41 66.80 2kk0 h THR 107 Cb 0.35 1.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.47 2kk0 h THR 107 CO -0.25 0.22 0.45 -0.07 0.37 0.00 0.00 175.52 176.25 2kk0 h LEU 108 N -0.28 0.70 -0.24 2.58 3.38 -0.78 -0.95 115.31 119.73 2kk0 h LEU 108 Ca 0.01 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.06 2kk0 h LEU 108 Cb 0.35 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2kk0 h LEU 108 CO 0.00 0.45 -0.18 -0.09 0.09 0.00 0.00 178.44 178.72 2kk0 h ARG 109 N 0.83 -0.16 -0.06 1.13 2.43 -1.17 -0.64 114.38 116.74 2kk0 h ARG 109 Ca 0.34 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2kk0 h ARG 109 Cb 0.17 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2kk0 h ARG 109 CO -0.17 -0.11 -0.05 1.15 -1.51 0.00 0.00 179.97 179.27 2kk0 h THR 110 N -0.17 1.36 -0.72 0.20 2.02 -1.30 -2.68 112.91 111.62 2kk0 h THR 110 Ca 0.14 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 2kk0 h THR 110 Cb 0.37 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 2kk0 h THR 110 CO -0.34 0.32 0.33 1.56 0.37 0.00 0.00 175.52 177.77 2kk0 h GLN 111 N -0.28 1.05 -0.59 6.66 1.08 -1.12 -1.73 115.11 120.17 2kk0 h GLN 111 Ca 0.01 -0.16 0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2kk0 h GLN 111 Cb 0.55 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 2kk0 h GLN 111 CO 0.01 0.83 0.37 -0.92 -0.95 0.00 0.00 178.83 178.18 2kk0 h TYR 112 N 1.02 0.70 -0.01 2.96 5.03 -1.17 -1.65 116.97 123.85 2kk0 h TYR 112 Ca 0.25 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 2kk0 h TYR 112 Cb 0.14 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 2kk0 h TYR 112 CO 0.01 0.42 -0.03 1.98 -1.32 0.00 0.00 178.16 179.22 2kk0 h MET 113 N 0.75 0.02 0.03 1.82 4.05 -1.05 0.20 114.93 120.74 2kk0 h MET 113 Ca 0.23 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2kk0 h MET 113 Cb -0.02 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2kk0 h MET 113 CO -0.08 0.05 -0.01 0.87 0.23 0.00 0.00 176.91 177.96 2kk0 h LYS 114 N 0.02 -0.03 0.00 0.39 1.57 -0.58 -3.39 116.57 114.55 2kk0 h LYS 114 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.44 2kk0 h LYS 114 Cb 0.06 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2kk0 h LYS 114 CO 0.00 0.68 -1.98 0.66 -0.57 0.00 0.00 179.45 178.24 2kk0 n TYR 115 N -4.74 0.34 -0.03 -1.35 4.01 -0.69 -4.77 117.16 109.94 2kk0 n TYR 115 Ca -0.09 0.15 0.03 0.00 -0.16 0.00 0.00 57.90 57.83 2kk0 n TYR 115 Cb 0.35 -0.98 -0.15 0.00 -0.31 0.00 0.00 39.34 38.25 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 0.15 -0.08 7.72 4.77 0.08 -4.47 117.00 120.83 2kk0 n LEU 116 Ca -0.43 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.51 2kk0 n LEU 116 Cb 0.78 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 42.01 2kk0 n LEU 116 CO 0.09 0.17 0.92 0.22 -1.33 0.00 0.00 177.39 177.46 2kk0 h TYR 117 N 0.00 0.38 -0.77 -1.77 3.20 -0.91 0.02 116.97 117.13 2kk0 h TYR 117 Ca -0.20 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 61.79 2kk0 h TYR 117 Cb 1.48 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 2kk0 h TYR 117 CO 0.00 0.34 0.51 -1.35 -1.64 0.00 0.00 178.16 176.02 2kk0 h PRO 118 N 0.32 0.50 -0.12 1.82 0.11 -1.79 -0.93 132.00 131.90 2kk0 h PRO 118 Ca 0.09 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 2kk0 h PRO 118 Cb 0.09 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.10 2kk0 h PRO 118 CO -0.01 0.33 -0.57 -0.92 -0.21 0.00 0.00 178.00 176.62 2kk0 h TYR 119 N 0.51 0.81 0.45 0.65 3.20 -1.57 -2.31 116.97 118.70 2kk0 h TYR 119 Ca 0.38 -0.35 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2kk0 h TYR 119 Cb 0.74 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2kk0 h TYR 119 CO -0.00 1.14 -0.23 1.49 -1.64 0.00 0.00 178.16 178.92 2kk0 h GLU 120 N 0.24 -0.60 0.00 1.82 4.81 -0.44 -0.32 114.58 120.09 2kk0 h GLU 120 Ca -0.04 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2kk0 h GLU 120 Cb 1.20 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 2kk0 h GLU 120 CO 0.12 -0.40 -0.04 0.00 -0.73 0.00 0.00 179.01 177.95 2kk0 h GLU 122 N 0.00 -0.12 -0.12 0.00 4.57 -1.18 -3.40 114.58 114.33 2kk0 h GLU 122 Ca -0.00 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 2kk0 h GLU 122 Cb 0.08 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2kk0 h GLU 122 CO 0.01 -0.08 -0.55 0.87 -1.18 0.00 0.00 179.01 178.08 2kk0 h LYS 123 N -0.48 0.37 0.00 1.92 1.79 -1.07 -3.45 116.57 115.65 2kk0 h LYS 123 Ca -0.01 -0.23 -0.48 0.00 -2.18 0.00 0.00 60.65 57.75 2kk0 h LYS 123 Cb 0.10 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 2kk0 h LYS 123 CO 0.02 0.82 -0.25 0.54 -1.08 0.00 0.00 179.45 179.50 2kk0 n ARG 124 N -3.93 0.88 -2.66 3.15 5.12 0.61 -5.08 116.66 114.75 2kk0 n ARG 124 Ca -0.03 -2.80 -0.10 0.00 -1.93 0.00 0.00 57.85 53.00 2kk0 n ARG 124 Cb 0.59 0.40 0.03 0.00 -1.16 0.00 0.00 32.46 32.32 2kk0 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kk0 n GLY 125 N -0.21 2.14 0.04 -0.13 0.00 -1.26 -4.43 105.19 101.33 2kk0 n GLY 125 Ca -0.05 -1.43 -0.00 0.00 0.00 0.00 0.00 46.02 44.54 2kk0 n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kk0 h LEU 126 N 2.86 -0.01-10.41 0.99 3.38 -1.88 -3.48 115.31 106.77 2kk0 h LEU 126 Ca -0.05 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.34 2kk0 h LEU 126 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2kk0 h LEU 126 CO 0.48 0.38 -0.26 -0.94 0.09 0.00 0.00 178.44 178.19 2kk0 s SER 127 N -4.95 4.69 0.06 -0.43 1.04 -1.26 -4.93 113.70 107.92 2kk0 s SER 127 Ca -0.00 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.25 2kk0 s SER 127 Cb 0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2kk0 s SER 127 CO 0.00 -1.17 -0.09 0.20 0.98 0.00 0.00 173.24 173.16 2kk0 s ASN 128 N -4.36 1.09 0.48 7.02 0.01 -1.26 -4.93 114.94 113.00 2kk0 s ASN 128 Ca 0.38 -0.65 0.20 0.00 -0.71 0.00 0.00 52.86 52.08 2kk0 s ASN 128 Cb -0.03 0.03 1.22 0.00 0.41 0.00 0.00 41.25 42.88 2kk0 s ASN 128 CO 0.24 -0.23 2.03 1.55 -1.51 0.00 0.00 177.10 179.18 2kk0 h PRO 129 N 4.15 0.00 0.35 -0.60 0.13 -2.01 -1.97 132.00 132.04 2kk0 h PRO 129 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 2kk0 h PRO 129 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kk0 h PRO 129 CO 0.45 0.16 -0.17 -0.91 -0.23 0.00 0.00 178.00 177.30 2kk0 h ASN 130 N 0.00 -0.39 -0.31 1.44 -0.26 -2.02 -3.26 115.58 110.77 2kk0 h ASN 130 Ca -0.00 -0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.62 2kk0 h ASN 130 Cb 0.33 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 2kk0 h ASN 130 CO 0.02 0.06 0.21 1.05 -1.06 0.00 0.00 177.43 177.71 2kk0 h GLU 131 N -1.00 0.37 -0.56 0.81 4.11 -1.98 -2.82 114.58 113.50 2kk0 h GLU 131 Ca -0.05 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.47 2kk0 h GLU 131 Cb 0.50 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.57 2kk0 h GLU 131 CO 0.08 0.24 -0.03 1.25 0.07 0.00 0.00 179.01 180.62 2kk0 h LEU 132 N 0.38 -0.30 -0.75 3.06 5.85 -1.40 -0.97 115.31 121.18 2kk0 h LEU 132 Ca 0.12 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2kk0 h LEU 132 Cb 0.03 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2kk0 h LEU 132 CO -0.03 -0.12 0.44 -0.61 -0.34 0.00 0.00 178.44 177.79 2kk0 h GLN 133 N 0.09 1.03 -0.72 1.25 5.75 -1.54 -1.71 115.11 119.25 2kk0 h GLN 133 Ca 0.29 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 2kk0 h GLN 133 Cb 0.45 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 2kk0 h GLN 133 CO -0.50 0.75 0.25 0.00 -2.65 0.00 0.00 178.83 176.67 2kk0 h ALA 134 N 1.23 1.06 0.12 3.38 0.00 -1.43 -0.34 119.26 123.29 2kk0 h ALA 134 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kk0 h ALA 134 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2kk0 h ALA 134 CO -0.05 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 2kk0 h ALA 135 N 1.20 -0.22 -0.32 0.00 0.00 -0.77 -1.43 119.26 117.71 2kk0 h ALA 135 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2kk0 h ALA 135 Cb 0.27 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kk0 h ALA 135 CO -0.01 -0.64 0.18 0.82 0.00 0.00 0.00 179.25 179.59 2kk0 h ILE 136 N -0.25 1.13 -0.13 0.00 2.04 -1.13 -2.53 117.51 116.64 2kk0 h ILE 136 Ca 0.00 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2kk0 h ILE 136 Cb 0.24 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2kk0 h ILE 136 CO -0.02 0.13 0.04 -0.78 0.00 0.00 0.00 178.15 177.52 2kk0 h ASP 137 N 0.40 0.05 -0.72 1.72 3.58 -1.00 -1.02 116.42 119.41 2kk0 h ASP 137 Ca 0.11 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.66 2kk0 h ASP 137 Cb 0.06 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.05 2kk0 h ASP 137 CO -0.02 0.05 0.39 0.28 -2.88 0.00 0.00 179.24 177.06 2kk0 h SER 138 N 0.11 0.54 -0.63 2.28 0.02 -1.17 -0.29 113.55 114.42 2kk0 h SER 138 Ca 0.06 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2kk0 h SER 138 Cb 0.03 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2kk0 h SER 138 CO -0.06 0.32 0.22 0.78 -1.14 0.00 0.00 176.83 176.96 2kk0 h ASN 139 N 0.67 0.89 -0.02 3.07 2.35 -1.17 -2.82 115.58 118.56 2kk0 h ASN 139 Ca 0.34 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2kk0 h ASN 139 Cb 0.31 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2kk0 h ASN 139 CO -0.24 0.84 -0.07 0.03 -1.65 0.00 0.00 177.43 176.34 2kk0 h ARG 140 N 0.88 0.22 0.00 0.81 3.08 -0.11 -2.19 114.38 117.08 2kk0 h ARG 140 Ca 0.21 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2kk0 h ARG 140 Cb 0.25 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2kk0 h ARG 140 CO -0.01 0.31 0.00 -2.13 -1.07 0.00 0.00 179.97 177.07 2kk0 n ARG 141 N -4.33 0.00 0.00 0.04 0.63 -0.22 -3.13 116.66 109.64 2kk0 n ARG 141 Ca -0.01 0.09 0.11 0.00 -0.92 0.00 0.00 57.85 57.12 2kk0 n ARG 141 Cb 0.22 -1.50 0.49 0.00 0.45 0.00 0.00 32.46 32.12 2kk0 n ARG 141 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kk0 n GLU 142 N -1.50 0.07 -3.27 -0.14 1.02 -0.82 -4.48 120.64 111.52 2kk0 n GLU 142 Ca 0.06 0.11 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 2kk0 n GLU 142 Cb 0.28 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 2kk0 n GLU 142 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kk0 s GLY 143 N -2.90 -0.73 0.20 0.62 0.00 -1.18 -5.15 107.32 98.17 2kk0 s GLY 143 Ca 0.13 0.12 0.03 0.00 0.00 0.00 0.00 44.72 45.00 2kk0 s GLY 143 CO 0.39 3.22 0.28 0.54 0.00 0.00 0.00 173.10 177.53 2kk0 n ARG 144 N 4.95 0.88 0.00 2.90 3.00 -1.26 -5.01 116.66 122.12 2kk0 n ARG 144 Ca 0.06 -1.11 0.08 0.00 -0.01 0.00 0.00 57.85 56.87 2kk0 n ARG 144 Cb 0.51 -0.07 0.07 0.00 0.00 0.00 0.00 32.46 32.96 2kk0 n ARG 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17