#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knw h GLU 10 N 0.00 0.65 -0.11 -1.46 4.57 -2.05 0.74 114.58 116.92 3knw h GLU 10 Ca 0.00 -0.22 -0.12 0.00 -1.18 0.00 0.00 59.36 57.83 3knw h GLU 10 Cb 0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3knw h GLU 10 CO 0.00 0.78 -0.48 0.00 -1.18 0.00 0.00 179.01 178.14 3knw h ALA 11 N 1.24 0.99 0.23 2.92 0.00 -2.05 -0.69 119.26 121.90 3knw h ALA 11 Ca 0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3knw h ALA 11 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3knw h ALA 11 CO 0.04 0.64 -0.11 -0.22 0.00 0.00 0.00 179.25 179.61 3knw h LYS 12 N 0.22 -0.30 -0.84 0.00 3.64 -1.91 0.94 116.57 118.33 3knw h LYS 12 Ca 0.01 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.62 3knw h LYS 12 Cb 0.93 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.68 3knw h LYS 12 CO 0.08 -0.02 0.18 -0.09 -2.27 0.00 0.00 179.45 177.33 3knw h ARG 13 N -0.57 0.19 -0.51 1.90 2.43 -0.70 0.10 114.38 117.21 3knw h ARG 13 Ca -0.03 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 3knw h ARG 13 Cb 0.42 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3knw h ARG 13 CO 0.05 0.13 -0.15 1.96 -1.51 0.00 0.00 179.97 180.45 3knw h GLN 14 N 0.20 1.00 -0.39 0.20 1.08 -0.83 -2.02 115.11 114.36 3knw h GLN 14 Ca 0.51 -0.39 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3knw h GLN 14 Cb 0.98 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.32 3knw h GLN 14 CO -0.64 1.07 0.16 1.25 -0.95 0.00 0.00 178.83 179.72 3knw h HIS 15 N 0.88 0.29 -0.19 2.96 2.76 0.95 0.06 115.15 122.86 3knw h HIS 15 Ca 0.13 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3knw h HIS 15 Cb 0.72 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3knw h HIS 15 CO 0.05 0.14 0.12 0.82 -1.30 0.00 0.00 177.93 177.75 3knw h ILE 16 N 0.34 1.06 -0.43 6.26 2.04 -0.73 0.25 117.51 126.31 3knw h ILE 16 Ca 0.17 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3knw h ILE 16 Cb 0.12 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3knw h ILE 16 CO -0.15 0.06 0.24 -0.07 0.00 0.00 0.00 178.15 178.23 3knw h LEU 17 N 0.24 0.37 -0.55 1.44 3.38 -1.18 0.77 115.31 119.77 3knw h LEU 17 Ca 0.07 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3knw h LEU 17 Cb -0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3knw h LEU 17 CO -0.01 0.27 0.08 0.44 0.09 0.00 0.00 178.44 179.30 3knw h ASP 18 N 0.48 0.89 -0.19 -0.43 3.32 -0.55 0.25 116.42 120.20 3knw h ASP 18 Ca 0.18 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.01 3knw h ASP 18 Cb 0.04 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.28 3knw h ASP 18 CO -0.10 0.93 -0.37 0.28 -1.72 0.00 0.00 179.24 178.26 3knw h SER 19 N 0.82 -1.18 -0.83 6.45 0.02 -0.29 -2.39 113.55 116.14 3knw h SER 19 Ca 0.17 0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.37 3knw h SER 19 Cb 0.43 0.50 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 3knw h SER 19 CO 0.01 -0.39 0.49 1.23 -1.14 0.00 0.00 176.83 177.04 3knw h GLY 20 N -0.41 1.28 0.95 -3.77 0.00 -0.18 -2.23 103.07 98.70 3knw h GLY 20 Ca 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3knw h GLY 20 CO -0.41 0.18 0.10 -2.75 0.00 0.00 0.00 176.54 173.66 3knw h PHE 21 N 0.86 0.24 -0.44 5.60 3.57 -0.28 0.17 116.94 126.67 3knw h PHE 21 Ca 0.39 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.92 3knw h PHE 21 Cb 0.29 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3knw h PHE 21 CO -0.05 0.23 0.21 0.45 -2.23 0.00 0.00 178.31 176.92 3knw h HIS 22 N 0.19 0.38 -0.53 0.41 3.86 -1.26 -1.93 115.15 116.27 3knw h HIS 22 Ca 0.06 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.38 3knw h HIS 22 Cb 0.06 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.36 3knw h HIS 22 CO -0.04 0.19 0.16 1.25 0.86 0.00 0.00 177.93 180.34 3knw h LEU 23 N 0.42 0.11 -0.93 2.43 5.85 -0.64 -2.38 115.31 120.18 3knw h LEU 23 Ca 0.19 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 3knw h LEU 23 Cb 0.12 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3knw h LEU 23 CO -0.15 0.08 -0.49 0.58 -0.34 0.00 0.00 178.44 178.13 3knw h VAL 24 N 0.31 1.35 -0.69 1.05 2.07 -0.41 -0.79 116.25 119.14 3knw h VAL 24 Ca 0.27 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3knw h VAL 24 Cb 0.33 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3knw h VAL 24 CO -0.30 0.49 0.44 -0.07 0.02 0.00 0.00 177.57 178.15 3knw h LEU 25 N 0.09 0.80 0.03 2.57 3.38 -0.84 -1.00 115.31 120.34 3knw h LEU 25 Ca 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3knw h LEU 25 Cb 0.90 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.46 3knw h LEU 25 CO 0.07 0.59 -0.40 0.03 0.09 0.00 0.00 178.44 178.83 3knw h ARG 26 N 0.94 0.22 0.00 1.13 -0.00 -1.24 -3.43 114.38 112.00 3knw h ARG 26 Ca 0.25 -0.27 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 3knw h ARG 26 Cb -0.08 0.09 0.00 0.00 0.00 0.00 0.00 29.97 29.97 3knw h ARG 26 CO -0.05 1.03 0.00 1.63 0.00 0.00 0.00 179.97 182.58 3knw n LYS 27 N -4.39 0.18 0.00 0.04 5.02 -0.35 -5.13 118.16 113.53 3knw n LYS 27 Ca -0.11 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 3knw n LYS 27 Cb 0.60 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 3knw n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knw n GLY 28 N 0.11 -2.13 0.50 0.72 0.00 -0.38 -4.53 105.19 99.49 3knw n GLY 28 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 3knw n GLY 28 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3knw n PHE 29 N -0.12 0.00 0.20 1.61 7.35 -1.26 -4.35 117.46 120.89 3knw n PHE 29 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 3knw n PHE 29 Cb 0.00 -0.39 0.52 0.00 0.35 0.00 0.00 39.48 39.96 3knw n PHE 29 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 3knw h VAL 30 N -0.57 1.10 0.00 -2.13 -1.51 -1.94 -2.27 116.25 108.92 3knw h VAL 30 Ca -0.15 -0.43 -0.02 0.00 -1.23 0.00 0.00 66.70 64.88 3knw h VAL 30 Cb 0.86 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 3knw h VAL 30 CO -0.09 0.13 -0.07 1.23 -1.23 0.00 0.00 177.57 177.54 3knw h GLY 31 N 0.41 0.00 -4.92 5.19 0.00 -1.82 -3.45 103.07 98.48 3knw h GLY 31 Ca 0.02 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.72 3knw h GLY 31 CO 0.01 0.00 -0.52 -1.34 0.00 0.00 0.00 176.54 174.69 3knw s VAL 32 N -4.33 5.23 0.39 4.60 -7.23 -0.86 -5.11 120.40 113.09 3knw s VAL 32 Ca -0.04 -0.41 0.08 0.00 -1.81 0.00 0.00 61.98 59.80 3knw s VAL 32 Cb 0.14 -3.52 -0.00 0.00 0.56 0.00 0.00 36.38 33.55 3knw s VAL 32 CO 0.56 0.18 0.51 -0.83 -0.31 0.00 0.00 175.10 175.21 3knw s GLY 33 N -2.36 1.85 0.35 2.32 0.00 -1.26 -5.02 107.32 103.20 3knw s GLY 33 Ca 0.32 -1.63 0.06 0.00 0.00 0.00 0.00 44.72 43.48 3knw s GLY 33 CO 0.25 -1.48 1.92 1.41 0.00 0.00 0.00 173.10 175.20 3knw h LEU 34 N 0.78 0.69 -0.63 0.66 3.38 -1.99 -2.94 115.31 115.26 3knw h LEU 34 Ca -0.42 0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.69 3knw h LEU 34 Cb 1.27 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 3knw h LEU 34 CO 0.49 0.42 0.10 -0.61 0.09 0.00 0.00 178.44 178.92 3knw h GLN 35 N 0.77 0.21 0.07 1.13 4.15 -1.98 1.74 115.11 121.20 3knw h GLN 35 Ca 0.37 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 3knw h GLN 35 Cb 0.42 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3knw h GLN 35 CO -0.15 0.14 -0.03 0.93 -1.93 0.00 0.00 178.83 177.79 3knw h GLU 36 N 0.21 -0.09 -0.68 1.69 5.08 -1.93 0.21 114.58 119.07 3knw h GLU 36 Ca 0.34 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.85 3knw h GLU 36 Cb 0.54 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 3knw h GLU 36 CO -0.47 0.27 0.03 0.82 -1.00 0.00 0.00 179.01 178.67 3knw h ILE 37 N -0.47 0.45 0.02 3.13 2.04 -1.02 0.51 117.51 122.18 3knw h ILE 37 Ca -0.01 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3knw h ILE 37 Cb 0.40 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3knw h ILE 37 CO 0.02 0.03 -0.01 -0.07 0.00 0.00 0.00 178.15 178.11 3knw h LEU 38 N 0.14 -0.03 -0.73 1.44 3.38 0.28 -2.24 115.31 117.55 3knw h LEU 38 Ca 0.37 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.25 3knw h LEU 38 Cb 0.61 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 3knw h LEU 38 CO -0.57 0.20 0.30 0.50 0.09 0.00 0.00 178.44 178.96 3knw h LYS 39 N -0.26 0.44 -0.17 1.13 3.64 -0.12 -0.86 116.57 120.38 3knw h LYS 39 Ca -0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3knw h LYS 39 Cb 0.24 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3knw h LYS 39 CO 0.01 0.29 0.03 1.15 -2.27 0.00 0.00 179.45 178.65 3knw h THR 40 N 0.46 1.22 0.00 1.00 2.02 0.15 -3.21 112.91 114.55 3knw h THR 40 Ca 0.40 -0.72 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 3knw h THR 40 Cb 0.57 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3knw h THR 40 CO -0.38 0.22 -0.67 0.77 0.37 0.00 0.00 175.52 175.83 3knw h SER 41 N 0.06 0.00 0.00 4.18 4.64 -1.14 -3.47 113.55 117.81 3knw h SER 41 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3knw h SER 41 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3knw h SER 41 CO 0.00 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 3knw n GLY 42 N 0.47 0.78 3.83 -0.77 0.00 -0.35 -4.99 105.19 104.17 3knw n GLY 42 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3knw n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knw s VAL 43 N -2.97 4.99 0.88 1.61 1.01 -1.20 -5.03 120.40 119.69 3knw s VAL 43 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 3knw s VAL 43 Cb 0.00 -3.74 0.12 0.00 0.00 0.00 0.00 36.38 32.76 3knw s VAL 43 CO 0.00 0.57 1.11 -2.16 0.00 0.00 0.00 175.10 174.62 3knw s PRO 44 N -1.04 1.36 0.19 2.72 0.04 -1.26 -4.69 135.00 132.32 3knw s PRO 44 Ca 0.25 1.21 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 3knw s PRO 44 Cb -0.17 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.67 3knw s PRO 44 CO 0.14 -2.28 1.68 1.57 0.04 0.00 0.00 177.00 178.15 3knw h LYS 45 N -1.60 1.10 -0.92 4.56 2.10 -1.97 -2.84 116.57 117.00 3knw h LYS 45 Ca -0.46 -0.30 0.06 0.00 -2.00 0.00 0.00 60.65 57.95 3knw h LYS 45 Cb 1.26 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 32.40 3knw h LYS 45 CO 0.48 1.02 0.58 0.78 -2.00 0.00 0.00 179.45 180.31 3knw h GLY 46 N 1.02 1.38 0.96 0.07 0.00 -1.99 -1.23 103.07 103.28 3knw h GLY 46 Ca 0.20 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 3knw h GLY 46 CO 0.01 0.30 -0.29 0.23 0.00 0.00 0.00 176.54 176.80 3knw h SER 47 N 1.07 -0.70 -0.99 0.19 0.87 -1.92 -2.85 113.55 109.22 3knw h SER 47 Ca 0.40 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 61.16 3knw h SER 47 Cb 0.15 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.19 3knw h SER 47 CO -0.17 -0.46 0.62 0.15 -0.53 0.00 0.00 176.83 176.44 3knw h PHE 48 N -0.88 0.94 0.00 2.24 3.57 -1.21 0.27 116.94 121.88 3knw h PHE 48 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3knw h PHE 48 Cb 0.65 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3knw h PHE 48 CO -0.02 0.19 0.00 1.88 -2.23 0.00 0.00 178.31 178.13 3knw h TYR 49 N 0.66 0.00 -0.15 0.41 0.99 -1.15 -0.31 116.97 117.41 3knw h TYR 49 Ca 0.57 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.23 3knw h TYR 49 Cb 1.03 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.75 3knw h TYR 49 CO -0.00 0.00 -0.23 0.45 -0.00 0.00 0.00 178.16 178.38 3knw h HIS 50 N 0.00 0.30 0.13 4.88 3.86 -0.21 -3.33 115.15 120.78 3knw h HIS 50 Ca 0.00 -0.05 -0.30 0.00 -1.16 0.00 0.00 60.37 58.86 3knw h HIS 50 Cb 0.65 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 3knw h HIS 50 CO 0.00 0.49 -1.55 1.88 0.86 0.00 0.00 177.93 179.61 3knw h TYR 51 N 0.25 0.50 -3.62 2.45 -1.99 -1.37 -3.47 116.97 109.71 3knw h TYR 51 Ca 0.04 -0.36 -0.44 0.00 2.00 0.00 0.00 58.73 59.97 3knw h TYR 51 Cb 0.55 -0.02 -0.32 0.00 2.00 0.00 0.00 36.73 38.94 3knw h TYR 51 CO 0.01 1.61 -0.79 -0.06 -0.00 0.00 0.00 178.16 178.93 3knw s PHE 52 N -2.51 1.01 -0.38 4.88 0.08 -0.18 -5.04 117.98 115.85 3knw s PHE 52 Ca -0.20 -0.30 0.26 0.00 0.12 0.00 0.00 56.93 56.82 3knw s PHE 52 Cb 0.05 -0.76 0.80 0.00 -0.57 0.00 0.00 43.02 42.54 3knw s PHE 52 CO 0.78 -0.16 1.76 1.05 -0.10 0.00 0.00 175.22 178.54 3knw h GLU 53 N 6.74 0.00 -2.69 0.44 4.11 -1.85 -3.37 114.58 117.95 3knw h GLU 53 Ca -0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.15 3knw h GLU 53 Cb 1.17 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 3knw h GLU 53 CO 0.48 0.00 0.34 -1.54 0.07 0.00 0.00 179.01 178.36 3knw s SER 54 N -5.40 -0.41 0.38 3.06 1.04 -1.26 -4.98 113.70 106.13 3knw s SER 54 Ca 0.06 -0.15 0.14 0.00 0.48 0.00 0.00 55.95 56.48 3knw s SER 54 Cb 0.08 0.54 0.98 0.00 0.10 0.00 0.00 66.02 67.73 3knw s SER 54 CO 0.58 -0.91 1.81 0.50 0.98 0.00 0.00 173.24 176.20 3knw h LYS 55 N 2.00 0.50 -0.08 4.02 3.64 -2.00 -2.18 116.57 122.48 3knw h LYS 55 Ca -0.27 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 3knw h LYS 55 Cb 1.27 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3knw h LYS 55 CO 0.32 0.33 -0.18 1.49 -2.27 0.00 0.00 179.45 179.14 3knw h GLU 56 N 0.52 0.26 -0.90 1.90 4.57 -1.99 -1.22 114.58 117.71 3knw h GLU 56 Ca 0.53 -0.18 0.16 0.00 -1.18 0.00 0.00 59.36 58.70 3knw h GLU 56 Cb 1.16 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.67 3knw h GLU 56 CO -0.26 0.78 0.49 0.00 -1.18 0.00 0.00 179.01 178.84 3knw h ALA 57 N 0.48 1.41 -0.26 2.92 0.00 -1.82 -0.86 119.26 121.12 3knw h ALA 57 Ca -0.00 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3knw h ALA 57 Cb 0.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3knw h ALA 57 CO 0.04 -0.09 -0.19 0.35 0.00 0.00 0.00 179.25 179.36 3knw h PHE 58 N 0.66 0.69 -0.34 0.00 3.57 -1.28 -0.17 116.94 120.07 3knw h PHE 58 Ca 0.50 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 61.85 3knw h PHE 58 Cb 0.75 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 3knw h PHE 58 CO -0.07 0.88 0.10 0.78 -2.23 0.00 0.00 178.31 177.77 3knw h GLY 59 N 0.30 0.42 0.87 2.40 0.00 -0.73 0.26 103.07 106.60 3knw h GLY 59 Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.36 3knw h GLY 59 CO 0.05 0.02 0.61 0.00 0.00 0.00 0.00 176.54 177.21 3knw h GLU 61 N 1.17 0.29 -0.44 0.00 4.39 -0.13 -2.05 114.58 117.81 3knw h GLU 61 Ca 0.38 -0.24 0.04 0.00 0.34 0.00 0.00 59.36 59.87 3knw h GLU 61 Cb 0.01 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3knw h GLU 61 CO -0.12 0.90 0.21 1.25 -1.16 0.00 0.00 179.01 180.08 3knw h LEU 62 N 0.19 0.28 -0.41 1.33 5.85 -0.17 0.79 115.31 123.17 3knw h LEU 62 Ca -0.03 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 3knw h LEU 62 Cb 1.30 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3knw h LEU 62 CO 0.12 0.21 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.69 3knw h LEU 63 N 0.41 0.61 -0.44 2.25 3.38 -1.19 -1.08 115.31 119.26 3knw h LEU 63 Ca 0.19 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3knw h LEU 63 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3knw h LEU 63 CO -0.15 1.11 0.14 0.11 0.09 0.00 0.00 178.44 179.73 3knw h LYS 64 N 0.38 0.68 -0.40 1.13 1.57 -1.11 -1.30 116.57 117.51 3knw h LYS 64 Ca -0.02 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 3knw h LYS 64 Cb 1.24 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3knw h LYS 64 CO 0.12 0.66 -0.17 1.25 -0.57 0.00 0.00 179.45 180.74 3knw h HIS 65 N 0.56 0.84 -0.02 -1.35 2.76 -0.72 0.59 115.15 117.82 3knw h HIS 65 Ca 0.14 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3knw h HIS 65 Cb 0.26 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 3knw h HIS 65 CO 0.01 0.87 0.01 -0.92 -1.30 0.00 0.00 177.93 176.60 3knw h TYR 66 N 0.67 0.02 -0.61 5.26 3.20 -1.00 -2.31 116.97 122.21 3knw h TYR 66 Ca 0.10 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3knw h TYR 66 Cb 0.66 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 3knw h TYR 66 CO 0.03 0.02 0.15 0.82 -1.64 0.00 0.00 178.16 177.55 3knw h ILE 67 N 0.02 1.25 -0.50 1.81 2.04 -0.87 -1.08 117.51 120.17 3knw h ILE 67 Ca 0.01 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3knw h ILE 67 Cb 0.01 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3knw h ILE 67 CO -0.00 0.34 0.17 -1.28 0.00 0.00 0.00 178.15 177.38 3knw h SER 68 N 0.89 0.72 -0.46 1.72 0.87 -0.81 -1.44 113.55 115.03 3knw h SER 68 Ca 0.19 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3knw h SER 68 Cb 0.35 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3knw h SER 68 CO 0.00 0.72 -0.05 0.44 -0.53 0.00 0.00 176.83 177.41 3knw h ASP 69 N 0.68 0.85 -0.43 6.23 3.32 -1.39 -2.82 116.42 122.86 3knw h ASP 69 Ca 0.16 -0.33 0.08 0.00 0.02 0.00 0.00 57.03 56.96 3knw h ASP 69 Cb 0.24 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.50 3knw h ASP 69 CO -0.01 0.98 0.01 0.22 -1.72 0.00 0.00 179.24 178.72 3knw h TYR 70 N 0.70 0.00 -0.27 4.55 3.20 -0.59 0.12 116.97 124.68 3knw h TYR 70 Ca 0.13 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.88 3knw h TYR 70 Cb 0.57 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3knw h TYR 70 CO 0.04 -0.07 -0.42 -0.56 -1.64 0.00 0.00 178.16 175.51 3knw h GLN 71 N 0.13 0.66 -0.76 1.82 3.07 -1.31 0.11 115.11 118.82 3knw h GLN 71 Ca 0.21 -0.35 0.05 0.00 0.09 0.00 0.00 58.65 58.65 3knw h GLN 71 Cb 0.30 0.01 -0.05 0.00 0.08 0.00 0.00 27.48 27.82 3knw h GLN 71 CO -0.34 0.96 0.47 0.82 0.09 0.00 0.00 178.83 180.82 3knw h ILE 72 N 0.54 1.05 -0.37 1.86 2.04 -1.20 0.10 117.51 121.52 3knw h ILE 72 Ca 0.04 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3knw h ILE 72 Cb 0.95 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3knw h ILE 72 CO 0.09 0.16 -0.12 0.03 0.00 0.00 0.00 178.15 178.30 3knw h ARG 73 N 0.88 0.66 -0.30 2.37 3.08 0.08 -2.60 114.38 118.56 3knw h ARG 73 Ca 0.32 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 3knw h ARG 73 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3knw h ARG 73 CO -0.15 0.77 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.25 3knw h LEU 74 N 0.60 0.56 -0.80 3.04 3.38 -0.36 -2.78 115.31 118.95 3knw h LEU 74 Ca 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3knw h LEU 74 Cb 0.56 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3knw h LEU 74 CO 0.04 0.76 0.51 0.78 0.09 0.00 0.00 178.44 180.62 3knw h ASN 75 N 0.50 0.94 0.43 -0.43 2.35 -0.45 -2.30 115.58 116.63 3knw h ASN 75 Ca 0.08 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3knw h ASN 75 Cb 0.63 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3knw h ASN 75 CO 0.04 0.71 -0.21 1.56 -1.65 0.00 0.00 177.43 177.88 3knw h GLN 76 N 1.10 -0.56 -1.22 0.81 4.20 -1.42 -1.96 115.11 116.06 3knw h GLN 76 Ca 0.29 0.04 0.41 0.00 0.06 0.00 0.00 58.65 59.45 3knw h GLN 76 Cb -0.09 0.13 -0.14 0.00 0.30 0.00 0.00 27.48 27.68 3knw h GLN 76 CO -0.06 -0.37 0.76 1.25 -0.67 0.00 0.00 178.83 179.74 3knw h LEU 77 N -0.76 0.30 -1.61 1.46 5.85 -1.54 -2.76 115.31 116.26 3knw h LEU 77 Ca -0.06 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3knw h LEU 77 Cb 0.44 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3knw h LEU 77 CO 0.10 -0.21 -0.01 0.79 -0.34 0.00 0.00 178.44 178.77 3knw n TRP 78 N -4.83 0.00 -2.96 1.25 8.01 -0.87 -4.46 117.44 113.58 3knw n TRP 78 Ca 0.36 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 56.21 3knw n TRP 78 Cb 1.33 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.61 3knw n TRP 78 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3knw n THR 79 N 0.88 4.34 -4.40 -0.99 -2.24 -0.74 -4.94 114.28 106.20 3knw n THR 79 Ca 0.09 -5.71 -0.31 0.00 -2.27 0.00 0.00 64.05 55.85 3knw n THR 79 Cb 0.40 -1.73 -0.04 0.00 -2.10 0.00 0.00 70.33 66.86 3knw n THR 79 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3knw s THR 80 N -3.69 1.25 -0.78 4.28 2.01 -1.26 -4.98 115.64 112.47 3knw s THR 80 Ca 0.40 -1.78 0.02 0.00 0.31 0.00 0.00 61.69 60.64 3knw s THR 80 Cb 0.18 -2.03 0.34 0.00 0.01 0.00 0.00 72.50 71.00 3knw s THR 80 CO -0.06 0.00 1.45 1.21 -0.69 0.00 0.00 174.62 176.53 3knw n GLU 81 N -1.53 4.11 -4.28 4.92 4.07 -1.26 -4.97 120.64 121.71 3knw n GLU 81 Ca -0.13 -4.59 -0.29 0.00 -0.06 0.00 0.00 57.16 52.08 3knw n GLU 81 Cb 0.66 -2.34 -0.04 0.00 -0.06 0.00 0.00 31.44 29.66 3knw n GLU 81 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3knw s THR 82 N -4.60 1.43 0.80 6.31 -4.23 -1.26 -5.14 115.64 108.95 3knw s THR 82 Ca 0.45 -1.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.10 3knw s THR 82 Cb 0.27 -2.15 -0.00 0.00 1.34 0.00 0.00 72.50 71.97 3knw s THR 82 CO -0.17 0.00 0.56 -1.20 -0.54 0.00 0.00 174.62 173.26 3knw n SER 83 N -1.54 -1.24 -0.16 3.99 7.64 -1.26 -4.89 113.62 116.15 3knw n SER 83 Ca -0.10 0.51 -0.08 0.00 1.01 0.00 0.00 58.87 60.21 3knw n SER 83 Cb 0.65 -1.24 0.01 0.00 -1.01 0.00 0.00 64.21 62.62 3knw n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3knw h ALA 84 N -0.79 0.62 -0.08 -0.43 0.00 -1.90 -1.80 119.26 114.87 3knw h ALA 84 Ca -0.45 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.33 3knw h ALA 84 Cb 1.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3knw h ALA 84 CO 0.40 0.22 0.01 -0.09 0.00 0.00 0.00 179.25 179.79 3knw h ARG 85 N 0.62 0.04 -0.09 0.00 2.43 -1.88 -1.26 114.38 114.26 3knw h ARG 85 Ca 0.16 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 3knw h ARG 85 Cb 0.18 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3knw h ARG 85 CO -0.01 0.03 -0.38 -0.44 -1.51 0.00 0.00 179.97 177.66 3knw h ASP 86 N 0.04 0.19 -0.35 -3.80 5.19 -1.94 -2.19 116.42 113.56 3knw h ASP 86 Ca 0.03 -0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.32 3knw h ASP 86 Cb 0.03 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 3knw h ASP 86 CO -0.05 0.56 0.07 0.11 -3.12 0.00 0.00 179.24 176.81 3knw h LYS 87 N 0.16 0.65 -1.04 3.56 1.57 -0.59 -0.32 116.57 120.57 3knw h LYS 87 Ca 0.02 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3knw h LYS 87 Cb 0.74 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3knw h LYS 87 CO 0.06 0.62 0.00 -0.11 -0.57 0.00 0.00 179.45 179.45 3knw n LEU 88 N -4.29 2.29 0.00 2.94 7.94 -0.54 -2.23 117.00 123.11 3knw n LEU 88 Ca 0.03 -1.15 0.00 0.00 -1.11 0.00 0.00 56.01 53.78 3knw n LEU 88 Cb 0.23 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.71 3knw n LEU 88 CO 0.39 0.40 0.00 0.59 -1.11 0.00 0.00 177.39 177.66 3knw n ASN 90 N 0.41 0.00 -0.25 1.96 4.13 -0.13 -2.29 115.26 119.08 3knw n ASN 90 Ca 0.00 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.23 3knw n ASN 90 Cb 0.40 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.67 3knw n ASN 90 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3knw h TYR 91 N 0.00 -0.91 -0.76 3.10 3.20 -1.71 -0.56 116.97 119.33 3knw h TYR 91 Ca 0.00 0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3knw h TYR 91 Cb 0.00 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 3knw h TYR 91 CO 0.00 -0.38 0.35 -0.07 -1.64 0.00 0.00 178.16 176.42 3knw h LEU 92 N -0.11 0.99 -1.13 2.82 3.38 -1.74 -0.87 115.31 118.65 3knw h LEU 92 Ca 0.28 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3knw h LEU 92 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3knw h LEU 92 CO -0.77 0.84 -0.12 1.56 0.09 0.00 0.00 178.44 180.05 3knw h GLN 93 N 1.08 0.47 -0.46 1.13 4.20 -1.54 -1.63 115.11 118.36 3knw h GLN 93 Ca 0.26 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3knw h GLN 93 Cb 0.12 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3knw h GLN 93 CO -0.03 0.59 0.11 0.00 -0.67 0.00 0.00 178.83 178.83 3knw h TRP 95 N 0.61 -1.04 0.00 0.00 4.06 -0.28 -2.19 115.95 117.11 3knw h TRP 95 Ca 0.14 0.09 -0.03 0.00 2.06 0.00 0.00 58.89 61.15 3knw h TRP 95 Cb 0.32 0.56 -0.00 0.00 -1.00 0.00 0.00 29.16 29.04 3knw h TRP 95 CO 0.02 -0.39 -0.14 0.28 -3.56 0.00 0.00 178.44 174.65 3knw h VAL 96 N -0.11 0.82 -0.02 1.49 2.07 -1.04 -3.25 116.25 116.20 3knw h VAL 96 Ca 0.26 -0.52 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 3knw h VAL 96 Cb 0.57 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3knw h VAL 96 CO -0.79 0.13 -0.72 0.11 0.02 0.00 0.00 177.57 176.32 3knw h LYS 97 N 0.00 0.15 -2.40 1.57 6.56 -0.98 -3.50 116.57 117.97 3knw h LYS 97 Ca -0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 3knw h LYS 97 Cb 0.30 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 3knw h LYS 97 CO 0.02 0.81 -0.57 -0.25 -2.06 0.00 0.00 179.45 177.40 3knw n ASP 98 N -3.75 -6.22 0.00 0.86 8.00 -1.23 -5.13 116.55 109.07 3knw n ASP 98 Ca -0.02 0.80 0.00 0.00 0.71 0.00 0.00 54.79 56.27 3knw n ASP 98 Cb 0.70 -2.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.18 3knw n ASP 98 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3knw n GLU 107 N -0.26 0.00 0.12 -1.24 -0.00 -1.26 -5.17 120.64 112.84 3knw n GLU 107 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.15 3knw n GLU 107 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 31.44 31.70 3knw n GLU 107 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3knw h SER 108 N 0.00 0.16 -0.76 -1.84 4.64 -2.01 -2.83 113.55 110.91 3knw h SER 108 Ca 0.00 -0.07 0.06 0.00 -0.47 0.00 0.00 61.79 61.31 3knw h SER 108 Cb 0.00 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 3knw h SER 108 CO 0.00 0.56 0.45 0.00 -0.87 0.00 0.00 176.83 176.97 3knw h LEU 110 N 0.84 0.93 -0.71 0.00 5.85 -1.86 0.68 115.31 121.04 3knw h LEU 110 Ca 0.33 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.92 3knw h LEU 110 Cb 0.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3knw h LEU 110 CO -0.17 0.62 -0.62 0.40 -0.34 0.00 0.00 178.44 178.33 3knw h ILE 111 N 1.08 1.42 0.02 4.05 2.04 -1.49 -3.24 117.51 121.39 3knw h ILE 111 Ca 0.37 -2.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 3knw h ILE 111 Cb 0.09 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3knw h ILE 111 CO -0.15 0.60 -0.01 0.58 0.00 0.00 0.00 178.15 179.17 3knw h VAL 112 N 0.07 1.39 0.00 1.67 2.07 -0.54 -0.51 116.25 120.40 3knw h VAL 112 Ca -0.01 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3knw h VAL 112 Cb 1.11 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 3knw h VAL 112 CO 0.09 0.34 0.00 0.29 0.02 0.00 0.00 177.57 178.31 3knw n LYS 113 N -4.83 0.00 0.00 1.57 4.76 0.23 -1.22 118.16 118.67 3knw n LYS 113 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3knw n LYS 113 Cb 0.29 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 3knw n LYS 113 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knw n ALA 115 N -0.12 0.00 -0.19 7.82 0.00 -0.20 -2.18 120.51 125.63 3knw n ALA 115 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3knw n ALA 115 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3knw n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knw h ALA 116 N 0.00 0.38 -0.68 0.00 0.00 -1.40 -2.06 119.26 115.50 3knw h ALA 116 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3knw h ALA 116 Cb 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 3knw h ALA 116 CO 0.00 -0.43 0.17 -0.85 0.00 0.00 0.00 179.25 178.14 3knw n GLU 117 N -5.41 4.21 0.24 0.00 0.28 -0.93 -4.63 120.64 114.40 3knw n GLU 117 Ca 0.06 -3.10 0.10 0.00 -0.16 0.00 0.00 57.16 54.06 3knw n GLU 117 Cb 0.30 -2.24 0.68 0.00 1.43 0.00 0.00 31.44 31.61 3knw n GLU 117 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3knw h VAL 118 N 3.20 0.91 -0.02 3.84 2.07 -1.65 -1.91 116.25 122.70 3knw h VAL 118 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 3knw h VAL 118 Cb 2.22 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3knw h VAL 118 CO 0.65 0.00 0.03 0.00 0.02 0.00 0.00 177.57 178.28 3knw h ALA 119 N 1.97 1.33 -0.01 1.67 0.00 -1.83 -2.99 119.26 119.39 3knw h ALA 119 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3knw h ALA 119 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3knw h ALA 119 CO -0.00 -0.04 -0.22 -0.25 0.00 0.00 0.00 179.25 178.73 3knw n ASP 120 N -3.48 1.10 -4.75 0.00 8.00 -0.72 -4.99 116.55 111.70 3knw n ASP 120 Ca -0.03 -1.05 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 3knw n ASP 120 Cb 0.11 0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 41.71 3knw n ASP 120 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3knw s LEU 121 N -1.67 4.41 0.47 0.64 2.96 -1.13 -4.99 118.68 119.37 3knw s LEU 121 Ca 0.07 2.63 -0.23 0.00 -0.22 0.00 0.00 54.13 56.38 3knw s LEU 121 Cb 0.08 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 3knw s LEU 121 CO 0.25 -0.61 1.09 -1.54 -1.32 0.00 0.00 176.35 174.23 3knw n SER 122 N 1.82 1.59 -0.34 3.68 3.41 -1.26 -4.86 113.62 117.65 3knw n SER 122 Ca 0.04 1.00 0.16 0.00 -0.26 0.00 0.00 58.87 59.81 3knw n SER 122 Cb 0.41 -1.42 0.37 0.00 -0.26 0.00 0.00 64.21 63.32 3knw n SER 122 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3knw h GLU 123 N 1.44 0.64 -0.00 4.33 4.39 -1.97 -2.14 114.58 121.27 3knw h GLU 123 Ca -0.47 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3knw h GLU 123 Cb 1.33 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3knw h GLU 123 CO 0.56 0.42 0.00 -0.25 -1.16 0.00 0.00 179.01 178.58 3knw n ASP 124 N -4.77 0.00 0.00 1.42 8.00 -1.26 -0.75 116.55 119.19 3knw n ASP 124 Ca 0.24 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.73 3knw n ASP 124 Cb 0.66 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 3knw n ASP 124 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3knw n ARG 126 N 0.13 0.00 -0.08 -1.24 0.63 -0.81 -1.70 116.66 113.60 3knw n ARG 126 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 3knw n ARG 126 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 3knw n ARG 126 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3knw h LEU 127 N 0.00 -0.02 -0.79 6.15 5.85 -1.21 0.50 115.31 125.78 3knw h LEU 127 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3knw h LEU 127 Cb 0.00 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3knw h LEU 127 CO 0.00 0.02 0.00 -0.38 -0.34 0.00 0.00 178.44 177.74 3knw n ILE 128 N -5.11 0.00 0.00 4.05 5.41 -0.69 -1.33 119.36 121.69 3knw n ILE 128 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3knw n ILE 128 Cb 0.13 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 3knw n ILE 128 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3knw n ASN 130 N 0.25 0.00 -0.03 4.38 4.13 0.16 -1.79 115.26 122.37 3knw n ASN 130 Ca 0.00 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 3knw n ASN 130 Cb 0.00 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.27 3knw n ASN 130 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3knw h ASP 131 N 0.00 0.75 -0.51 6.41 3.32 -1.45 -1.51 116.42 123.42 3knw h ASP 131 Ca 0.00 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 56.73 3knw h ASP 131 Cb 0.00 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 3knw h ASP 131 CO 0.00 1.11 0.22 1.23 -1.72 0.00 0.00 179.24 180.08 3knw h GLY 132 N 0.94 0.70 1.03 2.75 0.00 -1.60 -0.10 103.07 106.79 3knw h GLY 132 Ca 0.02 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 3knw h GLY 132 CO 0.10 0.05 -0.36 -2.08 0.00 0.00 0.00 176.54 174.26 3knw h VAL 133 N 0.42 1.29 -0.74 4.60 2.07 -1.82 -1.53 116.25 120.54 3knw h VAL 133 Ca 0.24 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.25 3knw h VAL 133 Cb 0.21 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3knw h VAL 133 CO -0.21 0.50 0.49 0.11 0.02 0.00 0.00 177.57 178.48 3knw h LYS 134 N 0.54 0.91 -0.51 1.57 1.79 -0.80 -1.91 116.57 118.16 3knw h LYS 134 Ca 0.04 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 3knw h LYS 134 Cb 0.94 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 3knw h LYS 134 CO 0.09 0.60 -0.16 0.00 -1.08 0.00 0.00 179.45 178.90 3knw h ARG 135 N 0.93 1.00 -0.40 3.15 3.08 -0.49 -2.72 114.38 118.92 3knw h ARG 135 Ca 0.29 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3knw h ARG 135 Cb -0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3knw h ARG 135 CO -0.08 1.08 0.19 1.25 -1.07 0.00 0.00 179.97 181.34 3knw h LEU 136 N 0.86 0.53 -1.33 3.04 5.85 -0.96 0.50 115.31 123.81 3knw h LEU 136 Ca 0.12 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3knw h LEU 136 Cb 0.73 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3knw h LEU 136 CO 0.06 0.51 0.32 0.40 -0.34 0.00 0.00 178.44 179.39 3knw h ILE 137 N 0.51 1.17 -0.16 4.05 2.04 -1.33 -2.61 117.51 121.18 3knw h ILE 137 Ca 0.14 -0.41 -0.22 0.00 1.00 0.00 0.00 64.86 65.37 3knw h ILE 137 Cb 0.13 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3knw h ILE 137 CO -0.02 0.18 -0.77 0.00 0.00 0.00 0.00 178.15 177.55 3knw h ALA 138 N 1.57 0.34 0.00 1.87 0.00 -1.09 0.17 119.26 122.11 3knw h ALA 138 Ca 0.20 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3knw h ALA 138 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3knw h ALA 138 CO -0.03 0.69 0.00 0.54 0.00 0.00 0.00 179.25 180.45 3knw n ARG 139 N -3.93 0.00 0.00 0.00 5.12 0.12 -0.58 116.66 117.39 3knw n ARG 139 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 3knw n ARG 139 Cb 0.74 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 3knw n ARG 139 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knw n ALA 141 N 0.94 0.00 -0.24 7.54 0.00 0.04 -1.53 120.51 127.26 3knw n ALA 141 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3knw n ALA 141 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 3knw n ALA 141 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3knw h ASP 142 N 0.00 0.34 -0.13 0.00 3.32 -1.12 -1.63 116.42 117.20 3knw h ASP 142 Ca 0.00 0.08 -0.19 0.00 0.02 0.00 0.00 57.03 56.95 3knw h ASP 142 Cb 0.00 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3knw h ASP 142 CO 0.00 0.17 -0.61 0.25 -1.72 0.00 0.00 179.24 177.33 3knw h LEU 143 N 0.50 0.84 -1.51 1.55 5.85 -1.54 -0.98 115.31 120.02 3knw h LEU 143 Ca 0.36 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3knw h LEU 143 Cb 0.47 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3knw h LEU 143 CO -0.33 1.25 -0.11 0.40 -0.34 0.00 0.00 178.44 179.31 3knw h ILE 144 N 0.55 1.15 0.00 4.05 2.04 -1.65 -1.35 117.51 122.31 3knw h ILE 144 Ca -0.00 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3knw h ILE 144 Cb 1.20 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3knw h ILE 144 CO 0.13 0.20 -0.00 -0.09 0.00 0.00 0.00 178.15 178.38 3knw h ARG 145 N 0.17 0.00 -0.91 2.37 2.43 -0.76 -1.57 114.38 116.12 3knw h ARG 145 Ca 0.04 -0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.45 3knw h ARG 145 Cb 0.31 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.73 3knw h ARG 145 CO 0.02 0.83 0.35 0.82 -1.51 0.00 0.00 179.97 180.47 3knw h ILE 146 N -0.82 0.37 -0.00 1.20 2.04 -1.13 0.01 117.51 119.17 3knw h ILE 146 Ca -0.00 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 3knw h ILE 146 Cb 0.83 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3knw h ILE 146 CO 0.00 0.05 -0.46 1.23 0.00 0.00 0.00 178.15 178.98 3knw h GLY 147 N 0.30 0.01 1.63 5.37 0.00 -1.01 -2.64 103.07 106.74 3knw h GLY 147 Ca 0.58 -0.01 -0.23 0.00 0.00 0.00 0.00 47.33 47.68 3knw h GLY 147 CO -0.60 0.00 -1.02 1.46 0.00 0.00 0.00 176.54 176.39 3knw h GLN 148 N 0.00 0.31 -0.25 4.80 4.20 -0.06 -1.34 115.11 122.77 3knw h GLN 148 Ca -0.00 -0.39 0.03 0.00 0.06 0.00 0.00 58.65 58.35 3knw h GLN 148 Cb 0.81 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 3knw h GLN 148 CO 0.06 1.10 0.04 1.96 -0.67 0.00 0.00 178.83 181.33 3knw h GLN 149 N 0.15 0.13 0.00 1.46 4.20 -0.78 -2.94 115.11 117.34 3knw h GLN 149 Ca -0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3knw h GLN 149 Cb 1.68 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.43 3knw h GLN 149 CO 0.17 0.09 0.00 0.93 -0.67 0.00 0.00 178.83 179.35 3knw h GLU 150 N 0.14 0.00 0.00 1.46 5.08 -1.51 -3.47 114.58 116.28 3knw h GLU 150 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3knw h GLU 150 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3knw h GLU 150 CO -0.16 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.26 3knw n GLY 151 N 1.04 0.75 0.20 -3.84 0.00 -0.92 -4.93 105.19 97.49 3knw n GLY 151 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3knw n GLY 151 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3knw h SER 152 N 0.00 0.00 -3.78 1.61 4.64 -1.57 -3.41 113.55 111.04 3knw h SER 152 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 3knw h SER 152 Cb 0.00 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.75 3knw h SER 152 CO 0.00 0.18 -0.72 -0.63 -0.87 0.00 0.00 176.83 174.80 3knw s ILE 153 N -3.21 2.76 -1.02 0.95 1.01 -0.66 -4.81 121.20 116.22 3knw s ILE 153 Ca 0.05 -1.53 0.27 0.00 0.00 0.00 0.00 60.65 59.43 3knw s ILE 153 Cb 0.07 -2.64 0.10 0.00 0.01 0.00 0.00 42.46 40.00 3knw s ILE 153 CO 0.68 -0.14 1.61 0.00 0.00 0.00 0.00 174.94 177.09 3knw n GLN 154 N 4.55 0.02 -2.23 2.79 3.00 -0.10 -4.32 117.38 121.09 3knw n GLN 154 Ca -0.12 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.50 3knw n GLN 154 Cb 0.43 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.16 3knw n GLN 154 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 3knw s THR 155 N -2.99 3.06 -1.15 5.09 -1.32 -0.27 -4.92 115.64 113.15 3knw s THR 155 Ca 0.12 0.77 0.23 0.00 -1.21 0.00 0.00 61.69 61.61 3knw s THR 155 Cb 0.18 -3.38 -0.08 0.00 -1.51 0.00 0.00 72.50 67.71 3knw s THR 155 CO 0.63 -0.04 1.17 -1.54 -2.21 0.00 0.00 174.62 172.64 3knw n SER 156 N -0.66 0.89 -4.71 8.08 3.41 -1.26 -4.95 113.62 114.41 3knw n SER 156 Ca 0.08 -0.74 -0.43 0.00 -0.26 0.00 0.00 58.87 57.53 3knw n SER 156 Cb 0.48 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 65.01 3knw n SER 156 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3knw n VAL 157 N -1.31 1.11 -2.03 -3.33 0.31 -1.26 -4.87 118.33 106.96 3knw n VAL 157 Ca 0.06 -0.28 -0.41 0.00 -0.01 0.00 0.00 64.34 63.70 3knw n VAL 157 Cb 0.35 -1.75 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 3knw n VAL 157 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3knw s VAL 158 N -0.16 2.53 0.44 2.52 1.01 -1.26 -4.77 120.40 120.72 3knw s VAL 158 Ca 0.64 0.53 0.18 0.00 0.00 0.00 0.00 61.98 63.33 3knw s VAL 158 Cb -0.56 -3.34 0.37 0.00 0.00 0.00 0.00 36.38 32.85 3knw s VAL 158 CO 0.51 0.12 1.92 -0.65 0.00 0.00 0.00 175.10 177.00 3knw h PRO 159 N 3.20 0.34 0.00 2.72 0.11 -1.89 -1.57 132.00 134.91 3knw h PRO 159 Ca -0.49 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 3knw h PRO 159 Cb 1.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3knw h PRO 159 CO 0.65 0.23 -0.62 -0.44 -0.21 0.00 0.00 178.00 177.61 3knw h ASP 160 N 0.36 0.00 0.03 -2.05 3.32 -1.89 -2.06 116.42 114.13 3knw h ASP 160 Ca 0.37 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.23 3knw h ASP 160 Cb 0.94 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.51 3knw h ASP 160 CO -0.11 0.62 -0.76 0.58 -1.72 0.00 0.00 179.24 177.85 3knw h VAL 161 N 0.00 1.41 -0.19 -1.35 2.07 -1.69 -3.30 116.25 113.20 3knw h VAL 161 Ca -0.01 -2.21 -0.18 0.00 0.82 0.00 0.00 66.70 65.13 3knw h VAL 161 Cb 1.25 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 33.69 3knw h VAL 161 CO 0.08 0.65 -0.61 0.25 0.02 0.00 0.00 177.57 177.96 3knw h LEU 162 N -0.04 0.73 -1.61 2.57 5.85 -1.19 -1.36 115.31 120.26 3knw h LEU 162 Ca -0.10 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 3knw h LEU 162 Cb 1.47 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3knw h LEU 162 CO 0.15 1.16 -0.02 0.00 -0.34 0.00 0.00 178.44 179.39 3knw h ALA 163 N 0.84 1.69 -0.06 1.25 0.00 -1.53 0.64 119.26 122.10 3knw h ALA 163 Ca -0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3knw h ALA 163 Cb 1.19 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3knw h ALA 163 CO 0.12 0.24 -0.35 1.96 0.00 0.00 0.00 179.25 181.21 3knw h GLN 164 N 0.21 0.33 0.02 0.00 4.20 -1.44 -0.71 115.11 117.73 3knw h GLN 164 Ca 0.05 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.50 3knw h GLN 164 Cb 0.19 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 3knw h GLN 164 CO 0.01 0.94 -0.20 0.28 -0.67 0.00 0.00 178.83 179.18 3knw h VAL 165 N -0.18 0.52 -0.10 -0.54 2.07 -0.87 0.43 116.25 117.58 3knw h VAL 165 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3knw h VAL 165 Cb 1.02 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3knw h VAL 165 CO 0.07 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.12 3knw h ILE 166 N -0.34 1.03 -0.41 4.57 2.04 -0.92 -2.82 117.51 120.67 3knw h ILE 166 Ca 0.05 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 3knw h ILE 166 Cb 0.40 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3knw h ILE 166 CO -0.17 0.03 -0.04 0.22 0.00 0.00 0.00 178.15 178.19 3knw h TYR 167 N 0.12 0.73 0.00 1.37 3.20 -0.89 -0.82 116.97 120.67 3knw h TYR 167 Ca 0.04 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3knw h TYR 167 Cb -0.00 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3knw h TYR 167 CO -0.07 0.71 0.00 1.04 -1.64 0.00 0.00 178.16 178.20 3knw n GLN 168 N -4.21 0.34 0.00 1.82 6.02 0.15 -2.00 117.38 119.50 3knw n GLN 168 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3knw n GLN 168 Cb 0.30 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.32 3knw n GLN 168 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3knw n TYR 170 N 0.57 0.00 -0.27 1.08 4.02 -0.32 -1.94 117.16 120.31 3knw n TYR 170 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3knw n TYR 170 Cb 0.13 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.65 3knw n TYR 170 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3knw h LEU 171 N 0.00 0.95 -0.05 7.72 3.38 -1.67 0.25 115.31 125.89 3knw h LEU 171 Ca 0.00 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 3knw h LEU 171 Cb 0.00 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.53 3knw h LEU 171 CO 0.00 0.68 -0.90 1.23 0.09 0.00 0.00 178.44 179.54 3knw h GLY 172 N 1.12 0.77 0.51 0.83 0.00 -1.66 -0.94 103.07 103.70 3knw h GLY 172 Ca 0.31 -1.26 0.09 0.00 0.00 0.00 0.00 47.33 46.46 3knw h GLY 172 CO -0.07 1.12 0.35 0.00 0.00 0.00 0.00 176.54 177.93 3knw h ALA 173 N 0.44 0.94 -0.71 3.60 0.00 -1.80 -1.70 119.26 120.03 3knw h ALA 173 Ca -0.10 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3knw h ALA 173 Cb 1.55 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 3knw h ALA 173 CO 0.18 -0.04 0.36 0.00 0.00 0.00 0.00 179.25 179.75 3knw h ALA 174 N 1.41 0.91 -0.10 0.00 0.00 -0.24 -1.00 119.26 120.23 3knw h ALA 174 Ca 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3knw h ALA 174 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3knw h ALA 174 CO -0.25 0.45 0.02 1.25 0.00 0.00 0.00 179.25 180.72 3knw h LEU 175 N 0.98 0.02 -0.66 0.00 6.46 -1.06 -2.41 115.31 118.64 3knw h LEU 175 Ca 0.25 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 3knw h LEU 175 Cb 0.08 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 3knw h LEU 175 CO -0.03 0.03 0.17 -0.07 -0.62 0.00 0.00 178.44 177.92 3knw h LEU 176 N 0.07 1.00 -1.03 2.25 3.38 -1.17 -2.36 115.31 117.45 3knw h LEU 176 Ca 0.04 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 57.92 3knw h LEU 176 Cb 0.03 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.43 3knw h LEU 176 CO -0.06 0.96 0.63 0.28 0.09 0.00 0.00 178.44 180.35 3knw h SER 177 N 0.98 0.90 -0.46 -0.43 0.02 -1.03 0.32 113.55 113.86 3knw h SER 177 Ca 0.21 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 3knw h SER 177 Cb 0.35 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3knw h SER 177 CO -0.00 0.46 0.02 0.11 -1.14 0.00 0.00 176.83 176.28 3knw h LYS 178 N 0.95 0.79 -0.41 3.45 1.79 -1.12 0.37 116.57 122.40 3knw h LYS 178 Ca 0.50 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.72 3knw h LYS 178 Cb 0.55 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 3knw h LYS 178 CO -0.27 0.84 0.18 1.25 -1.08 0.00 0.00 179.45 180.36 3knw h LEU 179 N 0.64 0.55 0.00 2.94 5.85 -0.74 -2.91 115.31 121.64 3knw h LEU 179 Ca 0.13 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3knw h LEU 179 Cb 0.46 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3knw h LEU 179 CO 0.02 0.54 -0.15 1.88 -0.34 0.00 0.00 178.44 180.39 3knw h TYR 180 N 0.51 0.00 -2.47 1.25 0.05 -0.37 -3.48 116.97 112.46 3knw h TYR 180 Ca 0.14 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.55 3knw h TYR 180 Cb 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 3knw h TYR 180 CO -0.01 0.00 -0.46 1.63 -1.05 0.00 0.00 178.16 178.27 3knw n LYS 181 N -2.94 -1.46 -3.88 4.88 5.02 0.13 -4.99 118.16 114.92 3knw n LYS 181 Ca 0.04 0.92 -0.08 0.00 -2.02 0.00 0.00 58.31 57.17 3knw n LYS 181 Cb 0.52 -5.43 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 3knw n LYS 181 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3knw s HIS 182 N -2.90 -0.01 -0.24 2.13 -3.43 -1.06 -5.02 115.29 104.77 3knw s HIS 182 Ca 0.00 -0.40 0.14 0.00 -0.80 0.00 0.00 55.06 54.00 3knw s HIS 182 Cb 0.00 0.50 0.79 0.00 -1.43 0.00 0.00 32.58 32.44 3knw s HIS 182 CO 0.00 -1.12 1.72 1.63 -2.00 0.00 0.00 174.74 174.97 3knw n LYS 183 N -0.42 4.62 -0.25 -0.38 5.02 -1.26 -4.36 118.16 121.13 3knw n LYS 183 Ca -0.04 -3.13 0.04 0.00 -2.02 0.00 0.00 58.31 53.16 3knw n LYS 183 Cb 0.60 -2.22 0.14 0.00 -0.02 0.00 0.00 35.03 33.53 3knw n LYS 183 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knw h ALA 184 N 3.67 0.72 -0.38 7.82 0.00 -1.96 0.28 119.26 129.41 3knw h ALA 184 Ca 0.02 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3knw h ALA 184 Cb 1.95 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 20.16 3knw h ALA 184 CO 0.48 -0.42 0.23 -1.35 0.00 0.00 0.00 179.25 178.19 3knw h PRO 185 N 0.08 0.50 -0.08 0.00 0.11 -1.86 -1.09 132.00 129.66 3knw h PRO 185 Ca 0.40 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.23 3knw h PRO 185 Cb 0.68 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.69 3knw h PRO 185 CO -0.68 0.35 -0.89 -0.07 -0.21 0.00 0.00 178.00 176.50 3knw h LEU 186 N 0.51 0.87 -1.13 2.35 3.38 -1.24 -1.99 115.31 118.06 3knw h LEU 186 Ca 0.14 -0.63 0.07 0.00 0.09 0.00 0.00 57.88 57.55 3knw h LEU 186 Cb -0.03 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 3knw h LEU 186 CO -0.03 1.43 0.59 -0.26 0.09 0.00 0.00 178.44 180.26 3knw h PHE 187 N 0.45 1.06 -0.13 1.13 0.04 -0.42 -1.82 116.94 117.24 3knw h PHE 187 Ca -0.08 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.61 3knw h PHE 187 Cb 1.53 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 39.33 3knw h PHE 187 CO 0.09 0.55 -0.34 0.37 -0.60 0.00 0.00 178.31 178.37 3knw h GLN 188 N 1.04 0.46 -0.80 1.51 5.75 -1.02 -2.73 115.11 119.32 3knw h GLN 188 Ca 0.40 -0.32 0.19 0.00 -0.15 0.00 0.00 58.65 58.76 3knw h GLN 188 Cb 0.21 0.05 -0.13 0.00 1.07 0.00 0.00 27.48 28.67 3knw h GLN 188 CO -0.15 0.94 0.11 0.00 -2.65 0.00 0.00 178.83 177.07 3knw h ALA 189 N 0.52 0.98 -0.38 3.38 0.00 -1.11 0.23 119.26 122.88 3knw h ALA 189 Ca -0.01 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3knw h ALA 189 Cb 0.96 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3knw h ALA 189 CO 0.07 -0.43 -0.03 -0.07 0.00 0.00 0.00 179.25 178.79 3knw h LEU 190 N 0.16 -0.23 -0.56 0.00 3.38 -1.23 0.20 115.31 117.03 3knw h LEU 190 Ca 0.46 0.10 -0.15 0.00 0.09 0.00 0.00 57.88 58.38 3knw h LEU 190 Cb 0.86 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3knw h LEU 190 CO -0.65 -0.07 -0.45 -0.08 0.09 0.00 0.00 178.44 177.28 3knw h GLU 191 N 0.07 0.65 -0.41 1.13 4.57 -0.49 -2.99 114.58 117.10 3knw h GLU 191 Ca 0.19 -0.36 -0.11 0.00 -1.18 0.00 0.00 59.36 57.90 3knw h GLU 191 Cb 0.27 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3knw h GLU 191 CO -0.34 0.96 -0.20 0.77 -1.18 0.00 0.00 179.01 179.02 3knw h SER 192 N 0.52 0.82 -0.17 1.04 0.02 -0.41 -2.86 113.55 112.50 3knw h SER 192 Ca 0.03 -0.29 0.05 0.00 -0.84 0.00 0.00 61.79 60.74 3knw h SER 192 Cb 0.98 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 3knw h SER 192 CO 0.09 1.01 0.21 0.74 -1.14 0.00 0.00 176.83 177.74 3knw h THR 193 N 0.71 0.42 -0.41 -2.27 2.02 -0.46 -3.44 112.91 109.49 3knw h THR 193 Ca 0.10 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.73 3knw h THR 193 Cb 0.72 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3knw h THR 193 CO 0.06 0.00 1.94 0.29 0.37 0.00 0.00 175.52 178.17 3knw n LYS 194 N -3.71 2.19 0.00 6.66 5.02 -1.08 -4.74 118.16 122.49 3knw n LYS 194 Ca 0.01 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.73 3knw n LYS 194 Cb 0.33 -3.43 0.00 0.00 -0.02 0.00 0.00 35.03 31.91 3knw n LYS 194 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3knw n LEU 197 N 10.11 0.00 -0.29 -0.35 4.77 -1.26 -5.12 117.00 124.87 3knw n LEU 197 Ca 0.48 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.61 3knw n LEU 197 Cb 0.44 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.22 3knw n LEU 197 CO 0.81 0.00 0.97 0.47 -1.33 0.00 0.00 177.39 178.31