#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kro n GLN 2 N 0.00 0.00 0.07 2.12 1.13 -1.26 -4.84 117.38 114.60 3kro n GLN 2 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 3kro n GLN 2 Cb 0.00 0.00 0.33 0.00 0.11 0.00 0.00 30.24 30.68 3kro n GLN 2 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3kro h PRO 3 N 0.00 0.35 0.42 -1.09 0.11 -2.06 -2.99 132.00 126.74 3kro h PRO 3 Ca 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3kro h PRO 3 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3kro h PRO 3 CO 0.00 0.47 -0.30 -0.92 -0.21 0.00 0.00 178.00 177.04 3kro h TYR 4 N 0.33 -0.81 -0.33 0.65 3.20 -2.00 -1.37 116.97 116.65 3kro h TYR 4 Ca 0.07 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3kro h TYR 4 Cb 0.41 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 3kro h TYR 4 CO 0.01 -0.45 0.13 -1.49 -1.64 0.00 0.00 178.16 174.72 3kro h TRP 5 N -0.71 0.45 0.30 -3.82 4.06 -1.88 -2.48 115.95 111.86 3kro h TRP 5 Ca -0.04 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 3kro h TRP 5 Cb 0.61 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 3kro h TRP 5 CO -0.13 0.35 -0.15 0.00 -3.56 0.00 0.00 178.44 174.96 3kro h ALA 6 N 1.70 -0.41 -0.87 1.49 0.00 -1.36 -2.87 119.26 116.93 3kro h ALA 6 Ca 0.11 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.01 3kro h ALA 6 Cb 0.09 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 3kro h ALA 6 CO -0.01 -0.57 0.57 0.00 0.00 0.00 0.00 179.25 179.24 3kro h ALA 7 N -0.17 1.98 -0.31 0.00 0.00 -1.07 -0.65 119.26 119.04 3kro h ALA 7 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kro h ALA 7 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kro h ALA 7 CO 0.07 -0.24 0.11 0.82 0.00 0.00 0.00 179.25 180.01 3kro h ILE 8 N 0.56 1.19 -0.56 0.00 2.04 -1.36 0.17 117.51 119.55 3kro h ILE 8 Ca 0.45 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3kro h ILE 8 Cb 0.88 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3kro h ILE 8 CO -0.19 0.21 0.27 -0.33 0.00 0.00 0.00 178.15 178.11 3kro h GLU 9 N 0.35 0.79 -0.35 2.37 5.08 -0.93 -1.07 114.58 120.82 3kro h GLU 9 Ca 0.10 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3kro h GLU 9 Cb 0.22 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kro h GLU 9 CO -0.01 0.61 -0.00 0.00 -1.00 0.00 0.00 179.01 178.61 3kro h ALA 10 N 1.51 0.48 -0.57 3.43 0.00 -0.88 -1.40 119.26 121.83 3kro h ALA 10 Ca 0.20 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3kro h ALA 10 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kro h ALA 10 CO -0.03 0.25 0.11 -0.44 0.00 0.00 0.00 179.25 179.14 3kro h ASP 11 N 0.44 0.89 -0.62 0.00 3.45 -0.10 0.17 116.42 120.65 3kro h ASP 11 Ca 0.10 -0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 3kro h ASP 11 Cb 0.46 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 3kro h ASP 11 CO 0.02 0.91 0.35 0.40 -1.57 0.00 0.00 179.24 179.35 3kro h ILE 12 N 0.83 1.19 0.22 0.35 2.04 -1.14 -0.43 117.51 120.58 3kro h ILE 12 Ca 0.18 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3kro h ILE 12 Cb 0.38 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3kro h ILE 12 CO 0.01 0.21 -0.10 -0.08 0.00 0.00 0.00 178.15 178.18 3kro h GLU 13 N 0.84 -0.28 -0.86 2.37 4.81 -0.90 -1.65 114.58 118.91 3kro h GLU 13 Ca 0.22 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.66 3kro h GLU 13 Cb 0.02 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.35 3kro h GLU 13 CO -0.04 -0.06 0.36 -0.09 -0.73 0.00 0.00 179.01 178.45 3kro h ARG 14 N -0.46 0.41 -0.41 1.92 2.43 -0.47 -0.92 114.38 116.88 3kro h ARG 14 Ca -0.03 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 3kro h ARG 14 Cb 0.35 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3kro h ARG 14 CO 0.05 0.27 -0.19 -0.92 -1.51 0.00 0.00 179.97 177.67 3kro h TYR 15 N 0.42 0.89 -0.21 2.20 5.03 -0.63 -1.90 116.97 122.77 3kro h TYR 15 Ca 0.51 -0.19 -0.07 0.00 2.58 0.00 0.00 58.73 61.56 3kro h TYR 15 Cb 0.92 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.98 3kro h TYR 15 CO -0.15 0.91 -0.14 -0.07 -1.32 0.00 0.00 178.16 177.40 3kro h LEU 16 N 0.70 0.48 -1.80 2.82 3.38 -0.28 -1.43 115.31 119.19 3kro h LEU 16 Ca 0.10 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3kro h LEU 16 Cb 0.69 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kro h LEU 16 CO 0.05 0.82 -0.10 0.11 0.09 0.00 0.00 178.44 179.40 3kro h LYS 17 N 0.15 0.00 -0.01 1.13 1.57 -1.23 0.40 116.57 118.59 3kro h LYS 17 Ca 0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 3kro h LYS 17 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3kro h LYS 17 CO 0.04 0.10 -0.90 -0.22 -0.57 0.00 0.00 179.45 177.90 3kro h LYS 18 N 0.00 0.39 0.00 3.15 3.64 -1.08 -3.30 116.57 119.36 3kro h LYS 18 Ca -0.00 -0.40 -0.08 0.00 -1.27 0.00 0.00 60.65 58.89 3kro h LYS 18 Cb 0.19 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3kro h LYS 18 CO 0.01 1.07 -0.67 0.77 -2.27 0.00 0.00 179.45 178.36 3kro h SER 19 N 0.22 0.00 -4.03 4.20 0.02 -0.10 -3.41 113.55 110.46 3kro h SER 19 Ca -0.07 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.20 3kro h SER 19 Cb 1.53 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.70 3kro h SER 19 CO 0.15 0.35 -0.40 -0.63 -1.14 0.00 0.00 176.83 175.16 3kro s ILE 20 N -3.06 3.49 -0.29 3.27 1.01 0.13 -5.06 121.20 120.70 3kro s ILE 20 Ca 0.02 -3.29 -0.19 0.00 0.00 0.00 0.00 60.65 57.20 3kro s ILE 20 Cb 0.08 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 3kro s ILE 20 CO 0.75 -0.90 0.55 -0.89 0.00 0.00 0.00 174.94 174.45 3kro s THR 21 N -0.43 5.02 0.12 2.92 2.01 -1.26 -4.75 115.64 119.27 3kro s THR 21 Ca 0.19 0.82 -0.31 0.00 0.31 0.00 0.00 61.69 62.70 3kro s THR 21 Cb -0.18 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 3kro s THR 21 CO -0.05 -0.02 1.65 -0.63 -0.69 0.00 0.00 174.62 174.87 3kro s ILE 22 N 2.42 2.76 0.21 1.82 1.01 -1.26 -4.92 121.20 123.24 3kro s ILE 22 Ca 0.22 0.39 -0.07 0.00 0.00 0.00 0.00 60.65 61.19 3kro s ILE 22 Cb -0.15 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.10 3kro s ILE 22 CO 0.10 0.01 0.42 -2.11 0.00 0.00 0.00 174.94 173.36 3kro n ARG 23 N 4.90 0.60 -2.37 2.79 1.85 -1.26 -5.06 116.66 118.11 3kro n ARG 23 Ca 0.15 -1.25 -0.42 0.00 -1.00 0.00 0.00 57.85 55.34 3kro n ARG 23 Cb 0.39 1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 33.29 3kro n ARG 23 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3kro s PRO 24 N -2.09 4.43 -0.20 2.89 0.04 -1.26 -1.03 135.00 137.78 3kro s PRO 24 Ca 0.09 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 62.74 3kro s PRO 24 Cb -0.02 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 3kro s PRO 24 CO 0.07 -0.25 0.78 -1.25 0.04 0.00 0.00 177.00 176.39 3kro s PRO 25 N 0.78 4.24 0.50 0.56 0.04 -1.26 -5.02 135.00 134.85 3kro s PRO 25 Ca 0.58 0.89 0.29 0.00 0.04 0.00 0.00 61.00 62.81 3kro s PRO 25 Cb -0.31 -3.60 1.58 0.00 0.04 0.00 0.00 34.50 32.21 3kro s PRO 25 CO 0.31 -0.37 1.87 0.93 0.04 0.00 0.00 177.00 179.79 3kro h GLU 26 N 7.48 0.00 0.00 4.56 5.08 -1.49 0.55 114.58 130.76 3kro h GLU 26 Ca -0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3kro h GLU 26 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3kro h GLU 26 CO 0.83 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 178.66 3kro h THR 27 N 0.00 0.66 0.00 1.13 1.03 -1.98 0.20 112.91 113.95 3kro h THR 27 Ca 0.00 -0.78 -0.19 0.00 -0.01 0.00 0.00 66.41 65.43 3kro h THR 27 Cb 0.24 1.49 -0.03 0.00 -1.07 0.00 0.00 68.15 68.79 3kro h THR 27 CO 0.00 0.18 -1.44 0.52 -0.01 0.00 0.00 175.52 174.76 3kro n VAL 28 N -3.64 1.50 0.23 0.00 0.31 0.13 -4.48 118.33 112.37 3kro n VAL 28 Ca -0.01 -0.04 0.11 0.00 -0.01 0.00 0.00 64.34 64.38 3kro n VAL 28 Cb 0.31 -2.16 0.46 0.00 -0.91 0.00 0.00 33.84 31.54 3kro n VAL 28 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3kro h PHE 29 N -1.00 0.00 0.73 3.52 -1.00 -1.44 -2.54 116.94 115.22 3kro h PHE 29 Ca -0.29 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.46 3kro h PHE 29 Cb 1.16 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.72 3kro h PHE 29 CO -0.19 0.19 -0.35 0.78 -1.61 0.00 0.00 178.31 177.13 3kro h GLY 30 N 2.26 -1.03 1.13 -1.45 0.00 -0.84 -0.51 103.07 102.64 3kro h GLY 30 Ca -0.00 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 3kro h GLY 30 CO 0.02 -0.37 0.45 -2.55 0.00 0.00 0.00 176.54 174.09 3kro h PRO 31 N -1.12 1.14 -0.59 4.80 0.11 -1.74 -1.15 132.00 133.45 3kro h PRO 31 Ca -0.10 -0.13 0.05 0.00 0.11 0.00 0.00 66.00 65.93 3kro h PRO 31 Cb 0.78 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 31.62 3kro h PRO 31 CO 0.17 0.83 0.33 1.98 -0.21 0.00 0.00 178.00 181.10 3kro h MET 32 N 1.15 0.61 0.24 1.05 4.05 -1.30 -0.20 114.93 120.52 3kro h MET 32 Ca 0.29 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 3kro h MET 32 Cb 0.03 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 3kro h MET 32 CO -0.05 0.40 -0.11 1.25 0.23 0.00 0.00 176.91 178.63 3kro h HIS 33 N 0.63 -0.30 -0.23 1.39 6.17 -0.73 -2.72 115.15 119.36 3kro h HIS 33 Ca 0.26 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.36 3kro h HIS 33 Cb 0.12 0.10 -0.06 0.00 2.52 0.00 0.00 27.41 30.09 3kro h HIS 33 CO -0.08 0.08 -0.42 1.25 0.71 0.00 0.00 177.93 179.47 3kro h HIS 34 N -0.82 -1.28 -0.32 5.26 6.17 -1.01 -2.09 115.15 121.06 3kro h HIS 34 Ca -0.03 0.06 0.02 0.00 0.71 0.00 0.00 60.37 61.13 3kro h HIS 34 Cb 0.51 0.59 -0.02 0.00 2.52 0.00 0.00 27.41 31.01 3kro h HIS 34 CO 0.05 -0.39 0.21 -0.07 0.71 0.00 0.00 177.93 178.45 3kro h LEU 35 N -0.36 0.30 -0.67 0.26 3.38 -1.15 0.19 115.31 117.26 3kro h LEU 35 Ca 0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3kro h LEU 35 Cb 0.48 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3kro h LEU 35 CO -0.41 0.21 0.12 0.74 0.09 0.00 0.00 178.44 179.19 3kro h THR 36 N 0.35 1.26 0.00 0.22 2.02 -1.06 -2.95 112.91 112.75 3kro h THR 36 Ca 0.13 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.28 3kro h THR 36 Cb 0.08 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3kro h THR 36 CO -0.03 0.39 -0.78 0.49 0.37 0.00 0.00 175.52 175.96 3kro n PHE 37 N -4.23 0.11 0.57 3.16 3.01 -0.82 -3.87 117.46 115.39 3kro n PHE 37 Ca 0.04 0.03 0.13 0.00 1.01 0.00 0.00 57.45 58.66 3kro n PHE 37 Cb 0.28 -0.27 0.34 0.00 -0.01 0.00 0.00 39.48 39.82 3kro n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kro h ALA 38 N 2.83 0.92 -2.45 4.37 0.00 -0.59 -3.44 119.26 120.90 3kro h ALA 38 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3kro h ALA 38 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kro h ALA 38 CO 0.00 0.00 0.44 0.00 0.00 0.00 0.00 179.25 179.69 3kro s ALA 39 N -3.13 3.25 0.33 0.00 0.00 -1.12 -4.99 121.76 116.11 3kro s ALA 39 Ca 0.09 0.66 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 3kro s ALA 39 Cb 0.12 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 3kro s ALA 39 CO 0.63 -0.30 1.55 -1.25 0.00 0.00 0.00 175.76 176.39 3kro s PRO 40 N 0.94 4.11 0.96 0.00 0.04 -1.26 -4.92 135.00 134.88 3kro s PRO 40 Ca 0.54 2.58 -0.12 0.00 0.04 0.00 0.00 61.00 64.04 3kro s PRO 40 Cb -0.24 -3.00 0.11 0.00 0.04 0.00 0.00 34.50 31.40 3kro s PRO 40 CO 0.29 -0.59 0.73 0.00 0.04 0.00 0.00 177.00 177.47 3kro n ALA 41 N 1.42 -1.98 -2.62 8.56 0.00 -1.26 -4.94 120.51 119.70 3kro n ALA 41 Ca 0.05 -0.67 -0.24 0.00 0.00 0.00 0.00 53.44 52.58 3kro n ALA 41 Cb 0.38 -1.96 -0.15 0.00 0.00 0.00 0.00 19.45 17.71 3kro n ALA 41 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3kro s THR 42 N -2.49 1.32 0.04 0.00 -1.32 -1.26 -5.01 115.64 106.91 3kro s THR 42 Ca 0.62 -0.70 0.31 0.00 -1.21 0.00 0.00 61.69 60.71 3kro s THR 42 Cb -0.22 -1.11 0.32 0.00 -1.51 0.00 0.00 72.50 69.98 3kro s THR 42 CO 0.63 0.38 1.93 0.00 -2.21 0.00 0.00 174.62 175.35 3kro h ALA 43 N 5.87 1.00 -0.19 11.08 0.00 -2.00 -2.19 119.26 132.83 3kro h ALA 43 Ca -0.35 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3kro h ALA 43 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3kro h ALA 43 CO 0.48 0.00 0.07 0.00 0.00 0.00 0.00 179.25 179.81 3kro h ALA 44 N 2.06 1.78 0.03 0.00 0.00 -1.92 0.13 119.26 121.34 3kro h ALA 44 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3kro h ALA 44 Cb 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kro h ALA 44 CO 0.00 0.18 -0.65 0.77 0.00 0.00 0.00 179.25 179.55 3kro h SER 45 N 0.26 0.52 -0.09 0.00 0.02 -1.67 -2.50 113.55 110.08 3kro h SER 45 Ca 0.07 -0.80 0.03 0.00 -0.84 0.00 0.00 61.79 60.25 3kro h SER 45 Cb 0.06 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3kro h SER 45 CO -0.01 1.26 -0.09 0.74 -1.14 0.00 0.00 176.83 177.59 3kro h THR 46 N -0.15 0.75 -0.92 -2.27 2.02 -1.56 -1.36 112.91 109.41 3kro h THR 46 Ca -0.09 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.19 3kro h THR 46 Cb 1.38 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 68.46 3kro h THR 46 CO 0.13 0.00 0.56 0.25 0.37 0.00 0.00 175.52 176.82 3kro h LEU 47 N -0.11 0.82 -0.30 2.58 5.85 -0.84 0.14 115.31 123.45 3kro h LEU 47 Ca 0.07 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3kro h LEU 47 Cb 0.20 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3kro h LEU 47 CO -0.16 0.46 0.05 0.00 -0.34 0.00 0.00 178.44 178.45 3kro h LEU 49 N 0.15 0.76 -0.95 0.00 3.38 -0.69 -2.88 115.31 115.08 3kro h LEU 49 Ca 0.14 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3kro h LEU 49 Cb 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3kro h LEU 49 CO -0.20 1.02 0.49 0.00 0.09 0.00 0.00 178.44 179.84 3kro h ALA 50 N 0.76 1.19 -0.23 1.53 0.00 -0.56 -2.00 119.26 119.95 3kro h ALA 50 Ca 0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3kro h ALA 50 Cb 0.76 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kro h ALA 50 CO 0.06 0.65 -0.28 0.00 0.00 0.00 0.00 179.25 179.68 3kro h ALA 51 N 1.30 1.10 0.19 0.00 0.00 -0.98 0.27 119.26 121.14 3kro h ALA 51 Ca 0.31 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kro h ALA 51 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kro h ALA 51 CO -0.05 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.67 3kro h GLU 53 N -0.36 0.61 -0.87 0.00 5.08 -1.20 0.23 114.58 118.07 3kro h GLU 53 Ca -0.03 -0.10 0.19 0.00 -1.00 0.00 0.00 59.36 58.42 3kro h GLU 53 Cb 0.28 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.31 3kro h GLU 53 CO 0.04 0.55 0.40 1.25 -1.00 0.00 0.00 179.01 180.25 3kro h LEU 54 N 0.52 0.38 -0.81 1.33 5.85 -0.35 0.31 115.31 122.55 3kro h LEU 54 Ca 0.14 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3kro h LEU 54 Cb 0.16 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3kro h LEU 54 CO -0.01 0.08 -0.02 1.33 -0.34 0.00 0.00 178.44 179.48 3kro n VAL 55 N -4.99 0.00 0.00 1.05 0.24 -0.81 -4.90 118.33 108.92 3kro n VAL 55 Ca 0.20 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3kro n VAL 55 Cb 0.56 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 3kro n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kro n GLY 56 N 1.17 0.92 3.77 7.63 0.00 0.11 -4.80 105.19 113.99 3kro n GLY 56 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3kro n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kro s GLY 57 N -1.71 1.60 0.21 -0.02 0.00 0.79 -4.92 107.32 103.27 3kro s GLY 57 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 44.72 44.19 3kro s GLY 57 CO 0.00 0.17 0.70 -0.35 0.00 0.00 0.00 173.10 173.63 3kro s ASP 58 N -3.83 7.03 0.28 1.64 -1.08 -1.26 -3.79 116.67 115.65 3kro s ASP 58 Ca 0.63 1.38 0.02 0.00 -0.52 0.00 0.00 52.55 54.06 3kro s ASP 58 Cb -0.16 -2.40 0.66 0.00 -1.46 0.00 0.00 42.92 39.56 3kro s ASP 58 CO 0.55 0.04 1.73 -0.09 0.52 0.00 0.00 175.17 177.91 3kro h ARG 59 N 3.42 0.51 0.00 4.34 2.43 -1.93 -1.12 114.38 122.02 3kro h ARG 59 Ca -0.48 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3kro h ARG 59 Cb 1.19 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3kro h ARG 59 CO 0.65 0.34 -0.08 0.66 -1.51 0.00 0.00 179.97 180.03 3kro h SER 60 N 0.52 0.00 0.24 -3.80 4.64 -1.99 -2.29 113.55 110.88 3kro h SER 60 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3kro h SER 60 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3kro h SER 60 CO -0.45 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 175.59 3kro n GLN 61 N -3.92 0.11 0.00 4.77 6.02 -0.42 -2.22 117.38 121.71 3kro n GLN 61 Ca -0.02 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 3kro n GLN 61 Cb 0.17 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.64 3kro n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kro n ALA 62 N -1.69 1.55 -0.11 -1.58 0.00 -0.88 -4.75 120.51 113.05 3kro n ALA 62 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 3kro n ALA 62 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3kro n ALA 62 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3kro h MET 63 N 0.00 0.61 -0.51 0.00 -1.53 -1.22 -0.57 114.93 111.72 3kro h MET 63 Ca 0.00 -0.24 0.04 0.00 -3.44 0.00 0.00 59.70 56.06 3kro h MET 63 Cb 0.60 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.57 3kro h MET 63 CO 0.00 0.80 0.27 0.00 0.14 0.00 0.00 176.91 178.12 3kro h ALA 64 N 0.80 0.65 -0.78 0.39 0.00 -1.86 0.31 119.26 118.78 3kro h ALA 64 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kro h ALA 64 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kro h ALA 64 CO 0.03 -0.06 0.34 0.00 0.00 0.00 0.00 179.25 179.55 3kro h ALA 65 N 1.26 1.01 -0.47 0.00 0.00 -1.86 0.15 119.26 119.35 3kro h ALA 65 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kro h ALA 65 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kro h ALA 65 CO -0.14 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.87 3kro h ALA 66 N 1.17 0.62 -0.53 0.00 0.00 -0.45 0.12 119.26 120.19 3kro h ALA 66 Ca 0.26 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3kro h ALA 66 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kro h ALA 66 CO -0.03 0.27 -0.11 0.00 0.00 0.00 0.00 179.25 179.38 3kro h ALA 67 N 1.00 0.80 -0.67 0.00 0.00 -0.63 -1.22 119.26 118.55 3kro h ALA 67 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kro h ALA 67 Cb 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3kro h ALA 67 CO -0.01 0.66 0.34 0.00 0.00 0.00 0.00 179.25 180.25 3kro h ALA 68 N 0.98 1.33 -0.36 0.00 0.00 0.04 0.33 119.26 121.58 3kro h ALA 68 Ca 0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3kro h ALA 68 Cb 0.67 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kro h ALA 68 CO 0.05 0.53 -0.07 0.82 0.00 0.00 0.00 179.25 180.58 3kro h ILE 69 N 0.94 1.27 -0.19 0.00 2.04 -0.52 -0.59 117.51 120.47 3kro h ILE 69 Ca 0.24 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.98 3kro h ILE 69 Cb 0.07 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3kro h ILE 69 CO -0.03 0.37 0.09 -0.74 0.00 0.00 0.00 178.15 177.84 3kro h HIS 70 N 0.48 0.18 -0.83 1.37 2.76 -0.63 -0.20 115.15 118.28 3kro h HIS 70 Ca 0.09 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3kro h HIS 70 Cb 0.57 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.42 3kro h HIS 70 CO 0.05 0.10 0.51 -0.07 -1.30 0.00 0.00 177.93 177.22 3kro h LEU 71 N 0.20 0.82 -0.44 0.26 3.38 -0.80 1.17 115.31 119.90 3kro h LEU 71 Ca 0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3kro h LEU 71 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kro h LEU 71 CO -0.05 0.54 0.14 0.58 0.09 0.00 0.00 178.44 179.74 3kro h VAL 72 N 0.96 1.22 -0.42 1.22 2.07 -0.82 0.24 116.25 120.73 3kro h VAL 72 Ca 0.35 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3kro h VAL 72 Cb 0.13 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3kro h VAL 72 CO -0.16 0.26 0.19 -0.74 0.02 0.00 0.00 177.57 177.15 3kro h HIS 73 N 0.58 0.61 -0.76 1.57 -0.00 -0.08 -1.36 115.15 115.71 3kro h HIS 73 Ca 0.14 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3kro h HIS 73 Cb 0.26 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 3kro h HIS 73 CO 0.01 0.51 0.43 0.00 -0.00 0.00 0.00 177.93 178.88 3kro h ALA 74 N 1.04 0.97 -0.42 5.26 0.00 0.18 0.14 119.26 126.43 3kro h ALA 74 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kro h ALA 74 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kro h ALA 74 CO -0.02 0.47 0.17 0.00 0.00 0.00 0.00 179.25 179.87 3kro h ALA 75 N 1.22 0.55 -0.73 0.00 0.00 -0.34 -0.17 119.26 119.80 3kro h ALA 75 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3kro h ALA 75 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kro h ALA 75 CO -0.05 0.16 0.33 0.00 0.00 0.00 0.00 179.25 179.69 3kro h ALA 76 N 1.01 1.21 0.28 0.00 0.00 -0.58 -0.92 119.26 120.26 3kro h ALA 76 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kro h ALA 76 Cb 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kro h ALA 76 CO -0.01 0.60 -0.15 -0.92 0.00 0.00 0.00 179.25 178.76 3kro h TYR 77 N 1.04 -0.39 0.43 0.00 3.20 -0.50 0.34 116.97 121.10 3kro h TYR 77 Ca 0.25 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3kro h TYR 77 Cb 0.14 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 3kro h TYR 77 CO 0.01 -0.24 -0.48 0.28 -1.64 0.00 0.00 178.16 176.09 3kro h VAL 78 N -0.40 0.06 -0.91 1.81 2.07 -0.69 -2.64 116.25 115.54 3kro h VAL 78 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 3kro h VAL 78 Cb 0.32 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 3kro h VAL 78 CO 0.05 0.00 0.59 0.45 0.02 0.00 0.00 177.57 178.68 3kro h HIS 79 N -0.93 0.88 0.00 1.57 3.86 -1.03 -0.71 115.15 118.79 3kro h HIS 79 Ca -0.05 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3kro h HIS 79 Cb 0.83 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.02 3kro h HIS 79 CO -0.27 0.32 0.00 -0.85 0.86 0.00 0.00 177.93 177.99 3kro n GLU 80 N -4.58 0.01 -1.41 2.45 0.28 0.12 -2.76 120.64 114.76 3kro n GLU 80 Ca 0.18 0.17 -0.19 0.00 -0.16 0.00 0.00 57.16 57.16 3kro n GLU 80 Cb 0.46 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.93 3kro n GLU 80 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3kro n HIS 81 N -1.49 2.20 -3.07 -1.84 8.25 -0.27 -5.01 115.22 113.98 3kro n HIS 81 Ca 0.05 -2.16 -0.40 0.00 -0.26 0.00 0.00 57.72 54.95 3kro n HIS 81 Cb 0.22 -0.64 -0.05 0.00 1.12 0.00 0.00 29.99 30.64 3kro n HIS 81 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kro s LEU 82 N -3.52 4.27 -0.19 2.41 1.43 -1.11 -4.94 118.68 117.03 3kro s LEU 82 Ca 0.51 1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 54.41 3kro s LEU 82 Cb 0.43 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3kro s LEU 82 CO 0.01 -0.16 1.75 -2.84 0.23 0.00 0.00 176.35 175.34 3kro s PRO 83 N 1.11 3.73 -0.14 1.29 0.02 -1.26 -4.97 135.00 134.79 3kro s PRO 83 Ca 0.35 1.82 -0.04 0.00 0.02 0.00 0.00 61.00 63.15 3kro s PRO 83 Cb -0.17 -4.10 -0.03 0.00 0.02 0.00 0.00 34.50 30.21 3kro s PRO 83 CO 0.15 -1.38 0.01 -0.51 -0.33 0.00 0.00 177.00 174.94 3kro s LEU 84 N 5.59 3.54 0.38 -5.54 1.43 -1.26 -4.99 118.68 117.82 3kro s LEU 84 Ca 0.78 0.03 0.16 0.00 -1.03 0.00 0.00 54.13 54.07 3kro s LEU 84 Cb -0.28 -1.85 0.77 0.00 0.03 0.00 0.00 46.19 44.86 3kro s LEU 84 CO 0.32 0.25 1.81 0.71 0.23 0.00 0.00 176.35 179.67 3kro h THR 85 N 4.70 1.08 -0.28 5.49 1.35 -2.02 -3.17 112.91 120.06 3kro h THR 85 Ca -0.40 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3kro h THR 85 Cb 1.18 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3kro h THR 85 CO 0.62 0.36 0.00 -0.90 -0.25 0.00 0.00 175.52 175.35 3kro n ASP 86 N -3.84 2.20 -2.49 5.36 5.75 -1.26 -4.94 116.55 117.34 3kro n ASP 86 Ca -0.01 -1.84 -0.13 0.00 -0.01 0.00 0.00 54.79 52.79 3kro n ASP 86 Cb 0.44 -0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 40.34 3kro n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kro n GLY 87 N 1.22 -0.50 0.21 6.12 0.00 -1.20 -4.86 105.19 106.18 3kro n GLY 87 Ca 0.16 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 3kro n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kro h SER 88 N -0.06 0.84 -3.37 1.61 4.64 -1.92 -3.43 113.55 111.86 3kro h SER 88 Ca -0.31 -0.63 -0.56 0.00 -0.47 0.00 0.00 61.79 59.82 3kro h SER 88 Cb 1.23 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.02 3kro h SER 88 CO 0.37 1.33 0.10 -0.60 -0.87 0.00 0.00 176.83 177.16 3kro s ARG 89 N -3.75 4.45 0.24 4.77 3.52 -1.26 -5.01 118.95 121.90 3kro s ARG 89 Ca -0.11 0.92 -0.29 0.00 -0.13 0.00 0.00 55.73 56.11 3kro s ARG 89 Cb 0.08 -3.44 -0.15 0.00 -1.56 0.00 0.00 34.95 29.87 3kro s ARG 89 CO 0.88 0.07 0.93 -0.35 -0.81 0.00 0.00 175.30 176.01 3kro n PRO 90 N 3.74 0.98 -1.74 5.12 -0.04 -1.26 -4.80 135.00 136.99 3kro n PRO 90 Ca -0.01 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 3kro n PRO 90 Cb 0.51 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 3kro n PRO 90 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kro s VAL 91 N -0.87 3.16 -0.44 0.52 1.01 -1.26 -4.92 120.40 117.61 3kro s VAL 91 Ca 0.63 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 3kro s VAL 91 Cb -0.79 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3kro s VAL 91 CO 0.58 -0.23 1.28 -0.94 0.00 0.00 0.00 175.10 175.79 3kro s SER 92 N 8.91 6.48 0.17 3.32 1.04 -1.26 -4.92 113.70 127.44 3kro s SER 92 Ca 0.90 0.66 -0.19 0.00 0.48 0.00 0.00 55.95 57.80 3kro s SER 92 Cb -0.23 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.45 3kro s SER 92 CO 0.30 -1.35 1.64 0.11 0.98 0.00 0.00 173.24 174.92 3kro h LYS 93 N 10.01 -0.10 -5.86 4.02 1.79 -2.04 -3.25 116.57 121.14 3kro h LYS 93 Ca -0.25 0.01 -0.45 0.00 -2.18 0.00 0.00 60.65 57.77 3kro h LYS 93 Cb 1.08 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.69 3kro h LYS 93 CO 1.11 -0.07 1.21 -1.25 -1.08 0.00 0.00 179.45 179.37 3kro s PRO 94 N -6.16 3.09 -0.47 3.15 0.04 -1.26 -4.91 135.00 128.48 3kro s PRO 94 Ca -0.14 -0.87 -0.29 0.00 0.04 0.00 0.00 61.00 59.75 3kro s PRO 94 Cb 0.15 -5.24 0.03 0.00 0.04 0.00 0.00 34.50 29.47 3kro s PRO 94 CO 0.70 -2.88 1.11 0.00 0.04 0.00 0.00 177.00 175.98 3kro s ALA 95 N 7.62 3.18 0.52 8.56 0.00 -1.23 -5.02 121.76 135.39 3kro s ALA 95 Ca 0.59 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 3kro s ALA 95 Cb -0.02 -3.86 -0.06 0.00 0.00 0.00 0.00 23.12 19.18 3kro s ALA 95 CO -0.02 -2.20 1.19 -1.50 0.00 0.00 0.00 175.76 173.23 3kro s ILE 96 N 4.34 2.86 0.55 0.00 1.10 -1.26 -5.00 121.20 123.79 3kro s ILE 96 Ca 0.47 0.59 -0.15 0.00 -0.51 0.00 0.00 60.65 61.05 3kro s ILE 96 Cb -0.08 -3.27 -0.07 0.00 0.15 0.00 0.00 42.46 39.20 3kro s ILE 96 CO 0.30 -0.06 1.00 -1.10 -2.11 0.00 0.00 174.94 172.98 3kro s GLN 97 N -3.02 3.80 -0.21 3.50 -1.52 -1.26 -5.07 119.66 115.89 3kro s GLN 97 Ca 0.70 0.94 0.01 0.00 -1.95 0.00 0.00 55.36 55.06 3kro s GLN 97 Cb -0.30 -2.11 0.05 0.00 -0.22 0.00 0.00 33.01 30.43 3kro s GLN 97 CO 0.34 -0.40 -0.10 -1.01 -0.25 0.00 0.00 175.29 173.87 3kro s HIS 98 N -2.73 2.50 -0.29 0.91 3.76 -1.26 -4.96 115.29 113.23 3kro s HIS 98 Ca 0.59 -1.68 0.19 0.00 -0.15 0.00 0.00 55.06 54.00 3kro s HIS 98 Cb -0.11 -1.67 0.17 0.00 1.11 0.00 0.00 32.58 32.09 3kro s HIS 98 CO 0.37 -0.76 1.46 -0.22 -0.85 0.00 0.00 174.74 174.74 3kro h LYS 99 N 7.95 0.00 -5.73 1.40 3.64 -2.04 -3.46 116.57 118.33 3kro h LYS 99 Ca -0.26 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.58 3kro h LYS 99 Cb 1.09 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.77 3kro h LYS 99 CO 0.47 0.23 -0.70 0.71 -2.27 0.00 0.00 179.45 177.90 3kro s TYR 100 N -3.10 2.09 0.67 1.91 2.02 -1.26 -5.14 117.35 114.54 3kro s TYR 100 Ca 0.05 -0.57 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 3kro s TYR 100 Cb 0.07 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.49 3kro s TYR 100 CO 0.72 0.44 1.05 0.20 -1.57 0.00 0.00 175.55 176.39 3kro s GLY 101 N -3.48 1.73 0.17 0.71 0.00 -1.26 -4.78 107.32 100.41 3kro s GLY 101 Ca 0.29 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.87 3kro s GLY 101 CO 0.13 0.40 1.57 -2.55 0.00 0.00 0.00 173.10 172.65 3kro h PRO 102 N -0.47 -0.20 -0.90 2.90 0.11 -1.99 -0.25 132.00 131.19 3kro h PRO 102 Ca -0.44 0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.87 3kro h PRO 102 Cb 1.21 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.26 3kro h PRO 102 CO 0.58 -0.13 0.46 -2.95 -0.21 0.00 0.00 178.00 175.74 3kro h ASN 103 N -0.21 0.52 0.07 -2.05 -1.07 -1.98 0.12 115.58 110.98 3kro h ASN 103 Ca 0.19 0.12 -0.20 0.00 0.07 0.00 0.00 56.30 56.48 3kro h ASN 103 Cb 0.56 0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 3kro h ASN 103 CO -0.70 0.15 -0.73 0.58 0.07 0.00 0.00 177.43 176.80 3kro h VAL 104 N 0.57 1.33 0.01 6.14 2.07 -1.48 -2.01 116.25 122.89 3kro h VAL 104 Ca 0.53 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 3kro h VAL 104 Cb 0.86 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3kro h VAL 104 CO -0.43 0.63 -0.01 -0.33 0.02 0.00 0.00 177.57 177.45 3kro h GLU 105 N 0.40 -0.02 -0.16 1.57 5.08 0.03 -1.89 114.58 119.59 3kro h GLU 105 Ca -0.04 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3kro h GLU 105 Cb 1.33 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 3kro h GLU 105 CO 0.14 0.27 -0.21 1.25 -1.00 0.00 0.00 179.01 179.46 3kro h LEU 106 N -0.31 -0.66 -1.16 1.33 5.85 -0.75 0.91 115.31 120.53 3kro h LEU 106 Ca -0.00 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3kro h LEU 106 Cb 0.30 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3kro h LEU 106 CO 0.00 -0.26 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.58 3kro h LEU 107 N -0.25 0.34 -0.35 2.25 3.38 -1.37 -2.53 115.31 116.79 3kro h LEU 107 Ca 0.11 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3kro h LEU 107 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kro h LEU 107 CO -0.31 0.55 -0.11 0.74 0.09 0.00 0.00 178.44 179.41 3kro h THR 108 N 0.32 1.28 -0.96 0.22 2.02 -0.97 -0.78 112.91 114.05 3kro h THR 108 Ca 0.06 -1.19 0.13 0.00 0.77 0.00 0.00 66.41 66.18 3kro h THR 108 Cb 0.53 1.33 -0.08 0.00 -1.74 0.00 0.00 68.15 68.19 3kro h THR 108 CO 0.03 0.39 0.61 1.23 0.37 0.00 0.00 175.52 178.15 3kro h GLY 109 N 0.47 1.47 2.00 2.16 0.00 -0.54 -0.14 103.07 108.49 3kro h GLY 109 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kro h GLY 109 CO 0.04 0.13 0.00 -0.55 0.00 0.00 0.00 176.54 176.16 3kro h ASP 110 N 0.88 0.00 0.74 0.19 3.32 -0.82 -3.06 116.42 117.66 3kro h ASP 110 Ca 0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.42 3kro h ASP 110 Cb 0.57 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3kro h ASP 110 CO -0.24 0.00 -1.34 0.61 -1.72 0.00 0.00 179.24 176.54 3kro n GLY 111 N 0.35 -1.27 0.11 2.75 0.00 -0.27 -4.29 105.19 102.57 3kro n GLY 111 Ca 0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 3kro n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kro h ILE 112 N 0.00 1.48 -0.19 -0.61 2.04 -1.00 -2.91 117.51 116.32 3kro h ILE 112 Ca -0.11 -1.84 0.05 0.00 1.00 0.00 0.00 64.86 63.96 3kro h ILE 112 Cb 1.38 2.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.96 3kro h ILE 112 CO 0.03 0.52 -0.15 0.58 0.00 0.00 0.00 178.15 179.12 3kro h VAL 113 N -0.32 0.58 0.00 1.67 2.07 -1.75 0.92 116.25 119.42 3kro h VAL 113 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kro h VAL 113 Cb 1.00 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3kro h VAL 113 CO 0.06 0.00 -0.07 1.55 0.02 0.00 0.00 177.57 179.13 3kro h PRO 114 N -0.16 0.00 -0.13 1.57 0.13 -1.75 -1.71 132.00 129.95 3kro h PRO 114 Ca 0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 3kro h PRO 114 Cb 0.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 3kro h PRO 114 CO -0.28 0.07 -0.18 0.35 -0.23 0.00 0.00 178.00 177.73 3kro h PHE 115 N 0.00 0.23 -0.41 1.56 3.04 -0.62 0.59 116.94 121.33 3kro h PHE 115 Ca -0.00 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.94 3kro h PHE 115 Cb 0.33 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.75 3kro h PHE 115 CO 0.00 0.40 0.24 0.78 -2.02 0.00 0.00 178.31 177.71 3kro h GLY 116 N 0.82 0.57 1.74 2.40 0.00 -0.80 0.13 103.07 107.92 3kro h GLY 116 Ca 0.04 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3kro h GLY 116 CO 0.03 0.16 -0.50 0.74 0.00 0.00 0.00 176.54 176.97 3kro h PHE 117 N 0.49 0.35 0.14 5.60 0.04 -1.46 -0.91 116.94 121.18 3kro h PHE 117 Ca 0.16 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3kro h PHE 117 Cb 0.01 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3kro h PHE 117 CO -0.07 0.73 -0.07 1.49 -0.60 0.00 0.00 178.31 179.79 3kro h GLU 118 N 0.23 -0.19 -0.70 1.51 4.81 -0.41 0.32 114.58 120.15 3kro h GLU 118 Ca 0.01 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 3kro h GLU 118 Cb 0.96 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.31 3kro h GLU 118 CO 0.08 -0.01 0.32 -0.07 -0.73 0.00 0.00 179.01 178.60 3kro h LEU 119 N -0.33 0.38 -0.10 1.64 3.38 -0.49 0.60 115.31 120.39 3kro h LEU 119 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kro h LEU 119 Cb 0.26 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kro h LEU 119 CO 0.03 0.20 0.02 -0.07 0.09 0.00 0.00 178.44 178.72 3kro h LEU 120 N 0.53 0.15 -0.68 1.67 3.38 -0.88 0.27 115.31 119.75 3kro h LEU 120 Ca 0.35 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3kro h LEU 120 Cb 0.42 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3kro h LEU 120 CO -0.30 0.35 0.20 0.00 0.09 0.00 0.00 178.44 178.78 3kro h ALA 121 N 0.80 0.89 0.00 1.53 0.00 -0.59 -1.80 119.26 120.09 3kro h ALA 121 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kro h ALA 121 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kro h ALA 121 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3kro n GLY 122 N -0.72 -0.97 0.68 0.00 0.00 0.21 -2.53 105.19 101.85 3kro n GLY 122 Ca 0.05 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.12 3kro n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kro n SER 123 N -1.45 2.04 -4.65 1.61 3.41 0.93 -4.90 113.62 110.62 3kro n SER 123 Ca 0.05 -1.76 -0.42 0.00 -0.26 0.00 0.00 58.87 56.48 3kro n SER 123 Cb 0.16 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3kro n SER 123 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kro s VAL 124 N -1.77 3.67 -0.37 -3.33 1.01 -1.05 -4.94 120.40 113.61 3kro s VAL 124 Ca 0.34 0.79 -0.21 0.00 0.00 0.00 0.00 61.98 62.90 3kro s VAL 124 Cb 0.19 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 33.02 3kro s VAL 124 CO 0.28 -0.12 0.68 -0.62 0.00 0.00 0.00 175.10 175.32 3kro s ASP 125 N 3.52 6.44 0.63 3.32 -1.08 -1.26 -4.89 116.67 123.35 3kro s ASP 125 Ca 0.72 0.13 0.32 0.00 -0.52 0.00 0.00 52.55 53.19 3kro s ASP 125 Cb -0.30 -2.34 1.74 0.00 -1.46 0.00 0.00 42.92 40.56 3kro s ASP 125 CO 0.28 -0.66 2.05 1.55 0.52 0.00 0.00 175.17 178.91 3kro h PRO 126 N 8.54 0.00 -0.00 4.34 0.13 -2.00 0.29 132.00 143.29 3kro h PRO 126 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3kro h PRO 126 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3kro h PRO 126 CO 0.86 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.60 3kro n ALA 127 N -2.15 2.44 -3.17 -0.56 0.00 -1.26 -4.63 120.51 111.18 3kro n ALA 127 Ca 0.01 -0.13 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 3kro n ALA 127 Cb 0.35 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 3kro n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kro s ARG 128 N -2.92 2.65 0.62 0.00 1.81 0.10 -4.97 118.95 116.24 3kro s ARG 128 Ca 0.16 -1.33 0.38 0.00 -1.72 0.00 0.00 55.73 53.23 3kro s ARG 128 Cb 0.19 -3.72 2.05 0.00 -0.45 0.00 0.00 34.95 33.02 3kro s ARG 128 CO 0.53 -0.85 2.26 1.79 -0.68 0.00 0.00 175.30 178.34 3kro h THR 129 N 6.04 0.16 -0.01 0.02 1.35 -1.82 -1.99 112.91 116.67 3kro h THR 129 Ca -0.23 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3kro h THR 129 Cb 1.09 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3kro h THR 129 CO 0.71 0.02 -0.28 0.47 -0.25 0.00 0.00 175.52 176.19 3kro n ASP 130 N -3.28 1.18 -0.06 5.36 8.00 -1.26 -4.52 116.55 121.96 3kro n ASP 130 Ca -0.02 -0.99 -0.07 0.00 0.71 0.00 0.00 54.79 54.42 3kro n ASP 130 Cb 0.13 0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 3kro n ASP 130 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kro h ASP 131 N 1.40 -0.42 0.48 -2.24 5.19 -1.68 -2.91 116.42 116.24 3kro h ASP 131 Ca 0.00 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 3kro h ASP 131 Cb 0.54 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 3kro h ASP 131 CO 0.00 -0.16 -0.43 -0.65 -3.12 0.00 0.00 179.24 174.88 3kro h PRO 132 N -0.09 -0.87 -0.97 3.56 0.11 -1.79 -1.52 132.00 130.42 3kro h PRO 132 Ca 0.14 0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.34 3kro h PRO 132 Cb 0.30 0.20 -0.06 0.00 0.11 0.00 0.00 31.00 31.55 3kro h PRO 132 CO -0.33 -0.58 0.64 -0.44 -0.21 0.00 0.00 178.00 177.08 3kro h ASP 133 N -0.91 1.07 -0.24 -2.05 3.32 -1.87 0.17 116.42 115.92 3kro h ASP 133 Ca -0.05 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.82 3kro h ASP 133 Cb 0.79 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3kro h ASP 133 CO -0.03 0.74 -0.47 0.03 -1.72 0.00 0.00 179.24 177.79 3kro h ARG 134 N 1.24 0.81 -0.07 3.56 3.08 -1.43 -1.41 114.38 120.16 3kro h ARG 134 Ca 0.38 -0.46 -0.21 0.00 0.07 0.00 0.00 59.98 59.75 3kro h ARG 134 Cb -0.03 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3kro h ARG 134 CO -0.11 1.10 -0.82 0.82 -1.07 0.00 0.00 179.97 179.88 3kro h ILE 135 N 0.64 1.35 -0.15 2.04 2.04 -1.02 -1.49 117.51 120.92 3kro h ILE 135 Ca 0.03 -2.18 0.01 0.00 1.00 0.00 0.00 64.86 63.73 3kro h ILE 135 Cb 1.05 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 3kro h ILE 135 CO 0.10 0.66 0.06 0.25 0.00 0.00 0.00 178.15 179.23 3kro h LEU 136 N 0.35 0.08 -0.49 1.44 5.85 -0.56 -0.58 115.31 121.39 3kro h LEU 136 Ca -0.06 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3kro h LEU 136 Cb 1.43 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 3kro h LEU 136 CO 0.15 0.07 0.25 -0.09 -0.34 0.00 0.00 178.44 178.47 3kro h ARG 137 N 0.14 0.47 -0.40 1.25 2.43 -1.16 -2.07 114.38 115.03 3kro h ARG 137 Ca 0.06 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3kro h ARG 137 Cb 0.03 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3kro h ARG 137 CO -0.06 0.31 0.13 0.28 -1.51 0.00 0.00 179.97 179.13 3kro h VAL 138 N 0.48 1.17 -0.46 0.20 2.07 -0.76 -0.04 116.25 118.91 3kro h VAL 138 Ca 0.21 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3kro h VAL 138 Cb 0.12 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3kro h VAL 138 CO -0.15 0.21 -0.01 0.40 0.02 0.00 0.00 177.57 178.04 3kro h ILE 139 N 0.57 1.26 -0.37 4.57 2.04 -0.70 0.98 117.51 125.86 3kro h ILE 139 Ca 0.14 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3kro h ILE 139 Cb 0.16 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3kro h ILE 139 CO -0.01 0.37 0.21 0.40 0.00 0.00 0.00 178.15 179.12 3kro h ILE 140 N 0.67 1.14 -0.26 -0.67 2.04 -0.59 -0.07 117.51 119.77 3kro h ILE 140 Ca 0.13 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3kro h ILE 140 Cb 0.51 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3kro h ILE 140 CO 0.03 0.14 0.06 -0.33 0.00 0.00 0.00 178.15 178.05 3kro h GLU 141 N 0.47 0.16 -0.22 2.37 4.39 -0.58 -0.15 114.58 121.03 3kro h GLU 141 Ca 0.13 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 3kro h GLU 141 Cb 0.05 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3kro h GLU 141 CO -0.02 0.11 -0.50 0.82 -1.16 0.00 0.00 179.01 178.26 3kro h ILE 142 N 0.17 1.30 -0.31 3.13 2.04 -0.71 -2.23 117.51 120.90 3kro h ILE 142 Ca 0.12 -1.72 -0.05 0.00 1.00 0.00 0.00 64.86 64.21 3kro h ILE 142 Cb 0.10 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3kro h ILE 142 CO -0.14 0.54 -0.02 0.77 0.00 0.00 0.00 178.15 179.31 3kro h SER 143 N 0.45 0.45 -0.25 1.72 4.64 -0.89 -0.49 113.55 119.17 3kro h SER 143 Ca -0.00 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.07 3kro h SER 143 Cb 1.11 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3kro h SER 143 CO 0.11 0.53 -0.49 0.03 -0.87 0.00 0.00 176.83 176.14 3kro h ARG 144 N 0.46 0.78 -0.14 4.77 3.08 -0.92 -2.17 114.38 120.24 3kro h ARG 144 Ca 0.10 -0.50 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 3kro h ARG 144 Cb 0.33 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3kro h ARG 144 CO 0.01 1.13 -0.40 0.00 -1.07 0.00 0.00 179.97 179.64 3kro h ALA 145 N 0.65 1.06 -0.01 0.04 0.00 -1.13 -2.57 119.26 117.29 3kro h ALA 145 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kro h ALA 145 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kro h ALA 145 CO 0.11 0.60 -0.21 0.41 0.00 0.00 0.00 179.25 180.15 3kro n GLY 146 N -0.17 -0.36 1.03 0.00 0.00 -0.22 -0.42 105.19 105.06 3kro n GLY 146 Ca -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 3kro n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 147 N 1.31 -0.68 0.43 -0.02 0.00 -0.82 -4.26 105.19 101.15 3kro n GLY 147 Ca 0.13 -1.76 0.25 0.00 0.00 0.00 0.00 46.02 44.64 3kro n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kro h PRO 148 N 0.00 0.00 -0.41 1.61 0.13 -1.88 -1.02 132.00 130.43 3kro h PRO 148 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3kro h PRO 148 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 3kro h PRO 148 CO 0.08 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.24 3kro n GLU 149 N -4.28 2.43 0.00 0.86 1.02 -1.26 -3.35 120.64 116.06 3kro n GLU 149 Ca 0.15 -2.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.06 3kro n GLU 149 Cb 0.82 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 3kro n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kro n GLY 150 N 1.32 1.23 0.37 0.62 0.00 -0.40 -4.77 105.19 103.55 3kro n GLY 150 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3kro n GLY 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3kro h MET 151 N 0.00 0.91 -0.47 1.61 1.85 -0.71 0.55 114.93 118.68 3kro h MET 151 Ca 0.00 -0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 58.97 3kro h MET 151 Cb 0.00 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 31.80 3kro h MET 151 CO 0.00 0.60 0.04 0.82 -0.40 0.00 0.00 176.91 177.98 3kro h ILE 152 N 0.94 1.23 -0.67 1.77 2.04 -1.70 0.13 117.51 121.25 3kro h ILE 152 Ca 0.48 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3kro h ILE 152 Cb 0.51 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3kro h ILE 152 CO -0.25 0.32 0.29 0.28 0.00 0.00 0.00 178.15 178.80 3kro h SER 153 N 0.72 0.88 -0.27 1.72 0.02 -0.89 0.12 113.55 115.84 3kro h SER 153 Ca 0.15 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3kro h SER 153 Cb 0.38 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3kro h SER 153 CO 0.01 0.76 -0.21 1.23 -1.14 0.00 0.00 176.83 177.48 3kro h GLY 154 N 1.03 0.68 1.02 -3.77 0.00 -1.05 -0.63 103.07 100.34 3kro h GLY 154 Ca 0.23 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3kro h GLY 154 CO -0.03 0.60 0.57 1.41 0.00 0.00 0.00 176.54 179.10 3kro h LEU 155 N 0.35 1.11 -0.17 3.11 3.38 -0.46 0.85 115.31 123.48 3kro h LEU 155 Ca 0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3kro h LEU 155 Cb 0.76 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kro h LEU 155 CO 0.06 0.84 -0.11 -0.74 0.09 0.00 0.00 178.44 178.58 3kro h HIS 156 N 1.28 0.44 0.00 1.13 2.76 -0.51 -3.24 115.15 117.00 3kro h HIS 156 Ca 0.34 -0.12 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 3kro h HIS 156 Cb -0.07 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 3kro h HIS 156 CO 0.00 0.71 -0.45 0.00 -1.30 0.00 0.00 177.93 176.89 3kro h ARG 157 N 0.04 0.00 -0.67 5.26 2.47 -0.95 -2.89 114.38 117.64 3kro h ARG 157 Ca 0.03 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.89 3kro h ARG 157 Cb 0.61 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.89 3kro h ARG 157 CO 0.03 0.45 0.45 1.49 0.56 0.00 0.00 179.97 182.96 3kro h GLU 158 N 0.00 0.29 0.00 0.04 4.81 -0.85 0.49 114.58 119.36 3kro h GLU 158 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kro h GLU 158 Cb 1.06 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3kro h GLU 158 CO 0.06 0.19 0.00 0.39 -0.73 0.00 0.00 179.01 178.92 3kro n GLU 159 N -4.45 0.12 0.00 1.92 1.02 -1.09 -1.96 120.64 116.20 3kro n GLU 159 Ca 0.12 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.59 3kro n GLU 159 Cb 0.52 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.58 3kro n GLU 159 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kro n GLU 160 N -1.36 0.58 -2.23 3.49 1.02 0.16 -4.71 120.64 117.61 3kro n GLU 160 Ca 0.05 -0.42 -0.43 0.00 -0.02 0.00 0.00 57.16 56.34 3kro n GLU 160 Cb 0.11 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 3kro n GLU 160 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kro s ILE 161 N -2.71 3.94 -0.41 -3.67 1.01 -0.83 -4.99 121.20 113.55 3kro s ILE 161 Ca 0.16 1.15 -0.18 0.00 0.00 0.00 0.00 60.65 61.78 3kro s ILE 161 Cb 0.18 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.92 3kro s ILE 161 CO 0.65 -0.10 0.47 -0.69 0.00 0.00 0.00 174.94 175.27 3kro s VAL 162 N 3.69 5.05 0.28 2.92 1.01 -1.26 -4.97 120.40 127.12 3kro s VAL 162 Ca 0.64 -0.17 0.22 0.00 0.00 0.00 0.00 61.98 62.67 3kro s VAL 162 Cb -0.27 -4.03 0.34 0.00 0.00 0.00 0.00 36.38 32.41 3kro s VAL 162 CO 0.22 -0.39 0.93 0.47 0.00 0.00 0.00 175.10 176.33 3kro n ASP 163 N 5.69 0.09 -0.66 3.32 8.00 -1.26 -0.01 116.55 131.72 3kro n ASP 163 Ca -0.06 0.77 0.05 0.00 0.71 0.00 0.00 54.79 56.25 3kro n ASP 163 Cb 0.48 -0.38 0.09 0.00 -0.02 0.00 0.00 41.12 41.29 3kro n ASP 163 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kro n GLY 164 N -1.37 2.76 1.13 0.44 0.00 -1.26 -4.65 105.19 102.24 3kro n GLY 164 Ca 0.25 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.50 3kro n GLY 164 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kro n ASN 165 N -0.49 0.49 -4.10 1.61 5.15 0.99 -5.08 115.26 113.83 3kro n ASN 165 Ca 0.10 -1.96 -0.25 0.00 -0.60 0.00 0.00 54.58 51.88 3kro n ASN 165 Cb 0.80 -0.20 -0.16 0.00 -0.53 0.00 0.00 39.78 39.68 3kro n ASN 165 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kro s THR 166 N 0.00 1.26 0.94 -0.44 -4.23 -1.19 -4.78 115.64 107.20 3kro s THR 166 Ca 0.20 -0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 59.98 3kro s THR 166 Cb 0.23 -1.09 0.14 0.00 1.34 0.00 0.00 72.50 73.12 3kro s THR 166 CO -0.10 0.37 1.01 -1.54 -0.54 0.00 0.00 174.62 173.82 3kro n SER 167 N 3.17 -0.18 0.18 3.99 3.41 -1.26 -4.85 113.62 118.08 3kro n SER 167 Ca -0.18 0.37 0.03 0.00 -0.26 0.00 0.00 58.87 58.83 3kro n SER 167 Cb 0.53 -1.42 0.31 0.00 -0.26 0.00 0.00 64.21 63.37 3kro n SER 167 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kro h LEU 168 N -1.90 0.00 -0.72 1.04 3.38 -1.99 -2.35 115.31 112.78 3kro h LEU 168 Ca -0.44 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3kro h LEU 168 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3kro h LEU 168 CO 0.40 0.44 0.18 0.44 0.09 0.00 0.00 178.44 180.00 3kro h ASP 169 N 0.00 1.08 -0.17 -0.43 3.32 -1.99 0.34 116.42 118.57 3kro h ASP 169 Ca -0.00 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 3kro h ASP 169 Cb 0.86 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3kro h ASP 169 CO 0.06 1.03 -0.39 0.15 -1.72 0.00 0.00 179.24 178.37 3kro h PHE 170 N 1.09 0.72 -0.42 4.55 3.57 -1.90 -2.14 116.94 122.41 3kro h PHE 170 Ca 0.23 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3kro h PHE 170 Cb 0.36 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3kro h PHE 170 CO 0.03 1.02 0.23 0.82 -2.23 0.00 0.00 178.31 178.18 3kro h ILE 171 N 0.21 1.15 -0.60 1.41 1.08 -1.26 -1.39 117.51 118.11 3kro h ILE 171 Ca -0.00 -0.39 0.07 0.00 -0.39 0.00 0.00 64.86 64.15 3kro h ILE 171 Cb 1.00 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 35.34 3kro h ILE 171 CO 0.09 0.16 0.29 -0.08 -0.69 0.00 0.00 178.15 177.91 3kro h GLU 172 N 0.54 0.51 -0.37 2.37 4.81 -0.90 -0.93 114.58 120.61 3kro h GLU 172 Ca 0.15 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3kro h GLU 172 Cb 0.05 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3kro h GLU 172 CO -0.02 0.34 0.18 -0.92 -0.73 0.00 0.00 179.01 177.85 3kro h TYR 173 N 0.53 0.33 -0.64 0.92 3.20 -0.75 -0.40 116.97 120.16 3kro h TYR 173 Ca 0.28 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.23 3kro h TYR 173 Cb 0.25 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3kro h TYR 173 CO -0.12 0.17 0.42 0.28 -1.64 0.00 0.00 178.16 177.28 3kro h VAL 174 N 0.37 1.02 0.00 1.81 2.07 -0.66 -1.62 116.25 119.23 3kro h VAL 174 Ca 0.16 -0.22 -0.21 0.00 0.82 0.00 0.00 66.70 67.25 3kro h VAL 174 Cb 0.07 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3kro h VAL 174 CO -0.11 0.12 -0.90 0.00 0.02 0.00 0.00 177.57 176.70 3kro h LYS 176 N 0.16 0.80 -0.02 0.00 3.64 -0.60 0.28 116.57 120.83 3kro h LYS 176 Ca -0.06 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 3kro h LYS 176 Cb 1.52 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3kro h LYS 176 CO 0.14 0.93 -0.14 0.87 -2.27 0.00 0.00 179.45 178.99 3kro h LYS 177 N 0.70 0.12 -0.12 1.90 6.56 -1.21 0.33 116.57 124.86 3kro h LYS 177 Ca 0.10 -0.11 -0.06 0.00 -1.06 0.00 0.00 60.65 59.52 3kro h LYS 177 Cb 0.71 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.40 3kro h LYS 177 CO 0.05 0.80 -0.17 -0.22 -2.06 0.00 0.00 179.45 177.85 3kro h LYS 178 N -0.51 0.32 0.00 3.15 3.64 -0.56 -3.17 116.57 119.44 3kro h LYS 178 Ca -0.01 -0.19 -0.20 0.00 -1.27 0.00 0.00 60.65 58.98 3kro h LYS 178 Cb 0.83 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 3kro h LYS 178 CO 0.03 0.77 -1.72 0.66 -2.27 0.00 0.00 179.45 176.92 3kro n TYR 179 N -4.55 0.00 -0.20 1.91 4.02 0.73 -4.67 117.16 114.41 3kro n TYR 179 Ca -0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.81 3kro n TYR 179 Cb 0.39 -0.48 0.09 0.00 -0.02 0.00 0.00 39.34 39.32 3kro n TYR 179 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3kro h GLY 180 N 0.60 0.83 0.57 2.72 0.00 -0.05 -1.55 103.07 106.19 3kro h GLY 180 Ca -0.29 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 46.95 3kro h GLY 180 CO -0.08 0.03 0.21 -2.09 0.00 0.00 0.00 176.54 174.61 3kro h GLU 181 N 0.46 0.39 -0.35 4.80 4.57 -0.54 -0.39 114.58 123.53 3kro h GLU 181 Ca 0.28 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 3kro h GLU 181 Cb 0.29 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3kro h GLU 181 CO -0.25 0.26 -0.16 1.98 -1.18 0.00 0.00 179.01 179.66 3kro h MET 182 N 0.41 0.72 -0.49 1.92 4.05 -1.75 -1.52 114.93 118.26 3kro h MET 182 Ca 0.25 -0.31 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 3kro h MET 182 Cb 0.24 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 3kro h MET 182 CO -0.23 0.91 0.25 0.45 0.23 0.00 0.00 176.91 178.52 3kro h HIS 183 N 0.50 0.70 -0.93 1.39 3.86 -1.06 0.14 115.15 119.76 3kro h HIS 183 Ca 0.08 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3kro h HIS 183 Cb 0.69 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.89 3kro h HIS 183 CO 0.06 0.54 0.61 0.00 0.86 0.00 0.00 177.93 180.00 3kro h ALA 184 N 1.09 1.41 0.35 2.45 0.00 -1.01 -1.16 119.26 122.39 3kro h ALA 184 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kro h ALA 184 Cb 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kro h ALA 184 CO -0.02 0.49 -0.17 0.00 0.00 0.00 0.00 179.25 179.55 3kro h GLY 186 N -0.58 1.00 1.10 0.00 0.00 -0.17 0.18 103.07 104.61 3kro h GLY 186 Ca -0.05 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3kro h GLY 186 CO 0.08 0.23 -0.26 0.00 0.00 0.00 0.00 176.54 176.59 3kro h ALA 187 N 1.32 0.64 -0.53 3.60 0.00 -1.13 0.24 119.26 123.40 3kro h ALA 187 Ca 0.29 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kro h ALA 187 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kro h ALA 187 CO -0.14 0.65 0.28 0.00 0.00 0.00 0.00 179.25 180.04 3kro h ALA 188 N 0.84 0.68 -0.14 0.00 0.00 -0.54 -1.37 119.26 118.73 3kro h ALA 188 Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kro h ALA 188 Cb 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kro h ALA 188 CO 0.07 0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.56 3kro h GLY 190 N 0.00 1.58 1.02 0.00 0.00 -0.41 0.14 103.07 105.40 3kro h GLY 190 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 3kro h GLY 190 CO 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 176.54 176.57 3kro h ALA 191 N 1.54 0.64 0.13 3.60 0.00 -0.94 -0.35 119.26 123.88 3kro h ALA 191 Ca 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3kro h ALA 191 Cb 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kro h ALA 191 CO -0.29 0.50 -0.06 0.82 0.00 0.00 0.00 179.25 180.21 3kro h ILE 192 N 0.72 0.95 0.00 0.00 2.04 -0.48 -1.70 117.51 119.03 3kro h ILE 192 Ca 0.12 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3kro h ILE 192 Cb 0.60 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3kro h ILE 192 CO 0.04 0.07 -0.10 -0.07 0.00 0.00 0.00 178.15 178.09 3kro h LEU 193 N -0.32 0.00 0.00 1.44 3.38 -0.64 -1.59 115.31 117.58 3kro h LEU 193 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kro h LEU 193 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kro h LEU 193 CO 0.03 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.27 3kro n GLY 194 N -1.16 -1.13 1.11 0.83 0.00 -0.15 -4.91 105.19 99.78 3kro n GLY 194 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3kro n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 195 N 1.01 0.75 3.71 -0.02 0.00 -0.60 -4.00 105.19 106.04 3kro n GLY 195 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3kro n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kro s ALA 196 N -2.18 1.84 0.61 4.61 0.00 -0.66 -5.03 121.76 120.95 3kro s ALA 196 Ca 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 3kro s ALA 196 Cb 0.00 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.74 3kro s ALA 196 CO 0.00 -2.28 0.89 0.00 0.00 0.00 0.00 175.76 174.37 3kro s ALA 197 N -2.54 3.41 0.25 0.00 0.00 -1.26 -4.82 121.76 116.81 3kro s ALA 197 Ca 0.67 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 3kro s ALA 197 Cb -0.23 -2.45 0.47 0.00 0.00 0.00 0.00 23.12 20.91 3kro s ALA 197 CO 0.54 -0.92 1.74 0.93 0.00 0.00 0.00 175.76 178.04 3kro h GLU 198 N -0.22 0.47 -0.29 0.00 4.39 -1.99 -1.14 114.58 115.80 3kro h GLU 198 Ca -0.44 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.24 3kro h GLU 198 Cb 1.28 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 3kro h GLU 198 CO 0.59 0.31 0.17 1.49 -1.16 0.00 0.00 179.01 180.41 3kro h GLU 199 N 0.48 0.34 -0.24 2.33 4.81 -2.00 -0.88 114.58 119.43 3kro h GLU 199 Ca 0.42 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3kro h GLU 199 Cb 0.63 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3kro h GLU 199 CO -0.39 0.23 0.15 0.93 -0.73 0.00 0.00 179.01 179.20 3kro h GLU 200 N 0.35 0.31 0.05 1.92 5.08 -1.69 -2.02 114.58 118.59 3kro h GLU 200 Ca 0.11 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3kro h GLU 200 Cb -0.01 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3kro h GLU 200 CO -0.05 0.20 -0.26 0.82 -1.00 0.00 0.00 179.01 178.73 3kro h ILE 201 N 0.32 0.43 -0.88 3.13 2.04 -0.93 -0.34 117.51 121.28 3kro h ILE 201 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 3kro h ILE 201 Cb -0.03 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 3kro h ILE 201 CO -0.02 0.00 0.54 -0.61 0.00 0.00 0.00 178.15 178.06 3kro h GLN 202 N -0.43 0.94 0.23 2.37 5.75 -1.06 0.28 115.11 123.20 3kro h GLN 202 Ca 0.05 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3kro h GLN 202 Cb 0.48 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.82 3kro h GLN 202 CO -0.19 0.62 -0.11 0.87 -2.65 0.00 0.00 178.83 177.37 3kro h LYS 203 N 0.97 -0.30 -0.44 1.69 1.57 -0.83 0.25 116.57 119.48 3kro h LYS 203 Ca 0.39 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.16 3kro h LYS 203 Cb 0.21 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3kro h LYS 203 CO -0.19 -0.16 0.14 -0.07 -0.57 0.00 0.00 179.45 178.60 3kro h LEU 204 N -0.37 0.59 0.04 2.94 3.38 -0.59 -0.97 115.31 120.33 3kro h LEU 204 Ca -0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kro h LEU 204 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kro h LEU 204 CO 0.05 0.57 -0.07 -0.09 0.09 0.00 0.00 178.44 178.99 3kro h ARG 205 N 0.63 -0.14 -0.57 1.13 2.43 -0.16 0.53 114.38 118.24 3kro h ARG 205 Ca 0.15 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3kro h ARG 205 Cb 0.19 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3kro h ARG 205 CO -0.01 -0.10 0.34 -0.91 -1.51 0.00 0.00 179.97 177.79 3kro h ASN 206 N -0.15 0.55 -0.21 -3.80 2.35 -0.55 0.39 115.58 114.16 3kro h ASN 206 Ca 0.02 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3kro h ASN 206 Cb 0.16 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3kro h ASN 206 CO -0.05 0.38 0.09 0.15 -1.65 0.00 0.00 177.43 176.36 3kro h PHE 207 N 0.67 0.17 -0.87 1.19 3.57 -0.93 -1.83 116.94 118.90 3kro h PHE 207 Ca 0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3kro h PHE 207 Cb 0.04 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3kro h PHE 207 CO -0.06 0.09 0.56 0.78 -2.23 0.00 0.00 178.31 177.44 3kro h GLY 208 N 0.20 1.24 0.51 2.40 0.00 -0.15 0.20 103.07 107.48 3kro h GLY 208 Ca 0.09 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.97 3kro h GLY 208 CO -0.07 0.47 -0.15 -2.00 0.00 0.00 0.00 176.54 174.79 3kro h LEU 209 N 1.19 -0.47 -0.32 3.11 5.85 -0.42 0.27 115.31 124.52 3kro h LEU 209 Ca 0.32 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 3kro h LEU 209 Cb -0.10 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kro h LEU 209 CO -0.06 -0.20 -0.01 1.88 -0.34 0.00 0.00 178.44 179.70 3kro h TYR 210 N -0.21 0.63 -0.60 1.25 -1.99 -1.02 -2.37 116.97 112.65 3kro h TYR 210 Ca 0.08 -0.11 0.12 0.00 2.00 0.00 0.00 58.73 60.81 3kro h TYR 210 Cb 0.33 -0.16 -0.09 0.00 2.00 0.00 0.00 36.73 38.80 3kro h TYR 210 CO -0.25 0.71 0.09 0.37 -0.00 0.00 0.00 178.16 179.08 3kro h GLN 211 N 0.37 0.21 -0.03 4.88 5.75 -0.21 -0.03 115.11 126.05 3kro h GLN 211 Ca 0.09 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.41 3kro h GLN 211 Cb 0.46 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 3kro h GLN 211 CO 0.02 0.14 -0.73 0.78 -2.65 0.00 0.00 178.83 176.39 3kro h GLY 212 N 0.22 0.20 0.99 2.39 0.00 -0.34 -0.42 103.07 106.11 3kro h GLY 212 Ca 0.31 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3kro h GLY 212 CO -0.43 0.27 -0.04 -0.84 0.00 0.00 0.00 176.54 175.50 3kro h THR 213 N 0.12 1.27 -0.39 4.70 2.02 -0.87 -0.69 112.91 119.06 3kro h THR 213 Ca -0.02 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 3kro h THR 213 Cb 1.29 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 3kro h THR 213 CO 0.11 0.38 0.19 0.25 0.37 0.00 0.00 175.52 176.82 3kro h LEU 214 N 0.64 0.51 -0.12 2.58 6.46 -0.91 0.20 115.31 124.68 3kro h LEU 214 Ca 0.12 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3kro h LEU 214 Cb 0.55 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 3kro h LEU 214 CO 0.03 0.49 0.04 -0.09 -0.62 0.00 0.00 178.44 178.29 3kro h ARG 215 N 0.50 0.18 -0.11 1.25 9.65 -0.83 -2.50 114.38 122.52 3kro h ARG 215 Ca 0.14 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.91 3kro h ARG 215 Cb 0.11 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3kro h ARG 215 CO -0.02 0.30 -0.24 0.78 2.80 0.00 0.00 179.97 183.60 3kro h GLY 216 N 0.02 0.21 0.45 2.80 0.00 -1.01 -1.38 103.07 104.16 3kro h GLY 216 Ca 0.04 -0.15 0.13 0.00 0.00 0.00 0.00 47.33 47.35 3kro h GLY 216 CO -0.00 0.14 0.62 1.98 0.00 0.00 0.00 176.54 179.28 3kro h MET 217 N 0.18 0.90 0.03 4.80 1.85 -0.20 -1.57 114.93 120.92 3kro h MET 217 Ca 0.03 -0.05 -0.22 0.00 -0.61 0.00 0.00 59.70 58.85 3kro h MET 217 Cb 0.53 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 3kro h MET 217 CO 0.04 0.60 -0.97 0.52 -0.40 0.00 0.00 176.91 176.69 3kro h MET 218 N 0.93 0.24 0.00 0.39 2.07 -0.85 -2.81 114.93 114.90 3kro h MET 218 Ca 0.50 -0.29 0.00 0.00 -2.07 0.00 0.00 59.70 57.84 3kro h MET 218 Cb 0.56 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.38 3kro h MET 218 CO -0.27 1.04 0.23 0.93 1.07 0.00 0.00 176.91 179.91 3kro h GLU 219 N 0.12 0.00 0.00 1.72 4.39 -0.71 0.94 114.58 121.04 3kro h GLU 219 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3kro h GLU 219 Cb 1.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 3kro h GLU 219 CO 0.15 0.00 -0.52 -1.33 -1.16 0.00 0.00 179.01 176.15 3kro n MET 220 N -2.38 3.85 -0.24 2.33 2.81 -1.13 -4.69 117.12 117.68 3kro n MET 220 Ca -0.01 -0.01 0.04 0.00 -1.81 0.00 0.00 57.70 55.90 3kro n MET 220 Cb 0.26 -0.85 0.16 0.00 -0.71 0.00 0.00 33.22 32.07 3kro n MET 220 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3kro h LYS 221 N 0.00 0.35 0.00 0.03 3.64 -0.53 0.64 116.57 120.70 3kro h LYS 221 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kro h LYS 221 Cb 0.16 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3kro h LYS 221 CO 0.00 0.23 0.00 0.27 -2.27 0.00 0.00 179.45 177.68 3kro n ASN 222 N -5.06 0.00 0.03 4.20 6.94 -1.25 -3.64 115.26 116.48 3kro n ASN 222 Ca 0.12 -1.31 -0.00 0.00 -0.02 0.00 0.00 54.58 53.38 3kro n ASN 222 Cb 0.38 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.80 3kro n ASN 222 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3kro n SER 223 N -0.53 0.78 -4.40 0.53 2.88 0.20 -4.93 113.62 108.15 3kro n SER 223 Ca 0.01 0.10 -0.45 0.00 -1.33 0.00 0.00 58.87 57.20 3kro n SER 223 Cb 0.00 -0.24 -0.01 0.00 -0.75 0.00 0.00 64.21 63.21 3kro n SER 223 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3kro s HIS 224 N -1.70 3.55 -0.95 0.66 3.76 0.16 -4.96 115.29 115.81 3kro s HIS 224 Ca -0.00 -1.91 -0.26 0.00 -0.15 0.00 0.00 55.06 52.73 3kro s HIS 224 Cb 0.00 -4.10 -0.18 0.00 1.11 0.00 0.00 32.58 29.41 3kro s HIS 224 CO 0.00 -1.25 2.24 -1.14 -0.85 0.00 0.00 174.74 173.74 3kro s GLN 225 N 1.16 1.41 0.00 1.40 2.00 -1.26 -3.41 119.66 120.97 3kro s GLN 225 Ca 0.31 -0.03 0.00 0.00 -2.00 0.00 0.00 55.36 53.64 3kro s GLN 225 Cb -0.07 -4.90 0.00 0.00 0.80 0.00 0.00 33.01 28.85 3kro s GLN 225 CO -0.07 -4.98 0.00 -0.11 -0.50 0.00 0.00 175.29 169.63 3kro n LEU 226 N 19.06 0.00 -4.45 3.68 7.94 -1.26 -5.07 117.00 136.90 3kro n LEU 226 Ca 0.44 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 55.19 3kro n LEU 226 Cb 0.45 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.26 3kro n LEU 226 CO 0.57 0.00 1.57 2.30 -1.11 0.00 0.00 177.39 180.72 3kro n ILE 227 N 0.00 0.00 -2.04 1.96 -6.64 -1.22 -4.87 119.36 106.55 3kro n ILE 227 Ca 0.00 -0.45 -0.41 0.00 -1.77 0.00 0.00 62.75 60.12 3kro n ILE 227 Cb 0.00 -0.77 -0.02 0.00 -1.44 0.00 0.00 39.64 37.41 3kro n ILE 227 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3kro s ASP 228 N 3.96 6.68 0.16 7.28 -1.08 -1.26 -4.85 116.67 127.55 3kro s ASP 228 Ca 0.96 2.71 0.09 0.00 -0.52 0.00 0.00 52.55 55.79 3kro s ASP 228 Cb -0.44 -2.64 0.52 0.00 -1.46 0.00 0.00 42.92 38.90 3kro s ASP 228 CO 0.30 -0.64 1.25 -0.62 0.52 0.00 0.00 175.17 175.98 3kro n GLU 229 N 1.52 0.06 0.02 4.34 4.71 -1.26 -2.00 120.64 128.02 3kro n GLU 229 Ca 0.03 0.53 -0.17 0.00 -0.01 0.00 0.00 57.16 57.54 3kro n GLU 229 Cb 0.41 -1.77 -0.07 0.00 -1.01 0.00 0.00 31.44 28.99 3kro n GLU 229 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 3kro h ASN 230 N 0.00 0.86 0.55 1.62 4.21 -1.98 -2.95 115.58 117.88 3kro h ASN 230 Ca 0.00 -0.62 -0.03 0.00 1.21 0.00 0.00 56.30 56.87 3kro h ASN 230 Cb 0.14 -0.26 0.01 0.00 -1.12 0.00 0.00 38.32 37.09 3kro h ASN 230 CO 0.00 1.41 -0.26 0.40 -1.29 0.00 0.00 177.43 177.69 3kro h ILE 231 N 0.44 0.40 -0.07 2.81 2.04 -1.78 -0.39 117.51 120.95 3kro h ILE 231 Ca -0.08 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3kro h ILE 231 Cb 1.52 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3kro h ILE 231 CO 0.17 0.04 0.11 0.16 0.00 0.00 0.00 178.15 178.63 3kro h ILE 232 N -0.91 0.37 0.05 -0.67 3.07 -1.69 -0.96 117.51 116.77 3kro h ILE 232 Ca -0.08 0.00 -0.27 0.00 1.55 0.00 0.00 64.86 66.07 3kro h ILE 232 Cb 0.62 0.91 -0.02 0.00 -0.27 0.00 0.00 36.82 38.06 3kro h ILE 232 CO 0.12 0.00 -1.36 1.23 -1.05 0.00 0.00 178.15 177.09 3kro h GLY 233 N 0.00 0.13 1.15 0.16 0.00 -1.32 -2.76 103.07 100.44 3kro h GLY 233 Ca 0.04 -0.32 -0.21 0.00 0.00 0.00 0.00 47.33 46.83 3kro h GLY 233 CO -0.00 0.28 -0.69 1.70 0.00 0.00 0.00 176.54 177.83 3kro h LYS 234 N 0.03 0.82 -0.32 4.80 3.64 0.14 -2.65 116.57 123.04 3kro h LYS 234 Ca -0.16 -0.62 -0.13 0.00 -1.27 0.00 0.00 60.65 58.47 3kro h LYS 234 Cb 1.93 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.85 3kro h LYS 234 CO 0.14 1.23 -0.34 -0.07 -2.27 0.00 0.00 179.45 178.13 3kro h LEU 235 N 0.57 0.73 0.07 5.20 3.38 -1.35 -2.23 115.31 121.69 3kro h LEU 235 Ca -0.03 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3kro h LEU 235 Cb 1.32 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3kro h LEU 235 CO 0.15 1.01 -0.03 0.50 0.09 0.00 0.00 178.44 180.15 3kro h LYS 236 N 0.59 -0.09 -0.02 1.13 3.64 -1.48 0.29 116.57 120.62 3kro h LYS 236 Ca 0.06 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3kro h LYS 236 Cb 0.86 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 3kro h LYS 236 CO 0.07 0.04 -0.09 1.49 -2.27 0.00 0.00 179.45 178.70 3kro h GLU 237 N -0.21 -0.14 -1.00 1.90 4.81 -1.46 0.73 114.58 119.20 3kro h GLU 237 Ca -0.01 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 3kro h GLU 237 Cb 0.18 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.50 3kro h GLU 237 CO 0.02 -0.10 0.63 -0.07 -0.73 0.00 0.00 179.01 178.76 3kro h LEU 238 N -0.15 0.89 0.29 1.64 3.38 -1.26 0.32 115.31 120.42 3kro h LEU 238 Ca 0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kro h LEU 238 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kro h LEU 238 CO -0.11 0.44 -0.14 0.00 0.09 0.00 0.00 178.44 178.71 3kro h ALA 239 N 1.57 -0.55 -0.03 1.53 0.00 -0.15 -2.83 119.26 118.80 3kro h ALA 239 Ca 0.52 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.35 3kro h ALA 239 Cb 0.60 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kro h ALA 239 CO -0.29 -0.52 0.20 -0.07 0.00 0.00 0.00 179.25 178.58 3kro h LEU 240 N -0.76 0.00 0.10 0.00 3.38 0.60 0.14 115.31 118.77 3kro h LEU 240 Ca -0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.64 3kro h LEU 240 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3kro h LEU 240 CO 0.07 0.00 -1.42 -0.33 0.09 0.00 0.00 178.44 176.85 3kro h GLU 241 N 0.00 0.21 0.00 1.13 5.08 -0.43 -3.25 114.58 117.32 3kro h GLU 241 Ca 0.01 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3kro h GLU 241 Cb 0.42 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3kro h GLU 241 CO -0.00 1.08 -0.02 1.49 -1.00 0.00 0.00 179.01 180.56 3kro h GLU 242 N 0.06 0.00 0.00 2.33 4.57 -0.46 0.13 114.58 121.20 3kro h GLU 242 Ca -0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3kro h GLU 242 Cb 1.98 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 3kro h GLU 242 CO 0.16 0.02 0.00 1.28 -1.18 0.00 0.00 179.01 179.29 3kro n LEU 243 N -3.19 0.00 -4.54 1.64 4.77 -1.11 -4.75 117.00 109.82 3kro n LEU 243 Ca -0.01 0.45 -0.37 0.00 -0.03 0.00 0.00 56.01 56.04 3kro n LEU 243 Cb 0.19 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 3kro n LEU 243 CO 0.24 -0.09 2.07 0.61 -1.33 0.00 0.00 177.39 178.89 3kro n GLY 244 N 0.85 -0.03 0.00 -0.72 0.00 0.03 -0.64 105.19 104.69 3kro n GLY 244 Ca 0.07 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.87 3kro n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kro n GLY 245 N 6.16 -0.62 2.60 -0.02 0.00 -1.26 -5.10 105.19 106.96 3kro n GLY 245 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 3kro n GLY 245 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kro s PHE 246 N -0.36 0.82 0.16 1.61 0.08 0.19 -5.14 117.98 115.33 3kro s PHE 246 Ca 0.00 -1.23 0.07 0.00 0.12 0.00 0.00 56.93 55.89 3kro s PHE 246 Cb 0.00 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 3kro s PHE 246 CO 0.00 -0.84 -0.03 -1.01 -0.10 0.00 0.00 175.22 173.24 3kro s HIS 247 N 1.84 2.82 -3.44 0.36 3.76 -1.26 -4.47 115.29 114.89 3kro s HIS 247 Ca 0.10 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 3kro s HIS 247 Cb -0.17 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.13 3kro s HIS 247 CO -0.30 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 3kro n GLY 248 N 0.07 0.75 0.03 -2.22 0.00 -1.26 -4.60 105.19 97.95 3kro n GLY 248 Ca -0.10 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 3kro n GLY 248 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kro h LYS 249 N 0.00 0.00 0.00 1.61 3.11 -1.96 -3.01 116.57 116.32 3kro h LYS 249 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3kro h LYS 249 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 3kro h LYS 249 CO 0.00 0.00 -0.00 -0.97 -2.81 0.00 0.00 179.45 175.67 3kro h ASN 250 N -0.40 0.00 0.16 4.20 -1.24 -1.94 7.37 115.58 123.73 3kro h ASN 250 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3kro h ASN 250 Cb 0.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.23 3kro h ASN 250 CO 0.00 0.00 -0.02 0.00 -1.29 0.00 0.00 177.43 176.12 3kro n ALA 251 N -2.35 2.66 -2.06 1.57 0.00 -1.26 -3.11 120.51 115.96 3kro n ALA 251 Ca -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.16 3kro n ALA 251 Cb 0.08 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.11 3kro n ALA 251 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kro n GLU 252 N -0.84 0.00 -0.01 0.00 1.02 0.28 -4.41 120.64 116.68 3kro n GLU 252 Ca 0.20 -0.78 0.07 0.00 -0.02 0.00 0.00 57.16 56.62 3kro n GLU 252 Cb 0.21 -0.19 -0.11 0.00 -0.02 0.00 0.00 31.44 31.33 3kro n GLU 252 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3kro n LEU 253 N 0.06 0.01 -0.17 -4.62 7.94 2.30 -4.09 117.00 118.43 3kro n LEU 253 Ca -0.02 -0.01 -0.01 0.00 -1.11 0.00 0.00 56.01 54.86 3kro n LEU 253 Cb 0.69 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.86 3kro n LEU 253 CO -0.02 0.00 1.11 0.24 -1.11 0.00 0.00 177.39 177.62 3kro h MET 254 N 0.00 0.91 -0.31 1.96 2.86 -1.74 0.12 114.93 118.73 3kro h MET 254 Ca 0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3kro h MET 254 Cb 0.62 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3kro h MET 254 CO 0.00 0.70 0.00 -1.13 1.06 0.00 0.00 176.91 177.54 3kro n SER 255 N -4.35 0.31 -0.65 1.22 3.41 -1.26 -2.85 113.62 109.45 3kro n SER 255 Ca 0.06 -1.07 0.10 0.00 -0.26 0.00 0.00 58.87 57.70 3kro n SER 255 Cb 0.12 -0.16 0.32 0.00 -0.26 0.00 0.00 64.21 64.24 3kro n SER 255 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kro n SER 256 N -0.07 1.94 -0.01 4.04 7.64 0.03 -3.40 113.62 123.79 3kro n SER 256 Ca 0.00 -1.79 0.05 0.00 1.01 0.00 0.00 58.87 58.14 3kro n SER 256 Cb 0.08 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 3kro n SER 256 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3kro n LEU 257 N 0.51 0.00 -1.60 -3.43 7.94 -1.13 -4.44 117.00 114.85 3kro n LEU 257 Ca 0.16 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.94 3kro n LEU 257 Cb 0.36 0.01 0.08 0.00 0.53 0.00 0.00 43.42 44.41 3kro n LEU 257 CO 0.13 0.01 0.89 1.33 -1.11 0.00 0.00 177.39 178.64 3kro n VAL 258 N -1.91 2.08 0.83 1.96 0.24 -1.22 -5.00 118.33 115.30 3kro n VAL 258 Ca -0.03 -0.94 0.10 0.00 -2.04 0.00 0.00 64.34 61.43 3kro n VAL 258 Cb 0.32 -0.78 0.08 0.00 -1.47 0.00 0.00 33.84 31.99 3kro n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69