#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kaz h GLU 14 N 0.00 0.40 -0.75 -1.46 4.11 -2.01 -2.14 114.58 112.73 3kaz h GLU 14 Ca 0.00 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 3kaz h GLU 14 Cb 0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3kaz h GLU 14 CO 0.00 0.57 0.40 1.96 0.07 0.00 0.00 179.01 182.01 3kaz h GLN 15 N 0.37 1.05 -0.65 1.06 7.50 -2.05 -1.07 115.11 121.31 3kaz h GLN 15 Ca 0.06 -0.13 -0.05 0.00 0.50 0.00 0.00 58.65 59.04 3kaz h GLN 15 Cb 0.53 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.82 3kaz h GLN 15 CO 0.03 0.79 0.22 0.87 -1.50 0.00 0.00 178.83 179.25 3kaz h LYS 16 N 1.04 0.98 -0.18 1.46 1.57 -1.94 -0.68 116.57 118.82 3kaz h LYS 16 Ca 0.26 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 3kaz h LYS 16 Cb 0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3kaz h LYS 16 CO -0.04 0.83 -0.51 1.15 -0.57 0.00 0.00 179.45 180.31 3kaz h THR 17 N 0.95 1.32 0.00 -0.16 2.02 -1.06 -3.28 112.91 112.70 3kaz h THR 17 Ca 0.22 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 3kaz h THR 17 Cb 0.24 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3kaz h THR 17 CO -0.01 0.54 -0.41 -0.07 0.37 0.00 0.00 175.52 175.94 3kaz h LEU 18 N 0.39 0.00 -0.33 2.58 3.38 -0.89 -3.36 115.31 117.08 3kaz h LEU 18 Ca 0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3kaz h LEU 18 Cb 1.03 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 3kaz h LEU 18 CO 0.09 0.11 -0.29 -0.33 0.09 0.00 0.00 178.44 178.11 3kaz h GLU 19 N 0.00 -0.25 0.00 1.13 4.39 -1.19 -0.19 114.58 118.48 3kaz h GLU 19 Ca -0.01 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 3kaz h GLU 19 Cb 1.09 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3kaz h GLU 19 CO 0.01 -0.16 -0.33 -1.00 -1.16 0.00 0.00 179.01 176.37 3kaz h PRO 20 N -0.26 0.00 0.10 2.33 0.13 -1.78 -1.27 132.00 131.26 3kaz h PRO 20 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3kaz h PRO 20 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3kaz h PRO 20 CO -0.47 0.33 -0.05 0.28 -0.23 0.00 0.00 178.00 177.86 3kaz h VAL 21 N 0.00 1.00 -0.28 1.56 2.07 -1.55 -1.13 116.25 117.92 3kaz h VAL 21 Ca -0.00 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3kaz h VAL 21 Cb 0.63 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3kaz h VAL 21 CO 0.04 0.09 0.03 0.40 0.02 0.00 0.00 177.57 178.16 3kaz h ILE 22 N -0.31 0.83 -0.17 4.57 2.04 -0.82 -0.99 117.51 122.66 3kaz h ILE 22 Ca -0.01 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3kaz h ILE 22 Cb 0.26 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3kaz h ILE 22 CO 0.02 0.02 0.05 0.11 0.00 0.00 0.00 178.15 178.35 3kaz h LYS 23 N 0.12 0.24 0.15 2.37 1.79 -1.18 -1.72 116.57 118.35 3kaz h LYS 23 Ca 0.13 -0.02 -0.30 0.00 -2.18 0.00 0.00 60.65 58.27 3kaz h LYS 23 Cb 0.16 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3kaz h LYS 23 CO -0.20 0.22 -1.51 1.15 -1.08 0.00 0.00 179.45 178.04 3kaz h THR 24 N 0.24 1.04 0.00 -0.16 2.02 -0.70 -3.42 112.91 111.93 3kaz h THR 24 Ca 0.06 -2.47 -0.04 0.00 0.77 0.00 0.00 66.41 64.74 3kaz h THR 24 Cb 0.09 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 3kaz h THR 24 CO -0.00 0.77 -1.33 -1.22 0.37 0.00 0.00 175.52 174.11 3kaz n TYR 25 N -3.80 0.00 -1.40 3.16 4.02 -0.42 -4.76 117.16 113.96 3kaz n TYR 25 Ca -0.24 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.65 3kaz n TYR 25 Cb 0.97 -0.20 0.20 0.00 -0.02 0.00 0.00 39.34 40.30 3kaz n TYR 25 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3kaz n HIS 26 N -1.89 0.82 -3.26 -0.72 8.25 -0.65 -4.89 115.22 112.88 3kaz n HIS 26 Ca -0.04 -1.46 -0.29 0.00 -0.26 0.00 0.00 57.72 55.67 3kaz n HIS 26 Cb 0.35 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 3kaz n HIS 26 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kaz s GLN 27 N -3.17 3.66 0.05 -0.41 -1.52 -1.23 -4.92 119.66 112.11 3kaz s GLN 27 Ca 0.42 0.09 0.02 0.00 -1.95 0.00 0.00 55.36 53.95 3kaz s GLN 27 Cb 0.38 -2.60 -0.03 0.00 -0.22 0.00 0.00 33.01 30.55 3kaz s GLN 27 CO -0.00 0.17 -0.08 -0.06 -0.25 0.00 0.00 175.29 175.08 3kaz s PHE 28 N -2.12 0.69 0.56 0.91 0.40 -1.26 -5.12 117.98 112.04 3kaz s PHE 28 Ca 0.45 -0.55 -0.18 0.00 -0.60 0.00 0.00 56.93 56.05 3kaz s PHE 28 Cb -0.11 -0.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.96 3kaz s PHE 28 CO 0.30 -0.09 1.07 -1.21 0.70 0.00 0.00 175.22 175.99 3kaz s GLU 29 N -1.87 3.41 0.29 0.44 0.41 -1.26 -4.97 118.70 115.16 3kaz s GLU 29 Ca -0.07 1.36 -0.29 0.00 -0.41 0.00 0.00 54.97 55.55 3kaz s GLU 29 Cb -0.08 -2.04 -0.10 0.00 -1.78 0.00 0.00 34.13 30.13 3kaz s GLU 29 CO -0.00 -0.76 1.37 -1.25 -0.49 0.00 0.00 175.26 174.13 3kaz s PRO 30 N -3.65 4.30 -0.30 0.39 0.04 -1.26 -5.00 135.00 129.52 3kaz s PRO 30 Ca 0.67 2.27 -0.06 0.00 0.04 0.00 0.00 61.00 63.91 3kaz s PRO 30 Cb -0.18 -3.09 0.16 0.00 0.04 0.00 0.00 34.50 31.43 3kaz s PRO 30 CO 0.30 -0.31 0.67 0.34 0.04 0.00 0.00 177.00 178.04 3kaz s ASP 31 N -0.05 -1.19 0.00 6.66 -1.08 -1.26 -5.04 116.67 114.71 3kaz s ASP 31 Ca 0.54 1.15 0.17 0.00 -0.52 0.00 0.00 52.55 53.89 3kaz s ASP 31 Cb -0.41 2.16 0.76 0.00 -1.46 0.00 0.00 42.92 43.98 3kaz s ASP 31 CO 0.49 -0.22 1.52 -0.81 0.52 0.00 0.00 175.17 176.67 3kaz n PRO 32 N 5.41 0.08 0.00 4.34 -0.04 -1.26 -2.39 135.00 141.15 3kaz n PRO 32 Ca -0.07 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 3kaz n PRO 32 Cb 0.50 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.83 3kaz n PRO 32 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kaz n THR 33 N -1.43 0.00 -4.44 0.52 -1.04 -1.26 -4.95 114.28 101.68 3kaz n THR 33 Ca 0.05 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.05 61.77 3kaz n THR 33 Cb 0.17 0.20 -0.09 0.00 -1.82 0.00 0.00 70.33 68.79 3kaz n THR 33 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3kaz s THR 34 N -2.76 2.54 -0.13 12.58 -4.23 -1.00 -1.38 115.64 121.25 3kaz s THR 34 Ca 0.18 -2.17 -0.02 0.00 -1.18 0.00 0.00 61.69 58.50 3kaz s THR 34 Cb 0.19 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 3kaz s THR 34 CO 0.60 -0.28 -0.07 0.00 -0.54 0.00 0.00 174.62 174.33 3kaz s THR 36 N 0.17 1.16 0.05 0.00 -4.23 -1.26 -1.15 115.64 110.38 3kaz s THR 36 Ca -0.04 -1.19 -0.27 0.00 -1.18 0.00 0.00 61.69 59.02 3kaz s THR 36 Cb -0.14 -1.08 0.07 0.00 1.34 0.00 0.00 72.50 72.69 3kaz s THR 36 CO 0.04 -0.11 0.65 -0.55 -0.54 0.00 0.00 174.62 174.11 3kaz s SER 37 N -1.48 -0.60 -0.15 3.99 0.15 -1.05 -5.00 113.70 109.56 3kaz s SER 37 Ca 0.00 0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.99 3kaz s SER 37 Cb -0.09 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 3kaz s SER 37 CO 0.02 -0.78 -0.18 -0.22 1.20 0.00 0.00 173.24 173.28 3kaz s LEU 38 N -2.01 2.35 -0.04 3.45 1.98 -1.26 -1.67 118.68 121.49 3kaz s LEU 38 Ca -0.04 -0.52 0.03 0.00 -2.89 0.00 0.00 54.13 50.71 3kaz s LEU 38 Cb -0.01 -1.52 -0.03 0.00 0.66 0.00 0.00 46.19 45.29 3kaz s LEU 38 CO -0.02 0.08 -0.12 -0.63 -1.89 0.00 0.00 176.35 173.77 3kaz s ILE 39 N 0.82 3.24 0.00 6.68 -1.09 0.15 -4.96 121.20 126.04 3kaz s ILE 39 Ca -0.06 -0.73 0.07 0.00 -2.23 0.00 0.00 60.65 57.70 3kaz s ILE 39 Cb -0.15 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.40 3kaz s ILE 39 CO -0.01 0.54 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.13 3kaz s THR 40 N -0.80 1.76 -0.06 2.92 2.01 -1.26 -0.57 115.64 119.63 3kaz s THR 40 Ca 0.13 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 3kaz s THR 40 Cb -0.11 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 70.96 3kaz s THR 40 CO 0.02 0.43 0.12 -1.58 -0.69 0.00 0.00 174.62 172.91 3kaz s GLN 41 N -0.71 0.01 -0.05 4.92 2.00 0.12 -5.00 119.66 120.95 3kaz s GLN 41 Ca 0.09 0.43 -0.20 0.00 -2.00 0.00 0.00 55.36 53.67 3kaz s GLN 41 Cb -0.09 -0.31 -0.05 0.00 0.80 0.00 0.00 33.01 33.37 3kaz s GLN 41 CO -0.00 -0.27 0.58 1.03 -0.50 0.00 0.00 175.29 176.13 3kaz s ARG 42 N 1.88 4.34 -0.10 1.67 0.52 -1.26 -0.81 118.95 125.19 3kaz s ARG 42 Ca -0.00 0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.90 3kaz s ARG 42 Cb -0.12 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3kaz s ARG 42 CO -0.05 0.25 -0.15 0.42 0.02 0.00 0.00 175.30 175.80 3kaz s ILE 43 N 0.23 1.45 -1.50 1.52 -1.09 0.51 -5.00 121.20 117.32 3kaz s ILE 43 Ca 0.31 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 58.00 3kaz s ILE 43 Cb -0.17 -1.32 0.01 0.00 -1.58 0.00 0.00 42.46 39.39 3kaz s ILE 43 CO 0.15 0.43 2.53 1.41 -1.23 0.00 0.00 174.94 178.24 3kaz n HIS 44 N 4.11 2.87 -3.74 3.97 8.25 -1.26 -0.46 115.22 128.96 3kaz n HIS 44 Ca -0.20 -2.99 -0.11 0.00 -0.26 0.00 0.00 57.72 54.17 3kaz n HIS 44 Cb 0.51 -2.38 -0.06 0.00 1.12 0.00 0.00 29.99 29.18 3kaz n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kaz s ALA 45 N 1.92 -0.67 0.57 -1.41 0.00 -1.26 -4.83 121.76 116.08 3kaz s ALA 45 Ca 0.57 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.20 3kaz s ALA 45 Cb 0.16 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3kaz s ALA 45 CO -0.07 -0.51 1.20 -2.14 0.00 0.00 0.00 175.76 174.25 3kaz s PRO 46 N -3.22 3.13 0.53 0.00 0.02 -1.26 -3.08 135.00 131.11 3kaz s PRO 46 Ca -0.00 1.82 0.18 0.00 0.02 0.00 0.00 61.00 63.01 3kaz s PRO 46 Cb 0.01 -2.01 1.33 0.00 0.02 0.00 0.00 34.50 33.85 3kaz s PRO 46 CO -0.08 -1.08 2.16 0.00 -0.33 0.00 0.00 177.00 177.67 3kaz h ALA 47 N 1.10 1.93 0.00 -1.55 0.00 -1.91 -1.24 119.26 117.58 3kaz h ALA 47 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kaz h ALA 47 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kaz h ALA 47 CO 0.56 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.69 3kaz n SER 48 N -4.44 0.32 -0.13 0.00 3.41 -1.26 -0.97 113.62 110.55 3kaz n SER 48 Ca -0.03 0.61 -0.21 0.00 -0.26 0.00 0.00 58.87 58.98 3kaz n SER 48 Cb 0.10 -0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 63.27 3kaz n SER 48 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kaz n VAL 49 N -1.89 1.51 -0.07 -3.33 0.31 -0.50 -4.54 118.33 109.82 3kaz n VAL 49 Ca 0.01 -0.52 -0.12 0.00 -0.01 0.00 0.00 64.34 63.70 3kaz n VAL 49 Cb 0.12 -1.55 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 3kaz n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kaz h VAL 50 N -0.26 1.27 -0.32 2.52 2.07 -1.31 -3.34 116.25 116.89 3kaz h VAL 50 Ca -0.60 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 65.98 3kaz h VAL 50 Cb 1.83 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 33.05 3kaz h VAL 50 CO -0.17 0.29 0.16 -0.25 0.02 0.00 0.00 177.57 177.62 3kaz h TRP 51 N 0.13 0.29 -0.70 1.57 2.91 -1.32 -2.69 115.95 116.15 3kaz h TRP 51 Ca 0.06 0.01 0.17 0.00 1.13 0.00 0.00 58.89 60.26 3kaz h TRP 51 Cb 0.45 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.98 3kaz h TRP 51 CO 0.04 0.16 0.48 -1.35 -1.03 0.00 0.00 178.44 176.74 3kaz h PRO 52 N 0.33 0.19 -0.75 2.65 0.11 -1.80 -0.13 132.00 132.59 3kaz h PRO 52 Ca 0.14 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3kaz h PRO 52 Cb 0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 3kaz h PRO 52 CO -0.10 0.12 0.33 -0.07 -0.21 0.00 0.00 178.00 178.08 3kaz h LEU 53 N 0.19 1.00 0.06 2.35 -0.00 -1.61 -2.51 115.31 114.78 3kaz h LEU 53 Ca 0.34 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.88 57.92 3kaz h LEU 53 Cb 1.06 -0.26 0.02 0.00 -0.00 0.00 0.00 40.66 41.48 3kaz h LEU 53 CO -0.06 0.86 -0.70 0.40 -0.00 0.00 0.00 178.44 178.94 3kaz h ILE 54 N 1.08 1.45 0.00 1.22 1.08 -1.10 -3.32 117.51 117.92 3kaz h ILE 54 Ca 0.26 -2.26 -0.00 0.00 -0.39 0.00 0.00 64.86 62.46 3kaz h ILE 54 Cb 0.15 2.82 -0.00 0.00 -3.07 0.00 0.00 36.82 36.72 3kaz h ILE 54 CO -0.03 0.65 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.98 3kaz h ARG 55 N -0.19 0.00 -5.72 2.37 9.65 -1.16 -3.36 114.38 115.96 3kaz h ARG 55 Ca -0.10 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.23 3kaz h ARG 55 Cb 1.45 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.97 3kaz h ARG 55 CO 0.14 0.01 1.75 0.50 2.80 0.00 0.00 179.97 185.17 3kaz s ARG 56 N -3.50 3.41 0.49 0.20 6.06 -0.95 -4.81 118.95 119.85 3kaz s ARG 56 Ca 0.03 -1.65 0.19 0.00 -2.50 0.00 0.00 55.73 51.80 3kaz s ARG 56 Cb 0.08 -5.42 1.22 0.00 0.06 0.00 0.00 34.95 30.89 3kaz s ARG 56 CO 0.59 -2.91 2.02 0.35 -2.50 0.00 0.00 175.30 172.85 3kaz h PHE 57 N 8.48 0.18 0.00 5.12 3.57 -1.83 -1.87 116.94 130.59 3kaz h PHE 57 Ca 0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 3kaz h PHE 57 Cb 0.90 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.58 3kaz h PHE 57 CO 1.34 0.09 0.00 -3.47 -2.23 0.00 0.00 178.31 174.04 3kaz n ASP 58 N -4.44 0.70 -2.70 0.41 2.03 -1.26 -4.19 116.55 107.10 3kaz n ASP 58 Ca 0.08 0.69 -0.18 0.00 0.52 0.00 0.00 54.79 55.90 3kaz n ASP 58 Cb 0.42 -0.83 0.01 0.00 -0.72 0.00 0.00 41.12 39.99 3kaz n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3kaz n ASN 59 N -2.29 2.71 0.21 1.67 5.15 -0.70 -4.57 115.26 117.44 3kaz n ASN 59 Ca 0.02 -3.17 0.15 0.00 -0.60 0.00 0.00 54.58 50.97 3kaz n ASN 59 Cb 0.21 -0.52 0.63 0.00 -0.53 0.00 0.00 39.78 39.56 3kaz n ASN 59 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3kaz h PRO 60 N 2.86 0.00 -0.19 1.20 0.13 -1.74 -2.86 132.00 131.41 3kaz h PRO 60 Ca 0.08 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.26 3kaz h PRO 60 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3kaz h PRO 60 CO 0.64 0.00 0.26 1.05 -0.23 0.00 0.00 178.00 179.72 3kaz h GLU 61 N 0.00 0.00 0.00 0.86 9.09 -1.89 0.23 114.58 122.86 3kaz h GLU 61 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kaz h GLU 61 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3kaz h GLU 61 CO 0.00 0.00 0.00 -0.09 0.05 0.00 0.00 179.01 178.97 3kaz h ARG 62 N 0.00 0.00 0.00 1.06 2.43 -1.90 -3.25 114.38 112.72 3kaz h ARG 62 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3kaz h ARG 62 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3kaz h ARG 62 CO -0.00 0.00 0.00 2.48 -1.51 0.00 0.00 179.97 180.94 3kaz n TYR 63 N -2.93 0.00 -5.00 2.20 0.18 -0.63 -4.79 117.16 106.19 3kaz n TYR 63 Ca 0.03 -0.08 -0.31 0.00 1.88 0.00 0.00 57.90 59.41 3kaz n TYR 63 Cb 0.40 -0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.20 3kaz n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kaz s LYS 64 N -0.17 2.12 0.63 -3.48 1.02 0.71 -4.00 119.74 116.57 3kaz s LYS 64 Ca 0.00 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 54.94 3kaz s LYS 64 Cb 0.00 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 3kaz s LYS 64 CO 0.00 0.56 1.04 -1.01 -0.92 0.00 0.00 175.35 175.02 3kaz s HIS 65 N -0.74 3.36 -0.62 3.18 3.76 -1.26 -4.34 115.29 118.62 3kaz s HIS 65 Ca 0.12 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 3kaz s HIS 65 Cb -0.10 -2.81 0.00 0.00 1.11 0.00 0.00 32.58 30.77 3kaz s HIS 65 CO 0.01 -0.88 0.00 1.19 -0.85 0.00 0.00 174.74 174.21 3kaz n PHE 66 N -2.67 0.00 -3.54 1.40 3.01 -1.26 -4.98 117.46 109.42 3kaz n PHE 66 Ca 0.07 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.12 3kaz n PHE 66 Cb 0.54 -1.48 -0.11 0.00 -0.01 0.00 0.00 39.48 38.42 3kaz n PHE 66 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kaz s VAL 67 N -2.06 5.11 -0.09 -4.37 1.01 -1.26 -0.50 120.40 118.23 3kaz s VAL 67 Ca 0.00 -0.41 0.14 0.00 0.00 0.00 0.00 61.98 61.72 3kaz s VAL 67 Cb 0.00 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 3kaz s VAL 67 CO 0.00 -0.08 1.03 0.07 0.00 0.00 0.00 175.10 176.12 3kaz h LYS 68 N 8.49 0.00 -2.25 2.72 2.10 -0.95 -3.48 116.57 123.20 3kaz h LYS 68 Ca -0.30 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.34 3kaz h LYS 68 Cb 1.14 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.30 3kaz h LYS 68 CO 0.66 0.46 0.27 0.50 -2.00 0.00 0.00 179.45 179.34 3kaz s ARG 69 N -2.87 1.04 -0.12 0.07 3.52 -1.17 -5.00 118.95 114.42 3kaz s ARG 69 Ca -0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 55.73 55.51 3kaz s ARG 69 Cb 0.08 0.48 0.05 0.00 -1.56 0.00 0.00 34.95 34.00 3kaz s ARG 69 CO 0.80 -0.38 0.28 0.00 -0.81 0.00 0.00 175.30 175.19 3kaz s ARG 71 N 1.13 0.68 0.02 0.00 1.70 -0.90 -4.91 118.95 116.67 3kaz s ARG 71 Ca -0.08 -0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 53.97 3kaz s ARG 71 Cb -0.09 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 3kaz s ARG 71 CO -0.08 -0.18 1.08 -0.51 -1.08 0.00 0.00 175.30 174.53 3kaz s LEU 72 N -2.52 4.36 0.00 -1.89 1.02 -1.26 -0.26 118.68 118.14 3kaz s LEU 72 Ca 0.01 1.81 0.18 0.00 0.02 0.00 0.00 54.13 56.14 3kaz s LEU 72 Cb 0.03 -3.57 -0.11 0.00 0.02 0.00 0.00 46.19 42.55 3kaz s LEU 72 CO -0.08 -0.37 0.81 -0.38 0.02 0.00 0.00 176.35 176.36 3kaz n ILE 73 N 3.96 0.00 -3.58 -0.59 5.41 0.55 -4.91 119.36 120.19 3kaz n ILE 73 Ca 0.07 -0.18 -0.15 0.00 1.00 0.00 0.00 62.75 63.49 3kaz n ILE 73 Cb 0.49 1.09 -0.06 0.00 -0.71 0.00 0.00 39.64 40.44 3kaz n ILE 73 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3kaz s SER 74 N -2.41 -0.66 0.00 4.38 0.15 -1.11 -4.96 113.70 109.09 3kaz s SER 74 Ca 0.10 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.77 3kaz s SER 74 Cb 0.14 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 3kaz s SER 74 CO 0.61 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.25 3kaz n GLY 75 N 1.75 -1.15 0.00 9.45 0.00 -1.26 -1.59 105.19 112.40 3kaz n GLY 75 Ca -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3kaz n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kaz n ASP 76 N -1.00 1.08 0.00 1.61 8.00 -1.26 -4.92 116.55 120.06 3kaz n ASP 76 Ca 0.00 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3kaz n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3kaz n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kaz n GLY 77 N -0.24 0.31 2.93 0.44 0.00 -1.26 -5.04 105.19 102.32 3kaz n GLY 77 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3kaz n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kaz n ASP 78 N 0.00 1.75 -4.71 1.61 8.00 -1.26 -4.66 116.55 117.28 3kaz n ASP 78 Ca 0.00 -2.22 -0.40 0.00 0.71 0.00 0.00 54.79 52.89 3kaz n ASP 78 Cb 0.00 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 40.87 3kaz n ASP 78 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kaz n VAL 79 N -1.85 3.04 0.00 2.53 0.31 -1.26 -1.68 118.33 119.42 3kaz n VAL 79 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3kaz n VAL 79 Cb 0.46 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3kaz n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kaz n GLY 80 N 0.81 2.94 3.74 2.92 0.00 0.94 -5.03 105.19 111.52 3kaz n GLY 80 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3kaz n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kaz s SER 81 N -1.35 5.04 -0.11 1.61 0.01 -0.68 -4.72 113.70 113.51 3kaz s SER 81 Ca 0.00 2.70 0.02 0.00 1.31 0.00 0.00 55.95 59.98 3kaz s SER 81 Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.62 3kaz s SER 81 CO 0.00 -1.72 -0.16 -0.69 0.41 0.00 0.00 173.24 171.08 3kaz s VAL 82 N -1.35 1.56 0.13 3.43 1.01 -0.62 -0.97 120.40 123.60 3kaz s VAL 82 Ca 0.76 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3kaz s VAL 82 Cb -0.39 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3kaz s VAL 82 CO 0.44 0.45 -0.01 0.00 0.00 0.00 0.00 175.10 175.99 3kaz s ARG 83 N 0.94 2.45 -0.23 2.72 1.70 0.64 -0.33 118.95 126.83 3kaz s ARG 83 Ca -0.07 -0.97 -0.04 0.00 -0.47 0.00 0.00 55.73 54.18 3kaz s ARG 83 Cb -0.15 -2.44 0.00 0.00 -0.57 0.00 0.00 34.95 31.79 3kaz s ARG 83 CO -0.01 0.50 -0.04 -2.00 -1.08 0.00 0.00 175.30 172.67 3kaz s GLU 84 N -2.58 3.22 -0.14 3.89 2.12 0.64 -0.34 118.70 125.51 3kaz s GLU 84 Ca 0.26 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 3kaz s GLU 84 Cb -0.11 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 3kaz s GLU 84 CO 0.18 -0.27 -0.05 0.08 -0.54 0.00 0.00 175.26 174.66 3kaz s VAL 85 N 1.44 3.75 -0.18 3.70 1.01 0.56 -2.12 120.40 128.57 3kaz s VAL 85 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3kaz s VAL 85 Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3kaz s VAL 85 CO -0.03 0.51 -0.05 0.28 0.00 0.00 0.00 175.10 175.81 3kaz s THR 86 N 0.26 3.60 0.08 3.92 -1.32 0.27 -1.25 115.64 121.20 3kaz s THR 86 Ca -0.04 -0.44 0.08 0.00 -1.21 0.00 0.00 61.69 60.07 3kaz s THR 86 Cb -0.14 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.22 3kaz s THR 86 CO 0.03 0.47 -0.16 0.54 -2.21 0.00 0.00 174.62 173.29 3kaz s VAL 87 N 0.79 2.97 0.21 5.08 0.11 -0.17 -0.24 120.40 129.15 3kaz s VAL 87 Ca -0.02 -1.31 0.08 0.00 -2.93 0.00 0.00 61.98 57.80 3kaz s VAL 87 Cb -0.15 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.34 3kaz s VAL 87 CO 0.02 0.20 0.01 0.27 -3.33 0.00 0.00 175.10 172.26 3kaz s ILE 88 N -1.07 3.65 0.00 7.04 -4.36 0.34 -1.34 121.20 125.45 3kaz s ILE 88 Ca 0.17 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3kaz s ILE 88 Cb -0.11 -2.88 0.00 0.00 1.25 0.00 0.00 42.46 40.72 3kaz s ILE 88 CO 0.09 -0.22 0.00 -1.54 0.24 0.00 0.00 174.94 173.51 3kaz n SER 89 N -0.44 0.00 0.22 4.36 3.41 -1.26 -4.83 113.62 115.07 3kaz n SER 89 Ca -0.09 -0.10 0.06 0.00 -0.26 0.00 0.00 58.87 58.49 3kaz n SER 89 Cb 0.57 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.03 3kaz n SER 89 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kaz h GLY 90 N 0.00 0.00 -1.47 5.00 0.00 -2.04 -3.44 103.07 101.12 3kaz h GLY 90 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 3kaz h GLY 90 CO 0.00 0.00 0.19 1.08 0.00 0.00 0.00 176.54 177.81 3kaz s LEU 91 N -8.15 3.14 0.81 3.11 1.43 -1.26 -5.05 118.68 112.71 3kaz s LEU 91 Ca -0.03 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 3kaz s LEU 91 Cb 0.15 -3.47 0.08 0.00 0.03 0.00 0.00 46.19 42.98 3kaz s LEU 91 CO 0.68 -1.18 1.17 -2.84 0.23 0.00 0.00 176.35 174.41 3kaz s PRO 92 N -5.05 1.70 0.27 1.29 0.02 -1.26 -4.86 135.00 127.10 3kaz s PRO 92 Ca 0.55 1.61 -0.30 0.00 0.02 0.00 0.00 61.00 62.88 3kaz s PRO 92 Cb -0.11 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 3kaz s PRO 92 CO 0.45 -2.14 1.32 0.00 -0.33 0.00 0.00 177.00 176.30 3kaz n ALA 93 N -3.42 0.93 -2.44 -1.55 0.00 -1.26 -4.74 120.51 108.02 3kaz n ALA 93 Ca 0.12 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.70 3kaz n ALA 93 Cb 0.51 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 17.62 3kaz n ALA 93 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kaz s SER 94 N 0.01 3.53 -0.07 0.00 0.01 -0.45 -4.94 113.70 111.79 3kaz s SER 94 Ca 0.64 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 57.06 3kaz s SER 94 Cb -0.64 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.29 3kaz s SER 94 CO 0.54 0.10 -0.19 0.28 0.41 0.00 0.00 173.24 174.39 3kaz s THR 95 N -1.83 1.64 0.05 1.44 -1.32 -1.26 -1.00 115.64 113.36 3kaz s THR 95 Ca 0.23 -0.79 0.04 0.00 -1.21 0.00 0.00 61.69 59.95 3kaz s THR 95 Cb -0.07 -1.42 -0.02 0.00 -1.51 0.00 0.00 72.50 69.47 3kaz s THR 95 CO 0.11 0.47 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.94 3kaz s SER 96 N 0.30 1.26 -0.11 8.08 1.04 -0.38 -3.52 113.70 120.37 3kaz s SER 96 Ca -0.12 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.78 3kaz s SER 96 Cb -0.15 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 3kaz s SER 96 CO 0.05 -0.11 -0.12 0.42 0.98 0.00 0.00 173.24 174.47 3kaz s THR 97 N -1.18 3.18 -0.01 2.02 -4.23 -0.01 -0.32 115.64 115.07 3kaz s THR 97 Ca -0.05 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 59.88 3kaz s THR 97 Cb -0.09 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 3kaz s THR 97 CO 0.01 0.54 -0.18 -1.61 -0.54 0.00 0.00 174.62 172.85 3kaz s GLU 98 N -0.02 1.48 -0.09 3.99 2.02 0.53 -0.09 118.70 126.51 3kaz s GLU 98 Ca -0.03 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.33 3kaz s GLU 98 Cb -0.14 -1.42 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 3kaz s GLU 98 CO 0.04 0.39 -0.13 0.50 0.02 0.00 0.00 175.26 176.08 3kaz s ARG 99 N -0.41 2.95 -0.26 1.61 3.52 0.25 -0.26 118.95 126.35 3kaz s ARG 99 Ca 0.07 -0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 54.71 3kaz s ARG 99 Cb -0.07 -2.53 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 3kaz s ARG 99 CO -0.01 0.44 1.04 -1.17 -0.81 0.00 0.00 175.30 174.79 3kaz s LEU 100 N -0.23 4.05 -0.17 -0.88 2.96 -0.14 -1.70 118.68 122.57 3kaz s LEU 100 Ca 0.01 1.27 0.14 0.00 -0.22 0.00 0.00 54.13 55.33 3kaz s LEU 100 Cb -0.13 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.83 3kaz s LEU 100 CO 0.03 -0.73 0.03 -0.62 -1.32 0.00 0.00 176.35 173.74 3kaz n GLU 101 N 6.47 1.15 -3.64 1.98 -0.58 -0.09 -0.04 120.64 125.90 3kaz n GLU 101 Ca 0.12 0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.78 3kaz n GLU 101 Cb 0.46 -1.44 -0.07 0.00 -0.57 0.00 0.00 31.44 29.83 3kaz n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3kaz s PHE 102 N -2.41 -0.80 -0.03 -0.32 5.36 -1.17 -4.82 117.98 113.78 3kaz s PHE 102 Ca -0.11 1.72 -0.00 0.00 -0.96 0.00 0.00 56.93 57.58 3kaz s PHE 102 Cb 0.05 0.44 0.03 0.00 -0.34 0.00 0.00 43.02 43.21 3kaz s PHE 102 CO 0.68 -0.39 0.05 0.14 -1.46 0.00 0.00 175.22 174.23 3kaz s VAL 103 N 1.05 -0.06 -0.27 3.12 -7.23 -1.26 -0.96 120.40 114.78 3kaz s VAL 103 Ca -0.05 0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.36 3kaz s VAL 103 Cb -0.05 -0.11 0.07 0.00 0.56 0.00 0.00 36.38 36.86 3kaz s VAL 103 CO -0.12 0.09 -0.04 -0.62 -0.31 0.00 0.00 175.10 174.10 3kaz s ASP 104 N 1.13 4.27 0.47 4.85 -1.08 0.36 -4.99 116.67 121.68 3kaz s ASP 104 Ca -0.09 -1.49 0.27 0.00 -0.52 0.00 0.00 52.55 50.72 3kaz s ASP 104 Cb -0.13 -1.38 1.04 0.00 -1.46 0.00 0.00 42.92 40.98 3kaz s ASP 104 CO -0.03 -0.26 1.87 0.44 0.52 0.00 0.00 175.17 177.70 3kaz h ASP 105 N 7.83 0.00 -0.00 -0.34 3.32 -1.97 0.99 116.42 126.25 3kaz h ASP 105 Ca -0.15 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3kaz h ASP 105 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3kaz h ASP 105 CO 0.46 0.15 -0.15 0.44 -1.72 0.00 0.00 179.24 178.41 3kaz h ASP 106 N 0.00 0.14 0.38 6.45 5.19 -1.96 -3.33 116.42 123.29 3kaz h ASP 106 Ca -0.00 -0.78 0.00 0.00 -0.62 0.00 0.00 57.03 55.63 3kaz h ASP 106 Cb 0.68 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.15 3kaz h ASP 106 CO 0.02 0.90 -0.29 1.41 -3.12 0.00 0.00 179.24 178.16 3kaz n HIS 107 N -4.59 0.00 -3.33 4.55 8.25 -1.22 -4.99 115.22 113.90 3kaz n HIS 107 Ca -0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.21 3kaz n HIS 107 Cb 0.46 -0.19 0.04 0.00 1.12 0.00 0.00 29.99 31.42 3kaz n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kaz n ARG 108 N -1.00 -1.73 -4.67 -0.41 1.74 0.26 -4.40 116.66 106.45 3kaz n ARG 108 Ca 0.10 0.92 -0.24 0.00 -0.77 0.00 0.00 57.85 57.87 3kaz n ARG 108 Cb 0.33 -5.22 -0.16 0.00 -1.02 0.00 0.00 32.46 26.39 3kaz n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kaz s VAL 109 N -3.29 1.19 -0.02 1.55 1.01 -0.68 -0.75 120.40 119.42 3kaz s VAL 109 Ca 0.33 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3kaz s VAL 109 Cb -0.07 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3kaz s VAL 109 CO 0.78 0.35 -0.07 -0.22 0.00 0.00 0.00 175.10 175.94 3kaz s LEU 110 N 0.10 1.84 -0.02 3.92 0.20 -0.45 -0.48 118.68 123.78 3kaz s LEU 110 Ca -0.03 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.69 3kaz s LEU 110 Cb -0.10 -0.41 -0.01 0.00 -0.43 0.00 0.00 46.19 45.24 3kaz s LEU 110 CO 0.01 0.05 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.42 3kaz s SER 111 N 0.11 1.90 0.10 3.68 0.15 -0.14 -0.87 113.70 118.63 3kaz s SER 111 Ca -0.01 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 3kaz s SER 111 Cb -0.06 -0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 3kaz s SER 111 CO -0.00 0.17 0.03 0.72 1.20 0.00 0.00 173.24 175.35 3kaz s PHE 112 N -0.17 0.73 0.00 3.44 -0.12 -0.35 -0.91 117.98 120.60 3kaz s PHE 112 Ca 0.02 -1.17 -0.06 0.00 -0.05 0.00 0.00 56.93 55.66 3kaz s PHE 112 Cb -0.08 -0.44 0.00 0.00 -0.63 0.00 0.00 43.02 41.86 3kaz s PHE 112 CO 0.00 -0.47 0.12 -0.98 -0.05 0.00 0.00 175.22 173.85 3kaz s ARG 113 N -4.00 0.45 -0.04 1.99 1.70 -0.69 -1.10 118.95 117.26 3kaz s ARG 113 Ca 0.18 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 54.75 3kaz s ARG 113 Cb 0.08 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 3kaz s ARG 113 CO -0.03 -0.10 1.13 0.08 -1.08 0.00 0.00 175.30 175.31 3kaz s VAL 114 N -1.30 4.39 -0.19 4.99 1.01 -0.09 -0.58 120.40 128.63 3kaz s VAL 114 Ca -0.14 1.71 0.04 0.00 0.00 0.00 0.00 61.98 63.59 3kaz s VAL 114 Cb -0.07 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 3kaz s VAL 114 CO 0.01 0.04 -0.12 0.52 0.00 0.00 0.00 175.10 175.55 3kaz n VAL 115 N 4.38 1.13 -4.07 2.92 0.31 0.87 -4.70 118.33 119.17 3kaz n VAL 115 Ca 0.10 -0.49 -0.12 0.00 -0.01 0.00 0.00 64.34 63.82 3kaz n VAL 115 Cb 0.47 -1.07 -0.06 0.00 -0.91 0.00 0.00 33.84 32.28 3kaz n VAL 115 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kaz s GLY 116 N -5.71 1.09 0.00 2.92 0.00 -1.16 -4.99 107.32 99.47 3kaz s GLY 116 Ca -0.23 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3kaz s GLY 116 CO 0.50 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 173.29 3kaz n GLY 117 N -0.44 2.09 3.63 0.20 0.00 -1.26 -0.83 105.19 108.58 3kaz n GLY 117 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 3kaz n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kaz n GLU 118 N 0.00 1.00 0.00 1.61 4.07 -1.23 -4.73 120.64 121.36 3kaz n GLU 118 Ca 0.00 0.38 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 3kaz n GLU 118 Cb 0.00 -2.21 0.00 0.00 -0.06 0.00 0.00 31.44 29.17 3kaz n GLU 118 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3kaz n HIS 119 N -1.59 0.00 -0.13 4.31 8.25 -1.26 -4.85 115.22 119.95 3kaz n HIS 119 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.49 3kaz n HIS 119 Cb 0.46 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 3kaz n HIS 119 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kaz h ARG 120 N 0.00 0.60 -5.26 -0.41 3.08 -2.01 -3.38 114.38 107.00 3kaz h ARG 120 Ca 0.00 -0.15 -0.65 0.00 0.07 0.00 0.00 59.98 59.25 3kaz h ARG 120 Cb 0.00 -0.08 -0.16 0.00 0.08 0.00 0.00 29.97 29.82 3kaz h ARG 120 CO 0.00 0.64 0.51 -0.51 -1.07 0.00 0.00 179.97 179.55 3kaz s LEU 121 N -9.62 4.64 0.37 3.04 1.43 -1.26 -4.60 118.68 112.69 3kaz s LEU 121 Ca -0.13 -1.21 0.08 0.00 -1.03 0.00 0.00 54.13 51.84 3kaz s LEU 121 Cb 0.09 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3kaz s LEU 121 CO 0.76 -1.34 0.20 -0.75 0.23 0.00 0.00 176.35 175.45 3kaz s LYS 122 N 3.65 2.38 -1.47 1.70 2.47 -1.26 -4.57 119.74 122.64 3kaz s LYS 122 Ca 0.22 -1.60 -0.07 0.00 -1.56 0.00 0.00 55.97 52.95 3kaz s LYS 122 Cb -0.16 -2.18 0.03 0.00 -1.46 0.00 0.00 37.83 34.06 3kaz s LYS 122 CO 0.07 0.01 0.69 0.09 0.16 0.00 0.00 175.35 176.37 3kaz n ASN 123 N -1.24 -5.46 -4.72 1.43 4.13 -1.26 -0.89 115.26 107.25 3kaz n ASN 123 Ca -0.02 -0.39 -0.42 0.00 1.68 0.00 0.00 54.58 55.44 3kaz n ASN 123 Cb 0.62 -4.40 -0.03 0.00 -1.54 0.00 0.00 39.78 34.43 3kaz n ASN 123 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3kaz s TYR 124 N -3.15 3.13 -0.04 3.10 5.04 -1.26 -4.43 117.35 119.76 3kaz s TYR 124 Ca 0.40 0.84 -0.08 0.00 -2.44 0.00 0.00 57.07 55.79 3kaz s TYR 124 Cb -0.19 -3.80 0.01 0.00 0.35 0.00 0.00 41.96 38.33 3kaz s TYR 124 CO 0.49 -2.84 0.19 0.21 -1.34 0.00 0.00 175.55 172.26 3kaz s LYS 125 N 0.83 0.40 0.03 4.97 2.20 -0.78 -0.91 119.74 126.47 3kaz s LYS 125 Ca 0.66 -0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 56.13 3kaz s LYS 125 Cb -0.41 0.18 -0.00 0.00 -1.51 0.00 0.00 37.83 36.09 3kaz s LYS 125 CO 0.33 -0.08 0.14 -1.54 -0.36 0.00 0.00 175.35 173.84 3kaz s SER 126 N -0.70 0.08 -0.10 1.43 1.04 -0.26 -1.16 113.70 114.03 3kaz s SER 126 Ca -0.08 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.00 3kaz s SER 126 Cb -0.05 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.33 3kaz s SER 126 CO 0.01 -0.48 -0.13 -0.69 0.98 0.00 0.00 173.24 172.94 3kaz s VAL 127 N -2.18 1.31 -0.12 5.02 1.01 -0.48 -1.22 120.40 123.75 3kaz s VAL 127 Ca -0.08 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3kaz s VAL 127 Cb -0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3kaz s VAL 127 CO -0.02 0.40 -0.18 -0.89 0.00 0.00 0.00 175.10 174.41 3kaz s THR 128 N 1.03 2.62 0.11 3.92 2.01 -0.05 -1.02 115.64 124.26 3kaz s THR 128 Ca -0.07 -0.82 0.10 0.00 0.31 0.00 0.00 61.69 61.22 3kaz s THR 128 Cb -0.15 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 3kaz s THR 128 CO -0.01 0.54 -0.26 -0.94 -0.69 0.00 0.00 174.62 173.26 3kaz s SER 129 N 0.35 3.35 -0.16 3.53 1.04 0.56 -1.33 113.70 121.03 3kaz s SER 129 Ca -0.14 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.60 3kaz s SER 129 Cb -0.17 -0.27 0.02 0.00 0.10 0.00 0.00 66.02 65.71 3kaz s SER 129 CO 0.07 0.20 -0.17 0.68 0.98 0.00 0.00 173.24 175.00 3kaz s VAL 130 N -1.02 1.80 -0.12 5.02 -7.23 0.07 -1.77 120.40 117.15 3kaz s VAL 130 Ca 0.14 -0.79 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 3kaz s VAL 130 Cb -0.10 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.19 3kaz s VAL 130 CO 0.06 0.48 -0.18 0.20 -0.31 0.00 0.00 175.10 175.35 3kaz s ASN 131 N 1.39 2.71 -0.04 4.85 -0.87 -0.75 -4.64 114.94 117.59 3kaz s ASN 131 Ca 0.05 -0.50 -0.05 0.00 -1.57 0.00 0.00 52.86 50.79 3kaz s ASN 131 Cb -0.13 -1.23 -0.04 0.00 -0.02 0.00 0.00 41.25 39.83 3kaz s ASN 131 CO -0.12 0.04 0.20 -0.70 -2.57 0.00 0.00 177.10 173.95 3kaz s GLU 132 N 0.94 3.48 0.13 -0.60 2.12 -1.26 -0.70 118.70 122.81 3kaz s GLU 132 Ca -0.06 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 3kaz s GLU 132 Cb -0.15 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 3kaz s GLU 132 CO -0.02 0.70 0.05 -0.06 -0.54 0.00 0.00 175.26 175.39 3kaz s PHE 133 N -1.23 0.87 -0.05 5.30 0.08 0.98 -4.98 117.98 118.95 3kaz s PHE 133 Ca 0.24 -1.22 0.06 0.00 0.12 0.00 0.00 56.93 56.12 3kaz s PHE 133 Cb -0.13 -0.49 -0.02 0.00 -0.57 0.00 0.00 43.02 41.82 3kaz s PHE 133 CO 0.14 -0.51 -0.22 -1.17 -0.10 0.00 0.00 175.22 173.36 3kaz s LEU 134 N -3.05 2.24 -0.22 -0.37 0.20 -1.26 -0.42 118.68 115.80 3kaz s LEU 134 Ca 0.24 -0.42 -0.23 0.00 0.69 0.00 0.00 54.13 54.41 3kaz s LEU 134 Cb 0.07 -1.42 -0.02 0.00 -0.43 0.00 0.00 46.19 44.40 3kaz s LEU 134 CO 0.02 0.28 0.73 0.21 -0.29 0.00 0.00 176.35 177.30 3kaz s ASN 135 N -0.38 6.76 0.26 3.68 3.84 0.77 -4.95 114.94 124.93 3kaz s ASN 135 Ca 0.03 0.93 0.22 0.00 0.21 0.00 0.00 52.86 54.25 3kaz s ASN 135 Cb -0.12 -2.39 0.08 0.00 -0.55 0.00 0.00 41.25 38.27 3kaz s ASN 135 CO 0.02 -0.39 1.20 0.06 -2.79 0.00 0.00 177.10 175.19 3kaz h GLN 136 N 7.60 0.00 0.08 0.43 -0.00 -1.93 0.41 115.11 121.71 3kaz h GLN 136 Ca -0.27 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.09 3kaz h GLN 136 Cb 1.12 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.58 3kaz h GLN 136 CO 0.82 0.04 -1.47 -0.44 -0.00 0.00 0.00 178.83 177.77 3kaz h ASP 137 N 0.00 0.27 -0.09 0.06 3.32 -1.98 -3.37 116.42 114.63 3kaz h ASP 137 Ca -0.01 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3kaz h ASP 137 Cb 1.05 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3kaz h ASP 137 CO 0.01 1.31 0.00 -0.24 -1.72 0.00 0.00 179.24 178.60 3kaz n SER 138 N -3.37 2.28 0.00 6.45 2.88 -1.25 -5.01 113.62 115.60 3kaz n SER 138 Ca -0.14 -1.63 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 3kaz n SER 138 Cb 1.03 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 3kaz n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kaz n GLY 139 N 0.74 0.96 3.95 0.46 0.00 0.13 -4.95 105.19 106.48 3kaz n GLY 139 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3kaz n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kaz s LYS 140 N 0.00 3.47 0.21 1.61 -0.14 -1.21 -4.76 119.74 118.92 3kaz s LYS 140 Ca 0.00 -0.51 -0.12 0.00 -1.36 0.00 0.00 55.97 53.98 3kaz s LYS 140 Cb 0.00 -2.81 -0.07 0.00 -1.68 0.00 0.00 37.83 33.27 3kaz s LYS 140 CO 0.00 0.34 0.58 0.08 -0.76 0.00 0.00 175.35 175.58 3kaz s VAL 141 N -2.05 4.87 0.21 3.17 1.01 -1.26 -0.16 120.40 126.19 3kaz s VAL 141 Ca 0.37 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.89 3kaz s VAL 141 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3kaz s VAL 141 CO 0.31 0.03 0.45 -0.72 0.00 0.00 0.00 175.10 175.17 3kaz s TYR 142 N -1.71 0.23 0.03 5.22 -0.85 0.43 -4.29 117.35 116.42 3kaz s TYR 142 Ca 0.45 -0.59 0.07 0.00 -0.52 0.00 0.00 57.07 56.48 3kaz s TYR 142 Cb -0.13 0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.39 3kaz s TYR 142 CO 0.20 -0.92 -0.22 0.99 -1.52 0.00 0.00 175.55 174.09 3kaz s THR 143 N -3.97 1.74 -0.18 -3.49 2.01 0.39 -0.01 115.64 112.13 3kaz s THR 143 Ca 0.17 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 3kaz s THR 143 Cb 0.00 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.02 3kaz s THR 143 CO 0.04 0.31 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.46 3kaz s VAL 144 N -0.72 2.76 -0.18 3.82 1.01 0.12 -0.36 120.40 126.85 3kaz s VAL 144 Ca 0.08 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 3kaz s VAL 144 Cb -0.09 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3kaz s VAL 144 CO 0.01 0.49 0.10 -0.69 0.00 0.00 0.00 175.10 175.02 3kaz s VAL 145 N 1.11 5.16 -0.14 2.92 1.01 0.01 -1.82 120.40 128.65 3kaz s VAL 145 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 3kaz s VAL 145 Cb -0.14 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3kaz s VAL 145 CO -0.04 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.65 3kaz s LEU 146 N 0.10 2.70 -0.09 3.92 1.43 -0.73 -0.71 118.68 125.31 3kaz s LEU 146 Ca 0.07 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3kaz s LEU 146 Cb -0.12 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3kaz s LEU 146 CO -0.00 0.14 -0.09 -0.70 0.23 0.00 0.00 176.35 175.93 3kaz s GLU 147 N 0.48 1.52 0.02 1.70 2.12 0.26 -0.33 118.70 124.47 3kaz s GLU 147 Ca -0.09 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.00 3kaz s GLU 147 Cb -0.16 -1.44 -0.03 0.00 0.26 0.00 0.00 34.13 32.76 3kaz s GLU 147 CO 0.04 -0.13 -0.16 -1.54 -0.54 0.00 0.00 175.26 172.93 3kaz s SER 148 N 1.22 3.92 0.12 -1.70 1.04 -0.19 0.35 113.70 118.46 3kaz s SER 148 Ca -0.04 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3kaz s SER 148 Cb -0.14 -0.71 -0.04 0.00 0.10 0.00 0.00 66.02 65.23 3kaz s SER 148 CO -0.03 0.28 -0.03 -0.72 0.98 0.00 0.00 173.24 173.72 3kaz s TYR 149 N -0.88 0.97 0.00 5.02 -0.85 -0.67 -1.38 117.35 119.57 3kaz s TYR 149 Ca 0.14 -0.98 0.03 0.00 -0.52 0.00 0.00 57.07 55.75 3kaz s TYR 149 Cb -0.11 -0.56 -0.01 0.00 0.38 0.00 0.00 41.96 41.66 3kaz s TYR 149 CO 0.04 -0.21 -0.11 -0.08 -1.52 0.00 0.00 175.55 173.68 3kaz s THR 150 N -3.68 0.86 -0.09 -3.49 -1.32 -0.31 -2.53 115.64 105.09 3kaz s THR 150 Ca 0.16 -0.58 -0.16 0.00 -1.21 0.00 0.00 61.69 59.90 3kaz s THR 150 Cb 0.06 -0.74 0.04 0.00 -1.51 0.00 0.00 72.50 70.34 3kaz s THR 150 CO -0.02 0.16 0.40 0.54 -2.21 0.00 0.00 174.62 173.49 3kaz s VAL 151 N -0.41 0.02 0.36 5.08 0.11 -0.30 -1.87 120.40 123.38 3kaz s VAL 151 Ca 0.03 -0.20 -0.27 0.00 -2.93 0.00 0.00 61.98 58.61 3kaz s VAL 151 Cb -0.05 -0.64 -0.09 0.00 -1.53 0.00 0.00 36.38 34.07 3kaz s VAL 151 CO -0.00 -0.11 1.18 -1.81 -3.33 0.00 0.00 175.10 171.03 3kaz s ASP 152 N -0.58 6.76 -0.22 3.54 1.11 -0.07 -0.28 116.67 126.94 3kaz s ASP 152 Ca -0.07 2.40 -0.29 0.00 0.18 0.00 0.00 52.55 54.78 3kaz s ASP 152 Cb -0.04 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.33 3kaz s ASP 152 CO 0.03 -0.51 1.01 -0.63 1.18 0.00 0.00 175.17 176.25 3kaz s ILE 153 N -1.30 4.71 0.65 0.77 -1.09 -0.48 -4.30 121.20 120.17 3kaz s ILE 153 Ca 0.52 1.98 -0.14 0.00 -2.23 0.00 0.00 60.65 60.78 3kaz s ILE 153 Cb -0.33 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.25 3kaz s ILE 153 CO 0.42 -0.14 1.08 -2.16 -1.23 0.00 0.00 174.94 172.91 3kaz s PRO 154 N 3.00 2.98 0.28 2.79 0.04 -1.26 -4.94 135.00 137.88 3kaz s PRO 154 Ca 0.44 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 3kaz s PRO 154 Cb -0.15 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 3kaz s PRO 154 CO 0.08 -1.09 1.48 -1.21 0.04 0.00 0.00 177.00 176.29 3kaz s GLU 155 N -4.25 4.22 0.00 4.56 0.41 -1.26 -1.66 118.70 120.71 3kaz s GLU 155 Ca 0.64 2.40 0.00 0.00 -0.41 0.00 0.00 54.97 57.60 3kaz s GLU 155 Cb -0.18 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 3kaz s GLU 155 CO 0.42 -0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 3kaz n GLY 156 N 1.92 3.17 3.89 -1.39 0.00 -1.26 -5.04 105.19 106.47 3kaz n GLY 156 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3kaz n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kaz s ASN 157 N -0.91 6.20 0.33 1.61 0.02 -0.66 -5.10 114.94 116.43 3kaz s ASN 157 Ca 0.00 1.20 0.05 0.00 -1.02 0.00 0.00 52.86 53.09 3kaz s ASN 157 Cb 0.00 -2.35 -0.01 0.00 0.02 0.00 0.00 41.25 38.91 3kaz s ASN 157 CO 0.00 -0.77 0.49 0.42 0.02 0.00 0.00 177.10 177.25 3kaz s THR 158 N -3.01 4.40 0.21 1.60 -4.23 -1.26 -4.81 115.64 108.54 3kaz s THR 158 Ca 0.52 -0.87 -0.10 0.00 -1.18 0.00 0.00 61.69 60.06 3kaz s THR 158 Cb -0.11 -3.55 0.16 0.00 1.34 0.00 0.00 72.50 70.34 3kaz s THR 158 CO 0.50 -0.25 1.87 -0.08 -0.54 0.00 0.00 174.62 176.12 3kaz h GLU 159 N 0.86 1.01 -0.40 3.99 4.81 -1.98 -2.21 114.58 120.66 3kaz h GLU 159 Ca -0.47 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 3kaz h GLU 159 Cb 1.25 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3kaz h GLU 159 CO 0.56 0.69 -0.28 0.93 -0.73 0.00 0.00 179.01 180.17 3kaz h GLU 160 N 1.04 0.87 -0.13 1.92 3.07 -1.98 0.31 114.58 119.68 3kaz h GLU 160 Ca 0.28 -0.40 -0.17 0.00 -0.50 0.00 0.00 59.36 58.57 3kaz h GLU 160 Cb -0.09 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3kaz h GLU 160 CO -0.06 1.04 -0.57 -0.44 -1.40 0.00 0.00 179.01 177.58 3kaz h ASP 161 N 0.74 0.72 -0.27 1.42 3.45 -1.97 -0.29 116.42 120.22 3kaz h ASP 161 Ca 0.09 -0.63 0.03 0.00 0.43 0.00 0.00 57.03 56.94 3kaz h ASP 161 Cb 0.84 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.37 3kaz h ASP 161 CO 0.07 1.23 0.09 0.71 -1.57 0.00 0.00 179.24 179.78 3kaz h THR 162 N 0.26 0.93 -0.29 0.35 1.35 -1.09 -1.94 112.91 112.47 3kaz h THR 162 Ca -0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3kaz h THR 162 Cb 1.21 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3kaz h THR 162 CO 0.12 0.04 0.19 0.50 -0.25 0.00 0.00 175.52 176.12 3kaz h LYS 163 N 0.22 0.39 -0.51 4.72 3.64 -0.93 -0.11 116.57 123.99 3kaz h LYS 163 Ca 0.12 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3kaz h LYS 163 Cb 0.09 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3kaz h LYS 163 CO -0.12 0.27 0.31 0.52 -2.27 0.00 0.00 179.45 178.17 3kaz h MET 164 N 0.39 0.61 0.32 1.90 2.86 -0.93 0.10 114.93 120.19 3kaz h MET 164 Ca 0.11 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3kaz h MET 164 Cb -0.03 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3kaz h MET 164 CO -0.02 0.40 -0.15 0.35 1.06 0.00 0.00 176.91 178.55 3kaz h PHE 165 N 0.63 -0.40 -0.46 -0.22 3.57 -1.08 -1.90 116.94 117.08 3kaz h PHE 165 Ca 0.20 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 3kaz h PHE 165 Cb -0.00 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3kaz h PHE 165 CO -0.06 -0.22 -0.17 0.28 -2.23 0.00 0.00 178.31 175.91 3kaz h VAL 166 N -0.47 1.27 -0.90 1.41 2.07 -0.88 -1.67 116.25 117.08 3kaz h VAL 166 Ca -0.04 -1.31 0.14 0.00 0.82 0.00 0.00 66.70 66.30 3kaz h VAL 166 Cb 0.36 1.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.18 3kaz h VAL 166 CO 0.07 0.45 0.51 0.44 0.02 0.00 0.00 177.57 179.06 3kaz h ASP 167 N 0.77 0.68 -0.09 0.57 5.19 -0.84 -0.05 116.42 122.65 3kaz h ASP 167 Ca 0.11 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 3kaz h ASP 167 Cb 0.73 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.19 3kaz h ASP 167 CO 0.06 0.31 0.02 0.74 -3.12 0.00 0.00 179.24 177.24 3kaz h THR 168 N 0.75 1.21 -0.55 0.35 2.02 -0.74 -1.41 112.91 114.54 3kaz h THR 168 Ca 0.48 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3kaz h THR 168 Cb 0.62 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 3kaz h THR 168 CO -0.33 0.19 0.36 -0.37 0.37 0.00 0.00 175.52 175.73 3kaz h VAL 169 N -0.08 1.11 -0.40 3.16 -1.51 -0.84 -0.97 116.25 116.72 3kaz h VAL 169 Ca 0.03 -0.25 -0.05 0.00 -1.23 0.00 0.00 66.70 65.20 3kaz h VAL 169 Cb 0.28 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 3kaz h VAL 169 CO 0.00 0.13 0.06 0.58 -1.23 0.00 0.00 177.57 177.11 3kaz h VAL 170 N 0.72 1.24 -0.59 7.19 2.07 -0.98 -1.89 116.25 124.01 3kaz h VAL 170 Ca 0.21 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3kaz h VAL 170 Cb -0.04 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3kaz h VAL 170 CO -0.07 0.30 0.31 0.50 0.02 0.00 0.00 177.57 178.64 3kaz h LYS 171 N 0.52 0.84 -0.69 1.57 1.63 -1.06 -0.81 116.57 118.56 3kaz h LYS 171 Ca 0.12 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 3kaz h LYS 171 Cb 0.39 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 3kaz h LYS 171 CO 0.01 0.65 0.29 -0.07 -3.45 0.00 0.00 179.45 176.88 3kaz h LEU 172 N 0.80 0.94 -0.62 5.20 3.38 -1.04 0.27 115.31 124.24 3kaz h LEU 172 Ca 0.21 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3kaz h LEU 172 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3kaz h LEU 172 CO -0.03 0.85 0.14 0.78 0.09 0.00 0.00 178.44 180.27 3kaz h ASN 173 N 0.98 0.96 -0.42 -0.43 2.35 -1.02 -0.92 115.58 117.07 3kaz h ASN 173 Ca 0.23 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3kaz h ASN 173 Cb 0.19 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3kaz h ASN 173 CO -0.02 0.95 0.16 -0.07 -1.65 0.00 0.00 177.43 176.80 3kaz h LEU 174 N 0.92 0.63 -0.53 1.61 3.38 -0.79 -0.47 115.31 120.07 3kaz h LEU 174 Ca 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3kaz h LEU 174 Cb 0.37 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kaz h LEU 174 CO 0.00 0.59 0.10 1.56 0.09 0.00 0.00 178.44 180.78 3kaz h GLN 175 N 0.68 0.87 -0.54 1.13 4.20 -0.61 -0.67 115.11 120.17 3kaz h GLN 175 Ca 0.16 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 3kaz h GLN 175 Cb 0.18 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3kaz h GLN 175 CO -0.01 0.84 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.69 3kaz h LYS 176 N 0.76 0.99 -0.88 1.46 3.64 -0.81 -0.81 116.57 120.92 3kaz h LYS 176 Ca 0.16 -0.35 0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3kaz h LYS 176 Cb 0.39 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 3kaz h LYS 176 CO 0.01 1.02 0.53 1.25 -2.27 0.00 0.00 179.45 180.00 3kaz h LEU 177 N 0.89 0.80 -0.53 5.20 5.85 -0.90 0.27 115.31 126.89 3kaz h LEU 177 Ca 0.14 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3kaz h LEU 177 Cb 0.64 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3kaz h LEU 177 CO 0.04 0.47 0.16 1.23 -0.34 0.00 0.00 178.44 180.01 3kaz h GLY 178 N 0.92 0.89 0.98 3.75 0.00 -0.33 0.41 103.07 109.69 3kaz h GLY 178 Ca 0.41 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3kaz h GLY 178 CO -0.22 0.49 0.26 -2.08 0.00 0.00 0.00 176.54 174.99 3kaz h VAL 179 N 0.73 1.17 -0.40 4.60 2.07 -0.67 0.12 116.25 123.86 3kaz h VAL 179 Ca 0.17 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3kaz h VAL 179 Cb 0.28 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3kaz h VAL 179 CO -0.00 0.18 0.20 0.00 0.02 0.00 0.00 177.57 177.96 3kaz h ALA 180 N 1.10 0.52 -0.19 1.67 0.00 -0.69 -0.28 119.26 121.40 3kaz h ALA 180 Ca 0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3kaz h ALA 180 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kaz h ALA 180 CO -0.03 0.08 -0.27 0.00 0.00 0.00 0.00 179.25 179.03 3kaz h ALA 181 N 1.04 1.19 0.00 0.00 0.00 -0.76 -1.12 119.26 119.62 3kaz h ALA 181 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kaz h ALA 181 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kaz h ALA 181 CO -0.02 0.53 -0.97 -2.37 0.00 0.00 0.00 179.25 176.41 3kaz n THR 182 N -4.12 0.50 -1.31 0.00 5.66 0.01 -4.70 114.28 110.31 3kaz n THR 182 Ca -0.01 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 3kaz n THR 182 Cb 0.40 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 3kaz n THR 182 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3kaz n SER 183 N -2.48 0.00 -4.70 1.09 3.41 -0.13 -5.06 113.62 105.74 3kaz n SER 183 Ca 0.01 -0.78 -0.24 0.00 -0.26 0.00 0.00 58.87 57.59 3kaz n SER 183 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 3kaz n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kaz s ALA 184 N 0.00 3.30 0.45 7.33 0.00 -0.43 -5.00 121.76 127.41 3kaz s ALA 184 Ca 0.00 -1.46 -0.25 0.00 0.00 0.00 0.00 51.96 50.25 3kaz s ALA 184 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.03 3kaz s ALA 184 CO 0.00 0.36 1.36 -2.14 0.00 0.00 0.00 175.76 175.34 3kaz s PRO 185 N -3.39 3.72 1.28 0.00 0.02 -1.26 -4.81 135.00 130.56 3kaz s PRO 185 Ca 0.30 2.26 -0.21 0.00 0.02 0.00 0.00 61.00 63.37 3kaz s PRO 185 Cb -0.08 -2.62 0.32 0.00 0.02 0.00 0.00 34.50 32.13 3kaz s PRO 185 CO 0.21 -0.73 1.06 -1.64 -0.33 0.00 0.00 177.00 175.57 3kaz s MET 186 N -2.45 -1.84 0.00 5.54 -1.94 -1.26 -5.05 119.30 112.30 3kaz s MET 186 Ca 0.61 -0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.52 3kaz s MET 186 Cb -0.40 -1.52 0.00 0.00 2.01 0.00 0.00 34.83 34.91 3kaz s MET 186 CO 0.51 -4.12 0.00 1.58 -0.01 0.00 0.00 175.02 172.98