#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 -0.81 -0.42 1.43 4.57 -2.01 0.20 114.58 117.55 3kaz h GLU 14 Ca 0.00 0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 3kaz h GLU 14 Cb 0.00 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3kaz h GLU 14 CO 0.00 -0.54 -0.07 1.96 -1.18 0.00 0.00 179.01 179.18 3kaz h GLN 15 N -0.84 0.78 -0.18 1.92 4.20 -2.05 -2.69 115.11 116.24 3kaz h GLN 15 Ca -0.04 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 3kaz h GLN 15 Cb 0.76 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3kaz h GLN 15 CO -0.11 0.89 0.09 -0.22 -0.67 0.00 0.00 178.83 178.81 3kaz h LYS 16 N 0.60 0.26 -0.23 1.46 1.63 -1.99 -1.71 116.57 116.60 3kaz h LYS 16 Ca 0.11 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.72 3kaz h LYS 16 Cb 0.58 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3kaz h LYS 16 CO 0.03 0.29 -0.50 1.15 -3.45 0.00 0.00 179.45 176.98 3kaz h THR 17 N 0.17 1.31 0.00 1.00 2.02 -0.60 -3.23 112.91 113.57 3kaz h THR 17 Ca 0.06 -1.71 -0.11 0.00 0.77 0.00 0.00 66.41 65.42 3kaz h THR 17 Cb 0.12 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3kaz h THR 17 CO -0.01 0.54 -0.53 -0.07 0.37 0.00 0.00 175.52 175.83 3kaz h LEU 18 N 0.49 0.00 0.02 2.58 3.38 -1.42 -3.35 115.31 117.01 3kaz h LEU 18 Ca 0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3kaz h LEU 18 Cb 1.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3kaz h LEU 18 CO 0.10 0.53 -0.45 -0.08 0.09 0.00 0.00 178.44 178.63 3kaz h GLU 19 N 0.00 -0.59 -0.10 1.13 4.81 -1.32 -0.32 114.58 118.18 3kaz h GLU 19 Ca -0.01 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3kaz h GLU 19 Cb 1.18 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 3kaz h GLU 19 CO 0.07 -0.39 -0.18 -1.00 -0.73 0.00 0.00 179.01 176.78 3kaz h PRO 20 N -0.61 0.16 -0.60 0.92 0.13 -1.75 -1.80 132.00 128.44 3kaz h PRO 20 Ca 0.04 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kaz h PRO 20 Cb 0.68 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.76 3kaz h PRO 20 CO -0.31 0.34 0.39 0.28 -0.23 0.00 0.00 178.00 178.47 3kaz h VAL 21 N 0.15 1.16 0.08 1.56 2.07 -1.54 0.30 116.25 120.04 3kaz h VAL 21 Ca 0.03 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3kaz h VAL 21 Cb 0.41 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3kaz h VAL 21 CO 0.03 0.16 -0.04 0.40 0.02 0.00 0.00 177.57 178.13 3kaz h ILE 22 N 0.81 0.94 -0.38 4.57 1.08 -0.27 -1.56 117.51 122.71 3kaz h ILE 22 Ca 0.22 -0.10 -0.08 0.00 -0.39 0.00 0.00 64.86 64.51 3kaz h ILE 22 Cb -0.08 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 3kaz h ILE 22 CO -0.05 0.02 -0.09 0.11 -0.69 0.00 0.00 178.15 177.46 3kaz h LYS 23 N -0.16 0.65 0.39 2.37 1.79 -1.19 -1.12 116.57 119.30 3kaz h LYS 23 Ca -0.01 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 3kaz h LYS 23 Cb 0.13 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3kaz h LYS 23 CO 0.02 0.73 -0.19 1.15 -1.08 0.00 0.00 179.45 180.08 3kaz h THR 24 N 0.60 0.56 0.00 -0.16 2.02 -0.20 -3.42 112.91 112.31 3kaz h THR 24 Ca 0.11 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3kaz h THR 24 Cb 0.51 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3kaz h THR 24 CO 0.03 0.09 -1.41 -1.22 0.37 0.00 0.00 175.52 173.37 3kaz n TYR 25 N -5.19 0.00 -1.05 3.16 4.02 -0.60 -4.78 117.16 112.71 3kaz n TYR 25 Ca -0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.83 3kaz n TYR 25 Cb 0.28 -0.22 0.29 0.00 -0.02 0.00 0.00 39.34 39.66 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 -1.87 1.45 -3.66 -0.72 8.25 -0.42 -4.91 115.22 113.34 3kaz n HIS 26 Ca -0.03 -1.01 -0.20 0.00 -0.26 0.00 0.00 57.72 56.22 3kaz n HIS 26 Cb 0.30 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 30.95 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 -2.91 3.08 0.16 -0.41 -0.21 -1.23 -4.91 119.66 113.23 3kaz s GLN 27 Ca 0.47 -1.03 -0.14 0.00 0.02 0.00 0.00 55.36 54.68 3kaz s GLN 27 Cb 0.38 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.67 3kaz s GLN 27 CO 0.10 0.15 0.41 0.12 -2.12 0.00 0.00 175.29 173.94 3kaz s PHE 28 N -2.17 -0.00 0.37 0.91 5.36 -1.26 -5.13 117.98 116.07 3kaz s PHE 28 Ca 0.42 -0.34 -0.26 0.00 -0.96 0.00 0.00 56.93 55.79 3kaz s PHE 28 Cb -0.09 0.22 -0.09 0.00 -0.34 0.00 0.00 43.02 42.72 3kaz s PHE 28 CO 0.29 -0.78 1.13 -1.21 -1.46 0.00 0.00 175.22 173.20 3kaz s GLU 29 N -3.87 4.20 0.51 10.12 2.02 -1.26 -4.99 118.70 125.43 3kaz s GLU 29 Ca 0.09 1.77 -0.21 0.00 0.02 0.00 0.00 54.97 56.63 3kaz s GLU 29 Cb 0.01 -2.75 -0.06 0.00 0.10 0.00 0.00 34.13 31.43 3kaz s GLU 29 CO -0.06 -0.17 1.20 -1.25 0.02 0.00 0.00 175.26 175.00 3kaz s PRO 30 N -2.17 3.45 -0.30 0.39 0.04 -1.26 -5.03 135.00 130.13 3kaz s PRO 30 Ca 0.55 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 63.28 3kaz s PRO 30 Cb -0.29 -2.23 0.14 0.00 0.04 0.00 0.00 34.50 32.16 3kaz s PRO 30 CO 0.37 -0.82 0.87 0.34 0.04 0.00 0.00 177.00 177.79 3kaz s ASP 31 N -1.40 -0.75 0.00 6.66 -1.08 -1.26 -5.03 116.67 113.81 3kaz s ASP 31 Ca 0.69 1.08 0.31 0.00 -0.52 0.00 0.00 52.55 54.10 3kaz s ASP 31 Cb -0.30 1.71 1.60 0.00 -1.46 0.00 0.00 42.92 44.47 3kaz s ASP 31 CO 0.35 -0.16 2.07 -0.81 0.52 0.00 0.00 175.17 177.15 3kaz n PRO 32 N 4.78 0.75 0.02 4.34 -0.04 -1.26 -2.98 135.00 140.62 3kaz n PRO 32 Ca -0.13 -0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.36 3kaz n PRO 32 Cb 0.53 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 3kaz n PRO 32 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kaz n THR 33 N -1.05 0.15 -4.43 0.52 -2.24 -1.26 -4.98 114.28 100.99 3kaz n THR 33 Ca 0.18 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 3kaz n THR 33 Cb 0.20 0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 3kaz n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kaz s THR 34 N -3.12 2.71 -0.10 4.28 -4.23 -1.16 -1.23 115.64 112.80 3kaz s THR 34 Ca 0.07 -2.28 0.03 0.00 -1.18 0.00 0.00 61.69 58.33 3kaz s THR 34 Cb 0.15 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 3kaz s THR 34 CO 0.76 -0.39 -0.18 0.00 -0.54 0.00 0.00 174.62 174.27 3kaz s THR 36 N 0.08 0.95 0.08 0.00 -4.23 -1.26 -1.76 115.64 109.50 3kaz s THR 36 Ca -0.08 -1.10 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 3kaz s THR 36 Cb -0.15 -0.91 0.04 0.00 1.34 0.00 0.00 72.50 72.81 3kaz s THR 36 CO 0.05 -0.17 0.41 -0.55 -0.54 0.00 0.00 174.62 173.82 3kaz s SER 37 N -1.43 -0.26 -0.18 3.99 0.15 -1.02 -4.99 113.70 109.96 3kaz s SER 37 Ca -0.02 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 3kaz s SER 37 Cb -0.09 0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3kaz s SER 37 CO 0.01 -0.76 -0.12 -0.22 1.20 0.00 0.00 173.24 173.36 3kaz s LEU 38 N -2.39 2.60 -0.05 3.45 1.98 -1.26 -1.95 118.68 121.06 3kaz s LEU 38 Ca -0.01 -0.45 0.04 0.00 -2.89 0.00 0.00 54.13 50.81 3kaz s LEU 38 Cb 0.01 -1.62 -0.02 0.00 0.66 0.00 0.00 46.19 45.21 3kaz s LEU 38 CO -0.07 0.05 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.66 3kaz s ILE 39 N 1.05 2.98 -0.05 6.68 1.09 0.17 -4.98 121.20 128.15 3kaz s ILE 39 Ca -0.01 -0.75 0.06 0.00 -1.10 0.00 0.00 60.65 58.86 3kaz s ILE 39 Cb -0.15 -2.16 -0.01 0.00 -1.06 0.00 0.00 42.46 39.08 3kaz s ILE 39 CO -0.03 0.59 -0.24 -0.89 -0.10 0.00 0.00 174.94 174.27 3kaz s THR 40 N -0.64 1.94 -0.06 2.92 2.01 -1.26 -0.59 115.64 119.95 3kaz s THR 40 Ca 0.10 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 3kaz s THR 40 Cb -0.11 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.80 3kaz s THR 40 CO 0.01 0.54 0.04 -1.58 -0.69 0.00 0.00 174.62 172.94 3kaz s GLN 41 N -0.24 0.21 0.00 4.92 2.00 -0.41 -5.01 119.66 121.13 3kaz s GLN 41 Ca -0.00 0.23 -0.25 0.00 -2.00 0.00 0.00 55.36 53.33 3kaz s GLN 41 Cb -0.12 -0.81 -0.05 0.00 0.80 0.00 0.00 33.01 32.83 3kaz s GLN 41 CO 0.02 -0.35 0.77 0.50 -0.50 0.00 0.00 175.29 175.73 3kaz s ARG 42 N 2.09 4.48 -0.05 1.67 3.52 -1.26 -1.03 118.95 128.37 3kaz s ARG 42 Ca 0.05 1.05 0.02 0.00 -0.13 0.00 0.00 55.73 56.72 3kaz s ARG 42 Cb -0.12 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 3kaz s ARG 42 CO -0.04 0.17 -0.11 0.42 -0.81 0.00 0.00 175.30 174.92 3kaz s ILE 43 N 0.37 0.98 -1.32 4.11 1.01 0.66 -5.01 121.20 122.01 3kaz s ILE 43 Ca 0.40 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 3kaz s ILE 43 Cb -0.20 -0.89 0.13 0.00 0.01 0.00 0.00 42.46 41.51 3kaz s ILE 43 CO 0.22 0.31 2.26 1.41 0.00 0.00 0.00 174.94 179.14 3kaz n HIS 44 N 3.57 2.68 -3.57 3.97 8.25 -1.26 -0.44 115.22 128.42 3kaz n HIS 44 Ca -0.21 -2.82 -0.11 0.00 -0.26 0.00 0.00 57.72 54.31 3kaz n HIS 44 Cb 0.53 -1.89 -0.04 0.00 1.12 0.00 0.00 29.99 29.71 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 -0.62 -1.16 0.69 -1.41 0.00 -1.26 -4.81 121.76 113.19 3kaz s ALA 45 Ca 0.50 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 3kaz s ALA 45 Cb 0.16 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.98 3kaz s ALA 45 CO -0.07 -0.65 1.10 -2.14 0.00 0.00 0.00 175.76 174.01 3kaz s PRO 46 N -3.55 2.68 0.44 0.00 0.02 -1.26 -3.10 135.00 130.23 3kaz s PRO 46 Ca 0.01 1.31 0.17 0.00 0.02 0.00 0.00 61.00 62.51 3kaz s PRO 46 Cb 0.01 -1.94 1.01 0.00 0.02 0.00 0.00 34.50 33.59 3kaz s PRO 46 CO -0.10 -1.33 1.95 0.00 -0.33 0.00 0.00 177.00 177.19 3kaz h ALA 47 N -0.28 1.49 0.00 -1.55 0.00 -1.92 -1.45 119.26 115.55 3kaz h ALA 47 Ca -0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3kaz h ALA 47 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kaz h ALA 47 CO 0.54 0.29 0.00 0.66 0.00 0.00 0.00 179.25 180.74 3kaz h SER 48 N 0.00 0.00 0.07 0.00 4.64 -2.01 -0.77 113.55 115.49 3kaz h SER 48 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3kaz h SER 48 Cb 0.45 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 3kaz h SER 48 CO 0.03 0.00 -2.24 0.52 -0.87 0.00 0.00 176.83 174.27 3kaz n VAL 49 N -2.78 1.62 -0.01 0.95 0.31 -0.58 -4.41 118.33 113.43 3kaz n VAL 49 Ca -0.00 -0.63 -0.13 0.00 -0.01 0.00 0.00 64.34 63.57 3kaz n VAL 49 Cb 0.19 -1.51 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 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 0.03 1.37 -0.42 2.52 2.07 -1.27 -3.36 116.25 117.19 3kaz h VAL 50 Ca -0.50 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 65.98 3kaz h VAL 50 Cb 1.98 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 33.81 3kaz h VAL 50 CO -0.00 0.29 0.11 -0.25 0.02 0.00 0.00 177.57 177.74 3kaz h TRP 51 N -0.46 0.20 -0.23 1.57 -0.00 -1.38 -2.26 115.95 113.38 3kaz h TRP 51 Ca 0.00 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.98 3kaz h TRP 51 Cb 0.47 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.60 3kaz h TRP 51 CO 0.09 0.05 0.20 -1.35 -0.00 0.00 0.00 178.44 177.42 3kaz h PRO 52 N 0.26 0.00 -0.40 2.65 0.11 -1.77 0.86 132.00 133.71 3kaz h PRO 52 Ca 0.20 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 3kaz h PRO 52 Cb 0.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3kaz h PRO 52 CO -0.24 0.00 0.12 -0.07 -0.21 0.00 0.00 178.00 177.60 3kaz h LEU 53 N 0.00 0.60 -0.24 2.35 -0.00 -1.56 -2.53 115.31 113.93 3kaz h LEU 53 Ca 0.11 -0.21 -0.21 0.00 -0.00 0.00 0.00 57.88 57.56 3kaz h LEU 53 Cb 0.50 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 41.01 3kaz h LEU 53 CO -0.00 0.65 -0.78 0.40 -0.00 0.00 0.00 178.44 178.72 3kaz h ILE 54 N 0.51 1.31 0.00 1.22 2.04 -1.29 -3.35 117.51 117.95 3kaz h ILE 54 Ca 0.13 -2.05 -0.10 0.00 1.00 0.00 0.00 64.86 63.85 3kaz h ILE 54 Cb 0.28 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3kaz h ILE 54 CO -0.00 0.64 -0.46 -0.09 0.00 0.00 0.00 178.15 178.24 3kaz h ARG 55 N 0.44 0.00 -5.92 2.37 9.65 -0.83 -3.39 114.38 116.70 3kaz h ARG 55 Ca -0.05 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.37 3kaz h ARG 55 Cb 1.39 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.89 3kaz h ARG 55 CO 0.15 0.46 1.18 0.50 2.80 0.00 0.00 179.97 185.06 3kaz s ARG 56 N -3.19 3.14 0.33 0.20 6.06 -0.96 -4.85 118.95 119.68 3kaz s ARG 56 Ca 0.02 -0.79 0.07 0.00 -2.50 0.00 0.00 55.73 52.53 3kaz s ARG 56 Cb 0.09 -5.24 0.60 0.00 0.06 0.00 0.00 34.95 30.46 3kaz s ARG 56 CO 0.72 -2.75 1.81 0.35 -2.50 0.00 0.00 175.30 172.93 3kaz h PHE 57 N 10.37 0.33 -0.06 5.12 3.57 -1.84 -2.84 116.94 131.60 3kaz h PHE 57 Ca 0.16 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3kaz h PHE 57 Cb 1.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3kaz h PHE 57 CO 1.26 0.52 0.00 -0.40 -2.23 0.00 0.00 178.31 177.45 3kaz n ASP 58 N -4.17 0.58 -2.80 0.41 3.85 -1.26 -4.23 116.55 108.94 3kaz n ASP 58 Ca -0.01 -1.52 -0.16 0.00 -0.71 0.00 0.00 54.79 52.39 3kaz n ASP 58 Cb 0.36 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 3kaz n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3kaz n ASN 59 N -0.40 2.01 0.28 -1.12 4.05 -1.07 -4.47 115.26 114.54 3kaz n ASN 59 Ca 0.15 -3.02 0.17 0.00 0.45 0.00 0.00 54.58 52.32 3kaz n ASN 59 Cb 0.16 -0.55 0.80 0.00 1.23 0.00 0.00 39.78 41.42 3kaz n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3kaz h PRO 60 N 2.94 0.00 -0.13 1.20 0.13 -1.75 -2.95 132.00 131.44 3kaz h PRO 60 Ca 0.03 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3kaz h PRO 60 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3kaz h PRO 60 CO 0.58 0.05 0.16 1.05 -0.23 0.00 0.00 178.00 179.61 3kaz h GLU 61 N 0.00 0.00 0.00 0.86 9.09 -1.90 -0.23 114.58 122.40 3kaz h GLU 61 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 3kaz h GLU 61 Cb 0.37 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.46 3kaz h GLU 61 CO 0.01 0.00 -0.16 0.00 0.05 0.00 0.00 179.01 178.91 3kaz h ARG 62 N 0.00 0.00 0.00 1.06 3.08 -1.92 -3.28 114.38 113.33 3kaz h ARG 62 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kaz h ARG 62 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3kaz h ARG 62 CO -0.00 0.16 0.00 2.48 -1.07 0.00 0.00 179.97 181.54 3kaz n TYR 63 N -3.80 0.00 -4.64 3.04 0.18 -0.67 -4.78 117.16 106.49 3kaz n TYR 63 Ca -0.02 -0.11 -0.26 0.00 1.88 0.00 0.00 57.90 59.39 3kaz n TYR 63 Cb 0.26 -0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.07 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 -0.22 1.42 0.48 -3.48 1.02 -0.19 -3.79 119.74 114.98 3kaz s LYS 64 Ca 0.00 -1.00 -0.05 0.00 0.02 0.00 0.00 55.97 54.95 3kaz s LYS 64 Cb 0.00 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.71 3kaz s LYS 64 CO 0.00 0.40 0.77 -1.01 -0.92 0.00 0.00 175.35 174.59 3kaz s HIS 65 N -0.84 3.54 -0.47 3.18 3.76 -1.26 -4.37 115.29 118.82 3kaz s HIS 65 Ca 0.08 0.76 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 3kaz s HIS 65 Cb -0.09 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.30 3kaz s HIS 65 CO 0.02 -0.28 0.00 1.19 -0.85 0.00 0.00 174.74 174.82 3kaz n PHE 66 N -2.24 0.00 -3.79 1.40 3.01 -1.26 -4.97 117.46 109.61 3kaz n PHE 66 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 3kaz n PHE 66 Cb 0.55 -1.18 -0.13 0.00 -0.01 0.00 0.00 39.48 38.72 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 -2.05 4.11 -0.10 -4.37 1.01 -1.26 -0.03 120.40 117.70 3kaz s VAL 67 Ca 0.00 -0.25 0.22 0.00 0.00 0.00 0.00 61.98 61.95 3kaz s VAL 67 Cb 0.00 -2.92 -0.22 0.00 0.00 0.00 0.00 36.38 33.24 3kaz s VAL 67 CO 0.00 0.35 0.66 2.29 0.00 0.00 0.00 175.10 178.41 3kaz n LYS 68 N 4.90 0.64 -3.59 2.72 2.85 -0.17 -4.93 118.16 120.58 3kaz n LYS 68 Ca -0.17 -0.08 -0.11 0.00 -1.05 0.00 0.00 58.31 56.90 3kaz n LYS 68 Cb 0.51 -1.63 -0.06 0.00 -0.65 0.00 0.00 35.03 33.21 3kaz n LYS 68 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 3kaz s ARG 69 N -3.43 0.64 -0.09 -1.58 3.52 -1.22 -5.02 118.95 111.77 3kaz s ARG 69 Ca -0.05 0.30 -0.09 0.00 -0.13 0.00 0.00 55.73 55.76 3kaz s ARG 69 Cb 0.12 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 3kaz s ARG 69 CO 0.87 -0.17 0.24 0.00 -0.81 0.00 0.00 175.30 175.43 3kaz s ARG 71 N 0.06 1.04 -0.13 0.00 1.70 -1.09 -4.91 118.95 115.62 3kaz s ARG 71 Ca -0.01 -0.25 -0.29 0.00 -0.47 0.00 0.00 55.73 54.71 3kaz s ARG 71 Cb -0.02 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 3kaz s ARG 71 CO 0.00 -0.38 1.01 -0.51 -1.08 0.00 0.00 175.30 174.35 3kaz s LEU 72 N -2.01 4.21 0.03 -1.89 1.02 -1.26 -0.76 118.68 118.02 3kaz s LEU 72 Ca -0.05 1.49 0.20 0.00 0.02 0.00 0.00 54.13 55.78 3kaz s LEU 72 Cb -0.01 -3.54 -0.18 0.00 0.02 0.00 0.00 46.19 42.48 3kaz s LEU 72 CO -0.02 -0.49 0.66 0.00 0.02 0.00 0.00 176.35 176.52 3kaz n ILE 73 N 4.72 0.79 -3.68 -0.59 3.06 0.85 -4.91 119.36 119.59 3kaz n ILE 73 Ca 0.09 -0.64 -0.15 0.00 -2.50 0.00 0.00 62.75 59.56 3kaz n ILE 73 Cb 0.48 -0.42 -0.08 0.00 0.54 0.00 0.00 39.64 40.16 3kaz n ILE 73 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3kaz s SER 74 N -5.31 -0.38 0.00 9.51 0.15 -1.05 -4.97 113.70 111.66 3kaz s SER 74 Ca -0.05 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.00 3kaz s SER 74 Cb 0.10 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 3kaz s SER 74 CO 0.84 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.43 3kaz n GLY 75 N 1.37 -2.26 0.00 9.45 0.00 -1.26 -1.14 105.19 111.35 3kaz n GLY 75 Ca -0.20 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.66 0.99 0.00 1.61 8.00 -1.26 -4.92 116.55 120.31 3kaz n ASP 76 Ca 0.00 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.21 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 -0.14 0.88 3.95 0.44 0.00 -1.26 -5.07 105.19 103.99 3kaz n GLY 77 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.16 -4.55 1.61 8.00 -1.26 -4.68 116.55 117.83 3kaz n ASP 78 Ca 0.00 -2.57 -0.44 0.00 0.71 0.00 0.00 54.79 52.49 3kaz n ASP 78 Cb 0.00 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.68 3kaz n ASP 78 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kaz n VAL 79 N -2.26 2.05 0.00 2.53 0.24 -1.26 -1.77 118.33 117.86 3kaz n VAL 79 Ca 0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3kaz n VAL 79 Cb 0.61 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 3kaz n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kaz n GLY 80 N 1.38 2.40 3.75 7.63 0.00 0.67 -5.01 105.19 116.00 3kaz n GLY 80 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.54 5.08 -0.12 1.61 0.01 -0.73 -4.72 113.70 113.28 3kaz s SER 81 Ca 0.00 2.45 0.01 0.00 1.31 0.00 0.00 55.95 59.72 3kaz s SER 81 Cb 0.00 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.64 3kaz s SER 81 CO 0.00 -1.67 -0.14 -0.69 0.41 0.00 0.00 173.24 171.15 3kaz s VAL 82 N -1.54 1.43 -0.03 3.43 1.01 -0.29 -1.75 120.40 122.67 3kaz s VAL 82 Ca 0.78 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3kaz s VAL 82 Cb -0.32 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3kaz s VAL 82 CO 0.35 0.43 0.01 0.00 0.00 0.00 0.00 175.10 175.89 3kaz s ARG 83 N 1.24 2.89 -0.36 2.72 1.70 0.66 -0.11 118.95 127.69 3kaz s ARG 83 Ca -0.02 -0.53 -0.12 0.00 -0.47 0.00 0.00 55.73 54.60 3kaz s ARG 83 Cb -0.14 -2.74 0.01 0.00 -0.57 0.00 0.00 34.95 31.51 3kaz s ARG 83 CO -0.05 0.65 0.21 -2.00 -1.08 0.00 0.00 175.30 173.03 3kaz s GLU 84 N -1.39 3.10 -0.24 3.89 2.12 0.06 -0.31 118.70 125.93 3kaz s GLU 84 Ca 0.18 -0.90 -0.08 0.00 0.36 0.00 0.00 54.97 54.53 3kaz s GLU 84 Cb -0.12 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 3kaz s GLU 84 CO 0.08 -0.59 0.10 0.08 -0.54 0.00 0.00 175.26 174.39 3kaz s VAL 85 N 1.62 4.63 -0.29 3.70 1.01 0.67 -2.67 120.40 129.08 3kaz s VAL 85 Ca 0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3kaz s VAL 85 Cb -0.18 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3kaz s VAL 85 CO 0.08 0.34 0.32 0.28 0.00 0.00 0.00 175.10 176.12 3kaz s THR 86 N 1.42 5.21 -0.00 3.92 -1.32 -0.05 -0.61 115.64 124.21 3kaz s THR 86 Ca 0.06 0.36 0.04 0.00 -1.21 0.00 0.00 61.69 60.93 3kaz s THR 86 Cb -0.15 -3.67 -0.03 0.00 -1.51 0.00 0.00 72.50 67.14 3kaz s THR 86 CO 0.05 0.14 -0.11 0.54 -2.21 0.00 0.00 174.62 173.03 3kaz s VAL 87 N 1.97 3.35 0.14 5.08 0.11 -0.86 -1.00 120.40 129.18 3kaz s VAL 87 Ca 0.12 -0.83 0.04 0.00 -2.93 0.00 0.00 61.98 58.38 3kaz s VAL 87 Cb -0.16 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 3kaz s VAL 87 CO 0.11 0.43 0.15 0.27 -3.33 0.00 0.00 175.10 172.73 3kaz s ILE 88 N -0.92 4.66 0.27 7.04 -5.25 0.96 -1.68 121.20 126.28 3kaz s ILE 88 Ca 0.15 -0.92 -0.05 0.00 -0.99 0.00 0.00 60.65 58.84 3kaz s ILE 88 Cb -0.11 -3.35 0.02 0.00 2.95 0.00 0.00 42.46 41.98 3kaz s ILE 88 CO 0.05 -0.04 0.45 -0.24 -1.79 0.00 0.00 174.94 173.37 3kaz n SER 89 N -0.16 -1.29 -0.26 4.36 2.88 -1.26 -4.85 113.62 113.04 3kaz n SER 89 Ca -0.08 -2.29 -0.07 0.00 -1.33 0.00 0.00 58.87 55.10 3kaz n SER 89 Cb 0.54 2.26 0.06 0.00 -0.75 0.00 0.00 64.21 66.32 3kaz n SER 89 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3kaz h GLY 90 N 1.44 1.22 -1.22 0.46 0.00 -2.04 -3.44 103.07 99.49 3kaz h GLY 90 Ca -0.22 -0.74 -0.50 0.00 0.00 0.00 0.00 47.33 45.87 3kaz h GLY 90 CO 0.29 0.69 0.34 1.08 0.00 0.00 0.00 176.54 178.93 3kaz s LEU 91 N -9.56 2.86 1.02 3.11 1.43 -1.26 -5.01 118.68 111.26 3kaz s LEU 91 Ca -0.12 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 3kaz s LEU 91 Cb 0.15 -4.27 0.16 0.00 0.03 0.00 0.00 46.19 42.26 3kaz s LEU 91 CO 0.84 -1.84 0.82 -2.65 0.23 0.00 0.00 176.35 173.75 3kaz n PRO 92 N -3.38 -1.09 -1.68 1.29 -0.02 -1.26 -4.82 135.00 124.05 3kaz n PRO 92 Ca 0.08 -0.27 -0.50 0.00 -2.02 0.00 0.00 63.50 60.78 3kaz n PRO 92 Cb 0.54 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 3kaz n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kaz n ALA 93 N -4.33 0.54 -2.12 3.55 0.00 -1.26 -4.67 120.51 112.22 3kaz n ALA 93 Ca 0.07 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.69 3kaz n ALA 93 Cb 0.54 -2.37 -0.00 0.00 0.00 0.00 0.00 19.45 17.62 3kaz n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kaz s SER 94 N 3.06 5.55 -0.07 0.00 0.15 -0.67 -4.94 113.70 116.77 3kaz s SER 94 Ca 0.91 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 57.12 3kaz s SER 94 Cb -0.80 -0.71 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 3kaz s SER 94 CO 0.52 -0.69 -0.14 0.28 1.20 0.00 0.00 173.24 174.41 3kaz s THR 95 N -2.36 1.26 -0.15 6.45 -1.32 -1.26 -2.03 115.64 116.23 3kaz s THR 95 Ca 0.52 -0.56 -0.00 0.00 -1.21 0.00 0.00 61.69 60.44 3kaz s THR 95 Cb -0.08 -1.14 0.04 0.00 -1.51 0.00 0.00 72.50 69.80 3kaz s THR 95 CO 0.31 0.38 -0.06 -0.55 -2.21 0.00 0.00 174.62 172.49 3kaz s SER 96 N 0.59 2.66 -0.14 8.08 0.15 0.22 -4.16 113.70 121.10 3kaz s SER 96 Ca -0.15 -0.56 -0.16 0.00 0.70 0.00 0.00 55.95 55.78 3kaz s SER 96 Cb -0.16 -0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 3kaz s SER 96 CO 0.04 -0.16 0.38 0.28 1.20 0.00 0.00 173.24 174.99 3kaz s THR 97 N 1.64 5.25 0.01 6.45 -1.32 -0.07 -0.24 115.64 127.36 3kaz s THR 97 Ca 0.02 0.75 0.02 0.00 -1.21 0.00 0.00 61.69 61.27 3kaz s THR 97 Cb -0.14 -3.72 -0.01 0.00 -1.51 0.00 0.00 72.50 67.11 3kaz s THR 97 CO -0.08 0.35 -0.08 -1.61 -2.21 0.00 0.00 174.62 171.00 3kaz s GLU 98 N 0.58 0.57 -0.04 7.08 2.02 0.58 -1.09 118.70 128.40 3kaz s GLU 98 Ca 0.21 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.85 3kaz s GLU 98 Cb -0.14 -0.51 -0.01 0.00 0.10 0.00 0.00 34.13 33.57 3kaz s GLU 98 CO 0.07 0.13 -0.21 0.50 0.02 0.00 0.00 175.26 175.77 3kaz s ARG 99 N -0.58 2.05 -0.25 1.61 3.52 -0.07 -0.25 118.95 124.98 3kaz s ARG 99 Ca -0.00 -0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 54.57 3kaz s ARG 99 Cb -0.05 -1.80 0.01 0.00 -1.56 0.00 0.00 34.95 31.54 3kaz s ARG 99 CO 0.00 0.34 0.97 -1.17 -0.81 0.00 0.00 175.30 174.64 3kaz s LEU 100 N -0.16 4.07 -0.13 -0.88 2.96 -0.72 -2.02 118.68 121.81 3kaz s LEU 100 Ca -0.01 1.19 0.17 0.00 -0.22 0.00 0.00 54.13 55.26 3kaz s LEU 100 Cb -0.12 -3.42 -0.24 0.00 0.50 0.00 0.00 46.19 42.92 3kaz s LEU 100 CO 0.02 -0.66 0.16 -0.62 -1.32 0.00 0.00 176.35 173.93 3kaz n GLU 101 N 6.31 0.98 -3.64 1.98 -0.58 0.02 -0.24 120.64 125.47 3kaz n GLU 101 Ca 0.10 -0.05 -0.07 0.00 -0.42 0.00 0.00 57.16 56.72 3kaz n GLU 101 Cb 0.47 -1.45 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 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 -2.67 -0.79 -0.01 -0.32 5.36 -1.17 -4.88 117.98 113.50 3kaz s PHE 102 Ca -0.08 1.65 0.01 0.00 -0.96 0.00 0.00 56.93 57.54 3kaz s PHE 102 Cb 0.07 0.46 0.01 0.00 -0.34 0.00 0.00 43.02 43.21 3kaz s PHE 102 CO 0.74 -0.39 -0.01 0.14 -1.46 0.00 0.00 175.22 174.24 3kaz s VAL 103 N 1.19 0.14 -0.23 3.12 -7.23 -1.26 -0.57 120.40 115.57 3kaz s VAL 103 Ca -0.07 -0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.06 3kaz s VAL 103 Cb -0.05 -0.15 0.07 0.00 0.56 0.00 0.00 36.38 36.81 3kaz s VAL 103 CO -0.14 0.06 0.00 -0.62 -0.31 0.00 0.00 175.10 174.10 3kaz s ASP 104 N 0.22 3.50 0.48 4.85 -1.08 0.61 -4.99 116.67 120.26 3kaz s ASP 104 Ca -0.02 -1.10 0.28 0.00 -0.52 0.00 0.00 52.55 51.19 3kaz s ASP 104 Cb -0.04 -0.91 0.91 0.00 -1.46 0.00 0.00 42.92 41.41 3kaz s ASP 104 CO -0.01 -0.29 1.81 0.44 0.52 0.00 0.00 175.17 177.65 3kaz h ASP 105 N 8.08 0.00 0.09 -0.34 5.19 -1.97 -0.43 116.42 127.04 3kaz h ASP 105 Ca -0.16 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3kaz h ASP 105 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 3kaz h ASP 105 CO 0.39 0.07 -0.04 -0.78 -3.12 0.00 0.00 179.24 175.76 3kaz h ASP 106 N 0.00 -0.10 0.04 6.45 1.82 -1.96 -3.31 116.42 119.36 3kaz h ASP 106 Ca -0.00 -0.49 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 3kaz h ASP 106 Cb 0.75 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.79 3kaz h ASP 106 CO 0.01 0.52 -0.09 1.41 -1.61 0.00 0.00 179.24 179.48 3kaz n HIS 107 N -4.84 0.00 -3.50 0.28 8.25 -1.23 -4.97 115.22 109.21 3kaz n HIS 107 Ca -0.08 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.14 3kaz n HIS 107 Cb 0.29 -0.03 0.05 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 0.16 -1.58 -5.01 -0.41 1.74 -0.22 -4.40 116.66 106.94 3kaz n ARG 108 Ca 0.16 0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 57.61 3kaz n ARG 108 Cb 0.40 -4.75 -0.17 0.00 -1.02 0.00 0.00 32.46 26.93 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 -3.40 1.72 -0.01 1.55 1.01 -0.89 -1.04 120.40 119.34 3kaz s VAL 109 Ca 0.44 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3kaz s VAL 109 Cb -0.12 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 3kaz s VAL 109 CO 0.81 0.48 -0.07 -0.22 0.00 0.00 0.00 175.10 176.11 3kaz s LEU 110 N 0.19 1.97 -0.02 3.92 0.20 0.14 -0.28 118.68 124.80 3kaz s LEU 110 Ca -0.10 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.61 3kaz s LEU 110 Cb -0.15 -0.38 -0.00 0.00 -0.43 0.00 0.00 46.19 45.23 3kaz s LEU 110 CO 0.05 0.08 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.56 3kaz s SER 111 N -0.11 1.01 0.21 3.68 0.15 0.27 -0.41 113.70 118.50 3kaz s SER 111 Ca 0.02 -0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.51 3kaz s SER 111 Cb -0.04 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 3kaz s SER 111 CO -0.00 0.07 0.10 0.72 1.20 0.00 0.00 173.24 175.34 3kaz s PHE 112 N 0.03 1.27 0.00 3.44 -0.12 -0.56 -0.80 117.98 121.24 3kaz s PHE 112 Ca -0.00 -1.28 -0.10 0.00 -0.05 0.00 0.00 56.93 55.50 3kaz s PHE 112 Cb -0.06 -0.68 0.01 0.00 -0.63 0.00 0.00 43.02 41.66 3kaz s PHE 112 CO -0.00 -0.50 0.20 -0.98 -0.05 0.00 0.00 175.22 173.90 3kaz s ARG 113 N -4.09 0.58 0.07 1.99 1.70 -0.85 -0.87 118.95 117.47 3kaz s ARG 113 Ca 0.36 -0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 3kaz s ARG 113 Cb 0.07 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 3kaz s ARG 113 CO 0.11 -0.15 1.05 0.08 -1.08 0.00 0.00 175.30 175.31 3kaz s VAL 114 N -1.57 4.43 -0.20 4.99 1.01 0.67 -0.90 120.40 128.83 3kaz s VAL 114 Ca -0.13 1.84 -0.00 0.00 0.00 0.00 0.00 61.98 63.69 3kaz s VAL 114 Cb -0.06 -4.18 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 3kaz s VAL 114 CO 0.02 0.20 -0.19 0.55 0.00 0.00 0.00 175.10 175.68 3kaz n VAL 115 N 3.42 1.14 -3.99 2.92 3.14 -0.25 -4.63 118.33 120.09 3kaz n VAL 115 Ca 0.05 -0.42 -0.09 0.00 -2.96 0.00 0.00 64.34 60.92 3kaz n VAL 115 Cb 0.49 -1.29 -0.08 0.00 -1.06 0.00 0.00 33.84 31.90 3kaz n VAL 115 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3kaz s GLY 116 N -5.85 0.52 0.00 7.55 0.00 -1.19 -4.96 107.32 103.39 3kaz s GLY 116 Ca -0.27 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3kaz s GLY 116 CO 0.45 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 173.20 3kaz n GLY 117 N -0.15 2.91 3.70 0.20 0.00 -1.26 -0.90 105.19 109.70 3kaz n GLY 117 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3kaz n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kaz s GLU 118 N -0.21 4.43 0.00 1.61 2.56 -1.26 -4.55 118.70 121.29 3kaz s GLU 118 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 54.97 56.64 3kaz s GLU 118 Cb 0.00 -3.43 0.00 0.00 2.00 0.00 0.00 34.13 32.70 3kaz s GLU 118 CO 0.00 -0.27 0.00 0.72 -0.56 0.00 0.00 175.26 175.15 3kaz n HIS 119 N 4.29 0.00 -0.05 5.30 8.25 -1.26 -4.58 115.22 127.17 3kaz n HIS 119 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 3kaz n HIS 119 Cb 0.47 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.51 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 0.28 -2.46 -0.41 3.08 -1.97 -3.34 114.38 109.55 3kaz h ARG 120 Ca 0.00 -0.13 -0.67 0.00 0.07 0.00 0.00 59.98 59.25 3kaz h ARG 120 Cb 0.00 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 3kaz h ARG 120 CO 0.00 0.65 1.90 1.28 -1.07 0.00 0.00 179.97 182.73 3kaz n LEU 121 N -4.65 7.63 -4.87 3.04 4.77 -1.26 -4.44 117.00 117.22 3kaz n LEU 121 Ca -0.06 -4.64 -0.31 0.00 -0.03 0.00 0.00 56.01 50.97 3kaz n LEU 121 Cb 0.31 -1.34 0.02 0.00 -2.33 0.00 0.00 43.42 40.08 3kaz n LEU 121 CO 0.38 1.98 0.72 -0.75 -1.33 0.00 0.00 177.39 178.39 3kaz s LYS 122 N -1.15 3.47 -1.64 3.23 2.47 -1.26 -3.86 119.74 121.01 3kaz s LYS 122 Ca 0.56 0.70 -0.03 0.00 -1.56 0.00 0.00 55.97 55.64 3kaz s LYS 122 Cb 0.24 -2.07 0.00 0.00 -1.46 0.00 0.00 37.83 34.54 3kaz s LYS 122 CO -0.12 -0.65 0.41 0.09 0.16 0.00 0.00 175.35 175.24 3kaz n ASN 123 N -2.79 -6.08 -4.70 1.43 4.13 -1.26 -1.79 115.26 104.20 3kaz n ASN 123 Ca 0.06 -0.20 -0.42 0.00 1.68 0.00 0.00 54.58 55.70 3kaz n ASN 123 Cb 0.55 -4.96 -0.03 0.00 -1.54 0.00 0.00 39.78 33.80 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 -3.14 2.91 -0.01 3.10 5.04 -1.25 -4.37 117.35 119.64 3kaz s TYR 124 Ca 0.21 0.69 0.02 0.00 -2.44 0.00 0.00 57.07 55.55 3kaz s TYR 124 Cb -0.09 -3.80 -0.01 0.00 0.35 0.00 0.00 41.96 38.41 3kaz s TYR 124 CO 0.25 -3.00 -0.07 0.21 -1.34 0.00 0.00 175.55 171.60 3kaz s LYS 125 N 1.78 0.58 0.04 4.97 2.20 -0.60 -0.24 119.74 128.48 3kaz s LYS 125 Ca 0.68 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 3kaz s LYS 125 Cb -0.38 -0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 35.35 3kaz s LYS 125 CO 0.30 0.15 -0.02 -1.54 -0.36 0.00 0.00 175.35 173.88 3kaz s SER 126 N -0.16 0.40 -0.09 1.43 1.04 -0.05 -1.31 113.70 114.96 3kaz s SER 126 Ca 0.03 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.64 3kaz s SER 126 Cb -0.03 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.28 3kaz s SER 126 CO -0.00 -0.52 -0.15 -0.69 0.98 0.00 0.00 173.24 172.86 3kaz s VAL 127 N -3.19 1.40 -0.05 5.02 1.01 -0.58 -1.49 120.40 122.52 3kaz s VAL 127 Ca 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3kaz s VAL 127 Cb 0.03 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3kaz s VAL 127 CO -0.07 0.42 -0.21 -0.89 0.00 0.00 0.00 175.10 174.34 3kaz s THR 128 N 0.82 1.74 0.01 3.92 2.01 0.45 -1.36 115.64 123.23 3kaz s THR 128 Ca -0.11 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.05 3kaz s THR 128 Cb -0.15 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 3kaz s THR 128 CO 0.01 0.49 -0.15 -0.94 -0.69 0.00 0.00 174.62 173.35 3kaz s SER 129 N -0.12 1.72 -0.16 3.53 1.04 -0.29 -0.68 113.70 118.75 3kaz s SER 129 Ca -0.02 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3kaz s SER 129 Cb -0.12 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.85 3kaz s SER 129 CO 0.02 0.12 -0.17 -0.69 0.98 0.00 0.00 173.24 173.50 3kaz s VAL 130 N -0.57 2.44 -0.08 5.02 1.01 -0.21 -1.31 120.40 126.71 3kaz s VAL 130 Ca 0.04 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3kaz s VAL 130 Cb -0.07 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3kaz s VAL 130 CO 0.00 0.52 -0.09 0.20 0.00 0.00 0.00 175.10 175.73 3kaz s ASN 131 N 0.94 1.76 0.07 3.32 -0.87 -0.36 -4.62 114.94 115.19 3kaz s ASN 131 Ca -0.03 -0.27 0.02 0.00 -1.57 0.00 0.00 52.86 51.01 3kaz s ASN 131 Cb -0.15 -0.76 -0.04 0.00 -0.02 0.00 0.00 41.25 40.28 3kaz s ASN 131 CO -0.03 -0.03 0.15 -0.70 -2.57 0.00 0.00 177.10 173.91 3kaz s GLU 132 N 1.07 3.16 0.26 -0.60 2.12 -1.26 -0.19 118.70 123.26 3kaz s GLU 132 Ca -0.07 -0.57 -0.07 0.00 0.36 0.00 0.00 54.97 54.61 3kaz s GLU 132 Cb -0.14 -2.88 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 3kaz s GLU 132 CO -0.01 0.58 0.38 -0.06 -0.54 0.00 0.00 175.26 175.62 3kaz s PHE 133 N -1.46 0.75 0.07 5.30 0.08 0.58 -4.97 117.98 118.32 3kaz s PHE 133 Ca 0.32 -1.04 0.09 0.00 0.12 0.00 0.00 56.93 56.42 3kaz s PHE 133 Cb -0.12 -0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.21 3kaz s PHE 133 CO 0.25 -0.93 -0.24 -1.17 -0.10 0.00 0.00 175.22 173.04 3kaz s LEU 134 N -3.11 2.21 -0.31 -0.37 2.96 -1.26 -0.86 118.68 117.93 3kaz s LEU 134 Ca 0.29 -0.61 -0.21 0.00 -0.22 0.00 0.00 54.13 53.39 3kaz s LEU 134 Cb 0.02 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.59 3kaz s LEU 134 CO 0.13 0.18 0.65 0.20 -1.32 0.00 0.00 176.35 176.19 3kaz s ASN 135 N -1.45 6.50 0.26 3.68 -0.87 -0.18 -4.92 114.94 117.95 3kaz s ASN 135 Ca 0.10 0.40 -0.03 0.00 -1.57 0.00 0.00 52.86 51.76 3kaz s ASN 135 Cb -0.10 -2.34 0.44 0.00 -0.02 0.00 0.00 41.25 39.24 3kaz s ASN 135 CO 0.03 -0.51 1.82 1.56 -2.57 0.00 0.00 177.10 177.43 3kaz h GLN 136 N 8.23 0.83 0.00 -0.60 1.08 -1.96 0.08 115.11 122.78 3kaz h GLN 136 Ca -0.26 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 3kaz h GLN 136 Cb 1.11 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 3kaz h GLN 136 CO 0.82 0.55 0.00 -3.47 -0.95 0.00 0.00 178.83 175.78 3kaz n ASP 137 N -4.70 0.00 0.27 1.46 2.03 -1.26 -3.82 116.55 110.53 3kaz n ASP 137 Ca 0.15 0.22 0.17 0.00 0.52 0.00 0.00 54.79 55.85 3kaz n ASP 137 Cb 0.30 0.00 0.70 0.00 -0.72 0.00 0.00 41.12 41.40 3kaz n ASP 137 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kaz h SER 138 N 0.00 0.00 -0.05 1.67 4.64 -1.99 -3.46 113.55 114.36 3kaz h SER 138 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3kaz h SER 138 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3kaz h SER 138 CO 0.00 0.00 -0.02 0.61 -0.87 0.00 0.00 176.83 176.55 3kaz n GLY 139 N -0.04 0.49 3.92 -0.77 0.00 0.02 -5.04 105.19 103.76 3kaz n GLY 139 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.96 3.57 0.35 1.61 3.01 -1.25 -4.84 119.74 121.23 3kaz s LYS 140 Ca 0.00 -0.18 -0.08 0.00 -1.01 0.00 0.00 55.97 54.70 3kaz s LYS 140 Cb 0.00 -2.76 -0.06 0.00 -1.01 0.00 0.00 37.83 34.01 3kaz s LYS 140 CO 0.00 0.32 0.67 0.08 0.51 0.00 0.00 175.35 176.93 3kaz s VAL 141 N -1.95 4.90 0.22 3.17 1.01 -1.26 -1.01 120.40 125.48 3kaz s VAL 141 Ca 0.41 0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 3kaz s VAL 141 Cb -0.11 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 3kaz s VAL 141 CO 0.29 -0.43 0.43 -0.72 0.00 0.00 0.00 175.10 174.67 3kaz s TYR 142 N -2.24 0.37 -0.02 5.22 -0.85 -0.04 -4.29 117.35 115.50 3kaz s TYR 142 Ca 0.48 -0.72 0.06 0.00 -0.52 0.00 0.00 57.07 56.36 3kaz s TYR 142 Cb -0.10 0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.34 3kaz s TYR 142 CO 0.31 -0.91 -0.19 0.99 -1.52 0.00 0.00 175.55 174.22 3kaz s THR 143 N -4.00 1.54 -0.21 -3.49 2.01 0.42 -0.31 115.64 111.60 3kaz s THR 143 Ca 0.21 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 3kaz s THR 143 Cb 0.00 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 3kaz s THR 143 CO 0.06 0.44 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.69 3kaz s VAL 144 N -0.33 3.36 -0.17 3.82 1.01 0.74 -0.24 120.40 128.58 3kaz s VAL 144 Ca 0.04 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3kaz s VAL 144 Cb -0.09 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3kaz s VAL 144 CO 0.00 0.43 0.11 -0.69 0.00 0.00 0.00 175.10 174.96 3kaz s VAL 145 N 1.35 5.23 -0.10 2.92 1.01 -0.20 -1.22 120.40 129.40 3kaz s VAL 145 Ca 0.04 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3kaz s VAL 145 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3kaz s VAL 145 CO -0.03 0.49 -0.14 -0.76 0.00 0.00 0.00 175.10 174.67 3kaz s LEU 146 N 0.03 2.71 -0.07 3.92 1.43 -0.43 -1.29 118.68 124.98 3kaz s LEU 146 Ca 0.08 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3kaz s LEU 146 Cb -0.12 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.54 3kaz s LEU 146 CO -0.00 0.24 -0.05 -0.70 0.23 0.00 0.00 176.35 176.07 3kaz s GLU 147 N -0.09 1.08 0.07 1.70 2.12 0.24 -1.13 118.70 122.69 3kaz s GLU 147 Ca -0.02 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.24 3kaz s GLU 147 Cb -0.14 -1.17 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 3kaz s GLU 147 CO 0.04 -0.19 -0.11 -1.54 -0.54 0.00 0.00 175.26 172.92 3kaz s SER 148 N 1.42 4.34 0.14 -1.70 1.04 -0.46 0.45 113.70 118.93 3kaz s SER 148 Ca -0.02 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3kaz s SER 148 Cb -0.13 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 65.09 3kaz s SER 148 CO -0.03 0.22 0.03 -0.72 0.98 0.00 0.00 173.24 173.71 3kaz s TYR 149 N -1.10 0.97 -0.00 5.02 -0.85 -0.82 -1.52 117.35 119.04 3kaz s TYR 149 Ca 0.19 -1.14 0.01 0.00 -0.52 0.00 0.00 57.07 55.61 3kaz s TYR 149 Cb -0.11 -0.55 -0.00 0.00 0.38 0.00 0.00 41.96 41.67 3kaz s TYR 149 CO 0.10 -0.39 -0.05 -0.08 -1.52 0.00 0.00 175.55 173.62 3kaz s THR 150 N -3.89 0.37 0.05 -3.49 -1.32 -0.42 -2.44 115.64 104.49 3kaz s THR 150 Ca 0.23 -0.21 -0.15 0.00 -1.21 0.00 0.00 61.69 60.35 3kaz s THR 150 Cb 0.07 -0.31 0.03 0.00 -1.51 0.00 0.00 72.50 70.77 3kaz s THR 150 CO 0.02 0.10 0.34 0.54 -2.21 0.00 0.00 174.62 173.41 3kaz s VAL 151 N -0.12 0.07 -0.17 5.08 0.11 -0.72 -1.56 120.40 123.09 3kaz s VAL 151 Ca 0.02 -0.61 -0.26 0.00 -2.93 0.00 0.00 61.98 58.20 3kaz s VAL 151 Cb -0.02 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3kaz s VAL 151 CO -0.00 -0.34 0.86 -1.81 -3.33 0.00 0.00 175.10 170.49 3kaz s ASP 152 N -2.09 6.99 -0.15 3.54 1.01 -0.74 -0.60 116.67 124.63 3kaz s ASP 152 Ca -0.05 1.22 -0.29 0.00 0.71 0.00 0.00 52.55 54.14 3kaz s ASP 152 Cb -0.01 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 3kaz s ASP 152 CO -0.04 -0.43 1.98 -0.63 0.21 0.00 0.00 175.17 176.27 3kaz s ILE 153 N 2.26 3.20 0.88 0.77 1.01 -0.36 -4.38 121.20 124.57 3kaz s ILE 153 Ca 0.39 0.22 -0.13 0.00 0.00 0.00 0.00 60.65 61.13 3kaz s ILE 153 Cb -0.17 -3.21 0.12 0.00 0.01 0.00 0.00 42.46 39.22 3kaz s ILE 153 CO 0.12 -0.09 1.17 -2.16 0.00 0.00 0.00 174.94 173.98 3kaz s PRO 154 N 5.37 1.37 -0.21 2.79 0.04 -1.26 -4.93 135.00 138.17 3kaz s PRO 154 Ca 0.89 0.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 3kaz s PRO 154 Cb -0.33 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3kaz s PRO 154 CO 0.36 -2.01 1.60 -1.21 0.04 0.00 0.00 177.00 175.78 3kaz s GLU 155 N -5.48 3.84 0.00 4.56 0.41 -1.26 -2.56 118.70 118.21 3kaz s GLU 155 Ca 0.64 1.69 0.00 0.00 -0.41 0.00 0.00 54.97 56.89 3kaz s GLU 155 Cb -0.12 -4.02 0.00 0.00 -1.78 0.00 0.00 34.13 28.21 3kaz s GLU 155 CO 0.51 -1.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.46 3kaz n GLY 156 N 4.58 2.16 3.95 -1.39 0.00 -1.26 -5.10 105.19 108.12 3kaz n GLY 156 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.77 6.33 0.57 1.61 -0.87 -1.06 -5.11 114.94 114.64 3kaz s ASN 157 Ca 0.00 0.24 -0.04 0.00 -1.57 0.00 0.00 52.86 51.48 3kaz s ASN 157 Cb 0.00 -1.94 0.01 0.00 -0.02 0.00 0.00 41.25 39.31 3kaz s ASN 157 CO 0.00 -0.10 0.86 -0.89 -2.57 0.00 0.00 177.10 174.40 3kaz s THR 158 N -2.00 3.53 0.22 1.60 2.01 -1.26 -4.84 115.64 114.90 3kaz s THR 158 Ca 0.36 -0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 3kaz s THR 158 Cb -0.10 -3.39 0.15 0.00 0.01 0.00 0.00 72.50 69.18 3kaz s THR 158 CO 0.31 -0.37 1.78 -0.08 -0.69 0.00 0.00 174.62 175.57 3kaz h GLU 159 N -0.08 1.13 -0.00 4.92 4.81 -1.99 -3.00 114.58 120.37 3kaz h GLU 159 Ca -0.45 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 58.56 3kaz h GLU 159 Cb 1.26 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3kaz h GLU 159 CO 0.59 0.94 0.00 0.93 -0.73 0.00 0.00 179.01 180.74 3kaz h GLU 160 N 1.10 0.00 -0.62 1.92 5.08 -1.99 -2.03 114.58 118.04 3kaz h GLU 160 Ca 0.25 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3kaz h GLU 160 Cb 0.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3kaz h GLU 160 CO -0.01 0.15 0.25 -0.44 -1.00 0.00 0.00 179.01 177.95 3kaz h ASP 161 N -0.14 0.86 0.04 1.42 5.19 -1.96 -0.36 116.42 121.47 3kaz h ASP 161 Ca 0.00 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3kaz h ASP 161 Cb 0.15 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.43 3kaz h ASP 161 CO -0.00 0.80 -0.02 0.71 -3.12 0.00 0.00 179.24 177.61 3kaz h THR 162 N 0.87 1.27 -0.42 0.35 1.35 -1.55 -1.63 112.91 113.15 3kaz h THR 162 Ca 0.21 -1.03 0.06 0.00 -0.55 0.00 0.00 66.41 65.10 3kaz h THR 162 Cb 0.21 1.94 -0.05 0.00 -1.73 0.00 0.00 68.15 68.52 3kaz h THR 162 CO -0.02 0.26 0.10 0.50 -0.25 0.00 0.00 175.52 176.12 3kaz h LYS 163 N -0.51 0.24 -0.50 4.72 3.64 -1.33 0.32 116.57 123.14 3kaz h LYS 163 Ca -0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3kaz h LYS 163 Cb 0.47 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3kaz h LYS 163 CO 0.01 0.16 0.30 1.98 -2.27 0.00 0.00 179.45 179.63 3kaz h MET 164 N 0.24 0.58 0.49 1.90 4.05 -1.01 0.17 114.93 121.36 3kaz h MET 164 Ca 0.20 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 3kaz h MET 164 Cb 0.23 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3kaz h MET 164 CO -0.24 0.38 -0.24 0.35 0.23 0.00 0.00 176.91 177.39 3kaz h PHE 165 N 0.60 -0.61 -0.76 1.39 3.57 -0.86 -2.28 116.94 117.98 3kaz h PHE 165 Ca 0.20 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3kaz h PHE 165 Cb 0.01 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3kaz h PHE 165 CO -0.06 -0.30 0.25 0.28 -2.23 0.00 0.00 178.31 176.24 3kaz h VAL 166 N -0.86 1.26 -0.84 1.41 2.07 -0.83 -1.60 116.25 116.87 3kaz h VAL 166 Ca -0.07 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 66.67 3kaz h VAL 166 Cb 0.59 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 3kaz h VAL 166 CO 0.11 0.36 0.46 0.44 0.02 0.00 0.00 177.57 178.96 3kaz h ASP 167 N 1.13 0.63 -0.19 0.57 3.32 -0.69 0.08 116.42 121.26 3kaz h ASP 167 Ca 0.25 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 3kaz h ASP 167 Cb 0.29 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kaz h ASP 167 CO -0.01 0.33 -0.02 0.74 -1.72 0.00 0.00 179.24 178.55 3kaz h THR 168 N 0.74 1.27 -0.31 0.35 2.02 -0.69 -1.11 112.91 115.18 3kaz h THR 168 Ca 0.42 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.66 3kaz h THR 168 Cb 0.47 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3kaz h THR 168 CO -0.29 0.29 0.19 0.58 0.37 0.00 0.00 175.52 176.66 3kaz h VAL 169 N 0.10 1.05 -0.46 3.16 2.07 -1.07 -0.36 116.25 120.73 3kaz h VAL 169 Ca 0.05 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3kaz h VAL 169 Cb 0.44 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3kaz h VAL 169 CO 0.01 0.07 0.12 -0.37 0.02 0.00 0.00 177.57 177.43 3kaz h VAL 170 N 0.39 1.23 -0.62 2.57 -1.51 -0.90 -1.29 116.25 116.13 3kaz h VAL 170 Ca 0.12 -0.80 -0.03 0.00 -1.23 0.00 0.00 66.70 64.75 3kaz h VAL 170 Cb -0.02 0.88 -0.03 0.00 -2.13 0.00 0.00 31.29 29.99 3kaz h VAL 170 CO -0.04 0.29 0.25 0.50 -1.23 0.00 0.00 177.57 177.34 3kaz h LYS 171 N 0.62 0.92 -0.59 5.19 1.63 -1.12 -0.45 116.57 122.76 3kaz h LYS 171 Ca 0.15 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3kaz h LYS 171 Cb 0.31 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3kaz h LYS 171 CO 0.00 0.77 0.38 -0.07 -3.45 0.00 0.00 179.45 177.08 3kaz h LEU 172 N 0.86 0.69 -0.82 5.20 3.38 -0.83 -0.73 115.31 123.06 3kaz h LEU 172 Ca 0.21 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3kaz h LEU 172 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3kaz h LEU 172 CO -0.02 0.52 0.29 0.78 0.09 0.00 0.00 178.44 180.10 3kaz h ASN 173 N 0.80 1.07 0.05 -0.43 2.35 -1.04 -1.11 115.58 117.28 3kaz h ASN 173 Ca 0.21 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3kaz h ASN 173 Cb -0.06 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 3kaz h ASN 173 CO -0.04 0.96 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.42 3kaz h LEU 174 N 1.13 0.27 -0.55 1.61 3.38 -0.65 -0.67 115.31 119.82 3kaz h LEU 174 Ca 0.25 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3kaz h LEU 174 Cb 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kaz h LEU 174 CO -0.02 0.49 -0.31 1.56 0.09 0.00 0.00 178.44 180.25 3kaz h GLN 175 N 0.26 0.83 -0.46 1.13 4.20 -0.66 -0.75 115.11 119.66 3kaz h GLN 175 Ca 0.05 -0.39 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 3kaz h GLN 175 Cb 0.51 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3kaz h GLN 175 CO 0.03 1.02 0.16 -0.22 -0.67 0.00 0.00 178.83 179.16 3kaz h LYS 176 N 0.70 0.71 -0.69 1.46 3.64 -0.86 -1.02 116.57 120.51 3kaz h LYS 176 Ca 0.08 -0.14 0.11 0.00 -1.27 0.00 0.00 60.65 59.43 3kaz h LYS 176 Cb 0.86 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.49 3kaz h LYS 176 CO 0.08 0.66 0.28 1.25 -2.27 0.00 0.00 179.45 179.45 3kaz h LEU 177 N 0.61 0.30 -0.51 5.20 5.85 -1.00 -0.99 115.31 124.76 3kaz h LEU 177 Ca 0.15 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3kaz h LEU 177 Cb 0.24 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3kaz h LEU 177 CO -0.01 0.15 0.33 1.23 -0.34 0.00 0.00 178.44 179.80 3kaz h GLY 178 N 0.47 0.73 0.98 3.75 0.00 -0.50 0.44 103.07 108.94 3kaz h GLY 178 Ca 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3kaz h GLY 178 CO -0.33 0.27 0.28 -2.08 0.00 0.00 0.00 176.54 174.68 3kaz h VAL 179 N 0.69 1.18 -0.74 4.60 2.07 -0.90 0.09 116.25 123.24 3kaz h VAL 179 Ca 0.19 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3kaz h VAL 179 Cb -0.06 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3kaz h VAL 179 CO -0.04 0.19 0.27 0.00 0.02 0.00 0.00 177.57 178.02 3kaz h ALA 180 N 1.12 0.97 0.00 1.67 0.00 -0.79 -0.62 119.26 121.61 3kaz h ALA 180 Ca 0.18 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3kaz h ALA 180 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kaz h ALA 180 CO -0.03 0.61 -0.60 0.00 0.00 0.00 0.00 179.25 179.23 3kaz h ALA 181 N 1.13 0.91 0.00 0.00 0.00 -0.58 -1.05 119.26 119.68 3kaz h ALA 181 Ca 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3kaz h ALA 181 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kaz h ALA 181 CO -0.02 0.75 -1.02 -2.37 0.00 0.00 0.00 179.25 176.60 3kaz n THR 182 N -3.69 0.13 -0.68 0.00 5.66 -0.01 -4.74 114.28 110.95 3kaz n THR 182 Ca -0.01 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 3kaz n THR 182 Cb 0.63 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 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 -1.89 0.00 -4.82 1.09 3.41 -0.26 -5.06 113.62 106.09 3kaz n SER 183 Ca 0.02 -0.20 -0.25 0.00 -0.26 0.00 0.00 58.87 58.18 3kaz n SER 183 Cb 0.42 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 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 3.62 0.59 7.33 0.00 -0.40 -5.01 121.76 127.89 3kaz s ALA 184 Ca 0.00 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 3kaz s ALA 184 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 3kaz s ALA 184 CO 0.00 0.42 1.28 -2.14 0.00 0.00 0.00 175.76 175.32 3kaz s PRO 185 N -3.36 2.92 0.54 0.00 0.02 -1.26 -4.82 135.00 129.03 3kaz s PRO 185 Ca 0.32 2.03 -0.19 0.00 0.02 0.00 0.00 61.00 63.18 3kaz s PRO 185 Cb -0.09 -2.03 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 3kaz s PRO 185 CO 0.24 -1.30 1.09 -1.64 -0.33 0.00 0.00 177.00 175.06 3kaz s MET 186 N -3.18 3.45 -0.64 5.54 -1.94 -1.26 -5.00 119.30 116.27 3kaz s MET 186 Ca 0.77 1.48 0.05 0.00 -1.71 0.00 0.00 55.69 56.28 3kaz s MET 186 Cb -0.36 -2.03 0.17 0.00 2.01 0.00 0.00 34.83 34.62 3kaz s MET 186 CO 0.40 -0.74 0.45 -1.01 -0.01 0.00 0.00 175.02 174.11 3kaz s HIS 187 N -1.94 3.04 -2.83 -0.03 3.76 -1.26 -5.23 115.29 110.80 3kaz s HIS 187 Ca 0.70 -3.12 0.25 0.00 -0.15 0.00 0.00 55.06 52.75 3kaz s HIS 187 Cb -0.21 -2.34 0.48 0.00 1.11 0.00 0.00 32.58 31.63 3kaz s HIS 187 CO 0.27 -0.61 1.43 -0.25 -0.85 0.00 0.00 174.74 174.72