#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kae h LEU 5 N 0.00 0.00 0.84 -0.35 3.38 -2.00 -3.01 115.31 114.18 3kae h LEU 5 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kae h LEU 5 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kae h LEU 5 CO 0.00 0.00 -0.40 0.40 0.09 0.00 0.00 178.44 178.53 3kae h ILE 6 N 0.00 0.10 -0.94 1.22 1.08 -1.99 -0.83 117.51 116.15 3kae h ILE 6 Ca 0.03 -0.10 0.20 0.00 -0.39 0.00 0.00 64.86 64.60 3kae h ILE 6 Cb 0.13 0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 33.92 3kae h ILE 6 CO -0.00 0.01 0.61 1.23 -0.69 0.00 0.00 178.15 179.30 3kae h GLY 7 N -1.22 1.14 1.76 5.37 0.00 -1.97 0.17 103.07 108.32 3kae h GLY 7 Ca -0.12 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 3kae h GLY 7 CO 0.19 -0.02 -0.58 0.07 0.00 0.00 0.00 176.54 176.21 3kae h LYS 8 N 0.52 0.25 -0.11 4.80 5.09 -1.47 -1.45 116.57 124.21 3kae h LYS 8 Ca 0.50 -0.17 -0.05 0.00 0.09 0.00 0.00 60.65 61.02 3kae h LYS 8 Cb 1.09 0.02 -0.00 0.00 0.10 0.00 0.00 32.23 33.44 3kae h LYS 8 CO -0.23 0.76 -0.14 0.82 -2.09 0.00 0.00 179.45 178.57 3kae h ILE 9 N 0.19 1.37 -0.55 0.07 2.04 0.76 -1.79 117.51 119.61 3kae h ILE 9 Ca -0.00 -1.34 0.06 0.00 1.00 0.00 0.00 64.86 64.58 3kae h ILE 9 Cb 1.07 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 39.09 3kae h ILE 9 CO 0.09 0.38 0.25 0.00 0.00 0.00 0.00 178.15 178.87 3kae h LYS 11 N 0.47 0.96 -0.13 0.00 3.64 -1.23 -0.97 116.57 119.31 3kae h LYS 11 Ca 0.25 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3kae h LYS 11 Cb 0.22 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kae h LYS 11 CO -0.21 0.68 -0.46 0.77 -2.27 0.00 0.00 179.45 177.96 3kae h SER 12 N 0.98 0.35 0.20 4.20 0.02 -0.29 -2.06 113.55 116.95 3kae h SER 12 Ca 0.26 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3kae h SER 12 Cb -0.03 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3kae h SER 12 CO -0.05 0.76 -0.10 0.40 -1.14 0.00 0.00 176.83 176.71 3kae h ILE 13 N 0.26 0.90 -0.93 3.27 2.04 -0.46 0.38 117.51 122.97 3kae h ILE 13 Ca 0.02 -0.70 0.27 0.00 1.00 0.00 0.00 64.86 65.44 3kae h ILE 13 Cb 0.92 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 3kae h ILE 13 CO 0.08 0.15 0.71 -0.09 0.00 0.00 0.00 178.15 179.00 3kae h ARG 14 N -0.63 0.00 -0.11 2.37 2.43 -1.17 0.50 114.38 117.77 3kae h ARG 14 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3kae h ARG 14 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3kae h ARG 14 CO 0.04 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.16 3kae n TYR 15 N -4.12 0.12 -1.72 2.20 4.02 -0.78 -4.92 117.16 111.97 3kae n TYR 15 Ca 0.19 -0.06 -0.16 0.00 -0.01 0.00 0.00 57.90 57.86 3kae n TYR 15 Cb 1.03 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.30 3kae n TYR 15 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3kae n ARG 16 N 1.11 -1.19 -3.00 -0.72 5.12 0.17 -4.90 116.66 113.26 3kae n ARG 16 Ca 0.16 1.00 -0.44 0.00 -1.93 0.00 0.00 57.85 56.64 3kae n ARG 16 Cb 0.54 -5.25 -0.00 0.00 -1.16 0.00 0.00 32.46 26.59 3kae n ARG 16 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3kae s ASP 17 N -2.66 7.08 0.06 0.55 2.15 0.12 -4.84 116.67 119.12 3kae s ASP 17 Ca 0.00 -3.03 -0.10 0.00 0.43 0.00 0.00 52.55 49.85 3kae s ASP 17 Cb 0.00 -2.38 -0.30 0.00 -0.30 0.00 0.00 42.92 39.94 3kae s ASP 17 CO 0.00 -0.70 1.09 1.88 -0.17 0.00 0.00 175.17 177.27 3kae h TYR 18 N 7.17 0.78 -0.60 -5.34 0.05 -1.91 -3.00 116.97 114.11 3kae h TYR 18 Ca 0.29 -0.55 0.11 0.00 0.05 0.00 0.00 58.73 58.64 3kae h TYR 18 Cb 0.88 -0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.49 3kae h TYR 18 CO 1.06 1.42 0.11 0.93 -1.05 0.00 0.00 178.16 180.63 3kae h GLU 19 N 0.14 0.23 -0.67 4.88 4.39 -1.95 0.33 114.58 121.94 3kae h GLU 19 Ca -0.19 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3kae h GLU 19 Cb 2.02 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 30.59 3kae h GLU 19 CO 0.24 0.15 0.44 1.15 -1.16 0.00 0.00 179.01 179.83 3kae h THR 20 N 0.24 1.18 -0.61 1.13 2.02 -1.95 -0.31 112.91 114.60 3kae h THR 20 Ca 0.31 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 3kae h THR 20 Cb 0.47 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3kae h THR 20 CO -0.41 0.17 0.01 0.00 0.37 0.00 0.00 175.52 175.66 3kae h ALA 21 N 1.24 0.82 -0.26 6.16 0.00 -0.99 0.18 119.26 126.41 3kae h ALA 21 Ca 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kae h ALA 21 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3kae h ALA 21 CO -0.05 0.66 0.10 0.82 0.00 0.00 0.00 179.25 180.77 3kae h ILE 22 N 0.98 1.18 0.29 0.00 2.04 -0.21 -0.14 117.51 121.64 3kae h ILE 22 Ca 0.17 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3kae h ILE 22 Cb 0.55 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3kae h ILE 22 CO 0.03 0.19 -0.14 0.15 0.00 0.00 0.00 178.15 178.38 3kae h PHE 23 N 0.27 -0.36 0.00 1.37 3.04 -0.69 0.11 116.94 120.67 3kae h PHE 23 Ca 0.09 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 3kae h PHE 23 Cb 0.20 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 3kae h PHE 23 CO -0.00 -0.18 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.02 3kae h LEU 24 N -0.45 0.00 -0.16 0.59 3.38 -0.67 -1.26 115.31 116.74 3kae h LEU 24 Ca -0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 3kae h LEU 24 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3kae h LEU 24 CO 0.07 0.02 -0.62 0.00 0.09 0.00 0.00 178.44 177.99 3kae h ALA 25 N 1.98 0.29 -0.42 1.53 0.00 -0.50 -2.95 119.26 119.18 3kae h ALA 25 Ca -0.00 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.41 3kae h ALA 25 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kae h ALA 25 CO 0.00 0.55 0.28 0.00 0.00 0.00 0.00 179.25 180.09 3kae h ALA 26 N 0.54 1.89 0.00 0.00 0.00 0.35 -0.29 119.26 121.75 3kae h ALA 26 Ca -0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3kae h ALA 26 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3kae h ALA 26 CO 0.13 0.05 -0.50 0.00 0.00 0.00 0.00 179.25 178.93 3kae h LEU 28 N 0.00 0.00 -0.87 0.00 5.85 -0.90 -3.36 115.31 116.03 3kae h LEU 28 Ca -0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 3kae h LEU 28 Cb 0.97 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.84 3kae h LEU 28 CO 0.06 0.72 -0.05 0.18 -0.34 0.00 0.00 178.44 179.02 3kae n LEU 29 N -3.13 -0.16 0.01 2.25 4.77 -0.90 -1.98 117.00 117.86 3kae n LEU 29 Ca -0.05 1.48 -0.01 0.00 -0.03 0.00 0.00 56.01 57.41 3kae n LEU 29 Cb 0.86 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3kae n LEU 29 CO 0.43 -1.48 0.34 -0.65 -1.33 0.00 0.00 177.39 174.71 3kae h PRO 30 N 0.00 -0.04 0.00 3.23 0.11 -1.82 -3.21 132.00 130.28 3kae h PRO 30 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3kae h PRO 30 Cb 0.96 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3kae h PRO 30 CO -0.84 -0.02 0.00 0.00 -0.21 0.00 0.00 178.00 176.93 3kae s LYS 32 N -2.79 1.54 0.53 0.00 0.00 -0.84 -4.95 119.74 113.22 3kae s LYS 32 Ca 0.00 -2.02 0.35 0.00 0.00 0.00 0.00 55.97 54.30 3kae s LYS 32 Cb 0.00 -3.08 1.63 0.00 0.00 0.00 0.00 37.83 36.38 3kae s LYS 32 CO 0.00 -1.00 2.04 -1.35 0.00 0.00 0.00 175.35 175.04 3kae h PRO 33 N 7.29 0.00 -0.31 1.78 0.11 -1.71 -3.14 132.00 136.02 3kae h PRO 33 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3kae h PRO 33 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kae h PRO 33 CO 0.56 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 3kae n GLU 34 N -2.90 0.33 -0.11 1.05 4.71 -1.26 -2.28 120.64 120.17 3kae n GLU 34 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.15 3kae n GLU 34 Cb 0.20 -1.16 0.01 0.00 -1.01 0.00 0.00 31.44 29.48 3kae n GLU 34 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3kae n TYR 35 N 0.29 0.00 0.26 -0.32 4.01 -1.19 -4.74 117.16 115.48 3kae n TYR 35 Ca 0.00 -0.15 0.15 0.00 -0.16 0.00 0.00 57.90 57.74 3kae n TYR 35 Cb 0.08 -0.03 0.68 0.00 -0.31 0.00 0.00 39.34 39.76 3kae n TYR 35 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kae h ARG 36 N 0.00 0.00 -0.22 -0.72 2.43 -1.72 -1.80 114.38 112.35 3kae h ARG 36 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3kae h ARG 36 Cb 1.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3kae h ARG 36 CO 0.00 0.09 0.14 1.98 -1.51 0.00 0.00 179.97 180.67 3kae h MET 37 N 0.00 0.27 -0.69 0.20 4.05 -1.85 -2.10 114.93 114.81 3kae h MET 37 Ca -0.00 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.47 3kae h MET 37 Cb 0.49 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.17 3kae h MET 37 CO 0.01 0.18 0.38 1.25 0.23 0.00 0.00 176.91 178.96 3kae h LEU 38 N 0.28 0.55 -0.29 3.39 5.85 -1.67 0.46 115.31 123.87 3kae h LEU 38 Ca 0.08 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3kae h LEU 38 Cb -0.02 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3kae h LEU 38 CO -0.03 0.34 0.10 -0.03 -0.34 0.00 0.00 178.44 178.48 3kae h MET 39 N 0.68 0.22 -0.50 1.25 4.05 -1.45 -1.21 114.93 117.98 3kae h MET 39 Ca 0.32 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.76 3kae h MET 39 Cb 0.23 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 3kae h MET 39 CO -0.20 0.15 0.28 0.77 0.23 0.00 0.00 176.91 178.13 3kae h SER 40 N 0.23 0.43 0.51 1.39 0.02 -0.31 -1.27 113.55 114.55 3kae h SER 40 Ca 0.13 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3kae h SER 40 Cb 0.09 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3kae h SER 40 CO -0.13 0.30 -0.24 0.40 -1.14 0.00 0.00 176.83 176.02 3kae h ILE 41 N 0.55 0.50 -0.52 3.27 2.04 -0.74 -0.10 117.51 122.51 3kae h ILE 41 Ca 0.21 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.09 3kae h ILE 41 Cb 0.07 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3kae h ILE 41 CO -0.12 0.00 0.35 0.58 0.00 0.00 0.00 178.15 178.96 3kae h VAL 42 N -0.68 1.09 -0.54 1.67 2.07 -1.13 0.28 116.25 119.01 3kae h VAL 42 Ca -0.07 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3kae h VAL 42 Cb 0.52 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kae h VAL 42 CO 0.11 0.12 -0.03 0.25 0.02 0.00 0.00 177.57 178.04 3kae h LEU 43 N 0.65 0.97 0.06 2.57 5.85 -1.03 -1.49 115.31 122.87 3kae h LEU 43 Ca 0.20 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3kae h LEU 43 Cb 0.02 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.79 3kae h LEU 43 CO -0.05 1.05 -0.03 0.22 -0.34 0.00 0.00 178.44 179.30 3kae h TYR 44 N 0.86 -0.07 -0.36 1.25 3.20 0.11 0.04 116.97 122.01 3kae h TYR 44 Ca 0.15 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.12 3kae h TYR 44 Cb 0.57 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3kae h TYR 44 CO 0.04 0.02 0.26 -0.07 -1.64 0.00 0.00 178.16 176.77 3kae h LEU 45 N -0.14 0.00 -0.96 2.82 3.38 -0.39 0.13 115.31 120.15 3kae h LEU 45 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kae h LEU 45 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kae h LEU 45 CO 0.01 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.34 3kae n ASN 46 N -4.40 1.42 0.00 -0.43 4.05 -0.58 -4.88 115.26 110.45 3kae n ASN 46 Ca 0.06 -1.80 0.00 0.00 0.45 0.00 0.00 54.58 53.29 3kae n ASN 46 Cb 0.44 -0.13 0.00 0.00 1.23 0.00 0.00 39.78 41.32 3kae n ASN 46 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kae n GLY 47 N 1.02 0.45 3.18 8.20 0.00 0.44 -4.99 105.19 113.48 3kae n GLY 47 Ca 0.13 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3kae n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kae n GLU 48 N -2.97 3.14 -0.02 1.61 1.02 -0.04 -4.89 120.64 118.49 3kae n GLU 48 Ca 0.00 -4.48 -0.17 0.00 -0.02 0.00 0.00 57.16 52.49 3kae n GLU 48 Cb 0.00 -2.47 -0.09 0.00 -0.02 0.00 0.00 31.44 28.86 3kae n GLU 48 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3kae h TYR 49 N 6.15 0.78 -0.71 -0.32 0.05 -1.88 -1.36 116.97 119.68 3kae h TYR 49 Ca 0.17 -0.36 -0.05 0.00 0.05 0.00 0.00 58.73 58.55 3kae h TYR 49 Cb 0.81 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.41 3kae h TYR 49 CO 0.75 1.15 0.24 1.15 -1.05 0.00 0.00 178.16 180.40 3kae h THR 50 N 0.19 1.25 -0.47 -2.88 2.02 -1.91 -0.25 112.91 110.87 3kae h THR 50 Ca -0.05 -0.86 -0.13 0.00 0.77 0.00 0.00 66.41 66.15 3kae h THR 50 Cb 1.24 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3kae h THR 50 CO 0.12 0.34 -0.20 0.03 0.37 0.00 0.00 175.52 176.18 3kae h ARG 51 N 1.05 0.96 -0.58 6.66 3.08 -1.96 -2.76 114.38 120.84 3kae h ARG 51 Ca 0.23 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3kae h ARG 51 Cb 0.27 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3kae h ARG 51 CO -0.01 1.08 0.16 0.00 -1.07 0.00 0.00 179.97 180.12 3kae h ALA 52 N 0.86 1.18 -0.76 0.04 0.00 -0.85 -2.51 119.26 117.22 3kae h ALA 52 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kae h ALA 52 Cb 0.77 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3kae h ALA 52 CO 0.06 0.57 0.34 -0.07 0.00 0.00 0.00 179.25 180.14 3kae h LEU 53 N 0.86 1.01 -0.64 0.00 3.38 -0.90 -0.31 115.31 118.70 3kae h LEU 53 Ca 0.19 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.13 3kae h LEU 53 Cb 0.29 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 3kae h LEU 53 CO -0.00 0.87 0.25 -0.26 0.09 0.00 0.00 178.44 179.38 3kae h PHE 54 N 1.09 0.43 -0.02 1.13 0.05 -1.16 0.95 116.94 119.41 3kae h PHE 54 Ca 0.26 0.03 -0.18 0.00 3.82 0.00 0.00 57.97 61.90 3kae h PHE 54 Cb 0.15 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 3kae h PHE 54 CO 0.02 0.10 -0.79 0.45 -0.18 0.00 0.00 178.31 177.91 3kae h HIS 55 N 0.43 0.27 -0.12 -0.55 3.86 -1.30 -3.26 115.15 114.47 3kae h HIS 55 Ca 0.33 -0.14 -0.15 0.00 -1.16 0.00 0.00 60.37 59.25 3kae h HIS 55 Cb 0.42 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3kae h HIS 55 CO -0.17 0.90 -0.57 -0.07 0.86 0.00 0.00 177.93 178.89 3kae h LEU 56 N 0.12 0.43 -1.97 2.43 3.38 0.18 -2.62 115.31 117.25 3kae h LEU 56 Ca -0.03 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3kae h LEU 56 Cb 1.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3kae h LEU 56 CO 0.12 0.90 0.18 0.45 0.09 0.00 0.00 178.44 180.19 3kae h HIS 57 N 0.29 0.03 0.00 1.13 3.86 -0.91 0.13 115.15 119.68 3kae h HIS 57 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kae h HIS 57 Cb 1.08 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3kae h HIS 57 CO 0.03 0.02 0.00 1.63 0.86 0.00 0.00 177.93 180.47 3kae n LYS 58 N -4.47 0.63 -4.56 2.45 4.01 -0.99 -4.81 118.16 110.42 3kae n LYS 58 Ca 0.03 0.02 -0.26 0.00 -0.51 0.00 0.00 58.31 57.59 3kae n LYS 58 Cb 0.32 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.23 3kae n LYS 58 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3kae s LEU 59 N -2.18 2.60 -0.48 -0.35 1.43 0.44 -5.11 118.68 115.04 3kae s LEU 59 Ca 0.32 -1.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.10 3kae s LEU 59 Cb 0.16 -0.70 0.23 0.00 0.03 0.00 0.00 46.19 45.92 3kae s LEU 59 CO 0.30 -0.53 0.82 -3.20 0.23 0.00 0.00 176.35 173.98 3kae n ASN 60 N -0.88 -2.60 -4.43 2.29 2.85 -1.26 -4.94 115.26 106.28 3kae n ASN 60 Ca -0.04 -3.18 -0.25 0.00 -0.11 0.00 0.00 54.58 51.00 3kae n ASN 60 Cb 0.67 1.52 -0.10 0.00 1.24 0.00 0.00 39.78 43.11 3kae n ASN 60 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3kae s THR 61 N 0.51 1.14 0.24 -0.44 -4.23 -1.26 -2.01 115.64 109.59 3kae s THR 61 Ca 0.32 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.78 3kae s THR 61 Cb 0.19 -2.61 0.20 0.00 1.34 0.00 0.00 72.50 71.63 3kae s THR 61 CO -0.21 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.70 3kae h THR 63 N 0.85 1.31 -0.06 0.00 2.02 -1.91 -0.89 112.91 114.23 3kae h THR 63 Ca 0.38 -1.60 -0.11 0.00 0.77 0.00 0.00 66.41 65.84 3kae h THR 63 Cb 0.26 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3kae h THR 63 CO -0.21 0.50 -0.41 0.77 0.37 0.00 0.00 175.52 176.54 3kae h SER 64 N 0.43 0.46 -0.19 4.18 4.64 -1.81 -1.94 113.55 119.32 3kae h SER 64 Ca 0.03 -0.68 -0.06 0.00 -0.47 0.00 0.00 61.79 60.61 3kae h SER 64 Cb 0.92 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 3kae h SER 64 CO 0.08 1.07 -0.08 0.11 -0.87 0.00 0.00 176.83 177.14 3kae h LYS 65 N -0.12 0.53 0.36 4.77 1.79 -0.94 0.12 116.57 123.07 3kae h LYS 65 Ca -0.04 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 3kae h LYS 65 Cb 1.08 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3kae h LYS 65 CO 0.08 0.61 -0.17 -0.92 -1.08 0.00 0.00 179.45 177.98 3kae h TYR 66 N 0.50 -0.44 0.00 -1.35 3.20 -1.08 -0.96 116.97 116.83 3kae h TYR 66 Ca 0.10 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 3kae h TYR 66 Cb 0.44 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 3kae h TYR 66 CO 0.02 -0.19 -0.12 1.88 -1.64 0.00 0.00 178.16 178.10 3kae h TYR 67 N -0.62 0.00 0.02 -3.82 -1.99 -1.18 -1.21 116.97 108.17 3kae h TYR 67 Ca -0.05 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 3kae h TYR 67 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 3kae h TYR 67 CO -0.02 0.12 -0.01 1.49 -0.00 0.00 0.00 178.16 179.74 3kae h GLU 68 N 0.00 -0.02 -0.76 4.88 4.81 -0.50 -0.29 114.58 122.70 3kae h GLU 68 Ca -0.00 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3kae h GLU 68 Cb 0.22 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3kae h GLU 68 CO 0.02 0.05 0.45 1.03 -0.73 0.00 0.00 179.01 179.83 3kae h SER 69 N -0.09 0.70 -0.48 1.04 0.87 -0.36 0.05 113.55 115.28 3kae h SER 69 Ca -0.00 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3kae h SER 69 Cb 0.08 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3kae h SER 69 CO 0.00 0.45 0.31 -0.07 -0.53 0.00 0.00 176.83 176.99 3kae h LEU 70 N 0.83 0.52 -0.38 2.23 3.38 -0.88 0.28 115.31 121.29 3kae h LEU 70 Ca 0.33 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 3kae h LEU 70 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kae h LEU 70 CO -0.17 0.37 0.06 0.00 0.09 0.00 0.00 178.44 178.79 3kae h TYR 72 N 0.47 1.17 -0.41 0.00 0.05 -0.79 -2.01 116.97 115.44 3kae h TYR 72 Ca 0.11 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 3kae h TYR 72 Cb 0.37 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3kae h TYR 72 CO 0.03 0.65 -0.06 -0.22 -1.05 0.00 0.00 178.16 177.50 3kae h LYS 73 N 1.19 0.77 -0.60 4.88 3.64 -0.45 0.11 116.57 126.11 3kae h LYS 73 Ca 0.40 -0.28 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3kae h LYS 73 Cb 0.07 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 3kae h LYS 73 CO -0.14 0.88 0.40 0.87 -2.27 0.00 0.00 179.45 179.19 3kae h LYS 74 N 0.59 0.56 -0.26 1.90 1.79 -0.89 -0.21 116.57 120.06 3kae h LYS 74 Ca 0.11 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3kae h LYS 74 Cb 0.58 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3kae h LYS 74 CO 0.03 0.37 0.00 1.63 -1.08 0.00 0.00 179.45 180.40 3kae n LYS 75 N -4.48 1.82 -1.52 3.15 5.02 -0.78 -4.92 118.16 116.45 3kae n LYS 75 Ca 0.08 -1.25 -0.18 0.00 -2.02 0.00 0.00 58.31 54.94 3kae n LYS 75 Cb 0.24 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 3kae n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kae n LYS 76 N 0.48 -1.40 -2.63 1.97 5.02 -0.09 -4.89 118.16 116.62 3kae n LYS 76 Ca 0.15 1.07 -0.43 0.00 -2.02 0.00 0.00 58.31 57.08 3kae n LYS 76 Cb 0.34 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 29.94 3kae n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kae n ASP 77 N -1.07 4.99 0.10 4.39 -0.08 0.23 -4.82 116.55 120.30 3kae n ASP 77 Ca -0.18 -2.97 0.00 0.00 -1.51 0.00 0.00 54.79 50.14 3kae n ASP 77 Cb 0.60 -1.62 0.32 0.00 2.34 0.00 0.00 41.12 42.75 3kae n ASP 77 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3kae h TYR 78 N 6.97 0.28 -0.54 -0.67 0.05 -1.90 -1.28 116.97 119.87 3kae h TYR 78 Ca 0.39 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 59.02 3kae h TYR 78 Cb 0.81 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 3kae h TYR 78 CO 1.26 0.48 -0.07 0.87 -1.05 0.00 0.00 178.16 179.64 3kae h LYS 79 N 0.23 0.98 -0.09 4.88 6.56 -1.96 0.60 116.57 127.77 3kae h LYS 79 Ca 0.04 -0.34 -0.18 0.00 -1.06 0.00 0.00 60.65 59.12 3kae h LYS 79 Cb 0.55 -0.08 0.01 0.00 -0.57 0.00 0.00 32.23 32.14 3kae h LYS 79 CO 0.04 1.01 -0.63 0.87 -2.06 0.00 0.00 179.45 178.67 3kae h LYS 80 N 0.88 0.59 -0.43 3.15 1.57 -1.89 -1.17 116.57 119.28 3kae h LYS 80 Ca 0.15 -0.51 0.09 0.00 -1.87 0.00 0.00 60.65 58.50 3kae h LYS 80 Cb 0.62 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.95 3kae h LYS 80 CO 0.04 1.14 -0.17 0.00 -0.57 0.00 0.00 179.45 179.88 3kae h ALA 81 N 0.46 0.17 0.14 3.86 0.00 -0.98 0.62 119.26 123.53 3kae h ALA 81 Ca -0.05 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kae h ALA 81 Cb 1.29 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3kae h ALA 81 CO 0.13 -0.52 -0.07 0.82 0.00 0.00 0.00 179.25 179.61 3kae h ILE 82 N -0.08 0.88 -0.94 0.00 2.04 -0.86 -2.60 117.51 115.95 3kae h ILE 82 Ca 0.21 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 66.16 3kae h ILE 82 Cb 0.41 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 3kae h ILE 82 CO -0.49 0.01 0.56 0.11 0.00 0.00 0.00 178.15 178.34 3kae h LYS 83 N -0.20 0.83 -0.62 2.37 1.57 -0.72 -1.54 116.57 118.25 3kae h LYS 83 Ca -0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3kae h LYS 83 Cb 0.16 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3kae h LYS 83 CO 0.03 0.55 0.28 0.77 -0.57 0.00 0.00 179.45 180.50 3kae h SER 84 N 0.85 0.84 -0.32 0.86 0.02 -0.61 -2.73 113.55 112.46 3kae h SER 84 Ca 0.48 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.16 3kae h SER 84 Cb 0.55 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3kae h SER 84 CO -0.30 0.76 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.80 3kae h LEU 85 N 0.86 0.79 -1.63 5.07 3.38 -0.98 -3.01 115.31 119.79 3kae h LEU 85 Ca 0.21 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3kae h LEU 85 Cb 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kae h LEU 85 CO -0.02 1.09 0.28 -0.33 0.09 0.00 0.00 178.44 179.55 3kae h GLU 86 N 0.51 0.47 -0.88 1.13 5.08 -1.18 -0.54 114.58 119.17 3kae h GLU 86 Ca 0.05 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 3kae h GLU 86 Cb 0.85 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 3kae h GLU 86 CO 0.07 0.31 0.48 0.77 -1.00 0.00 0.00 179.01 179.64 3kae h SER 87 N 0.49 0.60 0.52 1.42 0.02 -1.34 0.59 113.55 115.85 3kae h SER 87 Ca 0.17 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3kae h SER 87 Cb 0.07 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.60 3kae h SER 87 CO -0.04 0.25 -0.25 0.40 -1.14 0.00 0.00 176.83 176.05 3kae h ILE 88 N 0.67 0.12 -0.42 3.27 2.04 -1.19 0.16 117.51 122.16 3kae h ILE 88 Ca 0.48 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3kae h ILE 88 Cb 0.68 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3kae h ILE 88 CO -0.36 0.02 0.28 -0.07 0.00 0.00 0.00 178.15 178.03 3kae h LEU 89 N -1.14 0.32 -0.07 1.44 3.38 -1.17 0.54 115.31 118.61 3kae h LEU 89 Ca -0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kae h LEU 89 Cb 0.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kae h LEU 89 CO 0.12 0.21 -0.02 -0.62 0.09 0.00 0.00 178.44 178.22 3kae n GLU 90 N -4.48 0.70 -3.25 1.13 1.02 0.21 -4.95 120.64 111.02 3kae n GLU 90 Ca 0.05 -0.07 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 3kae n GLU 90 Cb 0.22 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.21 3kae n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kae n GLY 91 N 1.19 -0.17 1.57 0.62 0.00 0.19 -4.95 105.19 103.64 3kae n GLY 91 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3kae n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kae n LYS 92 N -3.73 2.17 -4.35 1.61 5.02 0.51 -5.00 118.16 114.40 3kae n LYS 92 Ca -0.06 -3.28 -0.20 0.00 -2.02 0.00 0.00 58.31 52.75 3kae n LYS 92 Cb 0.57 -1.98 -0.11 0.00 -0.02 0.00 0.00 35.03 33.50 3kae n LYS 92 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kae s VAL 93 N -3.56 1.83 0.48 -0.18 -7.23 -1.26 -4.94 120.40 105.54 3kae s VAL 93 Ca 0.50 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.52 3kae s VAL 93 Cb 0.43 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 3kae s VAL 93 CO 0.02 -0.46 0.77 -1.61 -0.31 0.00 0.00 175.10 173.51 3kae s GLU 94 N -3.27 3.35 0.21 4.82 0.41 -0.85 -4.86 118.70 118.52 3kae s GLU 94 Ca 0.20 0.02 -0.30 0.00 -0.41 0.00 0.00 54.97 54.48 3kae s GLU 94 Cb -0.03 -2.41 -0.09 0.00 -1.78 0.00 0.00 34.13 29.82 3kae s GLU 94 CO 0.07 -0.27 1.39 1.03 -0.49 0.00 0.00 175.26 176.99 3kae s ARG 95 N -4.72 4.32 0.77 1.61 0.52 -1.26 -3.63 118.95 116.55 3kae s ARG 95 Ca 0.48 2.19 -0.15 0.00 -0.52 0.00 0.00 55.73 57.73 3kae s ARG 95 Cb -0.10 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.24 3kae s ARG 95 CO 0.43 -0.37 0.90 -0.25 0.02 0.00 0.00 175.30 176.04 3kae n ASP 96 N 2.68 0.09 -4.76 0.23 8.00 -1.26 -4.94 116.55 116.60 3kae n ASP 96 Ca 0.07 0.60 -0.37 0.00 0.71 0.00 0.00 54.79 55.80 3kae n ASP 96 Cb 0.41 -1.38 0.02 0.00 -0.02 0.00 0.00 41.12 40.15 3kae n ASP 96 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3kae s PRO 97 N -3.49 3.27 0.00 -0.24 0.02 -1.26 -4.95 135.00 128.34 3kae s PRO 97 Ca 0.70 1.91 -0.30 0.00 0.02 0.00 0.00 61.00 63.33 3kae s PRO 97 Cb -0.32 -2.16 -0.08 0.00 0.02 0.00 0.00 34.50 31.97 3kae s PRO 97 CO 0.53 -0.99 1.93 -0.51 -0.33 0.00 0.00 177.00 177.63 3kae s ASP 98 N -1.37 6.42 0.33 2.53 1.01 -1.26 -4.97 116.67 119.36 3kae s ASP 98 Ca 0.72 2.53 0.03 0.00 0.71 0.00 0.00 52.55 56.54 3kae s ASP 98 Cb -0.32 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.04 3kae s ASP 98 CO 0.37 -1.10 0.11 0.68 0.21 0.00 0.00 175.17 175.45 3kae s VAL 99 N 4.66 0.66 0.21 -1.27 -7.23 -1.26 -5.07 120.40 111.10 3kae s VAL 99 Ca 0.87 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 3kae s VAL 99 Cb -0.40 -2.56 -0.16 0.00 0.56 0.00 0.00 36.38 33.82 3kae s VAL 99 CO 0.39 0.00 0.77 -0.67 -0.31 0.00 0.00 175.10 175.28 3kae n ASP 100 N -0.90 -0.16 0.01 4.85 4.64 -1.26 -4.67 116.55 119.07 3kae n ASP 100 Ca -0.02 1.15 0.08 0.00 -1.38 0.00 0.00 54.79 54.62 3kae n ASP 100 Cb 0.66 -1.07 0.49 0.00 -1.04 0.00 0.00 41.12 40.16 3kae n ASP 100 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kae h ALA 101 N 1.68 1.89 0.00 -1.67 0.00 -1.99 -0.83 119.26 118.34 3kae h ALA 101 Ca -0.35 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3kae h ALA 101 Cb 1.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3kae h ALA 101 CO 0.60 0.04 -0.38 0.00 0.00 0.00 0.00 179.25 179.52 3kae h ARG 102 N 0.40 0.00 0.23 0.00 3.08 -2.02 -2.89 114.38 113.19 3kae h ARG 102 Ca 0.18 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.88 3kae h ARG 102 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.28 3kae h ARG 102 CO -0.04 0.38 -1.56 0.82 -1.07 0.00 0.00 179.97 178.49 3kae h ILE 103 N 0.00 1.18 -1.00 2.04 1.08 -1.55 -3.35 117.51 115.91 3kae h ILE 103 Ca -0.00 -2.65 0.09 0.00 -0.39 0.00 0.00 64.86 61.90 3kae h ILE 103 Cb 0.77 2.96 -0.07 0.00 -3.07 0.00 0.00 36.82 37.40 3kae h ILE 103 CO 0.05 0.83 0.64 -0.61 -0.69 0.00 0.00 178.15 178.37 3kae h GLN 104 N 0.14 1.07 -0.14 2.37 5.75 -1.01 0.46 115.11 123.75 3kae h GLN 104 Ca -0.28 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.19 3kae h GLN 104 Cb 2.15 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 30.45 3kae h GLN 104 CO 0.25 0.71 0.21 0.93 -2.65 0.00 0.00 178.83 178.28 3kae h GLU 105 N 1.10 0.00 -0.11 1.69 5.08 -1.65 0.17 114.58 120.86 3kae h GLU 105 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3kae h GLU 105 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3kae h GLU 105 CO -0.21 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.47 3kae n MET 106 N -3.53 1.59 -3.44 2.33 2.81 0.15 -4.91 117.12 112.12 3kae n MET 106 Ca 0.01 -0.88 -0.23 0.00 -1.81 0.00 0.00 57.70 54.79 3kae n MET 106 Cb 0.32 -1.40 -0.01 0.00 -0.71 0.00 0.00 33.22 31.42 3kae n MET 106 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3kae s PHE 107 N -1.86 3.45 -0.20 2.03 0.08 0.60 -5.08 117.98 117.00 3kae s PHE 107 Ca 0.33 0.26 -0.11 0.00 0.12 0.00 0.00 56.93 57.52 3kae s PHE 107 Cb 0.17 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 3kae s PHE 107 CO 0.27 0.12 0.20 0.08 -0.10 0.00 0.00 175.22 175.79 3kae s VAL 108 N -2.28 5.36 -0.20 -0.44 1.01 -1.26 -5.07 120.40 117.51 3kae s VAL 108 Ca 0.40 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 3kae s VAL 108 Cb -0.10 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3kae s VAL 108 CO 0.35 0.39 0.46 -0.62 0.00 0.00 0.00 175.10 175.68 3kae s ASP 109 N 0.61 6.49 0.00 3.32 -1.08 -1.26 -4.53 116.67 120.23 3kae s ASP 109 Ca 0.11 0.58 0.07 0.00 -0.52 0.00 0.00 52.55 52.79 3kae s ASP 109 Cb -0.12 -2.26 0.37 0.00 -1.46 0.00 0.00 42.92 39.44 3kae s ASP 109 CO 0.02 -0.13 1.05 -2.65 0.52 0.00 0.00 175.17 173.97 3kae n PRO 110 N 4.67 0.12 0.00 4.34 -0.02 -1.26 -1.48 135.00 141.37 3kae n PRO 110 Ca -0.07 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.72 3kae n PRO 110 Cb 0.51 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.82 3kae n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kae n GLY 111 N -0.66 -0.97 2.56 -1.23 0.00 -1.26 -4.35 105.19 99.28 3kae n GLY 111 Ca 0.04 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3kae n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kae n ASP 112 N -1.11 7.65 0.23 1.61 8.00 -0.55 -4.78 116.55 127.61 3kae n ASP 112 Ca 0.09 -3.30 0.15 0.00 0.71 0.00 0.00 54.79 52.44 3kae n ASP 112 Cb 0.34 -1.31 0.60 0.00 -0.02 0.00 0.00 41.12 40.73 3kae n ASP 112 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3kae h GLU 113 N 4.58 0.00 -0.57 -1.24 5.08 -1.84 -2.92 114.58 117.67 3kae h GLU 113 Ca 0.63 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 59.10 3kae h GLU 113 Cb 0.33 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 3kae h GLU 113 CO 1.40 0.00 0.02 0.93 -1.00 0.00 0.00 179.01 180.36 3kae h GLU 114 N 0.00 0.13 -0.78 2.33 3.07 -1.86 -0.77 114.58 116.70 3kae h GLU 114 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3kae h GLU 114 Cb 0.49 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 3kae h GLU 114 CO 0.00 0.09 0.47 0.74 -1.40 0.00 0.00 179.01 178.91 3kae h PHE 115 N 0.14 1.03 -0.10 4.33 0.04 -1.89 -0.03 116.94 120.45 3kae h PHE 115 Ca 0.29 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.00 3kae h PHE 115 Cb 0.46 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3kae h PHE 115 CO -0.33 0.69 -0.19 0.74 -0.60 0.00 0.00 178.31 178.62 3kae h PHE 116 N 1.08 0.39 -0.52 -0.55 0.04 -1.53 -2.24 116.94 113.61 3kae h PHE 116 Ca 0.28 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 3kae h PHE 116 Cb -0.04 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3kae h PHE 116 CO 0.00 0.80 0.13 0.93 -0.60 0.00 0.00 178.31 179.58 3kae h GLU 117 N -0.13 0.78 0.01 1.51 4.39 -1.04 0.25 114.58 120.36 3kae h GLU 117 Ca 0.00 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 3kae h GLU 117 Cb 0.78 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3kae h GLU 117 CO 0.04 0.70 -0.01 1.03 -1.16 0.00 0.00 179.01 179.62 3kae h SER 118 N 0.76 -0.01 -0.65 1.42 0.87 -1.02 0.13 113.55 115.04 3kae h SER 118 Ca 0.17 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 3kae h SER 118 Cb 0.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 3kae h SER 118 CO -0.00 0.19 0.18 0.25 -0.53 0.00 0.00 176.83 176.91 3kae h LEU 119 N -0.21 0.97 -1.56 2.23 7.12 -1.21 -1.01 115.31 121.64 3kae h LEU 119 Ca -0.00 -0.22 0.03 0.00 0.13 0.00 0.00 57.88 57.81 3kae h LEU 119 Cb 0.21 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 3kae h LEU 119 CO 0.00 0.94 0.34 0.25 -0.13 0.00 0.00 178.44 179.84 3kae h LEU 120 N 0.96 0.50 -0.15 2.25 5.85 -0.39 -0.10 115.31 124.23 3kae h LEU 120 Ca 0.21 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3kae h LEU 120 Cb 0.33 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3kae h LEU 120 CO -0.00 0.35 -0.04 1.23 -0.34 0.00 0.00 178.44 179.63 3kae h GLY 121 N 0.58 0.31 0.88 3.75 0.00 0.50 -1.14 103.07 107.96 3kae h GLY 121 Ca 0.20 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.29 3kae h GLY 121 CO -0.05 0.24 0.26 -0.55 0.00 0.00 0.00 176.54 176.43 3kae h ASP 122 N -0.02 0.41 -0.07 0.19 3.32 -0.82 -1.18 116.42 118.25 3kae h ASP 122 Ca 0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kae h ASP 122 Cb 0.47 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kae h ASP 122 CO 0.02 0.29 0.04 -0.07 -1.72 0.00 0.00 179.24 177.80 3kae h LEU 123 N 0.52 0.09 -0.33 1.55 3.38 -0.95 0.22 115.31 119.79 3kae h LEU 123 Ca 0.18 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kae h LEU 123 Cb 0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3kae h LEU 123 CO -0.09 0.17 0.09 0.00 0.09 0.00 0.00 178.44 178.70 3kae h THR 125 N 0.21 0.42 0.00 0.00 2.02 -1.04 0.52 112.91 115.05 3kae h THR 125 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 3kae h THR 125 Cb 0.15 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3kae h THR 125 CO -0.18 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.61 3kae h LEU 126 N -0.63 0.00 -1.15 2.58 3.38 -0.36 -1.54 115.31 117.58 3kae h LEU 126 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kae h LEU 126 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kae h LEU 126 CO -0.00 0.03 -0.12 -0.24 0.09 0.00 0.00 178.44 178.21 3kae n SER 127 N -3.54 1.90 0.00 -0.43 2.88 0.11 -4.93 113.62 109.61 3kae n SER 127 Ca -0.02 -1.53 0.00 0.00 -1.33 0.00 0.00 58.87 55.99 3kae n SER 127 Cb 0.14 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3kae n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kae n GLY 128 N 1.29 0.92 2.82 0.46 0.00 -0.58 -5.02 105.19 105.07 3kae n GLY 128 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3kae n GLY 128 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kae n TYR 129 N -2.16 3.50 -0.01 1.61 4.01 0.17 -4.93 117.16 119.36 3kae n TYR 129 Ca 0.00 -3.80 -0.11 0.00 -0.16 0.00 0.00 57.90 53.83 3kae n TYR 129 Cb 0.00 -0.92 -0.06 0.00 -0.31 0.00 0.00 39.34 38.06 3kae n TYR 129 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kae h ARG 130 N 5.15 0.14 -0.24 -0.72 9.65 -1.84 -1.32 114.38 125.19 3kae h ARG 130 Ca 0.18 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3kae h ARG 130 Cb 0.70 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 3kae h ARG 130 CO 0.95 0.17 0.16 0.93 2.80 0.00 0.00 179.97 184.98 3kae h GLU 131 N 0.07 0.32 -0.91 0.20 3.07 -1.95 0.14 114.58 115.53 3kae h GLU 131 Ca 0.03 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3kae h GLU 131 Cb 0.07 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.86 3kae h GLU 131 CO -0.01 0.22 0.57 1.49 -1.40 0.00 0.00 179.01 179.88 3kae h GLU 132 N 0.33 1.22 -0.24 2.33 4.81 -1.96 -2.24 114.58 118.84 3kae h GLU 132 Ca 0.09 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3kae h GLU 132 Cb -0.04 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.04 3kae h GLU 132 CO -0.02 0.83 0.00 0.78 -0.73 0.00 0.00 179.01 179.88 3kae h GLY 133 N 1.24 0.23 0.37 1.92 0.00 -0.34 -1.79 103.07 104.70 3kae h GLY 133 Ca 0.33 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.82 3kae h GLY 133 CO -0.07 -0.04 0.56 -2.22 0.00 0.00 0.00 176.54 174.77 3kae h ILE 134 N 0.08 0.84 -0.85 2.60 2.04 -0.47 0.44 117.51 122.19 3kae h ILE 134 Ca 0.11 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kae h ILE 134 Cb 0.14 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 3kae h ILE 134 CO -0.18 0.15 0.53 1.23 0.00 0.00 0.00 178.15 179.88 3kae h GLY 135 N 0.85 1.22 1.11 5.37 0.00 -0.75 0.34 103.07 111.21 3kae h GLY 135 Ca 0.49 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3kae h GLY 135 CO -0.30 0.48 -0.45 0.45 0.00 0.00 0.00 176.54 176.71 3kae h HIS 136 N 1.17 1.08 -0.75 5.60 3.86 -0.42 -1.47 115.15 124.21 3kae h HIS 136 Ca 0.31 -0.36 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3kae h HIS 136 Cb -0.07 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.14 3kae h HIS 136 CO 0.00 1.18 0.49 1.88 0.86 0.00 0.00 177.93 182.34 3kae h TYR 137 N 0.67 0.93 -0.25 2.45 0.05 -0.32 0.24 116.97 120.74 3kae h TYR 137 Ca 0.04 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3kae h TYR 137 Cb 1.05 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 3kae h TYR 137 CO 0.07 0.58 0.14 0.28 -1.05 0.00 0.00 178.16 178.18 3kae h VAL 138 N 1.00 1.11 -0.31 -2.88 2.07 -0.29 0.96 116.25 117.90 3kae h VAL 138 Ca 0.28 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 3kae h VAL 138 Cb -0.09 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3kae h VAL 138 CO -0.07 0.11 -0.24 -0.09 0.02 0.00 0.00 177.57 177.29 3kae h ARG 139 N 0.30 0.62 -0.14 1.57 2.43 -0.73 -1.49 114.38 116.95 3kae h ARG 139 Ca 0.09 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3kae h ARG 139 Cb 0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3kae h ARG 139 CO -0.02 0.81 0.02 1.03 -1.51 0.00 0.00 179.97 180.30 3kae h SER 140 N 0.54 0.22 0.12 -3.80 0.87 -0.31 -3.06 113.55 108.13 3kae h SER 140 Ca 0.08 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 3kae h SER 140 Cb 0.71 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3kae h SER 140 CO 0.05 0.43 -0.15 0.15 -0.53 0.00 0.00 176.83 176.79 3kae h PHE 141 N -0.00 0.07 -0.11 2.24 3.57 -0.51 -1.56 116.94 120.64 3kae h PHE 141 Ca 0.04 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3kae h PHE 141 Cb 0.31 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3kae h PHE 141 CO 0.02 0.21 0.10 0.78 -2.23 0.00 0.00 178.31 177.19 3kae h GLY 142 N 0.55 0.00 0.31 2.40 0.00 -1.17 -2.97 103.07 102.19 3kae h GLY 142 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.97 3kae h GLY 142 CO 0.02 0.00 -2.22 1.17 0.00 0.00 0.00 176.54 175.51 3kae n LYS 143 N -4.07 0.69 -3.59 4.80 4.81 -0.63 -5.05 118.16 115.12 3kae n LYS 143 Ca -0.00 0.18 -0.09 0.00 -0.87 0.00 0.00 58.31 57.52 3kae n LYS 143 Cb 0.21 -1.61 -0.05 0.00 0.02 0.00 0.00 35.03 33.60 3kae n LYS 143 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kae s SER 144 N -6.50 -0.34 -0.00 3.14 0.15 -0.94 -5.03 113.70 104.18 3kae s SER 144 Ca -0.24 0.41 -0.30 0.00 0.70 0.00 0.00 55.95 56.52 3kae s SER 144 Cb 0.08 0.33 -0.07 0.00 -1.71 0.00 0.00 66.02 64.65 3kae s SER 144 CO 0.71 -0.29 1.66 0.12 1.20 0.00 0.00 173.24 176.64 3kae s PHE 145 N -0.94 2.14 0.07 3.44 2.19 -1.26 -4.17 117.98 119.45 3kae s PHE 145 Ca -0.00 0.24 0.03 0.00 0.33 0.00 0.00 56.93 57.52 3kae s PHE 145 Cb -0.01 -3.93 -0.03 0.00 -1.31 0.00 0.00 43.02 37.73 3kae s PHE 145 CO -0.00 -3.87 -0.09 -0.51 1.83 0.00 0.00 175.22 172.58 3kae s LEU 146 N 3.50 2.36 0.12 6.12 1.43 -1.26 -5.08 118.68 125.86 3kae s LEU 146 Ca 0.74 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 3kae s LEU 146 Cb -0.36 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 3kae s LEU 146 CO 0.31 -0.26 1.62 0.15 0.23 0.00 0.00 176.35 178.40 3kae h PHE 147 N 3.86 0.61 -0.21 0.29 3.04 -1.99 -2.62 116.94 119.92 3kae h PHE 147 Ca -0.37 -0.07 -0.08 0.00 3.98 0.00 0.00 57.97 61.43 3kae h PHE 147 Cb 1.19 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 3kae h PHE 147 CO 0.63 0.60 -0.20 1.03 -2.02 0.00 0.00 178.31 178.35 3kae h SER 148 N 0.44 0.54 -0.26 0.41 0.87 -1.98 -0.61 113.55 112.96 3kae h SER 148 Ca 0.12 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3kae h SER 148 Cb 0.30 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3kae h SER 148 CO 0.00 0.90 0.14 -0.65 -0.53 0.00 0.00 176.83 176.69 3kae h PRO 149 N 0.19 0.36 0.09 2.24 0.11 -1.89 -2.24 132.00 130.85 3kae h PRO 149 Ca 0.03 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.12 3kae h PRO 149 Cb 0.74 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.76 3kae h PRO 149 CO 0.05 0.32 -0.18 0.28 -0.21 0.00 0.00 178.00 178.25 3kae h VAL 150 N 0.30 0.58 -0.20 3.15 2.07 -1.46 0.99 116.25 121.68 3kae h VAL 150 Ca 0.09 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.54 3kae h VAL 150 Cb 0.06 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3kae h VAL 150 CO -0.01 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.07 3kae h GLU 151 N -0.35 0.33 0.06 1.57 4.39 -1.12 -0.19 114.58 119.27 3kae h GLU 151 Ca 0.03 -0.09 -0.25 0.00 0.34 0.00 0.00 59.36 59.39 3kae h GLU 151 Cb 0.37 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3kae h GLU 151 CO -0.11 0.50 -1.07 -0.91 -1.16 0.00 0.00 179.01 176.26 3kae h ASN 152 N 0.31 0.49 -0.19 1.42 2.35 -1.24 -1.63 115.58 117.08 3kae h ASN 152 Ca 0.06 -0.44 -0.20 0.00 -0.55 0.00 0.00 56.30 55.16 3kae h ASN 152 Cb 0.49 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.71 3kae h ASN 152 CO 0.03 1.28 -0.66 -0.07 -1.65 0.00 0.00 177.43 176.36 3kae h LEU 153 N 0.16 0.92 -0.03 1.61 3.38 -0.60 -1.94 115.31 118.80 3kae h LEU 153 Ca -0.11 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 3kae h LEU 153 Cb 1.75 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 3kae h LEU 153 CO 0.18 1.36 0.02 -0.07 0.09 0.00 0.00 178.44 180.02 3kae h LEU 154 N 0.53 0.04 -1.06 1.67 3.38 -1.09 0.51 115.31 119.30 3kae h LEU 154 Ca -0.03 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.09 3kae h LEU 154 Cb 1.29 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.93 3kae h LEU 154 CO 0.14 0.06 0.62 0.25 0.09 0.00 0.00 178.44 179.60 3kae h LEU 155 N 0.02 0.77 -1.12 1.67 5.85 -1.27 0.04 115.31 121.27 3kae h LEU 155 Ca 0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kae h LEU 155 Cb 0.03 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3kae h LEU 155 CO -0.00 0.30 0.00 -0.62 -0.34 0.00 0.00 178.44 177.78 3kae n GLU 156 N -4.71 1.76 -1.28 1.25 -0.58 -0.73 -4.90 120.64 111.45 3kae n GLU 156 Ca 0.22 -1.11 -0.12 0.00 -0.42 0.00 0.00 57.16 55.73 3kae n GLU 156 Cb 0.55 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.90 3kae n GLU 156 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3kae n ASN 157 N 0.34 -4.49 -1.99 1.62 5.15 0.00 -4.84 115.26 111.06 3kae n ASN 157 Ca 0.18 0.29 -0.06 0.00 -0.60 0.00 0.00 54.58 54.39 3kae n ASN 157 Cb 0.38 -3.64 0.30 0.00 -0.53 0.00 0.00 39.78 36.29 3kae n ASN 157 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3kae n LYS 158 N -1.23 3.68 -2.33 1.20 4.01 0.01 -4.95 118.16 118.55 3kae n LYS 158 Ca -0.12 -2.97 -0.42 0.00 -0.51 0.00 0.00 58.31 54.30 3kae n LYS 158 Cb 0.50 -2.20 -0.03 0.00 -0.51 0.00 0.00 35.03 32.79 3kae n LYS 158 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3kae s VAL 159 N -2.89 3.65 -0.06 -0.18 0.11 -1.17 -4.95 120.40 114.91 3kae s VAL 159 Ca 0.53 1.26 -0.30 0.00 -2.93 0.00 0.00 61.98 60.54 3kae s VAL 159 Cb 0.43 -3.80 -0.03 0.00 -1.53 0.00 0.00 36.38 31.44 3kae s VAL 159 CO 0.13 0.14 1.21 -2.84 -3.33 0.00 0.00 175.10 170.41 3kae s PRO 160 N 0.57 4.35 0.21 1.54 0.02 -1.26 -5.04 135.00 135.38 3kae s PRO 160 Ca 0.58 1.69 0.11 0.00 0.02 0.00 0.00 61.00 63.39 3kae s PRO 160 Cb -0.33 -3.56 -0.04 0.00 0.02 0.00 0.00 34.50 30.59 3kae s PRO 160 CO 0.32 -0.46 -0.16 -0.65 -0.33 0.00 0.00 177.00 175.72 3kae s GLN 161 N 2.25 1.79 0.00 5.54 -0.21 -1.26 -5.13 119.66 122.65 3kae s GLN 161 Ca 0.56 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.45 3kae s GLN 161 Cb -0.25 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 31.80 3kae s GLN 161 CO 0.22 0.39 0.00 1.63 -2.12 0.00 0.00 175.29 175.41 3kae n LYS 162 N -0.10 1.40 -0.00 2.91 4.01 -1.26 -5.00 118.16 120.12 3kae n LYS 162 Ca -0.10 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.78 3kae n LYS 162 Cb 0.57 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.98 3kae n LYS 162 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3kae n ARG 163 N 0.00 1.19 -2.28 1.97 1.74 -1.26 -5.31 116.66 112.71 3kae n ARG 163 Ca 0.00 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3kae n ARG 163 Cb 0.00 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3kae n ARG 163 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kae n ASP 164 N -1.72 -8.87 0.00 0.55 8.00 -1.26 -5.38 116.55 107.86 3kae n ASP 164 Ca -0.00 1.73 0.00 0.00 0.71 0.00 0.00 54.79 57.23 3kae n ASP 164 Cb 0.33 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.44 3kae n ASP 164 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3kae n ARG 173 N 1.89 0.00 -4.53 -1.24 0.63 -1.26 -5.35 116.66 106.81 3kae n ARG 173 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 3kae n ARG 173 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 3kae n ARG 173 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3kae s ARG 174 N -0.17 1.79 0.00 -0.14 3.52 -1.26 -4.93 118.95 117.76 3kae s ARG 174 Ca 0.00 -1.91 0.00 0.00 -0.13 0.00 0.00 55.73 53.69 3kae s ARG 174 Cb 0.00 -1.68 0.00 0.00 -1.56 0.00 0.00 34.95 31.71 3kae s ARG 174 CO 0.00 0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 3kae n GLY 175 N -0.76 3.98 0.22 8.12 0.00 -1.26 -4.63 105.19 110.86 3kae n GLY 175 Ca -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3kae n GLY 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kae h ILE 176 N 0.79 1.24 -0.05 -0.61 2.10 -1.99 -1.16 117.51 117.82 3kae h ILE 176 Ca 0.00 -1.12 -0.17 0.00 1.08 0.00 0.00 64.86 64.65 3kae h ILE 176 Cb 0.00 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.12 3kae h ILE 176 CO 0.00 0.34 -0.71 1.05 -1.08 0.00 0.00 178.15 177.75 3kae h GLU 177 N 0.24 0.25 -0.01 2.19 9.09 -1.99 -1.71 114.58 122.63 3kae h GLU 177 Ca 0.04 -0.20 -0.14 0.00 0.05 0.00 0.00 59.36 59.11 3kae h GLU 177 Cb 0.57 0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.70 3kae h GLU 177 CO 0.04 0.86 -0.64 0.93 0.05 0.00 0.00 179.01 180.25 3kae h GLU 178 N 0.17 0.04 -0.22 1.06 4.39 -1.71 -1.69 114.58 116.63 3kae h GLU 178 Ca -0.02 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 3kae h GLU 178 Cb 1.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3kae h GLU 178 CO 0.11 0.66 -0.31 1.49 -1.16 0.00 0.00 179.01 179.81 3kae h GLU 179 N 0.03 0.44 -0.55 2.33 4.81 -1.13 -1.62 114.58 118.88 3kae h GLU 179 Ca -0.01 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 3kae h GLU 179 Cb 1.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3kae h GLU 179 CO 0.09 0.70 0.02 -0.92 -0.73 0.00 0.00 179.01 178.17 3kae h TYR 180 N 0.38 1.00 -0.26 0.92 5.03 -0.57 -0.77 116.97 122.69 3kae h TYR 180 Ca 0.05 -0.15 -0.08 0.00 2.58 0.00 0.00 58.73 61.13 3kae h TYR 180 Cb 0.73 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 3kae h TYR 180 CO 0.02 0.89 -0.14 0.28 -1.32 0.00 0.00 178.16 177.89 3kae h VAL 181 N 0.86 1.30 -0.27 1.81 2.07 -1.19 -2.08 116.25 118.75 3kae h VAL 181 Ca 0.16 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.49 3kae h VAL 181 Cb 0.48 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3kae h VAL 181 CO 0.02 0.39 0.01 0.28 0.02 0.00 0.00 177.57 178.29 3kae h SER 182 N 0.29 -0.09 -0.83 0.57 0.02 -1.06 -0.54 113.55 111.90 3kae h SER 182 Ca 0.06 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3kae h SER 182 Cb 0.66 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 3kae h SER 182 CO 0.04 -0.01 0.55 0.44 -1.14 0.00 0.00 176.83 176.71 3kae h ASP 183 N 0.09 0.95 -0.34 3.07 3.32 -1.12 -1.20 116.42 121.19 3kae h ASP 183 Ca 0.13 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3kae h ASP 183 Cb 0.17 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3kae h ASP 183 CO -0.21 0.68 0.11 0.28 -1.72 0.00 0.00 179.24 178.38 3kae h SER 184 N 1.12 0.49 -0.40 6.45 0.02 -0.91 0.34 113.55 120.66 3kae h SER 184 Ca 0.31 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3kae h SER 184 Cb -0.11 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3kae h SER 184 CO -0.07 0.56 0.26 0.40 -1.14 0.00 0.00 176.83 176.84 3kae h ILE 185 N 0.40 1.12 -0.44 3.27 2.04 -0.74 -1.34 117.51 121.81 3kae h ILE 185 Ca 0.11 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3kae h ILE 185 Cb 0.24 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3kae h ILE 185 CO -0.00 0.11 0.15 -0.08 0.00 0.00 0.00 178.15 178.33 3kae h GLU 186 N 0.54 0.68 -0.35 2.37 4.81 -0.86 -2.81 114.58 118.96 3kae h GLU 186 Ca 0.15 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3kae h GLU 186 Cb -0.04 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3kae h GLU 186 CO -0.03 0.65 -0.07 0.35 -0.73 0.00 0.00 179.01 179.18 3kae h PHE 187 N 0.58 0.61 -0.59 0.92 3.04 -0.06 -0.07 116.94 121.37 3kae h PHE 187 Ca 0.14 -0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.06 3kae h PHE 187 Cb 0.24 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.54 3kae h PHE 187 CO 0.01 0.64 0.32 1.25 -2.02 0.00 0.00 178.31 178.50 3kae h HIS 188 N 0.54 0.58 0.00 0.41 2.76 -0.99 0.78 115.15 119.23 3kae h HIS 188 Ca 0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3kae h HIS 188 Cb 0.45 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.24 3kae h HIS 188 CO 0.02 0.28 -0.68 0.39 -1.30 0.00 0.00 177.93 176.63 3kae n GLU 189 N -4.83 0.02 0.00 5.26 4.71 -1.03 -4.42 120.64 120.35 3kae n GLU 189 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3kae n GLU 189 Cb 0.16 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 3kae n GLU 189 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3kae n SER 190 N -1.54 3.63 -2.39 1.62 3.41 -0.07 -5.00 113.62 113.28 3kae n SER 190 Ca 0.05 -0.10 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 3kae n SER 190 Cb 0.34 0.92 -0.01 0.00 -0.26 0.00 0.00 64.21 65.20 3kae n SER 190 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kae n LEU 191 N -1.28 -1.40 -4.53 1.04 4.32 0.27 -4.83 117.00 110.59 3kae n LEU 191 Ca 0.00 0.13 -0.48 0.00 -0.02 0.00 0.00 56.01 55.65 3kae n LEU 191 Cb 0.00 -2.41 -0.05 0.00 -1.62 0.00 0.00 43.42 39.34 3kae n LEU 191 CO 0.00 -0.18 1.78 -0.24 -1.22 0.00 0.00 177.39 177.53 3kae n SER 192 N -1.83 2.68 0.24 -1.43 2.88 -1.26 -4.87 113.62 110.03 3kae n SER 192 Ca -0.18 0.41 0.09 0.00 -1.33 0.00 0.00 58.87 57.86 3kae n SER 192 Cb 0.63 -1.38 0.62 0.00 -0.75 0.00 0.00 64.21 63.33 3kae n SER 192 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kae h PRO 193 N 12.92 0.00 -0.21 -1.46 0.11 -1.99 -1.57 132.00 139.80 3kae h PRO 193 Ca -0.35 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 3kae h PRO 193 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3kae h PRO 193 CO 0.99 0.17 -0.22 0.66 -0.21 0.00 0.00 178.00 179.39 3kae h SER 194 N 0.00 0.38 -0.14 -2.05 4.64 -1.99 -1.62 113.55 112.77 3kae h SER 194 Ca -0.00 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 3kae h SER 194 Cb 0.38 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3kae h SER 194 CO 0.02 0.62 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.45 3kae h LEU 195 N 0.35 0.31 -0.82 5.97 4.07 -1.68 -1.78 115.31 121.73 3kae h LEU 195 Ca 0.06 -0.42 0.03 0.00 0.08 0.00 0.00 57.88 57.62 3kae h LEU 195 Cb 0.59 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.19 3kae h LEU 195 CO 0.04 0.67 0.53 0.58 -1.08 0.00 0.00 178.44 179.18 3kae h VAL 196 N -0.04 1.14 -0.19 1.22 2.07 -1.41 -1.99 116.25 117.04 3kae h VAL 196 Ca 0.03 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 3kae h VAL 196 Cb 0.56 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3kae h VAL 196 CO 0.02 0.19 -0.44 0.11 0.02 0.00 0.00 177.57 177.47 3kae h LYS 197 N 1.04 0.47 -0.54 1.57 6.56 -1.29 -1.56 116.57 122.81 3kae h LYS 197 Ca 0.33 -0.25 -0.03 0.00 -1.06 0.00 0.00 60.65 59.64 3kae h LYS 197 Cb -0.01 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.63 3kae h LYS 197 CO -0.11 0.82 0.23 -0.22 -2.06 0.00 0.00 179.45 178.11 3kae h LYS 198 N 0.38 0.80 -0.00 3.15 3.64 -0.70 -2.95 116.57 120.89 3kae h LYS 198 Ca 0.03 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3kae h LYS 198 Cb 0.93 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3kae h LYS 198 CO 0.08 0.69 -0.34 0.66 -2.27 0.00 0.00 179.45 178.27 3kae n TYR 199 N -4.53 0.00 0.20 1.91 4.01 -0.81 -3.72 117.16 114.23 3kae n TYR 199 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 3kae n TYR 199 Cb 0.15 -0.30 0.42 0.00 -0.31 0.00 0.00 39.34 39.30 3kae n TYR 199 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3kae h MET 200 N 0.09 0.00 0.00 -0.72 4.05 -1.10 -2.65 114.93 114.61 3kae h MET 200 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3kae h MET 200 Cb 0.49 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 3kae h MET 200 CO 0.00 0.30 0.00 0.93 0.23 0.00 0.00 176.91 178.37 3kae h GLU 201 N 0.00 0.00 -1.99 0.39 3.07 -1.66 -3.30 114.58 111.08 3kae h GLU 201 Ca -0.00 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 3kae h GLU 201 Cb 0.55 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.10 3kae h GLU 201 CO 0.04 0.00 -0.01 0.72 -1.40 0.00 0.00 179.01 178.36 3kae n HIS 202 N -2.35 3.41 -3.85 4.33 -0.00 -1.00 -4.92 115.22 110.84 3kae n HIS 202 Ca 0.04 -3.12 -0.27 0.00 -0.00 0.00 0.00 57.72 54.36 3kae n HIS 202 Cb 0.35 -0.64 -0.17 0.00 -0.00 0.00 0.00 29.99 29.53 3kae n HIS 202 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3kae s VAL 203 N -4.89 0.91 0.61 1.59 1.01 -1.25 -0.10 120.40 118.28 3kae s VAL 203 Ca 0.47 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 3kae s VAL 203 Cb 0.33 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3kae s VAL 203 CO -0.21 0.09 1.11 -2.84 0.00 0.00 0.00 175.10 173.25 3kae s PRO 204 N 1.72 3.05 0.00 2.72 0.02 -1.25 -4.86 135.00 136.40 3kae s PRO 204 Ca 0.01 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.45 3kae s PRO 204 Cb -0.15 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3kae s PRO 204 CO -0.07 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 3kae n GLY 205 N -0.40 0.76 0.36 0.52 0.00 -1.12 -4.83 105.19 100.48 3kae n GLY 205 Ca 0.10 -1.79 0.17 0.00 0.00 0.00 0.00 46.02 44.50 3kae n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kae h ILE 206 N 0.00 0.80 -0.24 -0.61 2.10 -1.94 -0.66 117.51 116.96 3kae h ILE 206 Ca 0.00 -0.02 -0.03 0.00 1.08 0.00 0.00 64.86 65.89 3kae h ILE 206 Cb 0.00 0.73 -0.01 0.00 -1.09 0.00 0.00 36.82 36.44 3kae h ILE 206 CO 0.00 0.01 0.03 1.23 -1.08 0.00 0.00 178.15 178.34 3kae h GLY 207 N 0.07 0.37 0.86 8.18 0.00 -0.67 -2.25 103.07 109.63 3kae h GLY 207 Ca 0.22 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.40 3kae h GLY 207 CO -0.02 0.17 0.65 1.76 0.00 0.00 0.00 176.54 179.10 3kae h SER 208 N 0.34 1.07 0.09 0.19 0.02 -1.12 0.12 113.55 114.27 3kae h SER 208 Ca 0.08 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3kae h SER 208 Cb 0.19 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3kae h SER 208 CO 0.00 0.73 -0.04 1.88 -1.14 0.00 0.00 176.83 178.26 3kae h TYR 209 N 1.24 -0.11 0.42 3.45 0.05 -1.53 -2.42 116.97 118.07 3kae h TYR 209 Ca 0.40 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.16 3kae h TYR 209 Cb 0.02 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 3kae h TYR 209 CO -0.00 0.35 -0.30 0.35 -1.05 0.00 0.00 178.16 177.51 3kae h PHE 210 N -0.63 -0.79 -0.76 4.88 3.57 -1.02 0.30 116.94 122.48 3kae h PHE 210 Ca -0.01 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.53 3kae h PHE 210 Cb 0.51 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3kae h PHE 210 CO 0.09 -0.45 0.50 0.82 -2.23 0.00 0.00 178.31 177.04 3kae h ILE 211 N -0.71 1.08 -0.18 1.41 1.08 -0.92 0.22 117.51 119.50 3kae h ILE 211 Ca -0.04 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 3kae h ILE 211 Cb 0.60 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 3kae h ILE 211 CO 0.02 0.16 0.09 0.28 -0.69 0.00 0.00 178.15 178.00 3kae h SER 212 N 0.87 0.23 -0.65 1.72 0.02 -0.93 -0.12 113.55 114.69 3kae h SER 212 Ca 0.31 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3kae h SER 212 Cb 0.14 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3kae h SER 212 CO -0.10 0.27 0.20 0.78 -1.14 0.00 0.00 176.83 176.84 3kae h ASN 213 N 0.17 0.97 -0.22 3.07 2.35 -0.23 -2.55 115.58 119.14 3kae h ASN 213 Ca 0.06 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.69 3kae h ASN 213 Cb 0.10 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 3kae h ASN 213 CO -0.01 0.91 -0.13 0.00 -1.65 0.00 0.00 177.43 176.55 3kae h ALA 214 N 1.21 0.04 -0.70 -0.83 0.00 -0.16 -0.78 119.26 118.04 3kae h ALA 214 Ca 0.22 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.32 3kae h ALA 214 Cb 0.30 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3kae h ALA 214 CO -0.01 -0.55 0.47 0.00 0.00 0.00 0.00 179.25 179.16 3kae h ALA 215 N 1.05 1.96 -0.06 0.00 0.00 -0.66 -0.59 119.26 120.94 3kae h ALA 215 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3kae h ALA 215 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kae h ALA 215 CO -0.29 -0.12 -0.26 -0.09 0.00 0.00 0.00 179.25 178.49 3kae h ARG 216 N 0.52 0.29 -0.53 0.00 2.43 -0.89 -2.22 114.38 113.98 3kae h ARG 216 Ca 0.33 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3kae h ARG 216 Cb 0.59 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 3kae h ARG 216 CO -0.11 0.86 0.28 -0.09 -1.51 0.00 0.00 179.97 179.40 3kae h ARG 217 N -0.22 0.53 -0.70 0.20 9.65 -0.51 -1.79 114.38 121.54 3kae h ARG 217 Ca -0.01 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.91 3kae h ARG 217 Cb 0.90 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.30 3kae h ARG 217 CO 0.05 0.35 0.38 1.88 2.80 0.00 0.00 179.97 185.43 3kae h TYR 218 N 0.55 0.69 0.09 2.20 0.05 -1.08 -2.10 116.97 117.36 3kae h TYR 218 Ca 0.23 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.03 3kae h TYR 218 Cb 0.11 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.64 3kae h TYR 218 CO -0.09 0.30 -0.04 0.35 -1.05 0.00 0.00 178.16 177.63 3kae h PHE 219 N 0.67 -0.11 -0.08 4.88 3.57 -0.80 -1.89 116.94 123.18 3kae h PHE 219 Ca 0.33 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.85 3kae h PHE 219 Cb 0.26 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3kae h PHE 219 CO -0.09 0.03 0.31 -0.91 -2.23 0.00 0.00 178.31 175.42 3kae h ASN 220 N -0.22 0.00 -0.03 0.41 2.35 -1.04 0.26 115.58 117.31 3kae h ASN 220 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kae h ASN 220 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3kae h ASN 220 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 3kae n LEU 221 N -3.13 2.50 0.00 1.61 4.77 -0.80 -4.94 117.00 117.02 3kae n LEU 221 Ca -0.00 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 3kae n LEU 221 Cb 0.38 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3kae n LEU 221 CO 0.18 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3kae n GLY 222 N 1.29 2.16 3.18 -0.72 0.00 0.90 -4.94 105.19 107.06 3kae n GLY 222 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3kae n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kae n MET 223 N -2.00 2.37 0.21 1.61 2.81 -0.78 -4.73 117.12 116.61 3kae n MET 223 Ca 0.00 -2.55 0.06 0.00 -1.81 0.00 0.00 57.70 53.40 3kae n MET 223 Cb 0.00 -3.32 0.47 0.00 -0.71 0.00 0.00 33.22 29.66 3kae n MET 223 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3kae h ASN 224 N 7.51 0.00 0.45 7.83 2.35 -1.88 -2.43 115.58 129.41 3kae h ASN 224 Ca 0.44 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.17 3kae h ASN 224 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3kae h ASN 224 CO 1.69 0.28 -0.22 0.44 -1.65 0.00 0.00 177.43 177.97 3kae h ASP 225 N 0.00 -0.51 -0.17 5.81 3.45 -1.95 -1.41 116.42 121.64 3kae h ASP 225 Ca -0.00 -0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.31 3kae h ASP 225 Cb 0.55 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.44 3kae h ASP 225 CO 0.04 -0.29 -0.25 0.11 -1.57 0.00 0.00 179.24 177.28 3kae h LYS 226 N -0.71 0.64 -0.31 3.56 1.79 -1.95 -2.33 116.57 117.26 3kae h LYS 226 Ca -0.06 -0.25 0.06 0.00 -2.18 0.00 0.00 60.65 58.22 3kae h LYS 226 Cb 0.52 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 3kae h LYS 226 CO 0.10 0.83 -0.10 1.03 -1.08 0.00 0.00 179.45 180.23 3kae h SER 227 N 0.56 -0.35 -0.13 0.86 0.87 -1.30 -0.83 113.55 113.24 3kae h SER 227 Ca 0.08 0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.60 3kae h SER 227 Cb 0.72 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 3kae h SER 227 CO 0.06 -0.13 -0.41 0.11 -0.53 0.00 0.00 176.83 175.93 3kae h LYS 228 N -0.03 0.66 0.15 2.24 1.57 -1.12 -2.11 116.57 117.93 3kae h LYS 228 Ca 0.15 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3kae h LYS 228 Cb 0.26 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3kae h LYS 228 CO -0.34 0.95 -0.29 0.00 -0.57 0.00 0.00 179.45 179.20 3kae h ALA 229 N 1.01 -0.52 -0.21 3.86 0.00 -0.97 0.39 119.26 122.82 3kae h ALA 229 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kae h ALA 229 Cb 0.93 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 3kae h ALA 229 CO 0.08 -0.84 -0.08 0.00 0.00 0.00 0.00 179.25 178.42 3kae h PHE 231 N -0.04 0.22 -0.77 0.00 0.04 -1.20 -2.80 116.94 112.39 3kae h PHE 231 Ca 0.11 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.96 3kae h PHE 231 Cb 0.20 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.21 3kae h PHE 231 CO -0.24 0.19 0.43 0.93 -0.60 0.00 0.00 178.31 179.02 3kae h GLU 232 N 0.20 0.73 0.13 1.51 3.07 0.05 0.59 114.58 120.87 3kae h GLU 232 Ca 0.06 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.89 3kae h GLU 232 Cb 0.03 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 27.73 3kae h GLU 232 CO -0.01 0.48 -0.41 1.25 -1.40 0.00 0.00 179.01 178.93 3kae h LEU 233 N 0.75 -1.19 -0.87 1.33 5.85 -0.86 -2.15 115.31 118.17 3kae h LEU 233 Ca 0.36 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.20 3kae h LEU 233 Cb 0.30 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3kae h LEU 233 CO -0.23 -0.48 0.47 0.58 -0.34 0.00 0.00 178.44 178.44 3kae h VAL 234 N -0.65 1.26 -0.63 1.05 2.07 -1.25 -0.83 116.25 117.26 3kae h VAL 234 Ca 0.02 -0.64 0.16 0.00 0.82 0.00 0.00 66.70 67.05 3kae h VAL 234 Cb 0.67 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3kae h VAL 234 CO -0.23 0.29 0.44 0.03 0.02 0.00 0.00 177.57 178.12 3kae h ARG 235 N 1.22 0.15 0.04 1.57 -0.00 -0.54 0.12 114.38 116.94 3kae h ARG 235 Ca 0.31 -0.01 -0.35 0.00 -0.50 0.00 0.00 59.98 59.43 3kae h ARG 235 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 3kae h ARG 235 CO -0.05 0.10 -1.97 2.89 0.00 0.00 0.00 179.97 180.94 3kae n ARG 236 N -4.41 0.64 0.00 0.04 1.85 -0.84 -2.92 116.66 111.03 3kae n ARG 236 Ca 0.12 0.34 0.14 0.00 -1.00 0.00 0.00 57.85 57.45 3kae n ARG 236 Cb 0.60 -1.64 0.59 0.00 -1.05 0.00 0.00 32.46 30.95 3kae n ARG 236 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3kae n LYS 237 N -3.91 0.07 -2.72 2.89 5.02 -0.38 -4.36 118.16 114.78 3kae n LYS 237 Ca -0.39 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 55.81 3kae n LYS 237 Cb 0.89 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.49 3kae n LYS 237 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kae n ASP 238 N -1.45 -2.16 0.08 4.39 4.64 0.41 -3.74 116.55 118.71 3kae n ASP 238 Ca 0.08 -3.27 0.06 0.00 -1.38 0.00 0.00 54.79 50.28 3kae n ASP 238 Cb 0.33 1.75 0.51 0.00 -1.04 0.00 0.00 41.12 42.67 3kae n ASP 238 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3kae h PRO 239 N 2.94 0.33 -0.00 -0.67 0.11 -1.41 -1.50 132.00 131.80 3kae h PRO 239 Ca -0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3kae h PRO 239 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3kae h PRO 239 CO 0.12 0.22 -0.28 -1.33 -0.21 0.00 0.00 178.00 176.51 3kae n MET 240 N -4.49 0.06 0.41 1.05 2.81 -1.26 -3.79 117.12 111.90 3kae n MET 240 Ca 0.02 -0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 3kae n MET 240 Cb 0.11 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.03 3kae n MET 240 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3kae h PHE 241 N 0.06 -0.96 0.00 2.03 3.57 -1.61 -3.54 116.94 116.48 3kae h PHE 241 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kae h PHE 241 Cb 0.49 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.55 3kae h PHE 241 CO 0.00 -0.58 0.00 1.28 -2.23 0.00 0.00 178.31 176.78