#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 0.94 3.57 -5.12 0.00 -1.26 -4.93 105.19 98.39 2kk0 n GLY 2 Ca 0.00 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 2kk0 n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kk0 s HIS 3 N -1.00 1.95 -0.84 1.61 -0.00 -1.26 -4.88 115.29 110.88 2kk0 s HIS 3 Ca 0.00 0.41 -0.23 0.00 -0.00 0.00 0.00 55.06 55.24 2kk0 s HIS 3 Cb 0.00 -4.05 -0.18 0.00 -0.00 0.00 0.00 32.58 28.35 2kk0 s HIS 3 CO 0.00 -1.39 2.31 -2.39 -0.00 0.00 0.00 174.74 173.27 2kk0 n HIS 4 N 13.94 0.93 -3.88 0.38 1.44 -1.26 -4.87 115.22 121.89 2kk0 n HIS 4 Ca 0.43 -0.03 -0.35 0.00 -2.01 0.00 0.00 57.72 55.76 2kk0 n HIS 4 Cb 0.47 -2.23 -0.13 0.00 0.12 0.00 0.00 29.99 28.21 2kk0 n HIS 4 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kk0 s HIS 5 N 12.43 3.39 0.00 -1.40 4.02 -1.26 -5.04 115.29 127.42 2kk0 s HIS 5 Ca 0.96 -2.11 0.00 0.00 1.02 0.00 0.00 55.06 54.93 2kk0 s HIS 5 Cb -0.24 -2.46 0.00 0.00 -1.02 0.00 0.00 32.58 28.86 2kk0 s HIS 5 CO 0.17 -0.86 0.00 0.72 1.02 0.00 0.00 174.74 175.79 2kk0 n HIS 6 N 4.58 0.00 -1.66 1.40 8.25 -1.26 -4.71 115.22 121.82 2kk0 n HIS 6 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.94 2kk0 n HIS 6 Cb 0.43 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 2kk0 n HIS 6 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kk0 s HIS 7 N -0.31 1.26 -0.04 4.41 0.00 -1.26 -4.89 115.29 114.46 2kk0 s HIS 7 Ca 0.00 0.34 -0.30 0.00 -3.00 0.00 0.00 55.06 52.11 2kk0 s HIS 7 Cb 0.00 -4.01 -0.07 0.00 -4.00 0.00 0.00 32.58 24.51 2kk0 s HIS 7 CO 0.00 -4.28 1.82 -1.58 -1.00 0.00 0.00 174.74 169.70 2kk0 s HIS 8 N 7.34 1.64 -0.63 0.38 2.46 -1.26 -4.91 115.29 120.31 2kk0 s HIS 8 Ca 0.96 -0.03 -0.26 0.00 0.47 0.00 0.00 55.06 56.20 2kk0 s HIS 8 Cb -0.34 -4.06 -0.02 0.00 -0.13 0.00 0.00 32.58 28.03 2kk0 s HIS 8 CO 0.36 -4.51 1.84 -1.54 -2.47 0.00 0.00 174.74 168.42 2kk0 s SER 9 N 4.23 5.30 -0.36 9.88 1.04 -1.26 -4.90 113.70 127.63 2kk0 s SER 9 Ca 0.81 0.26 0.01 0.00 0.48 0.00 0.00 55.95 57.52 2kk0 s SER 9 Cb -0.36 -2.53 0.15 0.00 0.10 0.00 0.00 66.02 63.37 2kk0 s SER 9 CO 0.35 -2.37 0.27 -2.28 0.98 0.00 0.00 173.24 170.19 2kk0 s HIS 10 N 8.97 0.50 0.04 5.02 2.46 -1.26 -5.13 115.29 125.89 2kk0 s HIS 10 Ca 0.66 -1.51 0.07 0.00 0.47 0.00 0.00 55.06 54.75 2kk0 s HIS 10 Cb -0.12 -0.78 -0.03 0.00 -0.13 0.00 0.00 32.58 31.52 2kk0 s HIS 10 CO 0.20 -0.87 -0.20 -1.64 -2.47 0.00 0.00 174.74 169.76 2kk0 s MET 11 N 1.04 1.37 -0.71 2.88 -1.94 -1.26 -5.07 119.30 115.60 2kk0 s MET 11 Ca 0.20 -0.94 -0.26 0.00 -1.71 0.00 0.00 55.69 52.98 2kk0 s MET 11 Cb -0.18 -1.48 -0.06 0.00 2.01 0.00 0.00 34.83 35.11 2kk0 s MET 11 CO -0.02 0.38 2.12 -1.25 -0.01 0.00 0.00 175.02 176.24 2kk0 s PRO 12 N -1.19 2.27 0.82 2.03 0.04 -1.26 -4.97 135.00 132.75 2kk0 s PRO 12 Ca 0.07 0.50 -0.14 0.00 0.04 0.00 0.00 61.00 61.47 2kk0 s PRO 12 Cb -0.09 -4.71 0.20 0.00 0.04 0.00 0.00 34.50 29.95 2kk0 s PRO 12 CO 0.02 -3.41 0.76 -3.47 0.04 0.00 0.00 177.00 170.94 2kk0 n ASP 13 N 15.08 -1.58 -0.03 6.66 2.03 -1.26 -5.01 116.55 132.43 2kk0 n ASP 13 Ca 0.35 -0.99 0.02 0.00 0.52 0.00 0.00 54.79 54.69 2kk0 n ASP 13 Cb 0.49 -0.69 0.03 0.00 -0.72 0.00 0.00 41.12 40.23 2kk0 n ASP 13 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2kk0 n HIS 14 N -4.04 0.01 -0.20 -0.67 -0.00 -1.26 -4.99 115.22 104.08 2kk0 n HIS 14 Ca 0.10 -0.59 0.00 0.00 0.46 0.00 0.00 57.72 57.69 2kk0 n HIS 14 Cb 0.40 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.20 2kk0 n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kk0 n GLY 15 N -0.65 -1.64 0.00 1.57 0.00 -1.26 -4.88 105.19 98.33 2kk0 n GLY 15 Ca 0.03 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.63 2kk0 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kk0 n ASP 16 N -0.83 0.00 0.17 1.61 8.00 -1.26 -3.81 116.55 120.44 2kk0 n ASP 16 Ca 0.00 -0.63 0.18 0.00 0.71 0.00 0.00 54.79 55.06 2kk0 n ASP 16 Cb 0.00 0.00 0.81 0.00 -0.02 0.00 0.00 41.12 41.91 2kk0 n ASP 16 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2kk0 h TRP 17 N 0.00 0.00 -0.21 1.24 5.08 -1.95 -2.30 115.95 117.82 2kk0 h TRP 17 Ca 0.00 0.00 0.06 0.00 1.08 0.00 0.00 58.89 60.03 2kk0 h TRP 17 Cb 0.00 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.10 2kk0 h TRP 17 CO 0.00 0.00 -0.19 1.79 -1.28 0.00 0.00 178.44 178.76 2kk0 h THR 18 N 0.00 0.49 -3.13 0.12 1.35 -1.95 -3.32 112.91 106.47 2kk0 h THR 18 Ca 0.12 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.35 2kk0 h THR 18 Cb 0.67 0.49 -0.41 0.00 -1.73 0.00 0.00 68.15 67.17 2kk0 h THR 18 CO -0.00 0.00 -0.69 -0.31 -0.25 0.00 0.00 175.52 174.27 2kk0 s TYR 19 N -6.12 2.58 -1.13 4.73 2.02 -0.86 -5.05 117.35 113.52 2kk0 s TYR 19 Ca -0.15 -2.81 -0.21 0.00 -0.37 0.00 0.00 57.07 53.53 2kk0 s TYR 19 Cb 0.12 -2.31 -0.07 0.00 -0.40 0.00 0.00 41.96 39.30 2kk0 s TYR 19 CO 0.68 -0.74 1.91 -1.91 -1.57 0.00 0.00 175.55 173.92 2kk0 n GLU 20 N 3.19 1.96 -0.06 -0.62 4.07 -1.23 -4.51 120.64 123.43 2kk0 n GLU 20 Ca 0.09 -2.49 -0.06 0.00 -0.06 0.00 0.00 57.16 54.63 2kk0 n GLU 20 Cb 0.34 -3.48 -0.04 0.00 -0.06 0.00 0.00 31.44 28.19 2kk0 n GLU 20 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2kk0 h GLU 21 N 8.67 0.00 -0.66 5.31 4.39 -1.96 -3.48 114.58 126.86 2kk0 h GLU 21 Ca 0.33 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.20 2kk0 h GLU 21 Cb 0.85 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.29 2kk0 h GLU 21 CO 1.47 0.33 -0.02 -1.14 -1.16 0.00 0.00 179.01 178.50 2kk0 s GLN 22 N -1.93 0.34 -0.95 2.33 2.00 -1.26 -5.10 119.66 115.10 2kk0 s GLN 22 Ca -0.10 0.63 -0.23 0.00 -2.00 0.00 0.00 55.36 53.66 2kk0 s GLN 22 Cb 0.00 0.36 -0.24 0.00 0.80 0.00 0.00 33.01 33.93 2kk0 s GLN 22 CO 0.26 -0.35 2.49 0.34 -0.50 0.00 0.00 175.29 177.53 2kk0 n PHE 23 N 5.42 0.48 0.10 1.67 -0.00 -1.26 -4.77 117.46 119.10 2kk0 n PHE 23 Ca -0.05 0.22 -0.05 0.00 -0.00 0.00 0.00 57.45 57.57 2kk0 n PHE 23 Cb 0.53 -1.81 0.11 0.00 -0.00 0.00 0.00 39.48 38.31 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 12.36 0.18 -0.87 -4.13 1.63 -1.96 -3.36 116.57 120.41 2kk0 h LYS 24 Ca -0.03 -0.13 0.19 0.00 -0.85 0.00 0.00 60.65 59.82 2kk0 h LYS 24 Cb 1.23 0.02 -0.11 0.00 -0.60 0.00 0.00 32.23 32.78 2kk0 h LYS 24 CO 1.43 0.76 0.42 0.37 -3.45 0.00 0.00 179.45 178.98 2kk0 h GLN 25 N 0.12 0.49 -0.74 1.90 5.75 -1.93 -0.49 115.11 120.21 2kk0 h GLN 25 Ca -0.01 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.52 2kk0 h GLN 25 Cb 1.17 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.55 2kk0 h GLN 25 CO 0.10 0.32 0.44 -0.07 -2.65 0.00 0.00 178.83 176.97 2kk0 h LEU 26 N 0.51 0.67 -0.36 -2.39 3.38 -1.97 0.68 115.31 115.83 2kk0 h LEU 26 Ca 0.51 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.41 2kk0 h LEU 26 Cb 0.87 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2kk0 h LEU 26 CO -0.45 0.44 -0.15 1.88 0.09 0.00 0.00 178.44 180.24 2kk0 h TYR 27 N 0.81 0.84 -0.71 1.13 -1.99 -1.36 -3.28 116.97 112.41 2kk0 h TYR 27 Ca 0.33 -0.20 -0.40 0.00 2.00 0.00 0.00 58.73 60.45 2kk0 h TYR 27 Cb 0.17 -0.20 -0.23 0.00 2.00 0.00 0.00 36.73 38.47 2kk0 h TYR 27 CO -0.06 0.92 0.27 0.39 -0.00 0.00 0.00 178.16 179.68 2kk0 n GLU 28 N -4.33 2.22 0.08 4.88 1.02 -1.02 -4.25 120.64 119.25 2kk0 n GLU 28 Ca -0.02 -3.21 -0.12 0.00 -0.02 0.00 0.00 57.16 53.79 2kk0 n GLU 28 Cb 0.39 -2.05 -0.05 0.00 -0.02 0.00 0.00 31.44 29.71 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 1.22 -0.77 0.00 -4.62 3.38 -0.93 -3.38 115.31 110.20 2kk0 h LEU 29 Ca 0.44 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 2kk0 h LEU 29 Cb 2.00 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 43.05 2kk0 h LEU 29 CO 0.85 -0.34 -1.07 0.47 0.09 0.00 0.00 178.44 178.44 2kk0 n ASP 30 N -5.38 4.35 0.00 -0.43 9.92 -1.26 -5.05 116.55 118.70 2kk0 n ASP 30 Ca -0.05 -0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 2kk0 n ASP 30 Cb 0.29 0.28 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kk0 n GLY 31 N 3.16 1.91 3.72 0.44 0.00 -1.26 -5.09 105.19 108.07 2kk0 n GLY 31 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 6.93 0.61 1.61 1.11 -1.26 -4.91 116.67 118.76 2kk0 s ASP 32 Ca 0.00 2.24 0.34 0.00 0.18 0.00 0.00 52.55 55.31 2kk0 s ASP 32 Cb 0.00 -2.59 1.99 0.00 1.07 0.00 0.00 42.92 43.39 2kk0 s ASP 32 CO 0.00 -0.56 2.28 1.55 1.18 0.00 0.00 175.17 179.62 2kk0 h PRO 33 N 6.49 0.00 0.04 8.23 0.13 -1.98 -1.36 132.00 143.54 2kk0 h PRO 33 Ca -0.42 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.48 2kk0 h PRO 33 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2kk0 h PRO 33 CO 0.83 0.00 -1.05 0.87 -0.23 0.00 0.00 178.00 178.41 2kk0 h LYS 34 N 0.00 0.08 0.36 0.86 1.79 -2.01 -3.38 116.57 114.27 2kk0 h LYS 34 Ca 0.01 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 2kk0 h LYS 34 Cb 0.04 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2kk0 h LYS 34 CO -0.00 1.05 -0.17 -0.09 -1.08 0.00 0.00 179.45 179.16 2kk0 h ARG 35 N 0.02 -0.47 0.00 3.15 2.43 -1.61 -2.35 114.38 115.56 2kk0 h ARG 35 Ca -0.04 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2kk0 h ARG 35 Cb 1.80 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 2kk0 h ARG 35 CO 0.15 -0.23 -0.19 1.57 -1.51 0.00 0.00 179.97 179.76 2kk0 h LYS 36 N -0.61 0.00 0.28 0.20 -0.00 -1.77 -1.53 116.57 113.14 2kk0 h LYS 36 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.59 2kk0 h LYS 36 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.68 2kk0 h LYS 36 CO 0.08 0.19 -0.13 0.93 -0.00 0.00 0.00 179.45 180.52 2kk0 h GLU 37 N 0.00 -0.36 -0.28 0.07 5.08 -1.67 -0.56 114.58 116.86 2kk0 h GLU 37 Ca -0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2kk0 h GLU 37 Cb 0.36 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2kk0 h GLU 37 CO 0.02 -0.18 0.04 0.35 -1.00 0.00 0.00 179.01 178.25 2kk0 h PHE 38 N -0.46 0.07 0.09 4.33 3.57 -1.05 -1.33 116.94 122.16 2kk0 h PHE 38 Ca -0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2kk0 h PHE 38 Cb 0.35 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2kk0 h PHE 38 CO -0.03 0.01 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.94 2kk0 h LEU 39 N 0.14 -0.10 -0.09 0.59 3.38 -1.25 0.13 115.31 118.12 2kk0 h LEU 39 Ca 0.13 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2kk0 h LEU 39 Cb 0.14 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2kk0 h LEU 39 CO -0.18 -0.05 -0.13 -0.78 0.09 0.00 0.00 178.44 177.38 2kk0 h ASP 40 N -0.14 -0.40 -0.56 -0.43 1.82 -0.98 -1.09 116.42 114.64 2kk0 h ASP 40 Ca -0.01 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2kk0 h ASP 40 Cb 0.11 0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 2kk0 h ASP 40 CO 0.02 -0.18 0.24 -0.78 -1.61 0.00 0.00 179.24 176.93 2kk0 h ASP 41 N -0.18 0.76 0.80 2.28 3.58 -1.16 -2.81 116.42 119.70 2kk0 h ASP 41 Ca 0.08 -0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 2kk0 h ASP 41 Cb 0.29 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2kk0 h ASP 41 CO -0.20 0.70 -0.41 0.25 -2.88 0.00 0.00 179.24 176.71 2kk0 h LEU 42 N 0.76 -0.99 -0.58 2.28 5.85 -0.44 -0.20 115.31 122.00 2kk0 h LEU 42 Ca 0.19 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.02 2kk0 h LEU 42 Cb 0.17 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2kk0 h LEU 42 CO -0.02 -0.68 0.27 -0.26 -0.34 0.00 0.00 178.44 177.41 2kk0 h PHE 43 N -1.11 0.48 -0.49 1.25 0.04 -1.23 -0.88 116.94 114.99 2kk0 h PHE 43 Ca -0.11 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 2kk0 h PHE 43 Cb 0.86 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 2kk0 h PHE 43 CO -0.04 0.19 0.04 1.03 -0.60 0.00 0.00 178.31 178.93 2kk0 h SER 44 N 0.49 0.82 0.21 2.17 0.87 -1.50 -1.60 113.55 115.01 2kk0 h SER 44 Ca 0.28 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2kk0 h SER 44 Cb 0.26 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2kk0 h SER 44 CO -0.23 0.90 -0.14 0.15 -0.53 0.00 0.00 176.83 176.98 2kk0 h PHE 45 N 0.71 -0.37 -0.14 2.24 3.57 -0.14 -2.41 116.94 120.40 2kk0 h PHE 45 Ca 0.14 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 2kk0 h PHE 45 Cb 0.46 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2kk0 h PHE 45 CO 0.03 -0.22 -0.54 0.00 -2.23 0.00 0.00 178.31 175.35 2kk0 h MET 46 N -0.35 0.39 -1.00 1.11 -0.00 -1.24 -3.15 114.93 110.70 2kk0 h MET 46 Ca -0.01 -0.24 0.02 0.00 -0.00 0.00 0.00 59.70 59.46 2kk0 h MET 46 Cb 0.30 0.03 -0.05 0.00 -0.00 0.00 0.00 31.60 31.88 2kk0 h MET 46 CO 0.00 0.83 0.66 0.37 -0.00 0.00 0.00 176.91 178.77 2kk0 h GLN 47 N 0.31 1.27 0.00 -0.10 4.15 -1.08 -2.24 115.11 117.42 2kk0 h GLN 47 Ca 0.01 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2kk0 h GLN 47 Cb 1.05 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 2kk0 h GLN 47 CO 0.09 0.84 -0.05 0.87 -1.93 0.00 0.00 178.83 178.65 2kk0 h LYS 48 N 1.31 0.00 -0.56 1.69 1.57 -1.39 -2.12 116.57 117.06 2kk0 h LYS 48 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2kk0 h LYS 48 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2kk0 h LYS 48 CO -0.10 0.05 0.00 2.89 -0.57 0.00 0.00 179.45 181.72 2kk0 n ARG 49 N -3.31 4.74 -1.40 3.15 1.85 -0.88 -4.93 116.66 115.87 2kk0 n ARG 49 Ca -0.01 -3.14 0.00 0.00 -1.00 0.00 0.00 57.85 53.70 2kk0 n ARG 49 Cb 0.21 -2.23 0.00 0.00 -1.05 0.00 0.00 32.46 29.40 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 0.59 0.68 2.79 2.89 0.00 -0.80 -5.04 105.19 106.31 2kk0 n GLY 50 Ca 0.27 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.38 0.75 2.61 -1.32 -0.94 -5.03 115.64 109.32 2kk0 s THR 51 Ca 0.00 -0.89 -0.03 0.00 -1.21 0.00 0.00 61.69 59.56 2kk0 s THR 51 Cb 0.00 -0.66 0.13 0.00 -1.51 0.00 0.00 72.50 70.47 2kk0 s THR 51 CO 0.00 -0.54 1.03 -2.16 -2.21 0.00 0.00 174.62 170.74 2kk0 s PRO 52 N 1.53 1.58 -0.38 7.08 0.04 -1.26 -2.72 135.00 140.86 2kk0 s PRO 52 Ca 0.16 -1.00 0.01 0.00 0.04 0.00 0.00 61.00 60.21 2kk0 s PRO 52 Cb -0.14 -2.27 0.11 0.00 0.04 0.00 0.00 34.50 32.23 2kk0 s PRO 52 CO -0.06 -1.55 0.13 0.08 0.04 0.00 0.00 177.00 175.64 2kk0 s VAL 53 N -3.23 2.73 -0.21 -0.36 1.01 -1.26 -4.96 120.40 114.13 2kk0 s VAL 53 Ca 0.67 -2.28 -0.16 0.00 0.00 0.00 0.00 61.98 60.21 2kk0 s VAL 53 Cb -0.05 -2.94 -0.11 0.00 0.00 0.00 0.00 36.38 33.28 2kk0 s VAL 53 CO 0.45 -0.65 -0.15 0.59 0.00 0.00 0.00 175.10 175.34 2kk0 n ASN 54 N 4.33 1.89 -4.37 3.32 4.13 -1.26 -4.90 115.26 118.40 2kk0 n ASN 54 Ca 0.02 0.43 -0.35 0.00 1.68 0.00 0.00 54.58 56.36 2kk0 n ASN 54 Cb 0.41 -0.86 -0.13 0.00 -1.54 0.00 0.00 39.78 37.66 2kk0 n ASN 54 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2kk0 s ARG 55 N -2.48 3.49 0.06 3.52 3.52 -1.26 -5.02 118.95 120.78 2kk0 s ARG 55 Ca -0.28 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.45 2kk0 s ARG 55 Cb 0.07 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.32 2kk0 s ARG 55 CO 0.44 -0.15 0.95 0.42 -0.81 0.00 0.00 175.30 176.16 2kk0 s ILE 56 N 1.40 4.68 0.34 4.11 1.01 -1.26 -5.02 121.20 126.45 2kk0 s ILE 56 Ca 0.05 2.03 -0.28 0.00 0.00 0.00 0.00 60.65 62.45 2kk0 s ILE 56 Cb -0.15 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 37.92 2kk0 s ILE 56 CO -0.00 0.25 1.25 -2.16 0.00 0.00 0.00 174.94 174.28 2kk0 s PRO 57 N 0.43 4.34 0.02 2.79 0.04 -1.26 -4.98 135.00 136.37 2kk0 s PRO 57 Ca 0.48 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.68 2kk0 s PRO 57 Cb -0.22 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 2kk0 s PRO 57 CO 0.28 -0.16 -0.18 0.42 0.04 0.00 0.00 177.00 177.41 2kk0 s ILE 58 N -1.19 2.80 -0.05 0.56 -1.09 -1.26 -2.22 121.20 118.76 2kk0 s ILE 58 Ca 0.50 -1.07 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 2kk0 s ILE 58 Cb -0.37 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.39 2kk0 s ILE 58 CO 0.49 0.41 0.10 -0.32 -1.23 0.00 0.00 174.94 174.39 2kk0 s MET 59 N -1.22 0.07 -1.66 2.79 -2.45 0.48 -4.88 119.30 112.44 2kk0 s MET 59 Ca 0.14 0.25 -0.02 0.00 -1.25 0.00 0.00 55.69 54.81 2kk0 s MET 59 Cb -0.10 -0.11 0.00 0.00 1.25 0.00 0.00 34.83 35.87 2kk0 s MET 59 CO 0.04 -0.11 0.20 0.00 1.05 0.00 0.00 175.02 176.20 2kk0 n ALA 60 N 3.78 -0.75 -1.62 4.11 0.00 -1.26 -1.35 120.51 123.42 2kk0 n ALA 60 Ca -0.22 0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 2kk0 n ALA 60 Cb 0.54 -2.69 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 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 -3.33 -0.99 -4.10 0.00 4.76 -1.26 -5.01 118.16 108.23 2kk0 n LYS 61 Ca -0.19 0.90 -0.08 0.00 -2.87 0.00 0.00 58.31 56.07 2kk0 n LYS 61 Cb 0.66 -5.02 -0.10 0.00 -1.84 0.00 0.00 35.03 28.73 2kk0 n LYS 61 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2kk0 s GLN 62 N -3.56 0.67 0.40 1.97 -2.07 -0.46 -4.72 119.66 111.89 2kk0 s GLN 62 Ca 0.00 -1.26 -0.25 0.00 -1.82 0.00 0.00 55.36 52.03 2kk0 s GLN 62 Cb 0.00 0.18 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 2kk0 s GLN 62 CO 0.00 -0.12 1.18 0.54 -1.32 0.00 0.00 175.29 175.57 2kk0 s VAL 63 N -3.91 3.09 -0.62 3.63 0.11 -1.26 -0.38 120.40 121.05 2kk0 s VAL 63 Ca 0.10 0.93 -0.28 0.00 -2.93 0.00 0.00 61.98 59.80 2kk0 s VAL 63 Cb 0.08 -3.52 0.02 0.00 -1.53 0.00 0.00 36.38 31.42 2kk0 s VAL 63 CO -0.08 0.09 1.39 -0.22 -3.33 0.00 0.00 175.10 172.95 2kk0 s LEU 64 N -2.47 3.32 -0.93 2.54 2.96 -0.94 -4.75 118.68 118.41 2kk0 s LEU 64 Ca 0.57 0.05 -0.26 0.00 -0.22 0.00 0.00 54.13 54.27 2kk0 s LEU 64 Cb -0.32 -2.87 -0.19 0.00 0.50 0.00 0.00 46.19 43.31 2kk0 s LEU 64 CO 0.40 -1.78 2.23 0.47 -1.32 0.00 0.00 176.35 176.35 2kk0 n ASP 65 N 9.68 1.42 -0.27 3.68 9.92 -1.26 -4.76 116.55 134.96 2kk0 n ASP 65 Ca 0.10 -1.98 0.11 0.00 -0.53 0.00 0.00 54.79 52.48 2kk0 n ASP 65 Cb 0.49 -1.66 0.36 0.00 -0.64 0.00 0.00 41.12 39.67 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 22.20 0.69 0.09 0.64 3.38 -1.96 0.40 115.31 140.76 2kk0 h LEU 66 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kk0 h LEU 66 Cb 1.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2kk0 h LEU 66 CO 1.01 0.36 -0.04 0.15 0.09 0.00 0.00 178.44 180.01 2kk0 h PHE 67 N 0.74 -0.11 -0.00 1.13 3.57 -1.94 -2.13 116.94 118.20 2kk0 h PHE 67 Ca 0.44 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.78 2kk0 h PHE 67 Cb 0.64 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2kk0 h PHE 67 CO -0.00 -0.05 -0.72 0.52 -2.23 0.00 0.00 178.31 175.82 2kk0 h MET 68 N -0.14 0.03 -0.17 1.11 2.86 -1.78 -2.89 114.93 113.94 2kk0 h MET 68 Ca -0.01 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2kk0 h MET 68 Cb 0.11 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2kk0 h MET 68 CO 0.02 0.74 -0.03 1.25 1.06 0.00 0.00 176.91 179.94 2kk0 h LEU 69 N 0.02 -0.14 -0.00 1.22 5.85 -0.07 0.22 115.31 122.41 2kk0 h LEU 69 Ca -0.01 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2kk0 h LEU 69 Cb 1.28 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2kk0 h LEU 69 CO 0.10 -0.05 -0.06 0.22 -0.34 0.00 0.00 178.44 178.31 2kk0 h TYR 70 N 0.01 -0.15 -0.03 1.25 3.20 -1.37 -1.85 116.97 118.04 2kk0 h TYR 70 Ca 0.08 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.99 2kk0 h TYR 70 Cb 0.12 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 2kk0 h TYR 70 CO -0.19 -0.10 -0.37 0.28 -1.64 0.00 0.00 178.16 176.14 2kk0 h VAL 71 N -0.11 0.23 -0.04 1.81 2.07 -1.23 -1.11 116.25 117.87 2kk0 h VAL 71 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2kk0 h VAL 71 Cb 0.14 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2kk0 h VAL 71 CO -0.07 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.47 2kk0 h LEU 72 N -0.51 0.05 -0.44 2.57 -0.00 -0.92 -0.99 115.31 115.07 2kk0 h LEU 72 Ca 0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2kk0 h LEU 72 Cb 0.60 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 2kk0 h LEU 72 CO -0.31 0.15 0.29 0.58 -0.00 0.00 0.00 178.44 179.16 2kk0 h VAL 73 N -0.05 1.12 -0.30 1.22 2.07 -1.26 -1.87 116.25 117.18 2kk0 h VAL 73 Ca 0.01 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2kk0 h VAL 73 Cb 0.12 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2kk0 h VAL 73 CO -0.00 0.12 0.05 0.71 0.02 0.00 0.00 177.57 178.47 2kk0 h THR 74 N 0.60 1.23 0.00 2.57 1.35 -1.13 0.73 112.91 118.26 2kk0 h THR 74 Ca 0.16 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2kk0 h THR 74 Cb -0.06 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2kk0 h THR 74 CO -0.03 0.26 0.00 -1.84 -0.25 0.00 0.00 175.52 173.65 2kk0 n GLU 75 N -4.64 0.14 0.10 4.72 -0.00 -0.38 -1.10 120.64 119.47 2kk0 n GLU 75 Ca -0.02 0.38 0.05 0.00 -0.00 0.00 0.00 57.16 57.57 2kk0 n GLU 75 Cb 0.21 -1.78 -0.01 0.00 -0.00 0.00 0.00 31.44 29.86 2kk0 n GLU 75 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2kk0 h LYS 76 N 0.00 0.00 0.00 3.44 1.79 -1.04 -3.48 116.57 117.28 2kk0 h LYS 76 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kk0 h LYS 76 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2kk0 h LYS 76 CO 0.00 0.24 0.00 0.41 -1.08 0.00 0.00 179.45 179.02 2kk0 n GLY 77 N 1.27 0.29 0.00 3.86 0.00 -0.26 -4.83 105.19 105.52 2kk0 n GLY 77 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.13 0.42 -0.02 0.00 0.21 -4.50 105.19 103.43 2kk0 n GLY 78 Ca 0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.69 -0.09 0.99 5.85 -1.96 -0.44 115.31 117.97 2kk0 h LEU 79 Ca 0.00 0.25 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2kk0 h LEU 79 Cb 0.00 0.74 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2kk0 h LEU 79 CO 0.00 -0.35 -0.10 0.58 -0.34 0.00 0.00 178.44 178.22 2kk0 h VAL 80 N -0.27 0.71 -0.69 1.05 2.07 -1.95 -1.27 116.25 115.90 2kk0 h VAL 80 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 2kk0 h VAL 80 Cb 0.56 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2kk0 h VAL 80 CO -0.68 0.00 0.24 -0.08 0.02 0.00 0.00 177.57 177.07 2kk0 h GLU 81 N -0.13 1.03 -0.71 1.57 4.57 -1.64 0.11 114.58 119.38 2kk0 h GLU 81 Ca 0.07 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 2kk0 h GLU 81 Cb 0.24 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2kk0 h GLU 81 CO -0.17 0.86 0.29 0.28 -1.18 0.00 0.00 179.01 179.09 2kk0 h VAL 82 N 1.01 1.24 -0.39 0.32 2.07 -0.77 -0.39 116.25 119.33 2kk0 h VAL 82 Ca 0.23 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 2kk0 h VAL 82 Cb 0.24 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2kk0 h VAL 82 CO -0.01 0.30 -0.25 0.40 0.02 0.00 0.00 177.57 178.03 2kk0 h ILE 83 N 1.02 1.27 -0.54 4.57 2.04 -0.47 0.21 117.51 125.62 2kk0 h ILE 83 Ca 0.24 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 2kk0 h ILE 83 Cb 0.18 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2kk0 h ILE 83 CO -0.02 0.46 0.33 0.78 0.00 0.00 0.00 178.15 179.70 2kk0 h ASN 84 N 0.69 0.65 0.12 1.72 2.35 -0.21 -3.04 115.58 117.86 2kk0 h ASN 84 Ca 0.09 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2kk0 h ASN 84 Cb 0.78 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2kk0 h ASN 84 CO 0.06 0.52 -0.34 0.29 -1.65 0.00 0.00 177.43 176.31 2kk0 n LYS 85 N -4.66 1.04 -1.27 0.81 5.02 -0.21 -4.96 118.16 113.93 2kk0 n LYS 85 Ca 0.03 -0.74 -0.11 0.00 -2.02 0.00 0.00 58.31 55.47 2kk0 n LYS 85 Cb 0.05 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 2kk0 n LYS 85 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kk0 n LYS 86 N -0.34 -1.66 -0.35 1.97 4.01 0.74 -4.83 118.16 117.70 2kk0 n LYS 86 Ca 0.11 0.83 -0.04 0.00 -0.51 0.00 0.00 58.31 58.70 2kk0 n LYS 86 Cb 0.40 -5.15 0.02 0.00 -0.51 0.00 0.00 35.03 29.79 2kk0 n LYS 86 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2kk0 n LEU 87 N -1.30 4.37 0.22 -0.35 -0.00 -1.17 -4.37 117.00 114.40 2kk0 n LEU 87 Ca -0.11 -2.15 0.17 0.00 -0.00 0.00 0.00 56.01 53.92 2kk0 n LEU 87 Cb 0.54 -0.75 0.84 0.00 -0.00 0.00 0.00 43.42 44.06 2kk0 n LEU 87 CO 0.17 0.77 1.15 -0.50 -0.00 0.00 0.00 177.39 178.97 2kk0 h TRP 88 N 0.52 0.00 -0.22 1.47 4.06 -1.88 0.12 115.95 120.01 2kk0 h TRP 88 Ca 0.10 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.08 2kk0 h TRP 88 Cb 1.18 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 2kk0 h TRP 88 CO 0.32 0.00 0.15 0.07 -3.56 0.00 0.00 178.44 175.42 2kk0 h ARG 89 N 0.00 0.17 -0.66 0.49 0.11 -1.99 0.81 114.38 113.30 2kk0 h ARG 89 Ca 0.07 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.10 2kk0 h ARG 89 Cb 0.42 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 2kk0 h ARG 89 CO -0.00 0.12 0.25 0.93 0.10 0.00 0.00 179.97 181.37 2kk0 h GLU 90 N 0.18 0.98 -0.03 0.08 4.39 -1.13 -0.85 114.58 118.21 2kk0 h GLU 90 Ca 0.09 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2kk0 h GLU 90 Cb 0.16 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2kk0 h GLU 90 CO -0.02 0.81 -0.05 0.82 -1.16 0.00 0.00 179.01 179.41 2kk0 h ILE 91 N 0.96 1.44 -0.21 3.13 1.08 -0.99 -2.48 117.51 120.43 2kk0 h ILE 91 Ca 0.22 -1.39 0.03 0.00 -0.39 0.00 0.00 64.86 63.34 2kk0 h ILE 91 Cb 0.20 2.31 -0.03 0.00 -3.07 0.00 0.00 36.82 36.24 2kk0 h ILE 91 CO -0.02 0.37 0.04 0.71 -0.69 0.00 0.00 178.15 178.56 2kk0 h THR 92 N -0.46 0.90 -0.60 -0.27 1.35 -0.96 -2.22 112.91 110.64 2kk0 h THR 92 Ca 0.00 -0.04 0.02 0.00 -0.55 0.00 0.00 66.41 65.84 2kk0 h THR 92 Cb 0.63 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 2kk0 h THR 92 CO 0.01 0.02 0.40 0.50 -0.25 0.00 0.00 175.52 176.20 2kk0 h LYS 93 N 0.12 0.75 0.00 4.72 1.63 -1.21 0.24 116.57 122.81 2kk0 h LYS 93 Ca 0.10 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2kk0 h LYS 93 Cb 0.10 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2kk0 h LYS 93 CO -0.13 0.50 -0.03 0.78 -3.45 0.00 0.00 179.45 177.11 2kk0 h GLY 94 N 0.77 0.00 -2.78 5.01 0.00 -0.94 -1.55 103.07 103.58 2kk0 h GLY 94 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2kk0 h GLY 94 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 2kk0 n LEU 95 N -3.16 4.13 -1.58 3.11 4.77 0.28 -4.93 117.00 119.62 2kk0 n LEU 95 Ca -0.00 -2.07 -0.17 0.00 -0.03 0.00 0.00 56.01 53.73 2kk0 n LEU 95 Cb 0.27 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2kk0 n LEU 95 CO 0.27 0.90 -0.19 -3.20 -1.33 0.00 0.00 177.39 173.84 2kk0 n ASN 96 N 1.43 -4.99 -4.85 -1.43 4.05 -0.58 -4.98 115.26 103.90 2kk0 n ASN 96 Ca 0.24 0.21 -0.36 0.00 0.45 0.00 0.00 54.58 55.13 2kk0 n ASN 96 Cb 0.70 -4.03 -0.06 0.00 1.23 0.00 0.00 39.78 37.62 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 -4.29 4.38 0.01 1.20 1.43 0.57 -4.97 118.68 117.01 2kk0 s LEU 97 Ca 0.00 0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 53.75 2kk0 s LEU 97 Cb 0.00 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 2kk0 s LEU 97 CO 0.00 0.19 0.94 -2.16 0.23 0.00 0.00 176.35 175.55 2kk0 s PRO 98 N -1.70 4.56 0.00 1.29 0.04 -1.26 -3.66 135.00 134.28 2kk0 s PRO 98 Ca 0.32 1.36 0.07 0.00 0.04 0.00 0.00 61.00 62.79 2kk0 s PRO 98 Cb -0.15 -3.45 0.32 0.00 0.04 0.00 0.00 34.50 31.26 2kk0 s PRO 98 CO 0.17 0.00 1.17 -2.37 0.04 0.00 0.00 177.00 176.01 2kk0 n THR 99 N 3.73 1.28 0.28 1.26 5.66 -1.26 -2.14 114.28 123.09 2kk0 n THR 99 Ca 0.05 0.32 0.14 0.00 -3.05 0.00 0.00 64.05 61.51 2kk0 n THR 99 Cb 0.51 -1.20 0.87 0.00 -1.55 0.00 0.00 70.33 68.96 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 -1.30 1.09 0.87 -2.03 -3.40 113.55 108.78 2kk0 h SER 100 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2kk0 h SER 100 Cb 0.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2kk0 h SER 100 CO 0.00 0.00 1.14 -0.63 -0.53 0.00 0.00 176.83 176.81 2kk0 s ILE 101 N -4.69 3.08 0.39 2.23 1.01 -0.91 -4.82 121.20 117.50 2kk0 s ILE 101 Ca -0.05 0.01 0.12 0.00 0.00 0.00 0.00 60.65 60.73 2kk0 s ILE 101 Cb 0.15 -3.21 0.34 0.00 0.01 0.00 0.00 42.46 39.75 2kk0 s ILE 101 CO 0.56 -0.20 1.89 0.74 0.00 0.00 0.00 174.94 177.93 2kk0 h THR 102 N 7.55 0.80 -0.63 2.92 2.02 -1.92 -0.86 112.91 122.79 2kk0 h THR 102 Ca -0.16 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2kk0 h THR 102 Cb 1.17 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2kk0 h THR 102 CO 1.13 0.10 0.00 -1.54 0.37 0.00 0.00 175.52 175.58 2kk0 n SER 103 N -4.52 4.90 0.03 4.18 3.41 -1.26 -4.66 113.62 115.69 2kk0 n SER 103 Ca 0.16 -2.53 -0.02 0.00 -0.26 0.00 0.00 58.87 56.23 2kk0 n SER 103 Cb 0.52 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 2kk0 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kk0 h ALA 104 N 4.11 -0.90 -0.95 7.33 0.00 -1.53 -0.35 119.26 126.96 2kk0 h ALA 104 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2kk0 h ALA 104 Cb 1.54 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 2kk0 h ALA 104 CO 0.28 -0.90 0.60 0.00 0.00 0.00 0.00 179.25 179.23 2kk0 h ALA 105 N -1.82 1.71 -0.19 0.00 0.00 -1.83 0.23 119.26 117.38 2kk0 h ALA 105 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kk0 h ALA 105 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kk0 h ALA 105 CO 0.01 0.02 0.04 0.35 0.00 0.00 0.00 179.25 179.66 2kk0 h PHE 106 N 0.80 0.32 0.10 0.00 3.57 -1.84 -2.83 116.94 117.06 2kk0 h PHE 106 Ca 0.49 -0.04 -0.28 0.00 3.53 0.00 0.00 57.97 61.66 2kk0 h PHE 106 Cb 0.68 -0.09 0.03 0.00 2.79 0.00 0.00 35.95 39.36 2kk0 h PHE 106 CO -0.00 0.45 -1.15 1.15 -2.23 0.00 0.00 178.31 176.52 2kk0 h THR 107 N 0.11 1.30 -0.90 4.41 2.02 -0.50 -3.29 112.91 116.06 2kk0 h THR 107 Ca 0.06 -2.40 0.02 0.00 0.77 0.00 0.00 66.41 64.86 2kk0 h THR 107 Cb 0.29 2.67 -0.05 0.00 -1.74 0.00 0.00 68.15 69.32 2kk0 h THR 107 CO 0.00 0.73 0.60 -0.07 0.37 0.00 0.00 175.52 177.15 2kk0 h LEU 108 N 0.23 1.00 -0.65 2.58 3.38 -1.05 -1.19 115.31 119.62 2kk0 h LEU 108 Ca -0.17 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2kk0 h LEU 108 Cb 1.83 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.28 2kk0 h LEU 108 CO 0.22 0.70 0.34 -0.09 0.09 0.00 0.00 178.44 179.70 2kk0 h ARG 109 N 1.17 0.60 -0.04 1.13 2.43 -1.57 0.89 114.38 119.00 2kk0 h ARG 109 Ca 0.35 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2kk0 h ARG 109 Cb -0.05 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2kk0 h ARG 109 CO -0.09 0.40 -0.00 1.15 -1.51 0.00 0.00 179.97 179.91 2kk0 h THR 110 N 0.62 1.26 0.07 0.20 2.02 -1.45 -2.47 112.91 113.17 2kk0 h THR 110 Ca 0.30 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.68 2kk0 h THR 110 Cb 0.23 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2kk0 h THR 110 CO -0.20 0.22 -0.10 1.56 0.37 0.00 0.00 175.52 177.36 2kk0 h GLN 111 N -0.25 -0.21 -0.99 6.66 1.08 -0.96 -1.68 115.11 118.77 2kk0 h GLN 111 Ca 0.01 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.32 2kk0 h GLN 111 Cb 0.35 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.75 2kk0 h GLN 111 CO 0.00 -0.14 0.63 -0.92 -0.95 0.00 0.00 178.83 177.46 2kk0 h TYR 112 N -0.21 1.14 0.00 2.96 5.03 -0.90 -0.15 116.97 124.84 2kk0 h TYR 112 Ca 0.01 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.33 2kk0 h TYR 112 Cb 0.22 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 38.13 2kk0 h TYR 112 CO -0.13 0.52 -0.14 1.98 -1.32 0.00 0.00 178.16 179.07 2kk0 h MET 113 N 1.06 0.00 0.00 1.82 4.05 -0.93 0.13 114.93 121.06 2kk0 h MET 113 Ca 0.46 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.87 2kk0 h MET 113 Cb 0.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2kk0 h MET 113 CO -0.21 0.14 -0.05 0.87 0.23 0.00 0.00 176.91 177.89 2kk0 h LYS 114 N 0.00 0.03 0.00 0.39 1.57 -0.13 -3.40 116.57 115.03 2kk0 h LYS 114 Ca -0.00 -0.04 -0.40 0.00 -1.87 0.00 0.00 60.65 58.34 2kk0 h LYS 114 Cb 0.48 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 2kk0 h LYS 114 CO 0.02 0.84 -2.32 0.66 -0.57 0.00 0.00 179.45 178.08 2kk0 n TYR 115 N -4.66 0.00 0.15 -1.35 4.01 -0.88 -4.76 117.16 109.66 2kk0 n TYR 115 Ca -0.10 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.75 2kk0 n TYR 115 Cb 0.42 -0.89 -0.12 0.00 -0.31 0.00 0.00 39.34 38.44 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 -4.19 0.28 -0.08 7.72 4.77 -0.27 -4.45 117.00 120.78 2kk0 n LEU 116 Ca -0.48 0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.44 2kk0 n LEU 116 Cb 0.83 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.89 2kk0 n LEU 116 CO 0.04 -0.01 0.69 0.22 -1.33 0.00 0.00 177.39 177.01 2kk0 h TYR 117 N 0.00 -0.65 0.00 -1.77 3.20 -1.26 -0.93 116.97 115.56 2kk0 h TYR 117 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2kk0 h TYR 117 Cb 0.93 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 2kk0 h TYR 117 CO 0.00 -0.32 -0.08 -1.35 -1.64 0.00 0.00 178.16 174.77 2kk0 h PRO 118 N -0.22 0.00 -0.00 1.82 0.11 -1.85 -2.77 132.00 129.09 2kk0 h PRO 118 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2kk0 h PRO 118 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2kk0 h PRO 118 CO -0.44 0.08 -0.04 -0.92 -0.21 0.00 0.00 178.00 176.46 2kk0 h TYR 119 N 0.00 0.05 -0.40 0.65 3.20 -1.43 -2.80 116.97 116.23 2kk0 h TYR 119 Ca -0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2kk0 h TYR 119 Cb 0.17 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2kk0 h TYR 119 CO 0.00 0.74 0.05 1.05 -1.64 0.00 0.00 178.16 178.37 2kk0 h GLU 120 N -0.66 0.62 0.06 1.82 4.11 -1.41 -0.15 114.58 118.97 2kk0 h GLU 120 Ca -0.00 -0.13 0.03 0.00 0.07 0.00 0.00 59.36 59.33 2kk0 h GLU 120 Cb 0.75 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2kk0 h GLU 120 CO 0.01 0.60 -0.29 0.00 0.07 0.00 0.00 179.01 179.41 2kk0 h GLU 122 N -0.47 0.00 -0.69 0.00 4.81 -1.39 -3.14 114.58 113.70 2kk0 h GLU 122 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2kk0 h GLU 122 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2kk0 h GLU 122 CO -0.20 0.19 0.00 1.63 -0.73 0.00 0.00 179.01 179.89 2kk0 n LYS 123 N -4.71 1.37 0.00 1.92 5.02 -0.08 -4.18 118.16 117.51 2kk0 n LYS 123 Ca -0.04 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 2kk0 n LYS 123 Cb 0.14 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2kk0 n LYS 123 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2kk0 n ARG 124 N -0.02 0.00 -2.11 1.97 3.00 -1.08 -4.95 116.66 113.46 2kk0 n ARG 124 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.83 2kk0 n ARG 124 Cb 0.27 -0.02 0.02 0.00 0.00 0.00 0.00 32.46 32.74 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 -1.34 0.15 0.10 5.14 0.00 0.11 -5.01 105.19 104.33 2kk0 n GLY 125 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.08 1.30 -3.86 0.99 4.77 -1.24 -5.03 117.00 111.85 2kk0 n LEU 126 Ca -0.02 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 2kk0 n LEU 126 Cb 0.54 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2kk0 n LEU 126 CO 0.21 0.51 0.30 -0.94 -1.33 0.00 0.00 177.39 176.14 2kk0 s SER 127 N -6.31 -0.21 0.08 -1.43 1.04 -1.26 -4.90 113.70 100.71 2kk0 s SER 127 Ca -0.09 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2kk0 s SER 127 Cb 0.08 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 2kk0 s SER 127 CO 0.81 -1.17 0.23 0.20 0.98 0.00 0.00 173.24 174.29 2kk0 s ASN 128 N -2.93 6.36 0.51 7.02 0.01 -1.26 -4.90 114.94 119.74 2kk0 s ASN 128 Ca 0.14 0.27 0.22 0.00 -0.71 0.00 0.00 52.86 52.79 2kk0 s ASN 128 Cb -0.02 -1.96 1.35 0.00 0.41 0.00 0.00 41.25 41.02 2kk0 s ASN 128 CO 0.04 0.14 2.08 1.55 -1.51 0.00 0.00 177.10 179.40 2kk0 h PRO 129 N 2.89 0.00 0.30 -0.60 0.13 -2.02 -2.75 132.00 129.95 2kk0 h PRO 129 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2kk0 h PRO 129 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kk0 h PRO 129 CO 0.74 0.11 -0.15 -0.91 -0.23 0.00 0.00 178.00 177.57 2kk0 h ASN 130 N 0.00 -0.35 -0.72 1.44 2.35 -2.02 -3.27 115.58 113.02 2kk0 h ASN 130 Ca -0.00 -0.10 0.16 0.00 -0.55 0.00 0.00 56.30 55.81 2kk0 h ASN 130 Cb 0.25 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 2kk0 h ASN 130 CO 0.01 0.13 0.49 1.05 -1.65 0.00 0.00 177.43 177.46 2kk0 h GLU 131 N -1.05 0.26 -0.68 0.81 4.11 -1.98 -0.43 114.58 115.62 2kk0 h GLU 131 Ca -0.04 -0.02 0.14 0.00 0.07 0.00 0.00 59.36 59.51 2kk0 h GLU 131 Cb 0.42 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 2kk0 h GLU 131 CO 0.07 0.17 0.17 1.25 0.07 0.00 0.00 179.01 180.74 2kk0 h LEU 132 N 0.27 0.05 -0.49 3.06 5.85 -1.54 -0.30 115.31 122.21 2kk0 h LEU 132 Ca 0.35 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.23 2kk0 h LEU 132 Cb 0.99 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2kk0 h LEU 132 CO -0.08 0.01 0.28 -0.61 -0.34 0.00 0.00 178.44 177.69 2kk0 h GLN 133 N 0.29 0.53 -0.78 1.25 5.75 -1.12 -1.40 115.11 119.63 2kk0 h GLN 133 Ca 0.37 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.79 2kk0 h GLN 133 Cb 0.58 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 2kk0 h GLN 133 CO -0.45 0.35 0.29 0.00 -2.65 0.00 0.00 178.83 176.38 2kk0 h ALA 134 N 1.24 1.02 -0.48 3.38 0.00 -1.41 -0.51 119.26 122.50 2kk0 h ALA 134 Ca 0.20 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2kk0 h ALA 134 Cb 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2kk0 h ALA 134 CO -0.11 0.67 0.25 0.00 0.00 0.00 0.00 179.25 180.06 2kk0 h ALA 135 N 1.15 0.62 -0.19 0.00 0.00 -0.46 -0.49 119.26 119.89 2kk0 h ALA 135 Ca 0.26 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2kk0 h ALA 135 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kk0 h ALA 135 CO -0.02 -0.09 -0.28 0.82 0.00 0.00 0.00 179.25 179.68 2kk0 h ILE 136 N 0.49 1.34 -0.47 0.00 2.04 -1.07 -3.17 117.51 116.67 2kk0 h ILE 136 Ca 0.21 -1.49 0.07 0.00 1.00 0.00 0.00 64.86 64.65 2kk0 h ILE 136 Cb 0.11 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 2kk0 h ILE 136 CO -0.14 0.45 0.14 0.44 0.00 0.00 0.00 178.15 179.04 2kk0 h ASP 137 N 0.18 0.10 -0.96 1.72 3.32 -0.93 -0.71 116.42 119.14 2kk0 h ASP 137 Ca 0.02 0.07 0.18 0.00 0.02 0.00 0.00 57.03 57.32 2kk0 h ASP 137 Cb 0.86 0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.39 2kk0 h ASP 137 CO 0.06 0.09 0.61 0.28 -1.72 0.00 0.00 179.24 178.56 2kk0 h SER 138 N 0.29 0.68 0.01 6.45 0.02 -1.06 -0.90 113.55 119.04 2kk0 h SER 138 Ca 0.23 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2kk0 h SER 138 Cb 0.27 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2kk0 h SER 138 CO -0.26 0.28 -0.27 0.78 -1.14 0.00 0.00 176.83 176.22 2kk0 h ASN 139 N 0.68 0.04 0.36 3.07 2.35 -1.36 -3.34 115.58 117.37 2kk0 h ASN 139 Ca 0.52 -0.92 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2kk0 h ASN 139 Cb 0.90 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 2kk0 h ASN 139 CO -0.28 1.11 -0.06 0.08 -1.65 0.00 0.00 177.43 176.63 2kk0 h ARG 140 N -0.95 0.00 0.00 0.81 0.11 -0.98 -1.83 114.38 111.54 2kk0 h ARG 140 Ca -0.07 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 2kk0 h ARG 140 Cb 1.10 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.18 2kk0 h ARG 140 CO -0.02 0.06 -0.09 -0.09 0.10 0.00 0.00 179.97 179.93 2kk0 h ARG 141 N 0.00 0.00 -6.53 0.08 2.43 -1.29 -3.46 114.38 105.62 2kk0 h ARG 141 Ca -0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 2kk0 h ARG 141 Cb 0.25 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2kk0 h ARG 141 CO 0.01 0.09 -0.05 -1.21 -1.51 0.00 0.00 179.97 177.29 2kk0 s GLU 142 N -3.67 3.86 0.00 0.20 2.02 -0.69 -4.78 118.70 115.64 2kk0 s GLU 142 Ca 0.01 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.39 2kk0 s GLU 142 Cb 0.09 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.75 2kk0 s GLU 142 CO 0.58 0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.53 2kk0 n GLY 143 N -0.24 0.31 0.00 -1.39 0.00 -1.26 -5.06 105.19 97.54 2kk0 n GLY 143 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2kk0 n GLY 143 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kk0 n ARG 144 N -1.17 -0.66 0.00 1.61 1.85 -1.26 -5.20 116.66 111.83 2kk0 n ARG 144 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 2kk0 n ARG 144 Cb 0.48 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.90 2kk0 n ARG 144 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16