#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 -0.75 -0.01 -1.46 4.81 -2.01 -1.80 114.58 113.36 3kaz h GLU 14 Ca 0.00 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3kaz h GLU 14 Cb 0.00 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3kaz h GLU 14 CO 0.00 -0.50 -0.17 1.96 -0.73 0.00 0.00 179.01 179.57 3kaz h GLN 15 N -0.78 0.01 -0.42 1.92 4.20 -2.05 -1.39 115.11 116.59 3kaz h GLN 15 Ca -0.07 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 3kaz h GLN 15 Cb 0.63 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3kaz h GLN 15 CO 0.09 0.18 -0.31 0.87 -0.67 0.00 0.00 178.83 178.98 3kaz h LYS 16 N 0.01 0.95 -0.39 1.46 1.57 -1.97 -1.89 116.57 116.32 3kaz h LYS 16 Ca 0.00 -0.46 -0.12 0.00 -1.87 0.00 0.00 60.65 58.19 3kaz h LYS 16 Cb 0.30 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3kaz h LYS 16 CO 0.02 1.13 -0.25 1.15 -0.57 0.00 0.00 179.45 180.93 3kaz h THR 17 N 0.78 1.27 0.00 -0.16 2.02 -0.71 -3.26 112.91 112.86 3kaz h THR 17 Ca 0.08 -1.38 -0.11 0.00 0.77 0.00 0.00 66.41 65.77 3kaz h THR 17 Cb 0.90 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3kaz h THR 17 CO 0.08 0.46 -0.54 -0.07 0.37 0.00 0.00 175.52 175.82 3kaz h LEU 18 N 0.68 0.00 -0.38 2.58 3.38 -1.21 -3.35 115.31 117.01 3kaz h LEU 18 Ca 0.09 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3kaz h LEU 18 Cb 0.77 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 3kaz h LEU 18 CO 0.06 0.54 -0.29 -0.33 0.09 0.00 0.00 178.44 178.52 3kaz h GLU 19 N 0.00 -0.22 0.00 1.13 5.08 -1.38 0.61 114.58 119.80 3kaz h GLU 19 Ca -0.01 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3kaz h GLU 19 Cb 1.38 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 3kaz h GLU 19 CO 0.07 -0.14 -0.25 -1.00 -1.00 0.00 0.00 179.01 176.68 3kaz h PRO 20 N -0.22 0.00 -0.17 2.33 0.13 -1.75 -1.49 132.00 130.83 3kaz h PRO 20 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 3kaz h PRO 20 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 3kaz h PRO 20 CO -0.51 0.25 -0.04 0.28 -0.23 0.00 0.00 178.00 177.75 3kaz h VAL 21 N 0.00 1.29 -0.31 1.56 2.07 -1.30 -1.09 116.25 118.46 3kaz h VAL 21 Ca -0.00 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3kaz h VAL 21 Cb 0.59 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3kaz h VAL 21 CO 0.03 0.30 0.15 0.40 0.02 0.00 0.00 177.57 178.47 3kaz h ILE 22 N 0.05 0.97 -0.11 4.57 2.04 -0.67 -1.33 117.51 123.03 3kaz h ILE 22 Ca 0.04 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3kaz h ILE 22 Cb 0.48 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3kaz h ILE 22 CO 0.02 0.06 -0.35 0.11 0.00 0.00 0.00 178.15 177.99 3kaz h LYS 23 N 0.31 0.21 0.23 2.37 1.79 -1.20 -1.26 116.57 119.02 3kaz h LYS 23 Ca 0.13 -0.09 -0.34 0.00 -2.18 0.00 0.00 60.65 58.18 3kaz h LYS 23 Cb 0.06 -0.01 0.03 0.00 -1.58 0.00 0.00 32.23 30.73 3kaz h LYS 23 CO -0.10 0.54 -1.54 1.15 -1.08 0.00 0.00 179.45 178.42 3kaz h THR 24 N 0.19 1.18 0.00 -0.16 2.02 -0.73 -3.42 112.91 111.99 3kaz h THR 24 Ca 0.02 -2.63 -0.01 0.00 0.77 0.00 0.00 66.41 64.57 3kaz h THR 24 Cb 0.71 2.96 -0.00 0.00 -1.74 0.00 0.00 68.15 70.08 3kaz h THR 24 CO 0.05 0.82 -1.33 -1.22 0.37 0.00 0.00 175.52 174.21 3kaz n TYR 25 N -3.71 0.00 0.71 3.16 4.02 -0.54 -4.84 117.16 115.96 3kaz n TYR 25 Ca -0.19 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.78 3kaz n TYR 25 Cb 1.08 -0.17 0.03 0.00 -0.02 0.00 0.00 39.34 40.26 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 -1.78 0.00 -3.28 -0.72 8.25 -0.48 -4.91 115.22 112.30 3kaz n HIS 26 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 3kaz n HIS 26 Cb 0.22 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.70 3.97 0.31 -0.41 -0.21 -1.23 -4.83 119.66 115.57 3kaz s GLN 27 Ca 0.16 0.52 0.05 0.00 0.02 0.00 0.00 55.36 56.11 3kaz s GLN 27 Cb 0.13 -2.70 -0.06 0.00 1.00 0.00 0.00 33.01 31.38 3kaz s GLN 27 CO 0.33 0.33 0.02 -0.06 -2.12 0.00 0.00 175.29 173.78 3kaz s PHE 28 N -1.72 1.98 0.54 0.91 0.40 -1.26 -5.12 117.98 113.71 3kaz s PHE 28 Ca 0.46 -0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 55.74 3kaz s PHE 28 Cb -0.13 -1.25 -0.10 0.00 0.51 0.00 0.00 43.02 42.05 3kaz s PHE 28 CO 0.20 0.11 0.43 0.39 0.70 0.00 0.00 175.22 177.05 3kaz n GLU 29 N -0.66 0.45 0.03 0.44 4.71 -1.26 -4.94 120.64 119.41 3kaz n GLU 29 Ca -0.04 0.17 0.10 0.00 -0.01 0.00 0.00 57.16 57.39 3kaz n GLU 29 Cb 0.66 -1.58 0.41 0.00 -1.01 0.00 0.00 31.44 29.92 3kaz n GLU 29 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3kaz n PRO 30 N 0.25 0.05 0.00 3.49 -0.04 -1.26 -4.98 135.00 132.51 3kaz n PRO 30 Ca 0.11 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3kaz n PRO 30 Cb 0.47 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3kaz n PRO 30 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kaz n ASP 31 N -1.67 0.00 0.05 3.54 8.00 -1.26 -4.85 116.55 120.35 3kaz n ASP 31 Ca 0.04 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.67 3kaz n ASP 31 Cb 0.23 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.75 3kaz n ASP 31 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3kaz n PRO 32 N 0.00 0.14 -0.10 -0.24 -0.04 -1.26 -3.35 135.00 130.16 3kaz n PRO 32 Ca 0.00 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 3kaz n PRO 32 Cb 0.00 -1.64 0.28 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.88 0.26 -4.34 0.52 -2.24 -1.26 -4.94 114.28 100.40 3kaz n THR 33 Ca 0.06 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.09 3kaz n THR 33 Cb 0.39 0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.74 1.90 -0.17 4.28 -4.23 -1.21 -1.26 115.64 113.20 3kaz s THR 34 Ca 0.35 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 3kaz s THR 34 Cb 0.20 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 3kaz s THR 34 CO 0.30 -0.25 0.08 0.00 -0.54 0.00 0.00 174.62 174.21 3kaz s THR 36 N 0.10 0.68 0.15 0.00 -4.23 -1.26 -1.68 115.64 109.40 3kaz s THR 36 Ca 0.06 -0.85 -0.22 0.00 -1.18 0.00 0.00 61.69 59.51 3kaz s THR 36 Cb -0.12 -0.67 0.06 0.00 1.34 0.00 0.00 72.50 73.12 3kaz s THR 36 CO 0.00 -0.15 0.55 -0.55 -0.54 0.00 0.00 174.62 173.94 3kaz s SER 37 N -1.10 -0.49 -0.17 3.99 0.15 -0.98 -5.00 113.70 110.11 3kaz s SER 37 Ca -0.04 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.57 3kaz s SER 37 Cb -0.07 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 3kaz s SER 37 CO 0.01 -0.93 -0.18 -0.22 1.20 0.00 0.00 173.24 173.11 3kaz s LEU 38 N -2.72 1.99 -0.11 3.45 2.96 -1.26 -1.94 118.68 121.06 3kaz s LEU 38 Ca 0.01 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 3kaz s LEU 38 Cb -0.00 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 3kaz s LEU 38 CO -0.12 -0.01 0.01 -0.63 -1.32 0.00 0.00 176.35 174.28 3kaz s ILE 39 N 1.30 4.35 -0.09 6.68 1.09 0.62 -4.98 121.20 130.18 3kaz s ILE 39 Ca 0.04 -0.22 0.03 0.00 -1.10 0.00 0.00 60.65 59.40 3kaz s ILE 39 Cb -0.13 -2.85 -0.01 0.00 -1.06 0.00 0.00 42.46 38.40 3kaz s ILE 39 CO -0.11 0.58 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.23 3kaz s THR 40 N -0.60 2.60 -0.05 2.92 2.01 -1.26 -0.51 115.64 120.74 3kaz s THR 40 Ca 0.10 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 3kaz s THR 40 Cb -0.12 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.40 3kaz s THR 40 CO 0.02 0.56 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.91 3kaz s GLN 41 N -0.04 0.66 -0.03 4.92 2.00 0.72 -5.00 119.66 122.88 3kaz s GLN 41 Ca -0.05 0.01 -0.24 0.00 -2.00 0.00 0.00 55.36 53.08 3kaz s GLN 41 Cb -0.14 -0.84 -0.04 0.00 0.80 0.00 0.00 33.01 32.78 3kaz s GLN 41 CO 0.04 -0.18 0.73 0.50 -0.50 0.00 0.00 175.29 175.88 3kaz s ARG 42 N 1.38 4.45 -0.09 1.67 3.52 -1.26 -0.59 118.95 128.04 3kaz s ARG 42 Ca -0.04 0.96 0.02 0.00 -0.13 0.00 0.00 55.73 56.54 3kaz s ARG 42 Cb -0.13 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 3kaz s ARG 42 CO -0.03 0.12 -0.15 0.42 -0.81 0.00 0.00 175.30 174.85 3kaz s ILE 43 N 0.58 1.40 -1.36 4.11 1.01 0.50 -5.00 121.20 122.45 3kaz s ILE 43 Ca 0.39 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 3kaz s ILE 43 Cb -0.19 -1.27 0.11 0.00 0.01 0.00 0.00 42.46 41.12 3kaz s ILE 43 CO 0.20 0.42 2.08 1.41 0.00 0.00 0.00 174.94 179.04 3kaz n HIS 44 N 3.95 3.10 -3.66 3.97 8.25 -1.26 -0.64 115.22 128.93 3kaz n HIS 44 Ca -0.20 -2.87 -0.13 0.00 -0.26 0.00 0.00 57.72 54.26 3kaz n HIS 44 Cb 0.52 -2.18 -0.06 0.00 1.12 0.00 0.00 29.99 29.38 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 1.37 -1.03 0.57 -1.41 0.00 -1.26 -4.74 121.76 115.26 3kaz s ALA 45 Ca 0.44 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.55 3kaz s ALA 45 Cb 0.12 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3kaz s ALA 45 CO -0.04 -0.46 1.18 -2.14 0.00 0.00 0.00 175.76 174.31 3kaz s PRO 46 N -2.45 3.12 0.54 0.00 0.02 -1.26 -3.12 135.00 131.86 3kaz s PRO 46 Ca -0.05 1.76 0.22 0.00 0.02 0.00 0.00 61.00 62.95 3kaz s PRO 46 Cb -0.01 -1.97 1.42 0.00 0.02 0.00 0.00 34.50 33.96 3kaz s PRO 46 CO -0.02 -1.07 2.10 0.00 -0.33 0.00 0.00 177.00 177.68 3kaz h ALA 47 N 1.03 2.10 0.00 -1.55 0.00 -1.93 -0.92 119.26 117.99 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 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kaz h ALA 47 CO 0.56 -0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.20 3kaz h SER 48 N 0.00 0.00 0.08 0.00 4.64 -2.00 0.28 113.55 116.55 3kaz h SER 48 Ca 0.10 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.07 3kaz h SER 48 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 3kaz h SER 48 CO -0.00 0.00 -1.97 0.52 -0.87 0.00 0.00 176.83 174.50 3kaz n VAL 49 N -3.03 1.68 -0.05 0.95 0.31 -0.40 -4.46 118.33 113.32 3kaz n VAL 49 Ca -0.01 -0.51 -0.13 0.00 -0.01 0.00 0.00 64.34 63.67 3kaz n VAL 49 Cb 0.17 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.28 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 -0.20 1.35 -0.64 2.52 2.07 -1.19 -3.33 116.25 116.82 3kaz h VAL 50 Ca -0.45 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 65.81 3kaz h VAL 50 Cb 1.86 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 33.45 3kaz h VAL 50 CO -0.02 0.39 0.33 -0.25 0.02 0.00 0.00 177.57 178.04 3kaz h TRP 51 N -0.01 0.60 0.00 1.57 2.91 -1.19 -2.28 115.95 117.55 3kaz h TRP 51 Ca 0.02 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.06 3kaz h TRP 51 Cb 0.69 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.17 3kaz h TRP 51 CO 0.09 0.26 -0.03 -1.35 -1.03 0.00 0.00 178.44 176.38 3kaz h PRO 52 N 0.60 0.00 -0.32 2.65 0.11 -1.78 0.11 132.00 133.36 3kaz h PRO 52 Ca 0.30 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.26 3kaz h PRO 52 Cb 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3kaz h PRO 52 CO -0.21 0.03 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.15 3kaz h LEU 53 N 0.00 0.83 0.17 2.35 -0.00 -1.57 -2.21 115.31 114.87 3kaz h LEU 53 Ca -0.00 -0.37 -0.31 0.00 -0.00 0.00 0.00 57.88 57.20 3kaz h LEU 53 Cb 0.07 -0.23 0.03 0.00 -0.00 0.00 0.00 40.66 40.53 3kaz h LEU 53 CO 0.00 1.12 -1.34 0.40 -0.00 0.00 0.00 178.44 178.62 3kaz h ILE 54 N 0.64 1.35 0.00 1.22 2.04 -1.13 -3.35 117.51 118.27 3kaz h ILE 54 Ca 0.05 -2.73 -0.07 0.00 1.00 0.00 0.00 64.86 63.11 3kaz h ILE 54 Cb 0.94 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.92 3kaz h ILE 54 CO 0.09 0.81 -0.34 -0.09 0.00 0.00 0.00 178.15 178.63 3kaz h ARG 55 N 0.16 0.00 -5.94 2.37 9.65 -0.85 -3.39 114.38 116.39 3kaz h ARG 55 Ca -0.20 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 58.21 3kaz h ARG 55 Cb 2.03 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 30.53 3kaz h ARG 55 CO 0.24 0.34 1.16 0.50 2.80 0.00 0.00 179.97 185.01 3kaz s ARG 56 N -3.36 3.13 0.42 0.20 6.06 -0.84 -4.78 118.95 119.79 3kaz s ARG 56 Ca 0.02 -0.74 0.12 0.00 -2.50 0.00 0.00 55.73 52.63 3kaz s ARG 56 Cb 0.09 -5.22 0.90 0.00 0.06 0.00 0.00 34.95 30.79 3kaz s ARG 56 CO 0.69 -2.72 1.96 0.35 -2.50 0.00 0.00 175.30 173.07 3kaz h PHE 57 N 10.48 0.10 -0.01 5.12 3.57 -1.86 -1.10 116.94 133.24 3kaz h PHE 57 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3kaz h PHE 57 Cb 1.01 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3kaz h PHE 57 CO 1.25 0.26 -0.00 -3.47 -2.23 0.00 0.00 178.31 174.12 3kaz n ASP 58 N -4.30 0.55 -2.46 0.41 2.03 -1.26 -4.23 116.55 107.28 3kaz n ASP 58 Ca -0.02 -1.15 -0.19 0.00 0.52 0.00 0.00 54.79 53.96 3kaz n ASP 58 Cb 0.26 -0.01 0.02 0.00 -0.72 0.00 0.00 41.12 40.67 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 -0.59 3.60 0.27 1.67 4.05 -0.42 -4.46 115.26 119.39 3kaz n ASN 59 Ca 0.22 -3.28 0.17 0.00 0.45 0.00 0.00 54.58 52.14 3kaz n ASN 59 Cb 0.20 -0.45 0.70 0.00 1.23 0.00 0.00 39.78 41.46 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 2.59 0.00 0.00 1.20 0.13 -1.74 -2.52 132.00 131.65 3kaz h PRO 60 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3kaz h PRO 60 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kaz h PRO 60 CO 0.66 0.04 0.06 1.05 -0.23 0.00 0.00 178.00 179.58 3kaz h GLU 61 N 0.00 0.00 -0.38 0.86 9.09 -1.84 0.15 114.58 122.45 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 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 3kaz h GLU 61 CO 0.00 0.00 0.24 0.00 0.05 0.00 0.00 179.01 179.30 3kaz h ARG 62 N 0.00 0.51 0.00 1.06 3.08 -1.81 -3.35 114.38 113.87 3kaz h ARG 62 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kaz h ARG 62 Cb 0.12 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3kaz h ARG 62 CO 0.00 0.36 -0.01 2.48 -1.07 0.00 0.00 179.97 181.73 3kaz n TYR 63 N -4.46 0.00 -3.42 3.04 0.18 -0.78 -4.86 117.16 106.86 3kaz n TYR 63 Ca 0.03 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.43 3kaz n TYR 63 Cb 0.08 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.97 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 -0.55 4.16 0.52 -3.48 1.02 0.44 -4.34 119.74 117.52 3kaz s LYS 64 Ca 0.00 0.38 -0.13 0.00 0.02 0.00 0.00 55.97 56.24 3kaz s LYS 64 Cb 0.00 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 3kaz s LYS 64 CO 0.00 0.39 0.94 -1.01 -0.92 0.00 0.00 175.35 174.75 3kaz s HIS 65 N -0.09 3.51 0.00 3.18 3.76 -1.26 -3.66 115.29 120.73 3kaz s HIS 65 Ca 0.24 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.44 3kaz s HIS 65 Cb -0.15 -2.67 0.00 0.00 1.11 0.00 0.00 32.58 30.86 3kaz s HIS 65 CO 0.11 -0.40 0.00 1.19 -0.85 0.00 0.00 174.74 174.78 3kaz n PHE 66 N -1.91 0.00 -3.62 1.40 3.01 -1.26 -4.92 117.46 110.16 3kaz n PHE 66 Ca 0.05 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.11 3kaz n PHE 66 Cb 0.54 -0.56 -0.11 0.00 -0.01 0.00 0.00 39.48 39.34 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 -2.71 4.43 -0.07 -4.37 1.01 -1.24 0.94 120.40 118.40 3kaz s VAL 67 Ca 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 3kaz s VAL 67 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 3kaz s VAL 67 CO 0.00 -0.27 0.61 0.07 0.00 0.00 0.00 175.10 175.51 3kaz h LYS 68 N 8.41 -0.22 -4.48 2.72 2.10 -1.76 -3.44 116.57 119.90 3kaz h LYS 68 Ca -0.25 0.02 -0.26 0.00 -2.00 0.00 0.00 60.65 58.16 3kaz h LYS 68 Cb 1.10 0.05 -0.21 0.00 -0.90 0.00 0.00 32.23 32.26 3kaz h LYS 68 CO 0.67 0.11 -0.73 0.50 -2.00 0.00 0.00 179.45 178.00 3kaz s ARG 69 N -2.86 0.50 -0.13 0.07 3.52 -1.23 -4.90 118.95 113.93 3kaz s ARG 69 Ca -0.09 -0.73 -0.08 0.00 -0.13 0.00 0.00 55.73 54.70 3kaz s ARG 69 Cb 0.00 -0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.20 3kaz s ARG 69 CO 0.33 0.04 0.31 0.00 -0.81 0.00 0.00 175.30 175.17 3kaz s ARG 71 N 0.92 0.63 0.12 0.00 1.70 -0.87 -4.85 118.95 116.59 3kaz s ARG 71 Ca -0.06 -1.16 -0.30 0.00 -0.47 0.00 0.00 55.73 53.74 3kaz s ARG 71 Cb -0.07 0.22 -0.06 0.00 -0.57 0.00 0.00 34.95 34.47 3kaz s ARG 71 CO -0.07 -0.13 1.08 -0.51 -1.08 0.00 0.00 175.30 174.60 3kaz s LEU 72 N -2.85 4.45 0.00 -1.89 1.02 -1.26 -0.64 118.68 117.51 3kaz s LEU 72 Ca 0.06 1.97 0.13 0.00 0.02 0.00 0.00 54.13 56.31 3kaz s LEU 72 Cb 0.07 -3.59 -0.12 0.00 0.02 0.00 0.00 46.19 42.56 3kaz s LEU 72 CO -0.10 -0.26 0.60 -0.38 0.02 0.00 0.00 176.35 176.23 3kaz n ILE 73 N 2.99 0.00 -3.68 -0.59 5.41 0.82 -4.87 119.36 119.43 3kaz n ILE 73 Ca 0.04 -0.21 -0.14 0.00 1.00 0.00 0.00 62.75 63.44 3kaz n ILE 73 Cb 0.47 1.02 -0.08 0.00 -0.71 0.00 0.00 39.64 40.34 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 -2.18 -0.54 0.00 4.38 0.15 -1.03 -4.96 113.70 109.52 3kaz s SER 74 Ca 0.06 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.65 3kaz s SER 74 Cb 0.10 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 3kaz s SER 74 CO 0.52 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.30 3kaz n GLY 75 N 2.39 -2.68 0.00 9.45 0.00 -1.26 -0.86 105.19 112.24 3kaz n GLY 75 Ca -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.53 1.22 0.00 1.61 8.00 -1.26 -4.92 116.55 120.68 3kaz n ASP 76 Ca 0.00 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.90 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 -0.30 1.00 2.72 0.44 0.00 -1.26 -5.08 105.19 102.71 3kaz n GLY 77 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.57 -4.68 1.61 10.43 -1.26 -4.77 116.55 119.45 3kaz n ASP 78 Ca 0.00 -2.11 -0.43 0.00 2.57 0.00 0.00 54.79 54.82 3kaz n ASP 78 Cb 0.00 -0.26 -0.01 0.00 1.84 0.00 0.00 41.12 42.69 3kaz n ASP 78 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3kaz n VAL 79 N -1.82 1.75 0.00 2.53 0.31 -1.26 -1.11 118.33 118.73 3kaz n VAL 79 Ca 0.10 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3kaz n VAL 79 Cb 0.42 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 1.14 1.52 3.76 2.92 0.00 0.40 -5.04 105.19 109.89 3kaz n GLY 80 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.32 5.68 -0.09 1.61 0.01 -0.26 -4.76 113.70 113.56 3kaz s SER 81 Ca 0.00 2.60 0.03 0.00 1.31 0.00 0.00 55.95 59.89 3kaz s SER 81 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.61 3kaz s SER 81 CO 0.00 -1.28 -0.18 -0.69 0.41 0.00 0.00 173.24 171.50 3kaz s VAL 82 N -1.38 1.65 -0.01 3.43 1.01 -0.04 -1.09 120.40 123.96 3kaz s VAL 82 Ca 0.67 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.90 3kaz s VAL 82 Cb -0.36 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3kaz s VAL 82 CO 0.43 0.47 -0.00 0.00 0.00 0.00 0.00 175.10 176.00 3kaz s ARG 83 N 0.59 2.80 -0.23 2.72 1.70 0.17 -0.13 118.95 126.57 3kaz s ARG 83 Ca -0.15 -0.59 -0.07 0.00 -0.47 0.00 0.00 55.73 54.45 3kaz s ARG 83 Cb -0.17 -2.68 -0.03 0.00 -0.57 0.00 0.00 34.95 31.50 3kaz s ARG 83 CO 0.05 0.63 0.07 -2.00 -1.08 0.00 0.00 175.30 172.97 3kaz s GLU 84 N -1.48 3.73 -0.17 3.89 2.12 0.19 -1.12 118.70 125.86 3kaz s GLU 84 Ca 0.19 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 55.03 3kaz s GLU 84 Cb -0.11 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 3kaz s GLU 84 CO 0.09 -0.07 -0.03 0.08 -0.54 0.00 0.00 175.26 174.79 3kaz s VAL 85 N 1.31 3.81 -0.24 3.70 1.01 0.63 -2.05 120.40 128.57 3kaz s VAL 85 Ca 0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 3kaz s VAL 85 Cb -0.15 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3kaz s VAL 85 CO 0.03 0.47 0.18 0.28 0.00 0.00 0.00 175.10 176.07 3kaz s THR 86 N 0.64 5.34 -0.05 3.92 -1.32 -0.18 -0.80 115.64 123.19 3kaz s THR 86 Ca -0.02 0.22 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 3kaz s THR 86 Cb -0.14 -3.52 -0.03 0.00 -1.51 0.00 0.00 72.50 67.29 3kaz s THR 86 CO 0.02 0.32 -0.06 0.54 -2.21 0.00 0.00 174.62 173.23 3kaz s VAL 87 N 1.19 3.74 -0.08 5.08 0.11 -0.17 -2.13 120.40 128.13 3kaz s VAL 87 Ca 0.08 -0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 3kaz s VAL 87 Cb -0.14 -2.55 -0.04 0.00 -1.53 0.00 0.00 36.38 32.12 3kaz s VAL 87 CO 0.06 0.55 0.09 0.27 -3.33 0.00 0.00 175.10 172.74 3kaz s ILE 88 N -0.86 4.98 0.00 7.04 -4.36 0.27 -2.67 121.20 125.60 3kaz s ILE 88 Ca 0.14 -0.07 0.00 0.00 -0.26 0.00 0.00 60.65 60.46 3kaz s ILE 88 Cb -0.11 -3.18 0.00 0.00 1.25 0.00 0.00 42.46 40.42 3kaz s ILE 88 CO 0.03 0.55 0.00 -1.54 0.24 0.00 0.00 174.94 174.22 3kaz n SER 89 N 1.83 0.00 0.20 4.36 3.41 -1.26 -4.82 113.62 117.34 3kaz n SER 89 Ca -0.18 -0.95 0.04 0.00 -0.26 0.00 0.00 58.87 57.52 3kaz n SER 89 Cb 0.54 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.84 5.00 0.00 -2.04 -3.44 103.07 101.75 3kaz h GLY 90 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3kaz h GLY 90 CO 0.00 0.00 0.33 1.08 0.00 0.00 0.00 176.54 177.95 3kaz s LEU 91 N -8.16 2.65 0.76 3.11 1.02 -1.26 -5.04 118.68 111.76 3kaz s LEU 91 Ca -0.03 0.60 -0.15 0.00 0.02 0.00 0.00 54.13 54.57 3kaz s LEU 91 Cb 0.14 -3.13 0.01 0.00 0.02 0.00 0.00 46.19 43.23 3kaz s LEU 91 CO 0.71 -1.83 0.82 -2.65 0.02 0.00 0.00 176.35 173.42 3kaz n PRO 92 N -3.18 0.30 -1.76 1.29 -0.02 -1.26 -4.88 135.00 125.48 3kaz n PRO 92 Ca 0.09 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 3kaz n PRO 92 Cb 0.61 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.74 2.50 -2.57 3.55 0.00 -1.26 -4.74 120.51 115.26 3kaz n ALA 93 Ca 0.12 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.66 3kaz n ALA 93 Cb 0.50 -2.45 -0.09 0.00 0.00 0.00 0.00 19.45 17.41 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 0.24 4.17 -0.07 0.00 0.01 -1.09 -4.96 113.70 111.99 3kaz s SER 94 Ca 0.59 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 57.19 3kaz s SER 94 Cb -0.48 -0.65 -0.02 0.00 0.21 0.00 0.00 66.02 65.07 3kaz s SER 94 CO 0.55 0.06 -0.16 0.28 0.41 0.00 0.00 173.24 174.38 3kaz s THR 95 N -2.04 2.83 0.19 1.44 -1.32 -1.26 -1.00 115.64 114.47 3kaz s THR 95 Ca 0.27 -0.79 0.03 0.00 -1.21 0.00 0.00 61.69 60.00 3kaz s THR 95 Cb -0.07 -2.11 -0.05 0.00 -1.51 0.00 0.00 72.50 68.76 3kaz s THR 95 CO 0.16 0.57 -0.03 -0.94 -2.21 0.00 0.00 174.62 172.17 3kaz s SER 96 N -0.32 1.64 -0.10 8.08 1.04 0.02 -4.50 113.70 119.55 3kaz s SER 96 Ca 0.02 -1.14 0.03 0.00 0.48 0.00 0.00 55.95 55.34 3kaz s SER 96 Cb -0.13 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3kaz s SER 96 CO 0.02 -0.47 -0.18 0.28 0.98 0.00 0.00 173.24 173.87 3kaz s THR 97 N -3.46 1.66 0.02 2.02 -1.32 -0.16 -0.27 115.64 114.13 3kaz s THR 97 Ca 0.23 -0.76 0.05 0.00 -1.21 0.00 0.00 61.69 60.00 3kaz s THR 97 Cb 0.05 -1.48 -0.02 0.00 -1.51 0.00 0.00 72.50 69.54 3kaz s THR 97 CO 0.05 0.47 -0.15 -1.61 -2.21 0.00 0.00 174.62 171.17 3kaz s GLU 98 N 0.74 1.09 -0.07 7.08 2.02 -0.28 -0.46 118.70 128.82 3kaz s GLU 98 Ca -0.11 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.26 3kaz s GLU 98 Cb -0.16 -1.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.97 3kaz s GLU 98 CO 0.02 0.28 -0.24 0.50 0.02 0.00 0.00 175.26 175.85 3kaz s ARG 99 N -0.79 2.64 -0.25 1.61 3.52 0.42 -0.66 118.95 125.45 3kaz s ARG 99 Ca 0.04 -0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 54.47 3kaz s ARG 99 Cb -0.07 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 3kaz s ARG 99 CO 0.01 0.37 1.19 -1.17 -0.81 0.00 0.00 175.30 174.88 3kaz s LEU 100 N -0.12 4.03 -0.19 -0.88 2.96 -0.25 -1.66 118.68 122.57 3kaz s LEU 100 Ca -0.05 1.37 0.13 0.00 -0.22 0.00 0.00 54.13 55.36 3kaz s LEU 100 Cb -0.14 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.80 3kaz s LEU 100 CO 0.04 -0.86 0.01 -0.62 -1.32 0.00 0.00 176.35 173.61 3kaz n GLU 101 N 6.80 1.00 -3.66 1.98 -0.58 0.14 -0.45 120.64 125.88 3kaz n GLU 101 Ca 0.13 0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.81 3kaz n GLU 101 Cb 0.46 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.43 -0.92 -0.01 -0.32 5.36 -1.12 -4.83 117.98 113.70 3kaz s PHE 102 Ca -0.13 1.89 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 3kaz s PHE 102 Cb 0.06 0.51 0.01 0.00 -0.34 0.00 0.00 43.02 43.26 3kaz s PHE 102 CO 0.69 -0.47 -0.01 0.14 -1.46 0.00 0.00 175.22 174.12 3kaz s VAL 103 N 1.47 0.13 -0.27 3.12 -7.23 -1.26 -1.05 120.40 115.30 3kaz s VAL 103 Ca -0.09 -0.02 -0.00 0.00 -1.81 0.00 0.00 61.98 60.06 3kaz s VAL 103 Cb -0.06 -0.15 0.08 0.00 0.56 0.00 0.00 36.38 36.82 3kaz s VAL 103 CO -0.16 0.06 0.04 -0.62 -0.31 0.00 0.00 175.10 174.11 3kaz s ASP 104 N 0.26 3.91 0.36 4.85 -1.08 0.24 -5.00 116.67 120.20 3kaz s ASP 104 Ca -0.02 -1.45 0.17 0.00 -0.52 0.00 0.00 52.55 50.73 3kaz s ASP 104 Cb -0.04 -1.02 0.64 0.00 -1.46 0.00 0.00 42.92 41.04 3kaz s ASP 104 CO -0.01 -0.34 1.72 0.44 0.52 0.00 0.00 175.17 177.50 3kaz h ASP 105 N 8.01 0.00 0.34 -0.34 5.19 -1.97 0.63 116.42 128.28 3kaz h ASP 105 Ca -0.14 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 3kaz h ASP 105 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.56 3kaz h ASP 105 CO 0.44 0.41 -0.16 -0.78 -3.12 0.00 0.00 179.24 176.03 3kaz h ASP 106 N 0.00 -0.39 0.25 6.45 1.82 -1.96 -3.23 116.42 119.37 3kaz h ASP 106 Ca -0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 3kaz h ASP 106 Cb 0.91 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.02 3kaz h ASP 106 CO 0.05 -0.09 -0.28 1.41 -1.61 0.00 0.00 179.24 178.72 3kaz n HIS 107 N -5.19 0.00 -3.22 0.28 8.25 -1.21 -4.96 115.22 109.16 3kaz n HIS 107 Ca -0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 3kaz n HIS 107 Cb 0.26 -0.13 0.05 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.71 -1.95 -4.66 -0.41 1.74 0.12 -4.49 116.66 106.31 3kaz n ARG 108 Ca 0.12 1.02 -0.24 0.00 -0.77 0.00 0.00 57.85 57.98 3kaz n ARG 108 Cb 0.35 -5.72 -0.16 0.00 -1.02 0.00 0.00 32.46 25.91 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 -3.28 1.17 -0.01 1.55 1.01 -0.66 -1.16 120.40 119.02 3kaz s VAL 109 Ca 0.33 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3kaz s VAL 109 Cb -0.05 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.33 3kaz s VAL 109 CO 0.75 0.34 0.01 -0.22 0.00 0.00 0.00 175.10 175.99 3kaz s LEU 110 N 0.07 1.57 -0.02 3.92 0.20 -0.19 -0.59 118.68 123.64 3kaz s LEU 110 Ca -0.03 0.02 0.03 0.00 0.69 0.00 0.00 54.13 54.84 3kaz s LEU 110 Cb -0.10 -0.04 -0.00 0.00 -0.43 0.00 0.00 46.19 45.62 3kaz s LEU 110 CO 0.01 -0.06 -0.10 -0.55 -0.29 0.00 0.00 176.35 175.36 3kaz s SER 111 N 0.50 1.29 0.14 3.68 0.15 -0.21 -0.45 113.70 118.80 3kaz s SER 111 Ca -0.04 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.38 3kaz s SER 111 Cb -0.06 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 63.97 3kaz s SER 111 CO -0.01 0.11 0.10 0.72 1.20 0.00 0.00 173.24 175.35 3kaz s PHE 112 N -0.05 0.80 0.01 3.44 -0.12 -0.64 -0.68 117.98 120.74 3kaz s PHE 112 Ca 0.01 -1.16 -0.03 0.00 -0.05 0.00 0.00 56.93 55.69 3kaz s PHE 112 Cb -0.06 -0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 41.90 3kaz s PHE 112 CO 0.00 -0.56 0.04 -0.98 -0.05 0.00 0.00 175.22 173.67 3kaz s ARG 113 N -4.04 0.34 -0.09 1.99 1.70 -0.67 -1.21 118.95 116.98 3kaz s ARG 113 Ca 0.24 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 3kaz s ARG 113 Cb 0.07 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 3kaz s ARG 113 CO 0.02 -0.07 1.17 0.08 -1.08 0.00 0.00 175.30 175.43 3kaz s VAL 114 N -1.24 4.36 -0.12 4.99 1.01 -0.65 -0.44 120.40 128.32 3kaz s VAL 114 Ca -0.13 1.67 0.16 0.00 0.00 0.00 0.00 61.98 63.68 3kaz s VAL 114 Cb -0.08 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 31.99 3kaz s VAL 114 CO 0.00 -0.03 0.17 0.55 0.00 0.00 0.00 175.10 175.79 3kaz n VAL 115 N 4.76 0.78 -3.71 2.92 3.14 0.39 -4.76 118.33 121.85 3kaz n VAL 115 Ca 0.11 -0.62 -0.10 0.00 -2.96 0.00 0.00 64.34 60.77 3kaz n VAL 115 Cb 0.46 -0.35 -0.06 0.00 -1.06 0.00 0.00 33.84 32.84 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 -4.75 -0.15 0.00 7.55 0.00 -1.05 -4.98 107.32 103.93 3kaz s GLY 116 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.44 3kaz s GLY 116 CO 0.71 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.98 3kaz n GLY 117 N -0.08 2.57 3.73 0.20 0.00 -1.26 -0.99 105.19 109.35 3kaz n GLY 117 Ca -0.16 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 3kaz n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kaz s GLU 118 N 0.00 2.21 0.00 1.61 2.02 -1.26 -4.88 118.70 118.40 3kaz s GLU 118 Ca 0.00 1.67 0.00 0.00 0.02 0.00 0.00 54.97 56.66 3kaz s GLU 118 Cb 0.00 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.38 3kaz s GLU 118 CO 0.00 -1.76 0.00 0.72 0.02 0.00 0.00 175.26 174.24 3kaz n HIS 119 N -2.75 0.00 -0.22 1.61 8.25 -1.26 -4.85 115.22 116.01 3kaz n HIS 119 Ca 0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.54 3kaz n HIS 119 Cb 0.51 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.14 -4.52 -0.41 2.47 -2.00 -3.34 114.38 106.44 3kaz h ARG 120 Ca 0.00 0.01 -0.73 0.00 -1.26 0.00 0.00 59.98 58.00 3kaz h ARG 120 Cb 0.00 0.03 -0.21 0.00 -1.65 0.00 0.00 29.97 28.14 3kaz h ARG 120 CO 0.00 -0.09 0.31 -0.51 0.56 0.00 0.00 179.97 180.24 3kaz s LEU 121 N -10.73 5.72 0.18 3.04 1.43 -1.26 -4.45 118.68 112.60 3kaz s LEU 121 Ca -0.14 -1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 50.93 3kaz s LEU 121 Cb 0.16 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 3kaz s LEU 121 CO 0.70 -0.93 0.40 -0.75 0.23 0.00 0.00 176.35 175.99 3kaz s LYS 122 N 1.91 3.58 -1.58 1.70 2.20 -1.26 -4.41 119.74 121.89 3kaz s LYS 122 Ca 0.19 -0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.59 3kaz s LYS 122 Cb -0.14 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 3kaz s LYS 122 CO -0.03 0.41 0.44 0.09 -0.36 0.00 0.00 175.35 175.91 3kaz n ASN 123 N -0.32 -5.97 -4.73 1.43 4.13 -1.26 -0.85 115.26 107.68 3kaz n ASN 123 Ca -0.03 -0.21 -0.42 0.00 1.68 0.00 0.00 54.58 55.60 3kaz n ASN 123 Cb 0.53 -4.84 -0.03 0.00 -1.54 0.00 0.00 39.78 33.90 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 -3.13 2.95 -0.01 3.10 5.04 -1.26 -4.34 117.35 119.70 3kaz s TYR 124 Ca 0.22 0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 55.42 3kaz s TYR 124 Cb -0.10 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.22 3kaz s TYR 124 CO 0.27 -3.60 0.14 0.21 -1.34 0.00 0.00 175.55 171.23 3kaz s LYS 125 N 0.60 0.39 -0.00 4.97 2.20 -0.70 -1.64 119.74 125.56 3kaz s LYS 125 Ca 0.68 -0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 56.01 3kaz s LYS 125 Cb -0.46 0.16 -0.00 0.00 -1.51 0.00 0.00 37.83 36.02 3kaz s LYS 125 CO 0.37 -0.09 0.10 -1.54 -0.36 0.00 0.00 175.35 173.83 3kaz s SER 126 N -0.96 0.04 -0.10 1.43 1.04 -0.35 -1.76 113.70 113.05 3kaz s SER 126 Ca -0.11 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.14 3kaz s SER 126 Cb -0.06 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.27 3kaz s SER 126 CO 0.01 -0.31 -0.11 -0.69 0.98 0.00 0.00 173.24 173.12 3kaz s VAL 127 N -1.19 1.17 -0.07 5.02 1.01 -0.46 -1.61 120.40 124.27 3kaz s VAL 127 Ca -0.13 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3kaz s VAL 127 Cb -0.07 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3kaz s VAL 127 CO 0.01 0.38 -0.20 -0.89 0.00 0.00 0.00 175.10 174.40 3kaz s THR 128 N 1.17 2.53 0.08 3.92 2.01 0.40 -0.67 115.64 125.07 3kaz s THR 128 Ca -0.05 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.13 3kaz s THR 128 Cb -0.14 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3kaz s THR 128 CO -0.03 0.56 -0.18 -0.94 -0.69 0.00 0.00 174.62 173.35 3kaz s SER 129 N -0.15 2.10 -0.13 3.53 1.04 -0.02 -1.02 113.70 119.04 3kaz s SER 129 Ca -0.02 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.82 3kaz s SER 129 Cb -0.14 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.88 3kaz s SER 129 CO 0.04 0.02 -0.19 -0.69 0.98 0.00 0.00 173.24 173.40 3kaz s VAL 130 N -1.11 1.84 -0.09 5.02 1.01 -0.31 -1.73 120.40 125.03 3kaz s VAL 130 Ca 0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 3kaz s VAL 130 Cb -0.10 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.66 3kaz s VAL 130 CO 0.03 0.51 -0.04 0.20 0.00 0.00 0.00 175.10 175.79 3kaz s ASN 131 N 0.93 1.84 -0.06 3.32 -0.87 -0.78 -4.67 114.94 114.65 3kaz s ASN 131 Ca -0.06 -0.20 -0.10 0.00 -1.57 0.00 0.00 52.86 50.93 3kaz s ASN 131 Cb -0.15 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.25 40.38 3kaz s ASN 131 CO -0.03 -0.14 0.25 -0.70 -2.57 0.00 0.00 177.10 173.92 3kaz s GLU 132 N 1.71 3.62 0.14 -0.60 2.12 -1.26 -0.48 118.70 123.96 3kaz s GLU 132 Ca 0.03 0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.46 3kaz s GLU 132 Cb -0.13 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 3kaz s GLU 132 CO -0.06 0.73 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.26 3kaz s PHE 133 N -1.09 1.18 -0.14 5.30 0.08 0.43 -4.98 117.98 118.76 3kaz s PHE 133 Ca 0.20 -0.85 -0.02 0.00 0.12 0.00 0.00 56.93 56.38 3kaz s PHE 133 Cb -0.14 -0.63 -0.02 0.00 -0.57 0.00 0.00 43.02 41.65 3kaz s PHE 133 CO 0.09 -0.03 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.94 3kaz s LEU 134 N -3.15 3.09 -0.52 -0.37 1.98 -1.26 -1.32 118.68 117.13 3kaz s LEU 134 Ca 0.17 -0.17 -0.24 0.00 -2.89 0.00 0.00 54.13 51.00 3kaz s LEU 134 Cb 0.04 -1.72 0.04 0.00 0.66 0.00 0.00 46.19 45.21 3kaz s LEU 134 CO 0.00 0.19 0.90 0.21 -1.89 0.00 0.00 176.35 175.77 3kaz s ASN 135 N 0.20 6.37 0.40 3.68 3.84 0.83 -4.94 114.94 125.31 3kaz s ASN 135 Ca -0.04 -0.27 0.18 0.00 0.21 0.00 0.00 52.86 52.94 3kaz s ASN 135 Cb -0.14 -2.42 0.83 0.00 -0.55 0.00 0.00 41.25 38.96 3kaz s ASN 135 CO 0.04 -1.14 1.82 1.56 -2.79 0.00 0.00 177.10 176.59 3kaz h GLN 136 N 9.21 0.00 -0.20 0.43 4.20 -1.95 0.22 115.11 127.02 3kaz h GLN 136 Ca -0.26 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 3kaz h GLN 136 Cb 1.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 3kaz h GLN 136 CO 1.05 0.34 0.03 -0.44 -0.67 0.00 0.00 178.83 179.14 3kaz h ASP 137 N 0.00 0.31 0.19 1.46 3.45 -1.95 -3.31 116.42 116.58 3kaz h ASP 137 Ca -0.00 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.19 3kaz h ASP 137 Cb 0.72 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 3kaz h ASP 137 CO 0.04 0.50 -1.48 -1.54 -1.57 0.00 0.00 179.24 175.19 3kaz n SER 138 N -4.74 0.42 -0.25 6.45 3.41 -1.13 -4.95 113.62 112.83 3kaz n SER 138 Ca -0.04 -0.22 -0.03 0.00 -0.26 0.00 0.00 58.87 58.32 3kaz n SER 138 Cb 0.19 1.37 -0.01 0.00 -0.26 0.00 0.00 64.21 65.51 3kaz n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kaz n GLY 139 N 1.33 0.63 3.74 5.00 0.00 0.05 -5.02 105.19 110.91 3kaz n GLY 139 Ca -0.01 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.67 2.81 0.23 1.61 1.02 -1.10 -4.90 119.74 117.74 3kaz s LYS 140 Ca 0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 3kaz s LYS 140 Cb 0.00 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 3kaz s LYS 140 CO 0.00 0.58 0.43 0.08 -0.92 0.00 0.00 175.35 175.51 3kaz s VAL 141 N -1.30 5.17 0.18 3.17 1.01 -1.26 -0.12 120.40 127.24 3kaz s VAL 141 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3kaz s VAL 141 Cb -0.12 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3kaz s VAL 141 CO 0.19 -0.24 0.29 -0.72 0.00 0.00 0.00 175.10 174.61 3kaz s TYR 142 N -1.94 0.52 -0.01 5.22 -0.85 -0.44 -4.26 117.35 115.59 3kaz s TYR 142 Ca 0.39 -0.86 0.08 0.00 -0.52 0.00 0.00 57.07 56.16 3kaz s TYR 142 Cb -0.11 -0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.11 3kaz s TYR 142 CO 0.30 -0.75 -0.25 0.99 -1.52 0.00 0.00 175.55 174.32 3kaz s THR 143 N -4.01 1.99 -0.26 -3.49 2.01 0.19 -0.43 115.64 111.65 3kaz s THR 143 Ca 0.21 -1.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 3kaz s THR 143 Cb 0.03 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.90 3kaz s THR 143 CO 0.03 0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.78 3kaz s VAL 144 N -0.62 3.25 -0.19 3.82 1.01 0.37 -0.37 120.40 127.67 3kaz s VAL 144 Ca 0.10 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 3kaz s VAL 144 Cb -0.10 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3kaz s VAL 144 CO -0.00 0.20 0.48 -0.69 0.00 0.00 0.00 175.10 175.09 3kaz s VAL 145 N 1.40 5.14 -0.15 2.92 1.01 0.25 -1.86 120.40 129.11 3kaz s VAL 145 Ca 0.02 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 3kaz s VAL 145 Cb -0.16 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3kaz s VAL 145 CO -0.02 0.22 -0.03 -0.76 0.00 0.00 0.00 175.10 174.50 3kaz s LEU 146 N 1.38 3.29 -0.07 3.92 1.43 -0.71 -0.20 118.68 127.72 3kaz s LEU 146 Ca 0.23 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3kaz s LEU 146 Cb -0.15 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3kaz s LEU 146 CO 0.09 0.19 -0.04 -0.70 0.23 0.00 0.00 176.35 176.13 3kaz s GLU 147 N 0.24 0.93 0.22 1.70 2.12 0.33 -0.84 118.70 123.39 3kaz s GLU 147 Ca -0.02 -0.07 0.09 0.00 0.36 0.00 0.00 54.97 55.32 3kaz s GLU 147 Cb -0.14 -1.06 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 3kaz s GLU 147 CO 0.03 -0.19 -0.02 -1.54 -0.54 0.00 0.00 175.26 172.99 3kaz s SER 148 N 1.45 4.57 0.11 -1.70 1.04 0.15 -0.27 113.70 119.05 3kaz s SER 148 Ca -0.02 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 3kaz s SER 148 Cb -0.13 -0.88 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 3kaz s SER 148 CO -0.03 0.05 0.15 -0.72 0.98 0.00 0.00 173.24 173.67 3kaz s TYR 149 N -1.99 0.41 0.01 5.02 -0.85 -0.82 -1.35 117.35 117.78 3kaz s TYR 149 Ca 0.29 -0.83 0.03 0.00 -0.52 0.00 0.00 57.07 56.03 3kaz s TYR 149 Cb -0.08 -0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.06 3kaz s TYR 149 CO 0.18 -0.56 -0.10 -0.08 -1.52 0.00 0.00 175.55 173.48 3kaz s THR 150 N -3.93 0.77 -0.11 -3.49 -1.32 -0.72 -2.31 115.64 104.52 3kaz s THR 150 Ca 0.12 -0.58 -0.20 0.00 -1.21 0.00 0.00 61.69 59.83 3kaz s THR 150 Cb 0.05 -0.68 0.05 0.00 -1.51 0.00 0.00 72.50 70.41 3kaz s THR 150 CO -0.05 0.10 0.49 0.54 -2.21 0.00 0.00 174.62 173.49 3kaz s VAL 151 N -0.46 0.02 0.27 5.08 0.11 -0.67 -1.72 120.40 123.02 3kaz s VAL 151 Ca 0.02 -0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 3kaz s VAL 151 Cb -0.05 -0.74 -0.10 0.00 -1.53 0.00 0.00 36.38 33.96 3kaz s VAL 151 CO 0.00 -0.07 1.31 -1.81 -3.33 0.00 0.00 175.10 171.20 3kaz s ASP 152 N -0.49 6.83 -0.24 3.54 1.11 -0.03 -0.31 116.67 127.08 3kaz s ASP 152 Ca -0.06 2.55 -0.29 0.00 0.18 0.00 0.00 52.55 54.93 3kaz s ASP 152 Cb -0.03 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.33 3kaz s ASP 152 CO 0.04 -0.53 1.19 -0.63 1.18 0.00 0.00 175.17 176.42 3kaz s ILE 153 N -0.53 4.37 0.60 0.77 1.01 -0.39 -4.24 121.20 122.78 3kaz s ILE 153 Ca 0.53 1.61 -0.15 0.00 0.00 0.00 0.00 60.65 62.64 3kaz s ILE 153 Cb -0.38 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 3kaz s ILE 153 CO 0.45 -0.30 1.05 -2.16 0.00 0.00 0.00 174.94 173.99 3kaz s PRO 154 N 3.65 3.33 0.08 2.79 0.04 -1.26 -4.95 135.00 138.68 3kaz s PRO 154 Ca 0.51 1.17 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 3kaz s PRO 154 Cb -0.17 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 3kaz s PRO 154 CO 0.15 -0.80 1.56 -1.21 0.04 0.00 0.00 177.00 176.74 3kaz s GLU 155 N -4.16 4.23 0.00 4.56 2.02 -1.26 -1.97 118.70 122.12 3kaz s GLU 155 Ca 0.63 2.25 0.00 0.00 0.02 0.00 0.00 54.97 57.86 3kaz s GLU 155 Cb -0.15 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.62 3kaz s GLU 155 CO 0.38 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.43 3kaz n GLY 156 N 3.82 2.67 3.96 -1.39 0.00 -1.26 -5.07 105.19 107.92 3kaz n GLY 156 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.95 6.27 0.11 1.61 0.01 -0.83 -5.11 114.94 116.04 3kaz s ASN 157 Ca 0.00 0.14 -0.05 0.00 -0.71 0.00 0.00 52.86 52.24 3kaz s ASN 157 Cb 0.00 -1.84 -0.05 0.00 0.41 0.00 0.00 41.25 39.77 3kaz s ASN 157 CO 0.00 -0.17 0.34 -0.89 -1.51 0.00 0.00 177.10 174.87 3kaz s THR 158 N -2.09 5.21 0.17 1.60 2.01 -1.26 -4.80 115.64 116.49 3kaz s THR 158 Ca 0.37 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.25 3kaz s THR 158 Cb -0.09 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.86 3kaz s THR 158 CO 0.31 0.11 1.81 -0.08 -0.69 0.00 0.00 174.62 176.08 3kaz h GLU 159 N 3.08 0.73 -0.60 4.92 4.81 -1.99 -1.45 114.58 124.08 3kaz h GLU 159 Ca -0.47 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 3kaz h GLU 159 Cb 1.17 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3kaz h GLU 159 CO 0.72 0.52 0.15 0.93 -0.73 0.00 0.00 179.01 180.60 3kaz h GLU 160 N 0.72 0.96 -0.38 1.92 3.07 -1.99 -0.26 114.58 118.62 3kaz h GLU 160 Ca 0.19 -0.23 -0.16 0.00 -0.50 0.00 0.00 59.36 58.67 3kaz h GLU 160 Cb -0.02 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 3kaz h GLU 160 CO -0.04 0.88 -0.38 -0.44 -1.40 0.00 0.00 179.01 177.63 3kaz h ASP 161 N 0.87 0.98 -0.53 1.42 3.32 -1.95 -0.77 116.42 119.75 3kaz h ASP 161 Ca 0.19 -0.45 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 3kaz h ASP 161 Cb 0.35 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3kaz h ASP 161 CO 0.00 1.24 -0.10 0.71 -1.72 0.00 0.00 179.24 179.37 3kaz h THR 162 N 0.75 1.27 -0.28 0.35 1.35 -0.92 -0.72 112.91 114.71 3kaz h THR 162 Ca 0.06 -1.25 -0.02 0.00 -0.55 0.00 0.00 66.41 64.65 3kaz h THR 162 Cb 0.97 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 3kaz h THR 162 CO 0.09 0.44 0.09 0.50 -0.25 0.00 0.00 175.52 176.39 3kaz h LYS 163 N 0.91 0.43 -0.65 4.72 3.64 -1.01 -0.89 116.57 123.71 3kaz h LYS 163 Ca 0.14 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3kaz h LYS 163 Cb 0.66 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 3kaz h LYS 163 CO 0.05 0.49 0.33 1.98 -2.27 0.00 0.00 179.45 180.02 3kaz h MET 164 N 0.28 0.56 0.22 1.90 4.05 -0.92 0.40 114.93 121.43 3kaz h MET 164 Ca 0.09 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3kaz h MET 164 Cb 0.24 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3kaz h MET 164 CO -0.00 0.37 -0.10 0.35 0.23 0.00 0.00 176.91 177.76 3kaz h PHE 165 N 0.58 -0.27 -0.47 1.39 3.57 -0.93 -1.85 116.94 118.96 3kaz h PHE 165 Ca 0.31 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.69 3kaz h PHE 165 Cb 0.28 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3kaz h PHE 165 CO -0.11 -0.02 -0.16 0.28 -2.23 0.00 0.00 178.31 176.07 3kaz h VAL 166 N -0.50 1.27 -0.78 1.41 2.07 -1.10 -2.37 116.25 116.26 3kaz h VAL 166 Ca -0.03 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.19 3kaz h VAL 166 Cb 0.37 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3kaz h VAL 166 CO 0.05 0.45 0.52 0.44 0.02 0.00 0.00 177.57 179.05 3kaz h ASP 167 N 0.80 0.89 -0.28 0.57 3.32 -0.94 0.45 116.42 121.23 3kaz h ASP 167 Ca 0.11 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3kaz h ASP 167 Cb 0.73 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3kaz h ASP 167 CO 0.06 0.65 0.00 0.74 -1.72 0.00 0.00 179.24 178.96 3kaz h THR 168 N 1.05 1.26 -0.23 0.35 2.02 -0.88 -1.86 112.91 114.62 3kaz h THR 168 Ca 0.29 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 3kaz h THR 168 Cb -0.12 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3kaz h THR 168 CO -0.06 0.29 -0.04 -0.37 0.37 0.00 0.00 175.52 175.71 3kaz h VAL 169 N 0.28 1.28 -0.71 3.16 -1.51 -1.07 -0.58 116.25 117.09 3kaz h VAL 169 Ca 0.08 -1.01 -0.02 0.00 -1.23 0.00 0.00 66.70 64.52 3kaz h VAL 169 Cb 0.42 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 31.02 3kaz h VAL 169 CO 0.01 0.31 0.36 -0.37 -1.23 0.00 0.00 177.57 176.66 3kaz h VAL 170 N 0.18 1.23 -0.54 7.19 -1.51 -0.91 -1.45 116.25 120.43 3kaz h VAL 170 Ca 0.06 -0.61 -0.01 0.00 -1.23 0.00 0.00 66.70 64.92 3kaz h VAL 170 Cb 0.48 0.33 -0.03 0.00 -2.13 0.00 0.00 31.29 29.95 3kaz h VAL 170 CO 0.02 0.26 0.32 0.50 -1.23 0.00 0.00 177.57 177.43 3kaz h LYS 171 N 0.98 0.75 -0.62 5.19 1.63 -1.25 -1.50 116.57 121.74 3kaz h LYS 171 Ca 0.25 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 3kaz h LYS 171 Cb 0.08 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 3kaz h LYS 171 CO -0.03 0.55 0.21 -0.07 -3.45 0.00 0.00 179.45 176.66 3kaz h LEU 172 N 0.73 0.86 -0.46 5.20 3.38 -0.82 -0.01 115.31 124.19 3kaz h LEU 172 Ca 0.19 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3kaz h LEU 172 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kaz h LEU 172 CO -0.03 0.80 0.13 0.78 0.09 0.00 0.00 178.44 180.20 3kaz h ASN 173 N 0.91 0.68 0.15 -0.43 2.35 -0.90 -1.52 115.58 116.83 3kaz h ASN 173 Ca 0.21 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3kaz h ASN 173 Cb 0.24 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3kaz h ASN 173 CO -0.01 0.72 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.19 3kaz h LEU 174 N 0.61 0.15 -0.87 1.61 3.38 -1.00 -0.95 115.31 118.24 3kaz h LEU 174 Ca 0.15 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3kaz h LEU 174 Cb 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kaz h LEU 174 CO -0.00 0.39 -0.26 1.56 0.09 0.00 0.00 178.44 180.22 3kaz h GLN 175 N 0.14 0.53 -0.34 1.13 4.20 -0.63 -1.76 115.11 118.38 3kaz h GLN 175 Ca 0.02 -0.21 -0.17 0.00 0.06 0.00 0.00 58.65 58.35 3kaz h GLN 175 Cb 0.50 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 3kaz h GLN 175 CO 0.03 0.75 -0.46 -0.22 -0.67 0.00 0.00 178.83 178.27 3kaz h LYS 176 N 0.47 0.90 -0.73 1.46 3.64 -0.83 -1.37 116.57 120.10 3kaz h LYS 176 Ca 0.06 -0.51 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 3kaz h LYS 176 Cb 0.70 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.49 3kaz h LYS 176 CO 0.05 1.16 0.36 1.25 -2.27 0.00 0.00 179.45 180.01 3kaz h LEU 177 N 0.72 0.47 -0.49 5.20 5.85 -1.12 -1.01 115.31 124.93 3kaz h LEU 177 Ca 0.04 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3kaz h LEU 177 Cb 1.06 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3kaz h LEU 177 CO 0.11 0.26 0.12 1.23 -0.34 0.00 0.00 178.44 179.81 3kaz h GLY 178 N 0.60 0.84 0.93 3.75 0.00 -0.88 -0.54 103.07 107.77 3kaz h GLY 178 Ca 0.36 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.17 3kaz h GLY 178 CO -0.28 0.49 -0.03 -2.08 0.00 0.00 0.00 176.54 174.64 3kaz h VAL 179 N 0.66 0.93 -0.46 4.60 2.07 -0.84 -0.07 116.25 123.15 3kaz h VAL 179 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 3kaz h VAL 179 Cb 0.33 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 3kaz h VAL 179 CO 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.57 3kaz h ALA 180 N 0.95 0.40 -0.30 1.67 0.00 -1.05 -1.10 119.26 119.84 3kaz h ALA 180 Ca 0.01 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3kaz h ALA 180 Cb 0.06 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kaz h ALA 180 CO -0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 179.25 178.60 3kaz h ALA 181 N 1.41 1.07 0.00 0.00 0.00 -0.85 -1.49 119.26 119.40 3kaz h ALA 181 Ca 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kaz h ALA 181 Cb 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kaz h ALA 181 CO -0.40 0.57 -0.70 1.79 0.00 0.00 0.00 179.25 180.51 3kaz h THR 182 N 0.50 0.09 0.00 0.00 1.35 -0.80 -3.44 112.91 110.61 3kaz h THR 182 Ca 0.08 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3kaz h THR 182 Cb 0.65 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3kaz h THR 182 CO 0.05 0.05 -0.02 -1.20 -0.25 0.00 0.00 175.52 174.15 3kaz n SER 183 N -2.86 0.11 -4.87 5.36 7.64 -0.43 -5.07 113.62 113.50 3kaz n SER 183 Ca 0.01 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.63 3kaz n SER 183 Cb 0.58 0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 3kaz n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kaz s ALA 184 N -0.39 3.74 0.48 -0.43 0.00 -0.57 -5.02 121.76 119.57 3kaz s ALA 184 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 3kaz s ALA 184 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 23.12 21.51 3kaz s ALA 184 CO 0.00 0.49 1.40 -0.35 0.00 0.00 0.00 175.76 177.29 3kaz n PRO 185 N -0.54 2.06 -2.20 0.00 -0.05 -1.26 -4.81 135.00 128.20 3kaz n PRO 185 Ca -0.08 0.74 -0.37 0.00 -0.05 0.00 0.00 63.50 63.74 3kaz n PRO 185 Cb 0.55 -2.60 -0.00 0.00 -0.05 0.00 0.00 33.50 31.40 3kaz n PRO 185 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 175.50 173.81 3kaz s MET 186 N -2.57 3.59 0.00 0.54 -1.94 -1.26 -5.05 119.30 112.61 3kaz s MET 186 Ca 0.64 1.79 0.00 0.00 -1.71 0.00 0.00 55.69 56.41 3kaz s MET 186 Cb -0.44 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.10 3kaz s MET 186 CO 0.55 -0.70 0.00 0.72 -0.01 0.00 0.00 175.02 175.58