#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bss n ARG 3 N 0.00 2.44 -1.49 0.00 1.74 -1.26 -5.00 116.66 113.09 3bss n ARG 3 Ca 0.00 0.86 -0.30 0.00 -0.77 0.00 0.00 57.85 57.64 3bss n ARG 3 Cb 0.00 -2.57 0.09 0.00 -1.02 0.00 0.00 32.46 28.96 3bss n ARG 3 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3bss s THR 4 N -0.41 3.19 0.24 0.55 -4.23 -1.26 -4.97 115.64 108.75 3bss s THR 4 Ca 0.61 0.39 0.05 0.00 -1.18 0.00 0.00 61.69 61.56 3bss s THR 4 Cb -0.54 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 3bss s THR 4 CO 0.54 -0.51 1.58 1.05 -0.54 0.00 0.00 174.62 176.74 3bss h GLU 5 N -1.09 0.23 -6.33 3.99 9.09 -1.95 -3.45 114.58 115.06 3bss h GLU 5 Ca -0.47 -0.15 -0.60 0.00 0.05 0.00 0.00 59.36 58.19 3bss h GLU 5 Cb 1.26 0.02 -0.11 0.00 -1.65 0.00 0.00 28.75 28.27 3bss h GLU 5 CO 0.58 0.75 -0.65 0.15 0.05 0.00 0.00 179.01 179.88 3bss s LYS 6 N -3.79 2.43 -0.01 1.06 1.02 -1.26 -0.67 119.74 118.52 3bss s LYS 6 Ca -0.04 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 54.87 3bss s LYS 6 Cb 0.12 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 3bss s LYS 6 CO 0.79 0.46 -0.01 -1.50 -0.92 0.00 0.00 175.35 174.17 3bss s ILE 7 N -1.72 0.16 -0.13 2.17 2.07 -0.36 -3.65 121.20 119.73 3bss s ILE 7 Ca 0.28 -0.02 -0.24 0.00 -1.41 0.00 0.00 60.65 59.26 3bss s ILE 7 Cb -0.09 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.28 3bss s ILE 7 CO 0.19 0.08 0.74 -0.31 -1.91 0.00 0.00 174.94 173.74 3bss s TYR 8 N 0.37 3.48 -0.30 3.50 2.02 0.19 -0.14 117.35 126.47 3bss s TYR 8 Ca -0.03 1.20 -0.04 0.00 -0.37 0.00 0.00 57.07 57.82 3bss s TYR 8 Cb -0.06 -2.89 0.03 0.00 -0.40 0.00 0.00 41.96 38.64 3bss s TYR 8 CO -0.01 -0.10 0.04 0.42 -1.57 0.00 0.00 175.55 174.33 3bss s ILE 9 N 1.57 3.41 -0.46 2.71 1.01 -0.04 -0.46 121.20 128.93 3bss s ILE 9 Ca 0.36 -1.10 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 3bss s ILE 9 Cb -0.17 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.47 3bss s ILE 9 CO 0.14 -0.04 0.68 -0.47 0.00 0.00 0.00 174.94 175.26 3bss s TYR 10 N 1.36 3.03 0.00 3.97 6.04 0.43 -0.90 117.35 131.28 3bss s TYR 10 Ca -0.02 -0.14 0.00 0.00 0.04 0.00 0.00 57.07 56.96 3bss s TYR 10 Cb -0.19 -3.49 0.00 0.00 -1.04 0.00 0.00 41.96 37.25 3bss s TYR 10 CO 0.00 -0.96 0.00 0.41 -1.54 0.00 0.00 175.55 173.46 3bss n GLY 11 N 5.07 2.48 1.58 8.97 0.00 0.68 0.49 105.19 124.47 3bss n GLY 11 Ca -0.02 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 3bss n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bss n ALA 12 N 0.03 4.87 -2.55 4.61 0.00 -1.25 -3.81 120.51 122.41 3bss n ALA 12 Ca 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.22 3bss n ALA 12 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3bss n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bss n SER 13 N -1.07 0.00 -0.16 0.00 7.64 -1.26 -4.92 113.62 113.86 3bss n SER 13 Ca 0.43 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 60.22 3bss n SER 13 Cb 1.11 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.31 3bss n SER 13 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3bss h GLY 14 N 0.00 0.71 1.20 0.23 0.00 -1.93 -2.10 103.07 101.18 3bss h GLY 14 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3bss h GLY 14 CO 0.00 0.34 0.25 0.84 0.00 0.00 0.00 176.54 177.97 3bss h HIS 15 N 0.60 1.03 -0.86 5.60 -0.00 -1.91 -2.59 115.15 117.01 3bss h HIS 15 Ca 0.16 -0.08 0.05 0.00 -0.00 0.00 0.00 60.37 60.50 3bss h HIS 15 Cb 0.13 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.18 3bss h HIS 15 CO -0.01 0.80 0.56 0.78 -0.00 0.00 0.00 177.93 180.07 3bss h GLY 16 N 1.06 1.23 0.69 5.26 0.00 -1.55 -1.40 103.07 108.36 3bss h GLY 16 Ca 0.23 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.20 3bss h GLY 16 CO -0.02 0.33 0.21 1.41 0.00 0.00 0.00 176.54 178.48 3bss h LEU 17 N 1.03 0.28 -0.21 3.11 3.38 -0.99 -0.53 115.31 121.39 3bss h LEU 17 Ca 0.35 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 58.14 3bss h LEU 17 Cb 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3bss h LEU 17 CO -0.12 0.20 -0.91 -0.37 0.09 0.00 0.00 178.44 177.33 3bss h VAL 18 N 0.42 1.41 -0.85 1.22 -1.51 -1.36 -2.70 116.25 112.88 3bss h VAL 18 Ca 0.21 -2.43 -0.02 0.00 -1.23 0.00 0.00 66.70 63.23 3bss h VAL 18 Cb 0.15 2.39 -0.04 0.00 -2.13 0.00 0.00 31.29 31.66 3bss h VAL 18 CO -0.17 0.72 0.44 0.00 -1.23 0.00 0.00 177.57 177.33 3bss h GLU 20 N 1.20 0.49 -0.92 0.00 4.81 -1.06 0.26 114.58 119.35 3bss h GLU 20 Ca 0.30 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 3bss h GLU 20 Cb 0.07 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.27 3bss h GLU 20 CO -0.04 0.32 0.58 -0.44 -0.73 0.00 0.00 179.01 178.70 3bss h ASP 21 N 0.50 0.92 -0.38 1.04 3.32 -1.13 0.37 116.42 121.06 3bss h ASP 21 Ca 0.14 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3bss h ASP 21 Cb -0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3bss h ASP 21 CO -0.03 0.58 -0.17 0.58 -1.72 0.00 0.00 179.24 178.48 3bss h VAL 22 N 1.05 1.28 -0.66 -1.35 2.07 -1.02 -0.76 116.25 116.86 3bss h VAL 22 Ca 0.40 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3bss h VAL 22 Cb 0.19 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3bss h VAL 22 CO -0.18 0.43 0.43 0.00 0.02 0.00 0.00 177.57 178.27 3bss h ALA 23 N 0.81 0.84 -0.72 1.67 0.00 -0.61 -0.64 119.26 120.62 3bss h ALA 23 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3bss h ALA 23 Cb 0.71 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3bss h ALA 23 CO 0.05 0.28 0.19 0.87 0.00 0.00 0.00 179.25 180.64 3bss h LYS 24 N 0.90 1.15 -0.65 0.00 1.79 -0.87 -1.83 116.57 117.06 3bss h LYS 24 Ca 0.24 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3bss h LYS 24 Cb -0.09 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.38 3bss h LYS 24 CO -0.05 1.00 0.42 -0.97 -1.08 0.00 0.00 179.45 178.77 3bss h ASN 25 N 1.09 0.76 1.09 0.86 -0.73 -0.63 -2.08 115.58 115.94 3bss h ASN 25 Ca 0.23 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.37 3bss h ASN 25 Cb 0.36 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.76 3bss h ASN 25 CO 0.00 0.56 0.00 0.24 -0.37 0.00 0.00 177.43 177.87 3bss h MET 26 N 0.89 0.00 0.00 6.67 2.86 -0.86 -3.46 114.93 121.03 3bss h MET 26 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3bss h MET 26 Cb -0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3bss h MET 26 CO -0.05 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.33 3bss n GLY 27 N 0.33 0.83 3.72 8.32 0.00 -0.78 -5.09 105.19 112.51 3bss n GLY 27 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3bss n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bss n TYR 28 N -0.73 2.39 -0.01 1.61 4.01 -0.72 -4.93 117.16 118.78 3bss n TYR 28 Ca 0.00 0.51 -0.01 0.00 -0.16 0.00 0.00 57.90 58.24 3bss n TYR 28 Cb 0.00 -2.43 -0.12 0.00 -0.31 0.00 0.00 39.34 36.48 3bss n TYR 28 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3bss n LYS 29 N 0.33 0.65 -3.73 -0.72 2.85 0.16 -4.49 118.16 113.20 3bss n LYS 29 Ca 0.05 0.08 -0.12 0.00 -1.05 0.00 0.00 58.31 57.27 3bss n LYS 29 Cb 0.38 -1.68 -0.12 0.00 -0.65 0.00 0.00 35.03 32.97 3bss n LYS 29 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3bss s GLU 30 N -2.92 0.31 -0.14 -1.58 2.12 -1.14 -5.03 118.70 110.31 3bss s GLU 30 Ca -0.06 0.57 -0.02 0.00 0.36 0.00 0.00 54.97 55.82 3bss s GLU 30 Cb 0.09 0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 3bss s GLU 30 CO 0.84 -0.12 -0.07 0.00 -0.54 0.00 0.00 175.26 175.36 3bss s ILE 32 N 0.29 2.82 0.17 0.00 1.01 0.80 -4.96 121.20 121.33 3bss s ILE 32 Ca -0.06 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 3bss s ILE 32 Cb -0.15 -2.44 -0.07 0.00 0.01 0.00 0.00 42.46 39.81 3bss s ILE 32 CO 0.04 0.19 1.01 -0.36 0.00 0.00 0.00 174.94 175.82 3bss s PHE 33 N 1.31 3.76 0.07 3.97 0.08 -1.26 -0.86 117.98 125.05 3bss s PHE 33 Ca -0.00 1.75 0.09 0.00 0.12 0.00 0.00 56.93 58.88 3bss s PHE 33 Cb -0.17 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.12 3bss s PHE 33 CO -0.05 -0.07 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.26 3bss s LEU 34 N -0.41 2.22 -0.28 -0.37 1.43 -0.07 -4.41 118.68 116.78 3bss s LEU 34 Ca 0.47 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 3bss s LEU 34 Cb -0.26 -1.11 0.11 0.00 0.03 0.00 0.00 46.19 44.96 3bss s LEU 34 CO 0.32 0.18 0.93 -0.62 0.23 0.00 0.00 176.35 177.39 3bss s ASP 35 N -1.51 -0.55 0.39 2.29 -1.08 -0.61 -0.23 116.67 115.37 3bss s ASP 35 Ca 0.10 1.05 0.28 0.00 -0.52 0.00 0.00 52.55 53.46 3bss s ASP 35 Cb -0.10 1.08 0.98 0.00 -1.46 0.00 0.00 42.92 43.42 3bss s ASP 35 CO 0.03 -0.18 1.80 0.44 0.52 0.00 0.00 175.17 177.78 3bss h ASP 36 N 4.56 0.00 0.00 -0.34 3.32 -1.93 -3.36 116.42 118.66 3bss h ASP 36 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3bss h ASP 36 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3bss h ASP 36 CO 0.09 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.10 3bss n PHE 37 N -2.71 0.00 -3.56 4.55 3.72 -1.26 -5.04 117.46 113.16 3bss n PHE 37 Ca 0.02 -0.20 -0.08 0.00 -0.05 0.00 0.00 57.45 57.14 3bss n PHE 37 Cb 0.34 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.83 3bss n PHE 37 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 3bss s LYS 38 N -0.40 0.60 3.45 -1.08 -2.85 -1.26 -5.16 119.74 113.05 3bss s LYS 38 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 3bss s LYS 38 Cb 0.00 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 3bss s LYS 38 CO 0.00 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.63 3bss n GLY 39 N 0.27 0.99 3.76 0.59 0.00 -1.26 -4.14 105.19 105.41 3bss n GLY 39 Ca -0.08 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 3bss n GLY 39 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3bss s MET 40 N 0.00 4.31 0.21 1.61 -2.45 -1.26 -4.82 119.30 116.90 3bss s MET 40 Ca 0.00 2.26 -0.02 0.00 -1.25 0.00 0.00 55.69 56.68 3bss s MET 40 Cb 0.00 -3.08 -0.05 0.00 1.25 0.00 0.00 34.83 32.96 3bss s MET 40 CO 0.00 -0.28 0.41 0.15 1.05 0.00 0.00 175.02 176.36 3bss s LYS 41 N -1.42 3.55 0.31 4.11 1.02 -1.26 -1.57 119.74 124.48 3bss s LYS 41 Ca 0.52 -0.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.97 3bss s LYS 41 Cb -0.41 -2.81 -0.10 0.00 -0.52 0.00 0.00 37.83 33.99 3bss s LYS 41 CO 0.51 0.38 1.31 0.12 -0.92 0.00 0.00 175.35 176.75 3bss s PHE 42 N -1.87 3.09 -0.00 3.18 5.36 -1.26 -4.87 117.98 121.59 3bss s PHE 42 Ca 0.40 1.36 0.01 0.00 -0.96 0.00 0.00 56.93 57.74 3bss s PHE 42 Cb -0.11 -3.67 -0.00 0.00 -0.34 0.00 0.00 43.02 38.89 3bss s PHE 42 CO 0.29 -1.91 -0.04 -1.21 -1.46 0.00 0.00 175.22 170.89 3bss s GLU 43 N -1.44 0.34 0.41 10.12 0.41 -1.26 -5.02 118.70 122.27 3bss s GLU 43 Ca 0.51 -0.16 0.21 0.00 -0.41 0.00 0.00 54.97 55.11 3bss s GLU 43 Cb -0.39 -0.33 1.12 0.00 -1.78 0.00 0.00 34.13 32.75 3bss s GLU 43 CO 0.50 0.09 1.58 0.66 -0.49 0.00 0.00 175.26 177.60 3bss h SER 44 N 6.02 0.00 -0.01 -0.19 4.64 -1.98 -1.89 113.55 120.14 3bss h SER 44 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3bss h SER 44 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3bss h SER 44 CO 0.50 0.00 -0.13 1.07 -0.87 0.00 0.00 176.83 177.40 3bss n THR 45 N -2.33 0.00 -1.84 2.95 5.66 -1.26 -4.98 114.28 112.49 3bss n THR 45 Ca -0.01 -0.40 -0.37 0.00 -3.05 0.00 0.00 64.05 60.22 3bss n THR 45 Cb 0.23 1.29 0.05 0.00 -1.55 0.00 0.00 70.33 70.35 3bss n THR 45 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3bss s LEU 46 N -2.14 3.68 0.59 1.09 1.43 -0.71 -4.97 118.68 117.64 3bss s LEU 46 Ca 0.26 2.59 -0.20 0.00 -1.03 0.00 0.00 54.13 55.76 3bss s LEU 46 Cb 0.20 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 3bss s LEU 46 CO 0.38 -1.76 1.27 -0.81 0.23 0.00 0.00 176.35 175.66 3bss n PRO 47 N -1.56 1.34 -1.98 1.29 -0.04 -1.26 -4.85 135.00 127.94 3bss n PRO 47 Ca 0.14 0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 63.70 3bss n PRO 47 Cb 0.48 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 3bss n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3bss n LYS 48 N -1.32 2.52 -2.68 0.54 4.76 -1.26 -4.93 118.16 115.78 3bss n LYS 48 Ca 0.13 -2.68 -0.26 0.00 -2.87 0.00 0.00 58.31 52.63 3bss n LYS 48 Cb 0.46 -3.38 0.02 0.00 -1.84 0.00 0.00 35.03 30.29 3bss n LYS 48 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3bss s TYR 49 N 5.24 3.33 0.39 2.13 2.02 -1.26 -5.01 117.35 124.20 3bss s TYR 49 Ca 0.55 0.55 -0.26 0.00 -0.37 0.00 0.00 57.07 57.54 3bss s TYR 49 Cb 0.08 -2.46 -0.11 0.00 -0.40 0.00 0.00 41.96 39.07 3bss s TYR 49 CO 0.04 -0.50 1.13 -0.25 -1.57 0.00 0.00 175.55 174.40 3bss n ASP 50 N -2.31 1.88 -4.56 2.29 8.00 -1.24 -4.59 116.55 116.02 3bss n ASP 50 Ca 0.02 1.10 -0.27 0.00 0.71 0.00 0.00 54.79 56.35 3bss n ASP 50 Cb 0.57 -1.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.16 3bss n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3bss s PHE 51 N -1.20 2.64 -0.03 1.24 0.40 0.09 -0.63 117.98 120.48 3bss s PHE 51 Ca 0.61 -0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.68 3bss s PHE 51 Cb -0.56 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 41.66 3bss s PHE 51 CO 0.58 0.49 0.11 0.12 0.70 0.00 0.00 175.22 177.22 3bss s PHE 52 N -1.58 -0.07 -0.50 0.36 5.36 0.40 -1.48 117.98 120.46 3bss s PHE 52 Ca 0.24 0.18 -0.16 0.00 -0.96 0.00 0.00 56.93 56.23 3bss s PHE 52 Cb -0.09 0.01 0.09 0.00 -0.34 0.00 0.00 43.02 42.69 3bss s PHE 52 CO 0.14 -0.10 0.48 0.42 -1.46 0.00 0.00 175.22 174.70 3bss s ILE 53 N -0.26 5.14 -1.10 3.12 -1.09 -1.26 -0.43 121.20 125.31 3bss s ILE 53 Ca -0.03 -1.07 -0.02 0.00 -2.23 0.00 0.00 60.65 57.30 3bss s ILE 53 Cb -0.02 -4.23 0.26 0.00 -1.58 0.00 0.00 42.46 36.88 3bss s ILE 53 CO 0.00 -0.73 2.00 0.00 -1.23 0.00 0.00 174.94 174.98 3bss n ALA 54 N 5.46 6.30 -3.84 9.38 0.00 0.18 -4.92 120.51 133.07 3bss n ALA 54 Ca -0.12 -4.44 -0.29 0.00 0.00 0.00 0.00 53.44 48.60 3bss n ALA 54 Cb 0.43 -2.34 -0.17 0.00 0.00 0.00 0.00 19.45 17.37 3bss n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3bss s ILE 55 N -3.46 1.44 0.17 0.00 1.01 -1.26 -3.75 121.20 115.35 3bss s ILE 55 Ca 0.44 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 3bss s ILE 55 Cb 0.20 -1.35 0.04 0.00 0.01 0.00 0.00 42.46 41.36 3bss s ILE 55 CO -0.13 0.43 1.62 1.23 0.00 0.00 0.00 174.94 178.09 3bss h GLY 56 N 7.78 1.07 -5.29 6.18 0.00 -1.97 -3.41 103.07 107.43 3bss h GLY 56 Ca -0.34 -0.80 -0.54 0.00 0.00 0.00 0.00 47.33 45.65 3bss h GLY 56 CO 0.49 0.73 1.17 -2.01 0.00 0.00 0.00 176.54 176.92 3bss n ASN 57 N -4.24 4.02 -0.27 0.19 2.85 -1.26 -4.89 115.26 111.66 3bss n ASN 57 Ca 0.02 0.94 -0.06 0.00 -0.11 0.00 0.00 54.58 55.37 3bss n ASN 57 Cb 0.34 -1.51 0.06 0.00 1.24 0.00 0.00 39.78 39.91 3bss n ASN 57 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 3bss h ASN 58 N 9.63 1.03 -0.41 1.20 2.35 -1.85 -0.12 115.58 127.42 3bss h ASN 58 Ca -0.48 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.03 3bss h ASN 58 Cb 1.24 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 3bss h ASN 58 CO 0.94 0.91 -0.02 -0.08 -1.65 0.00 0.00 177.43 177.54 3bss h GLU 59 N 1.08 0.73 -0.08 0.81 4.81 -1.90 -1.80 114.58 118.24 3bss h GLU 59 Ca 0.25 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 3bss h GLU 59 Cb 0.19 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.52 3bss h GLU 59 CO -0.02 0.82 -0.57 0.82 -0.73 0.00 0.00 179.01 179.33 3bss h ILE 60 N 0.56 1.37 -0.69 2.32 2.04 -1.92 -2.40 117.51 118.79 3bss h ILE 60 Ca 0.11 -1.91 0.08 0.00 1.00 0.00 0.00 64.86 64.15 3bss h ILE 60 Cb 0.50 2.28 -0.07 0.00 -0.74 0.00 0.00 36.82 38.79 3bss h ILE 60 CO 0.02 0.57 0.34 -0.09 0.00 0.00 0.00 178.15 179.00 3bss h ARG 61 N 0.11 0.58 -0.00 2.37 2.43 -1.01 -0.78 114.38 118.08 3bss h ARG 61 Ca -0.05 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3bss h ARG 61 Cb 1.23 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3bss h ARG 61 CO 0.12 0.38 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.72 3bss h LYS 62 N 0.60 -0.04 -0.48 0.20 3.64 -1.28 0.13 116.57 119.33 3bss h LYS 62 Ca 0.33 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 3bss h LYS 62 Cb 0.32 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3bss h LYS 62 CO -0.25 -0.03 0.21 0.87 -2.27 0.00 0.00 179.45 177.98 3bss h LYS 63 N -0.04 0.40 -0.36 1.90 1.57 -1.04 -0.36 116.57 118.64 3bss h LYS 63 Ca 0.01 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 3bss h LYS 63 Cb 0.06 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3bss h LYS 63 CO -0.03 0.27 -0.42 0.82 -0.57 0.00 0.00 179.45 179.51 3bss h ILE 64 N 0.41 1.27 -0.35 1.86 1.08 -1.07 -2.41 117.51 118.31 3bss h ILE 64 Ca 0.22 -1.60 0.07 0.00 -0.39 0.00 0.00 64.86 63.16 3bss h ILE 64 Cb 0.17 1.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.31 3bss h ILE 64 CO -0.19 0.53 -0.06 0.22 -0.69 0.00 0.00 178.15 177.97 3bss h TYR 65 N 0.74 -0.13 -0.50 1.37 3.20 -0.30 -1.10 116.97 120.26 3bss h TYR 65 Ca 0.05 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3bss h TYR 65 Cb 1.02 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 3bss h TYR 65 CO 0.07 -0.12 0.32 1.96 -1.64 0.00 0.00 178.16 178.74 3bss h GLN 66 N 0.03 0.62 -0.59 1.82 4.20 -0.94 -0.64 115.11 119.60 3bss h GLN 66 Ca 0.17 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3bss h GLN 66 Cb 0.25 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 3bss h GLN 66 CO -0.33 0.41 0.37 -0.22 -0.67 0.00 0.00 178.83 178.39 3bss h LYS 67 N 0.64 0.71 -0.33 1.46 3.64 -1.13 -0.72 116.57 120.85 3bss h LYS 67 Ca 0.19 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3bss h LYS 67 Cb -0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3bss h LYS 67 CO -0.06 0.47 -0.07 0.82 -2.27 0.00 0.00 179.45 178.34 3bss h ILE 68 N 0.73 1.28 -0.20 2.00 1.08 -0.84 -2.56 117.51 118.99 3bss h ILE 68 Ca 0.23 -1.11 0.02 0.00 -0.39 0.00 0.00 64.86 63.62 3bss h ILE 68 Cb 0.00 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 3bss h ILE 68 CO -0.09 0.36 0.05 0.28 -0.69 0.00 0.00 178.15 178.06 3bss h SER 69 N 0.41 0.03 0.10 1.72 0.02 -0.98 -2.66 113.55 112.20 3bss h SER 69 Ca 0.08 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3bss h SER 69 Cb 0.56 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 3bss h SER 69 CO 0.03 0.05 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.41 3bss h GLU 70 N 0.13 0.00 -0.25 3.45 5.08 -1.06 -0.28 114.58 121.65 3bss h GLU 70 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bss h GLU 70 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3bss h GLU 70 CO -0.11 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.01 3bss n ASN 71 N -3.66 1.52 -0.02 1.42 4.13 -0.97 -4.92 115.26 112.75 3bss n ASN 71 Ca -0.03 -1.91 -0.00 0.00 1.68 0.00 0.00 54.58 54.32 3bss n ASN 71 Cb 0.12 -0.17 -0.00 0.00 -1.54 0.00 0.00 39.78 38.19 3bss n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bss n GLY 72 N 1.00 0.46 3.86 7.41 0.00 -0.11 -5.04 105.19 112.77 3bss n GLY 72 Ca 0.11 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3bss n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bss s PHE 73 N -1.99 3.42 -0.25 1.61 0.08 -1.08 -5.05 117.98 114.71 3bss s PHE 73 Ca 0.00 1.10 -0.19 0.00 0.12 0.00 0.00 56.93 57.96 3bss s PHE 73 Cb 0.00 -2.46 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 3bss s PHE 73 CO 0.00 0.03 0.56 0.21 -0.10 0.00 0.00 175.22 175.93 3bss s LYS 74 N -3.33 4.09 -0.52 0.44 2.20 -1.26 -4.49 119.74 116.87 3bss s LYS 74 Ca 0.52 0.42 -0.17 0.00 -0.36 0.00 0.00 55.97 56.38 3bss s LYS 74 Cb -0.10 -3.65 0.08 0.00 -1.51 0.00 0.00 37.83 32.66 3bss s LYS 74 CO 0.24 -0.36 0.54 0.42 -0.36 0.00 0.00 175.35 175.82 3bss s ILE 75 N 2.35 5.05 0.84 5.43 1.01 -1.26 -0.73 121.20 133.88 3bss s ILE 75 Ca 0.23 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 3bss s ILE 75 Cb -0.16 -4.29 0.10 0.00 0.01 0.00 0.00 42.46 38.13 3bss s ILE 75 CO 0.09 -0.80 1.13 0.68 0.00 0.00 0.00 174.94 176.04 3bss s VAL 76 N 2.12 2.40 0.04 2.92 -7.23 -0.55 -2.24 120.40 117.88 3bss s VAL 76 Ca 0.08 0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.21 3bss s VAL 76 Cb -0.24 -2.96 -0.06 0.00 0.56 0.00 0.00 36.38 33.68 3bss s VAL 76 CO 0.07 -0.17 0.51 0.20 -0.31 0.00 0.00 175.10 175.40 3bss s ASN 77 N -4.16 6.97 -0.30 4.85 0.01 -1.26 -2.25 114.94 118.80 3bss s ASN 77 Ca 0.62 1.15 -0.06 0.00 -0.71 0.00 0.00 52.86 53.86 3bss s ASN 77 Cb -0.13 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.23 3bss s ASN 77 CO 0.52 0.29 0.06 -0.76 -1.51 0.00 0.00 177.10 175.71 3bss s LEU 78 N -1.07 3.86 -0.19 0.60 1.43 0.13 -4.92 118.68 118.53 3bss s LEU 78 Ca 0.27 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3bss s LEU 78 Cb -0.18 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.23 3bss s LEU 78 CO 0.17 -0.21 -0.08 -0.63 0.23 0.00 0.00 176.35 175.83 3bss s ILE 79 N 1.45 1.40 0.43 -0.59 1.01 -1.26 -0.45 121.20 123.19 3bss s ILE 79 Ca 0.01 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.54 3bss s ILE 79 Cb -0.18 -1.54 -0.08 0.00 0.01 0.00 0.00 42.46 40.67 3bss s ILE 79 CO 0.02 0.12 1.33 -2.28 0.00 0.00 0.00 174.94 174.13 3bss s HIS 80 N 1.50 2.70 0.55 3.97 5.65 -0.23 -4.80 115.29 124.64 3bss s HIS 80 Ca -0.01 1.38 0.35 0.00 0.25 0.00 0.00 55.06 57.02 3bss s HIS 80 Cb -0.16 -3.72 1.93 0.00 -1.18 0.00 0.00 32.58 29.45 3bss s HIS 80 CO -0.08 -2.32 2.25 0.87 -0.65 0.00 0.00 174.74 174.81 3bss h LYS 81 N 2.48 0.00 -0.00 2.88 1.57 -1.91 -2.14 116.57 119.45 3bss h LYS 81 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3bss h LYS 81 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3bss h LYS 81 CO 0.62 0.02 -0.08 -1.13 -0.57 0.00 0.00 179.45 178.31 3bss n SER 82 N -3.51 0.09 -4.76 0.86 3.41 -1.26 -4.84 113.62 103.62 3bss n SER 82 Ca -0.03 0.31 -0.41 0.00 -0.26 0.00 0.00 58.87 58.48 3bss n SER 82 Cb 0.12 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.69 3bss n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bss s ALA 83 N -2.96 3.58 -0.27 7.33 0.00 -0.81 -4.01 121.76 124.62 3bss s ALA 83 Ca 0.15 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.38 3bss s ALA 83 Cb 0.19 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3bss s ALA 83 CO 0.55 -0.73 0.03 -0.51 0.00 0.00 0.00 175.76 175.09 3bss s LEU 84 N -0.97 3.51 -0.18 0.00 1.43 0.17 -4.96 118.68 117.69 3bss s LEU 84 Ca 0.55 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3bss s LEU 84 Cb -0.41 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.02 3bss s LEU 84 CO 0.48 -0.13 -0.15 -0.63 0.23 0.00 0.00 176.35 176.15 3bss s ILE 85 N 1.47 1.76 0.39 -0.59 1.01 -1.26 -0.40 121.20 123.59 3bss s ILE 85 Ca 0.03 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 3bss s ILE 85 Cb -0.16 -1.69 -0.11 0.00 0.01 0.00 0.00 42.46 40.51 3bss s ILE 85 CO 0.00 0.39 1.07 -0.24 0.00 0.00 0.00 174.94 176.16 3bss n SER 86 N 4.69 1.59 0.31 3.58 2.88 0.34 -4.88 113.62 122.13 3bss n SER 86 Ca -0.17 1.08 0.18 0.00 -1.33 0.00 0.00 58.87 58.63 3bss n SER 86 Cb 0.49 -1.38 1.02 0.00 -0.75 0.00 0.00 64.21 63.59 3bss n SER 86 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3bss h PRO 87 N 1.77 0.00 -0.02 -1.46 0.13 -1.95 -1.50 132.00 128.97 3bss h PRO 87 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3bss h PRO 87 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3bss h PRO 87 CO 0.58 0.02 -0.16 -1.13 -0.23 0.00 0.00 178.00 177.08 3bss n SER 88 N -3.44 1.87 -4.78 1.44 3.41 -1.26 -4.92 113.62 105.94 3bss n SER 88 Ca -0.03 -1.48 -0.35 0.00 -0.26 0.00 0.00 58.87 56.75 3bss n SER 88 Cb 0.11 0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 3bss n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bss s ALA 89 N -2.22 2.75 -0.20 7.33 0.00 -0.57 -3.13 121.76 125.72 3bss s ALA 89 Ca 0.28 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3bss s ALA 89 Cb 0.20 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 20.00 3bss s ALA 89 CO 0.42 -0.66 -0.16 0.42 0.00 0.00 0.00 175.76 175.78 3bss s ILE 90 N -1.81 2.34 -0.26 0.00 1.01 0.49 -4.93 121.20 118.04 3bss s ILE 90 Ca 0.71 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 3bss s ILE 90 Cb -0.22 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.24 3bss s ILE 90 CO 0.26 0.47 -0.04 -0.69 0.00 0.00 0.00 174.94 174.93 3bss s VAL 91 N 1.31 2.91 -0.07 2.92 1.01 -1.26 -0.21 120.40 127.01 3bss s VAL 91 Ca 0.04 -1.14 -0.38 0.00 0.00 0.00 0.00 61.98 60.51 3bss s VAL 91 Cb -0.14 -2.54 -0.16 0.00 0.00 0.00 0.00 36.38 33.54 3bss s VAL 91 CO -0.10 0.10 1.54 1.21 0.00 0.00 0.00 175.10 177.85 3bss n GLU 92 N 4.65 1.24 -2.43 2.72 4.07 -0.80 -4.90 120.64 125.19 3bss n GLU 92 Ca -0.15 0.45 -0.37 0.00 -0.06 0.00 0.00 57.16 57.02 3bss n GLU 92 Cb 0.46 -2.12 -0.03 0.00 -0.06 0.00 0.00 31.44 29.68 3bss n GLU 92 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3bss s GLU 93 N 1.91 4.12 -1.28 5.31 2.02 -1.26 -4.00 118.70 125.53 3bss s GLU 93 Ca 0.90 1.66 -0.29 0.00 0.02 0.00 0.00 54.97 57.26 3bss s GLU 93 Cb -0.98 -2.62 0.04 0.00 0.10 0.00 0.00 34.13 30.67 3bss s GLU 93 CO 0.54 -0.21 0.57 0.09 0.02 0.00 0.00 175.26 176.27 3bss n ASN 94 N 0.03 -3.24 -0.86 -0.19 3.02 -1.26 -4.87 115.26 107.88 3bss n ASN 94 Ca 0.05 -1.31 0.04 0.00 -0.03 0.00 0.00 54.58 53.33 3bss n ASN 94 Cb 0.48 -1.62 0.07 0.00 -0.61 0.00 0.00 39.78 38.10 3bss n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bss n ALA 95 N -5.01 2.50 -3.13 5.41 0.00 -0.95 -4.57 120.51 114.76 3bss n ALA 95 Ca -0.15 -2.20 -0.23 0.00 0.00 0.00 0.00 53.44 50.87 3bss n ALA 95 Cb 0.58 -0.55 0.02 0.00 0.00 0.00 0.00 19.45 19.51 3bss n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bss n GLY 96 N -0.20 -0.51 3.73 0.00 0.00 -0.95 0.10 105.19 107.34 3bss n GLY 96 Ca 0.08 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3bss n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bss s ILE 97 N -3.10 5.06 -0.23 -0.61 1.01 -1.25 -3.96 121.20 118.12 3bss s ILE 97 Ca 0.34 1.28 -0.10 0.00 0.00 0.00 0.00 60.65 62.17 3bss s ILE 97 Cb -0.16 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 3bss s ILE 97 CO 0.42 0.30 0.15 -0.22 0.00 0.00 0.00 174.94 175.58 3bss s LEU 98 N 0.59 4.10 -0.24 2.97 2.96 -0.45 -0.70 118.68 127.92 3bss s LEU 98 Ca 0.33 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 3bss s LEU 98 Cb -0.17 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.48 3bss s LEU 98 CO 0.16 0.08 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.55 3bss s ILE 99 N 0.94 1.85 0.83 6.68 1.01 0.41 -0.34 121.20 132.58 3bss s ILE 99 Ca 0.07 -1.35 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 3bss s ILE 99 Cb -0.13 -1.99 0.13 0.00 0.01 0.00 0.00 42.46 40.48 3bss s ILE 99 CO 0.03 0.01 1.17 -0.04 0.00 0.00 0.00 174.94 176.12 3bss s MET 100 N 1.26 1.46 0.38 2.79 -1.94 -0.27 -1.06 119.30 121.93 3bss s MET 100 Ca -0.06 -0.33 -0.26 0.00 -1.71 0.00 0.00 55.69 53.32 3bss s MET 100 Cb -0.19 -2.01 -0.11 0.00 2.01 0.00 0.00 34.83 34.53 3bss s MET 100 CO -0.06 -1.81 1.21 -2.30 -0.01 0.00 0.00 175.02 172.04 3bss n PRO 101 N -3.34 1.85 -1.92 2.03 -0.02 -1.26 -3.12 135.00 129.22 3bss n PRO 101 Ca 0.12 0.66 -0.21 0.00 -2.02 0.00 0.00 63.50 62.05 3bss n PRO 101 Cb 0.60 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 3bss n PRO 101 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bss n TYR 102 N -0.02 -0.42 -2.39 6.00 4.01 -1.26 -0.86 117.16 122.22 3bss n TYR 102 Ca 0.07 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.41 3bss n TYR 102 Cb 0.38 -3.65 -0.03 0.00 -0.31 0.00 0.00 39.34 35.72 3bss n TYR 102 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3bss s VAL 103 N -2.86 3.32 -0.08 -0.72 1.01 -1.18 -4.16 120.40 115.72 3bss s VAL 103 Ca 0.00 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.27 3bss s VAL 103 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3bss s VAL 103 CO 0.00 0.24 -0.23 -0.69 0.00 0.00 0.00 175.10 174.42 3bss s VAL 104 N -1.26 2.21 -0.20 2.92 1.01 -1.01 -0.65 120.40 123.42 3bss s VAL 104 Ca 0.49 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3bss s VAL 104 Cb -0.32 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.27 3bss s VAL 104 CO 0.41 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 175.36 3bss s ILE 105 N 0.10 1.50 0.70 2.22 1.01 0.47 -0.53 121.20 126.66 3bss s ILE 105 Ca -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 3bss s ILE 105 Cb -0.16 -1.64 0.14 0.00 0.01 0.00 0.00 42.46 40.82 3bss s ILE 105 CO 0.06 0.11 0.96 0.59 0.00 0.00 0.00 174.94 176.65 3bss n ASN 106 N 4.72 1.21 -4.61 3.58 3.02 -0.36 -0.50 115.26 122.32 3bss n ASN 106 Ca -0.14 -2.04 -0.53 0.00 -0.03 0.00 0.00 54.58 51.84 3bss n ASN 106 Cb 0.46 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 3bss n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bss n ALA 107 N -2.96 -0.98 -0.89 5.41 0.00 -1.26 -2.13 120.51 117.70 3bss n ALA 107 Ca -0.16 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3bss n ALA 107 Cb 0.55 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3bss n ALA 107 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3bss n LYS 108 N 2.97 -0.90 -2.03 0.00 5.02 -1.18 -0.21 118.16 121.83 3bss n LYS 108 Ca 0.20 0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 56.35 3bss n LYS 108 Cb 0.17 -4.17 0.02 0.00 -0.02 0.00 0.00 35.03 31.03 3bss n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bss s ALA 109 N -1.55 2.73 -0.11 7.82 0.00 -0.91 -4.06 121.76 125.69 3bss s ALA 109 Ca 0.00 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.05 3bss s ALA 109 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3bss s ALA 109 CO 0.00 -1.07 -0.20 0.21 0.00 0.00 0.00 175.76 174.70 3bss s LYS 110 N -3.06 2.64 -0.25 0.00 2.47 0.57 -0.38 119.74 121.73 3bss s LYS 110 Ca 0.72 -0.73 -0.03 0.00 -1.56 0.00 0.00 55.97 54.37 3bss s LYS 110 Cb -0.32 -2.09 0.01 0.00 -1.46 0.00 0.00 37.83 33.97 3bss s LYS 110 CO 0.37 0.06 -0.03 0.42 0.16 0.00 0.00 175.35 176.33 3bss s ILE 111 N 0.65 3.26 0.74 5.43 -1.09 0.70 -0.89 121.20 130.00 3bss s ILE 111 Ca -0.13 -0.78 -0.06 0.00 -2.23 0.00 0.00 60.65 57.45 3bss s ILE 111 Cb -0.16 -2.60 0.10 0.00 -1.58 0.00 0.00 42.46 38.21 3bss s ILE 111 CO 0.03 0.25 1.05 -1.61 -1.23 0.00 0.00 174.94 173.43 3bss s GLU 112 N 1.41 1.84 0.62 2.79 2.02 -0.72 -1.90 118.70 124.75 3bss s GLU 112 Ca 0.03 -0.50 -0.19 0.00 0.02 0.00 0.00 54.97 54.33 3bss s GLU 112 Cb -0.16 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 3bss s GLU 112 CO -0.03 -1.45 1.29 -1.59 0.02 0.00 0.00 175.26 173.50 3bss s LYS 113 N -5.30 2.76 0.00 1.61 0.00 -1.26 -3.38 119.74 114.17 3bss s LYS 113 Ca 0.64 2.04 0.00 0.00 0.00 0.00 0.00 55.97 58.65 3bss s LYS 113 Cb -0.08 -1.94 0.00 0.00 0.00 0.00 0.00 37.83 35.80 3bss s LYS 113 CO 0.46 -1.43 0.00 0.41 0.00 0.00 0.00 175.35 174.79 3bss n GLY 114 N 0.78 0.30 3.78 0.59 0.00 0.11 -0.43 105.19 110.32 3bss n GLY 114 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3bss n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bss s VAL 115 N -1.64 3.37 -0.20 1.61 1.01 -1.22 -3.91 120.40 119.43 3bss s VAL 115 Ca 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 3bss s VAL 115 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3bss s VAL 115 CO 0.00 -0.03 -0.04 -0.63 0.00 0.00 0.00 175.10 174.40 3bss s ILE 116 N -1.63 3.56 -0.42 2.22 1.01 -0.23 -1.34 121.20 124.37 3bss s ILE 116 Ca 0.63 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 3bss s ILE 116 Cb -0.25 -2.60 0.09 0.00 0.01 0.00 0.00 42.46 39.71 3bss s ILE 116 CO 0.31 0.44 0.26 -0.76 0.00 0.00 0.00 174.94 175.18 3bss s LEU 117 N 1.10 5.25 0.89 2.97 1.43 0.54 -0.56 118.68 130.30 3bss s LEU 117 Ca 0.01 -1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 51.29 3bss s LEU 117 Cb -0.15 -1.94 0.19 0.00 0.03 0.00 0.00 46.19 44.32 3bss s LEU 117 CO 0.00 -0.57 1.23 0.21 0.23 0.00 0.00 176.35 177.45 3bss s ASN 118 N 2.16 3.41 -0.11 2.29 3.84 0.60 -1.11 114.94 126.03 3bss s ASN 118 Ca 0.04 -0.01 -0.38 0.00 0.21 0.00 0.00 52.86 52.72 3bss s ASN 118 Cb -0.24 -0.10 -0.16 0.00 -0.55 0.00 0.00 41.25 40.20 3bss s ASN 118 CO -0.00 -2.51 1.56 0.41 -2.79 0.00 0.00 177.10 173.76 3bss n THR 119 N -3.49 0.17 -1.52 -5.21 -1.04 -1.26 -1.63 114.28 100.29 3bss n THR 119 Ca 0.16 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.05 61.96 3bss n THR 119 Cb 0.60 -1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.99 3bss n THR 119 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3bss n SER 120 N 4.04 -5.28 -4.78 8.00 7.64 -0.04 -1.21 113.62 121.99 3bss n SER 120 Ca 0.23 0.44 -0.31 0.00 1.01 0.00 0.00 58.87 60.24 3bss n SER 120 Cb 0.16 -4.36 0.09 0.00 -1.01 0.00 0.00 64.21 59.09 3bss n SER 120 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3bss s SER 121 N -2.77 4.60 -0.05 6.43 1.04 -0.64 -4.11 113.70 118.20 3bss s SER 121 Ca 0.00 1.63 0.02 0.00 0.48 0.00 0.00 55.95 58.07 3bss s SER 121 Cb 0.00 -2.38 0.02 0.00 0.10 0.00 0.00 66.02 63.76 3bss s SER 121 CO 0.00 -1.94 -0.09 -0.69 0.98 0.00 0.00 173.24 171.50 3bss s VAL 122 N -2.99 0.86 -0.34 5.02 1.01 -0.96 -2.41 120.40 120.59 3bss s VAL 122 Ca 0.60 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3bss s VAL 122 Cb -0.16 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.47 3bss s VAL 122 CO 0.56 0.29 0.07 -0.63 0.00 0.00 0.00 175.10 175.39 3bss s ILE 123 N 0.74 3.15 1.05 2.22 -1.09 0.31 -1.14 121.20 126.44 3bss s ILE 123 Ca -0.13 -1.57 -0.15 0.00 -2.23 0.00 0.00 60.65 56.57 3bss s ILE 123 Cb -0.15 -2.92 0.21 0.00 -1.58 0.00 0.00 42.46 38.02 3bss s ILE 123 CO 0.02 -0.29 1.15 -1.61 -1.23 0.00 0.00 174.94 172.97 3bss s GLU 124 N 1.23 0.04 0.31 2.79 0.41 -0.68 -1.23 118.70 121.57 3bss s GLU 124 Ca -0.01 0.09 -0.28 0.00 -0.41 0.00 0.00 54.97 54.37 3bss s GLU 124 Cb -0.21 -1.73 -0.13 0.00 -1.78 0.00 0.00 34.13 30.28 3bss s GLU 124 CO -0.02 -2.90 1.04 -2.39 -0.49 0.00 0.00 175.26 170.50 3bss n HIS 125 N -4.22 1.39 -0.92 1.61 1.44 -1.26 -2.71 115.22 110.55 3bss n HIS 125 Ca 0.10 0.66 0.00 0.00 -2.01 0.00 0.00 57.72 56.47 3bss n HIS 125 Cb 0.59 -2.27 0.00 0.00 0.12 0.00 0.00 29.99 28.43 3bss n HIS 125 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3bss n GLU 126 N 0.63 -0.84 -1.58 -1.40 1.02 0.71 -0.63 120.64 118.56 3bss n GLU 126 Ca 0.09 0.21 -0.34 0.00 -0.02 0.00 0.00 57.16 57.10 3bss n GLU 126 Cb 0.33 -4.01 0.07 0.00 -0.02 0.00 0.00 31.44 27.82 3bss n GLU 126 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bss s VAL 128 N -2.06 1.60 -0.38 0.00 1.01 0.28 -0.32 120.40 120.54 3bss s VAL 128 Ca 0.72 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 3bss s VAL 128 Cb -0.27 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.65 3bss s VAL 128 CO 0.43 0.40 0.18 -0.63 0.00 0.00 0.00 175.10 175.48 3bss s ILE 129 N 1.46 3.79 0.60 2.22 -1.09 -0.07 -0.08 121.20 128.03 3bss s ILE 129 Ca 0.04 -1.45 -0.19 0.00 -2.23 0.00 0.00 60.65 56.82 3bss s ILE 129 Cb -0.13 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3bss s ILE 129 CO -0.10 -0.41 1.22 -0.83 -1.23 0.00 0.00 174.94 173.59 3bss s GLY 130 N 1.77 2.76 0.43 6.18 0.00 0.53 -1.76 107.32 117.24 3bss s GLY 130 Ca 0.02 1.04 -0.24 0.00 0.00 0.00 0.00 44.72 45.54 3bss s GLY 130 CO 0.01 1.44 0.98 -1.84 0.00 0.00 0.00 173.10 173.69 3bss n GLU 131 N -1.60 1.29 -1.72 2.90 0.28 -1.26 -2.31 120.64 118.21 3bss n GLU 131 Ca 0.14 0.46 -0.19 0.00 -0.16 0.00 0.00 57.16 57.41 3bss n GLU 131 Cb 0.49 -2.01 -0.07 0.00 1.43 0.00 0.00 31.44 31.28 3bss n GLU 131 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3bss n PHE 132 N -0.55 -0.29 -1.82 -1.84 3.72 0.43 -0.62 117.46 116.49 3bss n PHE 132 Ca 0.10 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.19 3bss n PHE 132 Cb 0.39 -3.36 0.02 0.00 -0.94 0.00 0.00 39.48 35.59 3bss n PHE 132 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3bss s SER 133 N -2.50 5.97 -0.15 4.37 0.01 -0.98 -3.93 113.70 116.49 3bss s SER 133 Ca 0.00 1.42 -0.01 0.00 1.31 0.00 0.00 55.95 58.67 3bss s SER 133 Cb 0.00 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.87 3bss s SER 133 CO 0.00 -1.04 -0.03 -2.28 0.41 0.00 0.00 173.24 170.31 3bss s HIS 134 N -3.18 1.34 -0.48 2.43 2.46 0.11 -1.07 115.29 116.91 3bss s HIS 134 Ca 0.56 -0.83 -0.15 0.00 0.47 0.00 0.00 55.06 55.11 3bss s HIS 134 Cb -0.12 -1.15 0.08 0.00 -0.13 0.00 0.00 32.58 31.27 3bss s HIS 134 CO 0.54 -0.55 0.39 0.08 -2.47 0.00 0.00 174.74 172.73 3bss s VAL 135 N 1.75 5.09 0.93 0.89 1.01 0.27 -0.52 120.40 129.82 3bss s VAL 135 Ca 0.02 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 3bss s VAL 135 Cb -0.15 -4.08 0.23 0.00 0.00 0.00 0.00 36.38 32.38 3bss s VAL 135 CO -0.07 -0.62 0.90 -1.20 0.00 0.00 0.00 175.10 174.11 3bss n SER 136 N 5.17 -1.47 -4.68 3.32 7.64 0.14 -0.29 113.62 123.45 3bss n SER 136 Ca -0.12 -1.10 -0.51 0.00 1.01 0.00 0.00 58.87 58.15 3bss n SER 136 Cb 0.43 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 3bss n SER 136 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3bss n VAL 137 N -4.18 0.35 -0.89 0.44 3.14 -1.26 -1.16 118.33 114.77 3bss n VAL 137 Ca 0.12 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3bss n VAL 137 Cb 0.46 -1.52 0.00 0.00 -1.06 0.00 0.00 33.84 31.72 3bss n VAL 137 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3bss n GLY 138 N 3.98 0.62 3.78 7.55 0.00 -0.35 -1.22 105.19 119.55 3bss n GLY 138 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3bss n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bss s ALA 139 N -2.76 3.22 -0.02 4.61 0.00 -0.31 -3.99 121.76 122.51 3bss s ALA 139 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3bss s ALA 139 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3bss s ALA 139 CO 0.00 0.05 0.01 0.15 0.00 0.00 0.00 175.76 175.97 3bss s LYS 140 N -1.99 0.12 -0.21 0.00 1.02 -0.62 -2.26 119.74 115.79 3bss s LYS 140 Ca 0.50 0.08 -0.06 0.00 0.02 0.00 0.00 55.97 56.51 3bss s LYS 140 Cb -0.22 -0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.78 3bss s LYS 140 CO 0.27 -0.10 0.04 0.00 -0.92 0.00 0.00 175.35 174.64 3bss n ALA 142 N 4.37 -2.58 -1.71 0.00 0.00 -0.44 -1.68 120.51 118.47 3bss n ALA 142 Ca -0.17 -1.53 -0.42 0.00 0.00 0.00 0.00 53.44 51.33 3bss n ALA 142 Cb 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 3bss n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bss n GLY 143 N -3.78 0.64 3.02 0.00 0.00 -1.26 -3.14 105.19 100.67 3bss n GLY 143 Ca 0.14 0.29 -0.22 0.00 0.00 0.00 0.00 46.02 46.23 3bss n GLY 143 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bss n ASN 144 N 0.64 -5.73 -4.78 1.61 5.15 0.20 -0.56 115.26 111.79 3bss n ASN 144 Ca 0.05 -0.28 -0.39 0.00 -0.60 0.00 0.00 54.58 53.36 3bss n ASN 144 Cb 0.37 -4.65 -0.06 0.00 -0.53 0.00 0.00 39.78 34.91 3bss n ASN 144 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3bss s VAL 145 N -3.13 4.63 -0.23 3.44 1.01 -1.19 -3.44 120.40 121.51 3bss s VAL 145 Ca 0.29 1.49 -0.06 0.00 0.00 0.00 0.00 61.98 63.70 3bss s VAL 145 Cb -0.14 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 3bss s VAL 145 CO 0.36 0.48 0.02 -1.59 0.00 0.00 0.00 175.10 174.38 3bss s LYS 146 N -0.73 3.60 -0.22 2.72 0.00 0.06 -0.55 119.74 124.61 3bss s LYS 146 Ca 0.34 -0.52 -0.08 0.00 0.00 0.00 0.00 55.97 55.71 3bss s LYS 146 Cb -0.21 -3.18 -0.04 0.00 0.00 0.00 0.00 37.83 34.41 3bss s LYS 146 CO 0.22 -0.11 0.09 0.42 0.00 0.00 0.00 175.35 175.97 3bss s ILE 147 N 1.35 4.70 1.05 3.79 -1.09 0.88 -0.89 121.20 131.00 3bss s ILE 147 Ca 0.05 -0.05 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 3bss s ILE 147 Cb -0.15 -3.17 0.22 0.00 -1.58 0.00 0.00 42.46 37.78 3bss s ILE 147 CO 0.02 0.38 1.07 -0.83 -1.23 0.00 0.00 174.94 174.35 3bss s GLY 148 N 1.03 1.56 0.50 6.18 0.00 0.41 -0.34 107.32 116.66 3bss s GLY 148 Ca 0.05 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.26 3bss s GLY 148 CO 0.03 0.37 1.38 0.28 0.00 0.00 0.00 173.10 175.16 3bss n LYS 149 N -4.41 1.93 -1.24 2.90 4.01 -1.26 -3.31 118.16 116.77 3bss n LYS 149 Ca 0.05 0.70 -0.08 0.00 -0.51 0.00 0.00 58.31 58.46 3bss n LYS 149 Cb 0.56 -2.58 -0.04 0.00 -0.51 0.00 0.00 35.03 32.47 3bss n LYS 149 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3bss n ASN 150 N -0.56 -5.56 -4.79 4.39 3.02 0.21 -0.63 115.26 111.34 3bss n ASN 150 Ca 0.08 0.21 -0.33 0.00 -0.03 0.00 0.00 54.58 54.51 3bss n ASN 150 Cb 0.43 -3.79 0.03 0.00 -0.61 0.00 0.00 39.78 35.84 3bss n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bss s PHE 152 N -2.45 2.23 -0.26 0.00 5.36 -0.56 -0.71 117.98 121.59 3bss s PHE 152 Ca 0.65 -1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 55.45 3bss s PHE 152 Cb -0.18 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 3bss s PHE 152 CO 0.40 -0.56 0.01 -0.51 -1.46 0.00 0.00 175.22 173.10 3bss s LEU 153 N 1.04 3.39 0.91 6.12 1.43 0.32 -0.49 118.68 131.39 3bss s LEU 153 Ca -0.04 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 3bss s LEU 153 Cb -0.15 -1.80 0.14 0.00 0.03 0.00 0.00 46.19 44.42 3bss s LEU 153 CO -0.04 -0.11 1.09 -0.83 0.23 0.00 0.00 176.35 176.69 3bss s GLY 154 N 1.47 1.61 -0.02 -3.19 0.00 0.48 -0.68 107.32 106.99 3bss s GLY 154 Ca 0.03 -0.10 -0.39 0.00 0.00 0.00 0.00 44.72 44.27 3bss s GLY 154 CO -0.01 0.41 1.31 4.51 0.00 0.00 0.00 173.10 179.32 3bss n ILE 155 N -3.94 0.03 -1.51 0.90 3.06 -1.26 -1.38 119.36 115.26 3bss n ILE 155 Ca 0.07 -0.01 -0.18 0.00 -2.50 0.00 0.00 62.75 60.13 3bss n ILE 155 Cb 0.55 -0.57 -0.08 0.00 0.54 0.00 0.00 39.64 40.09 3bss n ILE 155 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3bss n ASN 156 N 2.57 -5.27 -4.91 9.51 4.13 -0.36 -0.13 115.26 120.81 3bss n ASN 156 Ca 0.21 0.44 -0.28 0.00 1.68 0.00 0.00 54.58 56.63 3bss n ASN 156 Cb 0.13 -4.33 0.05 0.00 -1.54 0.00 0.00 39.78 34.09 3bss n ASN 156 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3bss s SER 157 N -2.76 5.23 0.09 6.41 1.04 -0.48 -3.83 113.70 119.39 3bss s SER 157 Ca 0.00 0.78 -0.17 0.00 0.48 0.00 0.00 55.95 57.03 3bss s SER 157 Cb 0.00 -1.57 0.04 0.00 0.10 0.00 0.00 66.02 64.59 3bss s SER 157 CO 0.00 -1.38 0.41 0.00 0.98 0.00 0.00 173.24 173.26 3bss s VAL 159 N -3.18 1.56 0.85 0.00 1.01 -0.64 -1.10 120.40 118.89 3bss s VAL 159 Ca -0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 3bss s VAL 159 Cb 0.01 -1.40 0.10 0.00 0.00 0.00 0.00 36.38 35.09 3bss s VAL 159 CO -0.07 0.45 1.12 -0.76 0.00 0.00 0.00 175.10 175.83 3bss s LEU 160 N 0.74 2.90 0.53 3.92 1.02 -0.75 -1.32 118.68 125.72 3bss s LEU 160 Ca -0.12 1.98 -0.22 0.00 0.02 0.00 0.00 54.13 55.80 3bss s LEU 160 Cb -0.16 -4.51 -0.06 0.00 0.02 0.00 0.00 46.19 41.48 3bss s LEU 160 CO 0.02 -2.58 1.28 -2.65 0.02 0.00 0.00 176.35 172.45 3bss n PRO 161 N -3.88 1.62 -0.97 1.29 -0.02 -1.26 -3.30 135.00 128.47 3bss n PRO 161 Ca 0.10 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3bss n PRO 161 Cb 0.53 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3bss n PRO 161 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bss n ASN 162 N -0.72 -3.61 -4.92 2.55 3.02 0.27 -4.96 115.26 106.89 3bss n ASN 162 Ca 0.10 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.39 3bss n ASN 162 Cb 0.44 -1.60 -0.01 0.00 -0.61 0.00 0.00 39.78 38.00 3bss n ASN 162 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bss s LEU 163 N 0.00 3.78 -0.07 3.41 1.43 -1.21 -4.87 118.68 121.16 3bss s LEU 163 Ca 0.00 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 3bss s LEU 163 Cb 0.00 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.54 3bss s LEU 163 CO 0.00 -0.46 -0.18 -0.55 0.23 0.00 0.00 176.35 175.39 3bss s SER 164 N -4.00 2.34 -0.20 2.29 0.15 -1.26 -0.76 113.70 112.27 3bss s SER 164 Ca 0.45 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 3bss s SER 164 Cb -0.10 -0.95 -0.00 0.00 -1.71 0.00 0.00 66.02 63.26 3bss s SER 164 CO 0.41 0.11 -0.09 -0.22 1.20 0.00 0.00 173.24 174.65 3bss s LEU 165 N 0.36 2.68 0.44 3.45 2.96 -0.06 -1.30 118.68 127.20 3bss s LEU 165 Ca -0.13 -0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 53.10 3bss s LEU 165 Cb -0.15 -1.66 -0.10 0.00 0.50 0.00 0.00 46.19 44.78 3bss s LEU 165 CO 0.05 0.01 1.03 0.00 -1.32 0.00 0.00 176.35 176.12 3bss n ALA 166 N 4.58 0.30 -1.38 5.97 0.00 -0.38 -0.44 120.51 129.17 3bss n ALA 166 Ca -0.19 0.21 -0.44 0.00 0.00 0.00 0.00 53.44 53.02 3bss n ALA 166 Cb 0.51 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.84 3bss n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bss n ASP 167 N 0.37 -1.67 -2.04 0.00 8.00 -1.26 -2.97 116.55 116.98 3bss n ASP 167 Ca 0.09 0.97 -0.17 0.00 0.71 0.00 0.00 54.79 56.40 3bss n ASP 167 Cb 0.40 -0.97 -0.00 0.00 -0.02 0.00 0.00 41.12 40.53 3bss n ASP 167 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3bss n ASP 168 N 1.97 -5.07 -4.94 -2.24 8.00 0.20 -4.51 116.55 109.96 3bss n ASP 168 Ca 0.14 -0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.37 3bss n ASP 168 Cb 0.34 -4.12 -0.03 0.00 -0.02 0.00 0.00 41.12 37.29 3bss n ASP 168 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3bss s SER 169 N -2.33 6.18 -0.08 -2.24 0.01 -1.16 -4.49 113.70 109.59 3bss s SER 169 Ca 0.05 0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.37 3bss s SER 169 Cb -0.02 -1.78 -0.00 0.00 0.21 0.00 0.00 66.02 64.42 3bss s SER 169 CO 0.06 -0.05 -0.23 -0.63 0.41 0.00 0.00 173.24 172.79 3bss s ILE 170 N -1.98 1.96 -0.22 1.44 1.01 -0.22 -1.50 121.20 121.69 3bss s ILE 170 Ca 0.34 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 3bss s ILE 170 Cb -0.09 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.69 3bss s ILE 170 CO 0.28 0.54 -0.06 -0.22 0.00 0.00 0.00 174.94 175.49 3bss s LEU 171 N 0.15 2.86 0.76 2.97 2.96 0.35 -0.31 118.68 128.42 3bss s LEU 171 Ca -0.12 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.20 3bss s LEU 171 Cb -0.16 -1.71 0.05 0.00 0.50 0.00 0.00 46.19 44.88 3bss s LEU 171 CO 0.06 -0.03 1.11 -0.83 -1.32 0.00 0.00 176.35 175.34 3bss s GLY 172 N 1.44 1.85 0.23 7.98 0.00 0.85 -0.38 107.32 119.29 3bss s GLY 172 Ca 0.05 0.42 -0.31 0.00 0.00 0.00 0.00 44.72 44.88 3bss s GLY 172 CO -0.04 0.78 1.25 0.61 0.00 0.00 0.00 173.10 175.70 3bss n GLY 173 N -0.74 0.33 3.33 0.20 0.00 -1.26 -1.63 105.19 105.43 3bss n GLY 173 Ca 0.10 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3bss n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bss n GLY 174 N 1.88 1.33 3.84 -0.02 0.00 0.82 -4.59 105.19 108.44 3bss n GLY 174 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3bss n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bss s ALA 175 N -2.99 3.28 -0.28 4.61 0.00 -0.64 -4.77 121.76 120.98 3bss s ALA 175 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.09 3bss s ALA 175 Cb 0.00 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.32 3bss s ALA 175 CO 0.00 0.29 -0.05 0.99 0.00 0.00 0.00 175.76 177.00 3bss s THR 176 N -1.94 2.70 -0.28 0.00 2.01 -1.26 -0.99 115.64 115.88 3bss s THR 176 Ca 0.54 -1.40 -0.26 0.00 0.31 0.00 0.00 61.69 60.88 3bss s THR 176 Cb -0.11 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.87 3bss s THR 176 CO 0.17 -0.02 0.90 -0.22 -0.69 0.00 0.00 174.62 174.76 3bss s LEU 177 N 1.22 4.06 0.00 4.42 2.96 -0.26 -4.90 118.68 126.17 3bss s LEU 177 Ca -0.05 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 54.91 3bss s LEU 177 Cb -0.19 -3.28 -0.07 0.00 0.50 0.00 0.00 46.19 43.14 3bss s LEU 177 CO -0.03 -0.65 0.34 1.33 -1.32 0.00 0.00 176.35 176.02 3bss n VAL 178 N 5.48 0.00 -4.12 1.68 0.24 -1.26 -1.81 118.33 118.53 3bss n VAL 178 Ca 0.07 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3bss n VAL 178 Cb 0.47 1.01 -0.11 0.00 -1.47 0.00 0.00 33.84 33.74 3bss n VAL 178 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3bss s LYS 179 N -1.66 0.70 0.39 7.34 3.01 -1.26 -4.96 119.74 123.29 3bss s LYS 179 Ca 0.03 -1.04 -0.26 0.00 -1.01 0.00 0.00 55.97 53.69 3bss s LYS 179 Cb 0.06 -0.31 -0.11 0.00 -1.01 0.00 0.00 37.83 36.46 3bss s LYS 179 CO 0.30 0.03 1.20 0.09 0.51 0.00 0.00 175.35 177.48 3bss n ASN 180 N 0.75 2.26 -3.92 2.83 5.03 -1.26 -4.81 115.26 116.13 3bss n ASN 180 Ca -0.18 1.13 -0.31 0.00 0.87 0.00 0.00 54.58 56.10 3bss n ASN 180 Cb 0.57 -1.45 -0.15 0.00 -1.02 0.00 0.00 39.78 37.73 3bss n ASN 180 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3bss s GLN 181 N -2.02 1.37 0.23 3.52 -1.52 -0.42 -4.97 119.66 115.86 3bss s GLN 181 Ca 0.60 -1.36 0.11 0.00 -1.95 0.00 0.00 55.36 52.76 3bss s GLN 181 Cb -0.55 -2.68 0.14 0.00 -0.22 0.00 0.00 33.01 29.70 3bss s GLN 181 CO 0.59 -0.82 1.47 0.22 -0.25 0.00 0.00 175.29 176.50 3bss h ASP 182 N 7.85 0.00 -3.66 5.90 3.58 -1.95 -1.00 116.42 127.14 3bss h ASP 182 Ca -0.12 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.66 3bss h ASP 182 Cb 1.04 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.84 3bss h ASP 182 CO 0.47 0.70 -0.76 -1.61 -2.88 0.00 0.00 179.24 175.17 3bss s GLU 183 N -3.15 2.96 0.71 0.28 2.02 -1.26 -4.76 118.70 115.50 3bss s GLU 183 Ca 0.01 -0.67 -0.16 0.00 0.02 0.00 0.00 54.97 54.16 3bss s GLU 183 Cb 0.10 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.81 3bss s GLU 183 CO 0.77 0.43 1.02 0.36 0.02 0.00 0.00 175.26 177.86 3bss n LYS 184 N 2.89 0.58 -3.02 1.61 2.85 -1.26 -4.81 118.16 117.00 3bss n LYS 184 Ca -0.18 0.26 0.01 0.00 -1.05 0.00 0.00 58.31 57.35 3bss n LYS 184 Cb 0.52 -2.27 0.01 0.00 -0.65 0.00 0.00 35.03 32.64 3bss n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bss n GLY 185 N 1.05 0.42 3.14 2.58 0.00 -1.26 -5.02 105.19 106.09 3bss n GLY 185 Ca 0.13 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 3bss n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bss s VAL 186 N -2.08 2.51 -0.25 1.61 1.01 -1.26 -1.05 120.40 120.87 3bss s VAL 186 Ca 0.16 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 3bss s VAL 186 Cb -0.00 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 34.08 3bss s VAL 186 CO -0.00 0.16 -0.03 -0.36 0.00 0.00 0.00 175.10 174.87 3bss s PHE 187 N 1.24 3.07 0.19 5.22 0.08 0.58 -4.99 117.98 123.37 3bss s PHE 187 Ca -0.02 -1.35 0.11 0.00 0.12 0.00 0.00 56.93 55.78 3bss s PHE 187 Cb -0.17 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 3bss s PHE 187 CO -0.06 -0.67 -0.21 0.14 -0.10 0.00 0.00 175.22 174.32 3bss s VAL 188 N 1.38 2.52 0.00 -0.44 -7.23 -1.26 -0.10 120.40 115.27 3bss s VAL 188 Ca 0.01 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3bss s VAL 188 Cb -0.16 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.56 3bss s VAL 188 CO -0.03 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 3bss n GLY 189 N 0.20 1.49 3.59 2.32 0.00 -1.26 -4.93 105.19 106.61 3bss n GLY 189 Ca -0.12 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 3bss n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bss s VAL 190 N 0.95 5.25 0.72 1.61 1.01 -1.26 -5.02 120.40 123.66 3bss s VAL 190 Ca 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 3bss s VAL 190 Cb 0.00 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.80 3bss s VAL 190 CO 0.00 0.19 1.16 -2.16 0.00 0.00 0.00 175.10 174.29 3bss s PRO 191 N 1.90 2.31 0.41 2.72 0.04 -1.26 -4.96 135.00 136.16 3bss s PRO 191 Ca 0.11 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 3bss s PRO 191 Cb -0.16 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3bss s PRO 191 CO 0.11 -1.67 1.41 0.00 0.04 0.00 0.00 177.00 176.89 3bss n ALA 192 N -2.75 1.93 -2.86 8.56 0.00 -1.26 -5.01 120.51 119.12 3bss n ALA 192 Ca 0.12 0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.56 3bss n ALA 192 Cb 0.51 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 17.43 3bss n ALA 192 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3bss s LYS 193 N -2.24 2.15 0.13 0.00 1.02 -1.26 -5.11 119.74 114.43 3bss s LYS 193 Ca 0.58 -0.74 -0.33 0.00 0.02 0.00 0.00 55.97 55.50 3bss s LYS 193 Cb -0.48 -1.83 -0.12 0.00 -0.52 0.00 0.00 37.83 34.87 3bss s LYS 193 CO 0.60 0.29 1.72 -2.13 -0.92 0.00 0.00 175.35 174.91 3bss n ARG 194 N 3.09 2.45 0.00 1.68 0.63 -1.26 -5.33 116.66 117.92 3bss n ARG 194 Ca -0.18 0.89 0.11 0.00 -0.92 0.00 0.00 57.85 57.74 3bss n ARG 194 Cb 0.52 -2.71 0.64 0.00 0.45 0.00 0.00 32.46 31.36 3bss n ARG 194 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79