#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ojx h LEU 4 N 0.00 0.00 -0.56 1.20 3.38 -1.97 -2.91 115.31 114.44 1ojx h LEU 4 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ojx h LEU 4 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ojx h LEU 4 CO 0.00 0.20 0.24 0.74 0.09 0.00 0.00 178.44 179.71 1ojx h THR 5 N 0.00 1.22 -0.73 0.22 2.02 -1.96 -0.80 112.91 112.87 1ojx h THR 5 Ca -0.00 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1ojx h THR 5 Cb 1.14 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1ojx h THR 5 CO 0.03 0.26 0.34 -0.33 0.37 0.00 0.00 175.52 176.19 1ojx h GLU 6 N 0.77 1.05 -0.61 6.66 5.08 -1.88 -1.39 114.58 124.26 1ojx h GLU 6 Ca 0.19 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1ojx h GLU 6 Cb 0.18 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1ojx h GLU 6 CO -0.02 0.83 0.31 -0.22 -1.00 0.00 0.00 179.01 178.91 1ojx h LYS 7 N 1.02 0.87 -0.48 2.33 3.64 -1.34 -2.31 116.57 120.31 1ojx h LYS 7 Ca 0.25 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1ojx h LYS 7 Cb 0.13 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1ojx h LYS 7 CO -0.03 0.69 0.26 0.35 -2.27 0.00 0.00 179.45 178.45 1ojx h PHE 8 N 0.84 0.49 -0.29 1.91 3.57 -0.74 -2.35 116.94 120.36 1ojx h PHE 8 Ca 0.21 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 1ojx h PHE 8 Cb 0.09 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1ojx h PHE 8 CO -0.00 0.26 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.04 1ojx h LEU 9 N 0.52 0.54 -0.49 0.59 3.38 -1.06 0.17 115.31 118.96 1ojx h LEU 9 Ca 0.20 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1ojx h LEU 9 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ojx h LEU 9 CO -0.12 0.76 0.07 -0.09 0.09 0.00 0.00 178.44 179.15 1ojx h ARG 10 N 0.48 0.82 0.03 1.13 2.43 -1.19 -0.76 114.38 117.32 1ojx h ARG 10 Ca 0.07 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 1ojx h ARG 10 Cb 0.65 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1ojx h ARG 10 CO 0.05 0.82 -0.31 0.82 -1.51 0.00 0.00 179.97 179.84 1ojx h ILE 11 N 0.69 1.62 -0.02 1.20 2.04 -1.29 -3.37 117.51 118.39 1ojx h ILE 11 Ca 0.15 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1ojx h ILE 11 Cb 0.41 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1ojx h ILE 11 CO 0.01 0.60 -0.22 0.49 0.00 0.00 0.00 178.15 179.03 1ojx n PHE 12 N -4.44 0.00 -2.72 1.37 3.72 0.03 -4.61 117.46 110.81 1ojx n PHE 12 Ca -0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.24 1ojx n PHE 12 Cb 0.58 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.17 1ojx n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ojx n ALA 13 N 0.29 2.86 0.10 4.37 0.00 -0.30 -4.54 120.51 123.29 1ojx n ALA 13 Ca 0.08 -2.63 0.05 0.00 0.00 0.00 0.00 53.44 50.94 1ojx n ALA 13 Cb 0.39 -0.92 0.47 0.00 0.00 0.00 0.00 19.45 19.39 1ojx n ALA 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1ojx h ARG 14 N 2.61 0.32 -0.00 0.00 0.11 -1.70 -1.55 114.38 114.16 1ojx h ARG 14 Ca -0.16 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.89 1ojx h ARG 14 Cb 1.23 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1ojx h ARG 14 CO 0.28 0.27 -0.06 0.54 0.10 0.00 0.00 179.97 181.10 1ojx n ARG 15 N -4.44 0.94 0.00 0.08 3.00 -1.26 -4.92 116.66 110.07 1ojx n ARG 15 Ca 0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 57.85 57.53 1ojx n ARG 15 Cb 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1ojx n ARG 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ojx n GLY 16 N 1.19 3.18 3.36 -0.13 0.00 -0.58 -5.05 105.19 107.16 1ojx n GLY 16 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1ojx n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ojx s LYS 17 N -0.76 1.45 -0.02 1.61 -0.14 -1.26 -4.98 119.74 115.65 1ojx s LYS 17 Ca 0.00 -1.77 0.02 0.00 -1.36 0.00 0.00 55.97 52.86 1ojx s LYS 17 Cb 0.00 -0.60 0.00 0.00 -1.68 0.00 0.00 37.83 35.55 1ojx s LYS 17 CO 0.00 -0.17 -0.06 0.45 -0.76 0.00 0.00 175.35 174.81 1ojx s SER 18 N -3.36 0.82 -0.15 2.83 0.15 -0.25 -4.57 113.70 109.16 1ojx s SER 18 Ca 0.33 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.87 1ojx s SER 18 Cb 0.07 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 1ojx s SER 18 CO 0.12 0.04 -0.17 -0.63 1.20 0.00 0.00 173.24 173.80 1ojx s ILE 19 N 0.14 1.78 -0.10 6.45 1.01 -1.26 -1.47 121.20 127.75 1ojx s ILE 19 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1ojx s ILE 19 Cb -0.06 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1ojx s ILE 19 CO -0.00 0.49 -0.10 -0.63 0.00 0.00 0.00 174.94 174.70 1ojx s ILE 20 N 1.25 3.36 -0.55 2.92 -1.09 -0.38 -1.10 121.20 125.62 1ojx s ILE 20 Ca 0.01 -0.58 -0.20 0.00 -2.23 0.00 0.00 60.65 57.66 1ojx s ILE 20 Cb -0.14 -2.39 0.07 0.00 -1.58 0.00 0.00 42.46 38.42 1ojx s ILE 20 CO -0.09 0.56 0.72 -0.22 -1.23 0.00 0.00 174.94 174.67 1ojx s LEU 21 N -0.22 4.91 0.12 2.97 2.96 -0.14 -0.84 118.68 128.42 1ojx s LEU 21 Ca 0.02 -0.98 -0.30 0.00 -0.22 0.00 0.00 54.13 52.65 1ojx s LEU 21 Cb -0.13 -2.46 -0.06 0.00 0.50 0.00 0.00 46.19 44.04 1ojx s LEU 21 CO 0.03 -1.04 1.08 0.00 -1.32 0.00 0.00 176.35 175.10 1ojx s ALA 22 N 2.95 3.33 -0.29 5.97 0.00 0.20 -1.94 121.76 131.97 1ojx s ALA 22 Ca 0.17 0.74 0.19 0.00 0.00 0.00 0.00 51.96 53.06 1ojx s ALA 22 Cb -0.19 -3.36 0.47 0.00 0.00 0.00 0.00 23.12 20.04 1ojx s ALA 22 CO 0.11 -0.22 1.22 0.98 0.00 0.00 0.00 175.76 177.85 1ojx n TYR 23 N 2.96 0.20 0.70 0.00 9.36 -0.84 -4.25 117.16 125.28 1ojx n TYR 23 Ca 0.04 -2.09 0.09 0.00 3.32 0.00 0.00 57.90 59.27 1ojx n TYR 23 Cb 0.47 0.31 0.27 0.00 -0.63 0.00 0.00 39.34 39.76 1ojx n TYR 23 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1ojx n ASP 24 N -0.79 2.43 -0.26 2.98 5.75 -1.25 -4.56 116.55 120.86 1ojx n ASP 24 Ca 0.00 -1.90 0.04 0.00 -0.01 0.00 0.00 54.79 52.92 1ojx n ASP 24 Cb 0.83 -0.24 0.27 0.00 -1.03 0.00 0.00 41.12 40.95 1ojx n ASP 24 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 1ojx h HIS 25 N 2.91 0.96 -0.91 2.11 2.76 -1.94 -2.66 115.15 118.38 1ojx h HIS 25 Ca 0.00 0.02 0.21 0.00 -2.20 0.00 0.00 60.37 58.40 1ojx h HIS 25 Cb 0.65 -0.32 -0.12 0.00 1.55 0.00 0.00 27.41 29.18 1ojx h HIS 25 CO 0.24 0.53 0.46 0.78 -1.30 0.00 0.00 177.93 178.63 1ojx h GLY 26 N 0.97 1.59 0.44 5.26 0.00 -1.80 0.55 103.07 110.07 1ojx h GLY 26 Ca 0.35 -0.23 -0.29 0.00 0.00 0.00 0.00 47.33 47.16 1ojx h GLY 26 CO -0.12 -0.20 -1.52 1.19 0.00 0.00 0.00 176.54 175.90 1ojx h ILE 27 N 0.51 0.90 -0.55 2.60 2.10 -1.85 -2.90 117.51 118.33 1ojx h ILE 27 Ca 0.56 -2.33 -0.08 0.00 1.08 0.00 0.00 64.86 64.08 1ojx h ILE 27 Cb 0.99 2.55 -0.02 0.00 -1.09 0.00 0.00 36.82 39.25 1ojx h ILE 27 CO -0.47 0.67 0.01 -0.33 -1.08 0.00 0.00 178.15 176.95 1ojx h GLU 28 N -0.37 0.96 0.00 2.19 4.39 -1.21 -3.37 114.58 117.17 1ojx h GLU 28 Ca -0.34 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1ojx h GLU 28 Cb 1.72 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1ojx h GLU 28 CO 0.00 0.96 -0.80 0.72 -1.16 0.00 0.00 179.01 178.73 1ojx n HIS 29 N -4.27 0.00 0.00 4.33 8.25 0.07 -2.63 115.22 120.96 1ojx n HIS 29 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1ojx n HIS 29 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1ojx n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ojx n GLY 30 N 2.16 -0.47 0.00 -1.41 0.00 -0.51 -4.70 105.19 100.26 1ojx n GLY 30 Ca 0.00 -1.74 0.15 0.00 0.00 0.00 0.00 46.02 44.43 1ojx n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ojx n PRO 31 N -0.48 0.83 -0.27 1.61 -0.04 -1.26 -4.26 135.00 131.13 1ojx n PRO 31 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1ojx n PRO 31 Cb 0.00 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.16 1ojx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ojx h ALA 32 N 3.77 1.15 0.00 0.55 0.00 -1.97 -1.60 119.26 121.15 1ojx h ALA 32 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ojx h ALA 32 Cb 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ojx h ALA 32 CO 0.00 -0.13 -0.10 -0.44 0.00 0.00 0.00 179.25 178.57 1ojx h ASP 33 N 0.55 0.00 0.15 0.00 3.32 -1.93 -2.48 116.42 116.03 1ojx h ASP 33 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1ojx h ASP 33 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1ojx h ASP 33 CO -0.37 0.10 0.00 -0.26 -1.72 0.00 0.00 179.24 177.00 1ojx h PHE 34 N 0.00 0.00 0.00 4.55 0.04 -1.58 -3.22 116.94 116.72 1ojx h PHE 34 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1ojx h PHE 34 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1ojx h PHE 34 CO 0.00 0.00 -0.32 0.52 -0.60 0.00 0.00 178.31 177.91 1ojx h MET 35 N 0.00 0.00 -0.33 1.51 2.86 -1.57 -2.64 114.93 114.76 1ojx h MET 35 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1ojx h MET 35 Cb 0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1ojx h MET 35 CO 0.00 0.32 -0.00 -0.44 1.06 0.00 0.00 176.91 177.85 1ojx h ASP 36 N 0.00 0.47 -2.24 1.22 3.32 -1.80 -3.33 116.42 114.06 1ojx h ASP 36 Ca -0.00 -0.09 -0.56 0.00 0.02 0.00 0.00 57.03 56.40 1ojx h ASP 36 Cb 0.64 -0.12 -0.37 0.00 0.22 0.00 0.00 39.33 39.70 1ojx h ASP 36 CO 0.04 0.54 -0.96 -3.20 -1.72 0.00 0.00 179.24 173.94 1ojx n ASN 37 N -4.29 -0.61 -0.29 6.45 5.15 -1.17 -4.79 115.26 115.72 1ojx n ASN 37 Ca 0.01 -2.43 0.34 0.00 -0.60 0.00 0.00 54.58 51.90 1ojx n ASN 37 Cb 0.24 -0.42 0.74 0.00 -0.53 0.00 0.00 39.78 39.81 1ojx n ASN 37 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1ojx h PRO 38 N 5.45 0.00 -0.05 1.20 0.11 -1.60 0.56 132.00 137.67 1ojx h PRO 38 Ca 0.24 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.36 1ojx h PRO 38 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ojx h PRO 38 CO 0.36 0.00 0.08 -0.44 -0.21 0.00 0.00 178.00 177.79 1ojx h ASP 39 N 0.00 0.00 0.24 -2.05 3.32 -1.96 -2.65 116.42 113.32 1ojx h ASP 39 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1ojx h ASP 39 Cb 2.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.78 1ojx h ASP 39 CO -0.01 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.28 1ojx h SER 40 N 0.00 0.00 1.32 6.45 4.64 -1.13 -2.15 113.55 122.68 1ojx h SER 40 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ojx h SER 40 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1ojx h SER 40 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ojx h ALA 41 N 2.03 1.00 -2.22 5.18 0.00 -1.69 -3.43 119.26 120.13 1ojx h ALA 41 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1ojx h ALA 41 Cb 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 1ojx h ALA 41 CO 0.00 0.00 0.12 0.34 0.00 0.00 0.00 179.25 179.71 1ojx s ASP 42 N -5.09 6.34 0.55 0.00 2.15 -0.81 -4.96 116.67 114.84 1ojx s ASP 42 Ca 0.06 -0.26 0.23 0.00 0.43 0.00 0.00 52.55 53.01 1ojx s ASP 42 Cb 0.09 -2.32 1.45 0.00 -0.30 0.00 0.00 42.92 41.84 1ojx s ASP 42 CO 0.55 -0.74 2.10 -0.65 -0.17 0.00 0.00 175.17 176.26 1ojx h PRO 43 N 8.80 0.00 -0.92 4.34 0.11 -1.86 -1.09 132.00 141.38 1ojx h PRO 43 Ca -0.26 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.87 1ojx h PRO 43 Cb 1.10 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1ojx h PRO 43 CO 0.88 0.00 0.61 1.49 -0.21 0.00 0.00 178.00 180.77 1ojx h GLU 44 N 0.00 1.19 -0.86 1.05 4.81 -1.93 -1.81 114.58 117.03 1ojx h GLU 44 Ca 0.10 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1ojx h GLU 44 Cb 0.43 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1ojx h GLU 44 CO -0.00 0.78 0.41 -0.92 -0.73 0.00 0.00 179.01 178.55 1ojx h TYR 45 N 1.22 1.23 -0.46 0.92 3.20 -1.47 -2.02 116.97 119.59 1ojx h TYR 45 Ca 0.35 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1ojx h TYR 45 Cb -0.10 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 37.77 1ojx h TYR 45 CO -0.01 0.89 0.16 0.82 -1.64 0.00 0.00 178.16 178.38 1ojx h ILE 46 N 1.22 1.22 -0.85 1.81 1.08 -1.29 -0.51 117.51 120.18 1ojx h ILE 46 Ca 0.29 -0.70 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1ojx h ILE 46 Cb 0.12 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1ojx h ILE 46 CO -0.04 0.26 0.44 -0.07 -0.69 0.00 0.00 178.15 178.05 1ojx h LEU 47 N 0.61 1.09 -0.74 1.44 3.38 -1.23 -1.73 115.31 118.12 1ojx h LEU 47 Ca 0.15 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1ojx h LEU 47 Cb 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1ojx h LEU 47 CO -0.01 0.89 0.15 0.03 0.09 0.00 0.00 178.44 179.59 1ojx h ARG 48 N 1.20 1.10 -0.33 1.13 3.08 -0.86 -2.13 114.38 117.58 1ojx h ARG 48 Ca 0.30 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1ojx h ARG 48 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1ojx h ARG 48 CO -0.04 0.98 -0.00 1.25 -1.07 0.00 0.00 179.97 181.09 1ojx h LEU 49 N 1.04 0.58 -0.56 3.04 5.85 -0.88 -0.70 115.31 123.67 1ojx h LEU 49 Ca 0.21 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1ojx h LEU 49 Cb 0.39 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ojx h LEU 49 CO 0.01 0.75 0.15 0.00 -0.34 0.00 0.00 178.44 179.00 1ojx h ALA 50 N 0.85 0.74 0.11 1.25 0.00 -1.15 -1.96 119.26 119.10 1ojx h ALA 50 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ojx h ALA 50 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ojx h ALA 50 CO 0.02 0.43 -0.05 0.00 0.00 0.00 0.00 179.25 179.65 1ojx h ARG 51 N 0.80 -0.14 0.00 0.00 3.08 -1.37 -1.70 114.38 115.05 1ojx h ARG 51 Ca 0.18 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1ojx h ARG 51 Cb 0.32 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1ojx h ARG 51 CO -0.00 -0.06 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.21 1ojx h ASP 52 N -0.18 0.00 0.48 7.04 3.32 -0.99 -2.23 116.42 123.86 1ojx h ASP 52 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ojx h ASP 52 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ojx h ASP 52 CO 0.02 0.19 -0.81 0.00 -1.72 0.00 0.00 179.24 176.93 1ojx n ALA 53 N -2.23 3.49 -2.15 3.45 0.00 -0.75 -4.98 120.51 117.34 1ojx n ALA 53 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.02 1ojx n ALA 53 Cb 0.38 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1ojx n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ojx n GLY 54 N 1.41 0.26 3.77 0.00 0.00 -0.84 -4.78 105.19 105.02 1ojx n GLY 54 Ca 0.03 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1ojx n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ojx s PHE 55 N -2.30 2.64 -0.22 1.61 0.08 -0.67 -5.01 117.98 114.11 1ojx s PHE 55 Ca 0.01 1.17 0.20 0.00 0.12 0.00 0.00 56.93 58.44 1ojx s PHE 55 Cb -0.01 -3.15 0.01 0.00 -0.57 0.00 0.00 43.02 39.30 1ojx s PHE 55 CO 0.02 -2.01 1.08 -0.44 -0.10 0.00 0.00 175.22 173.76 1ojx h ASP 56 N -1.27 0.00 -5.34 1.36 3.32 -1.42 -3.46 116.42 109.61 1ojx h ASP 56 Ca -0.48 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.76 1ojx h ASP 56 Cb 1.28 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.74 1ojx h ASP 56 CO 0.58 0.19 0.51 -0.83 -1.72 0.00 0.00 179.24 177.96 1ojx s GLY 57 N -4.47 -0.25 0.07 2.75 0.00 -1.21 -4.13 107.32 100.08 1ojx s GLY 57 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.93 1ojx s GLY 57 CO 0.78 0.01 -0.11 -1.34 0.00 0.00 0.00 173.10 172.44 1ojx s VAL 58 N -3.23 0.91 -0.21 1.40 -7.23 -0.80 -0.97 120.40 110.27 1ojx s VAL 58 Ca 0.12 -1.31 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1ojx s VAL 58 Cb -0.01 -0.99 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 1ojx s VAL 58 CO 0.02 -0.34 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.71 1ojx s VAL 59 N -1.54 3.14 0.06 1.32 1.01 -0.82 -1.07 120.40 122.50 1ojx s VAL 59 Ca -0.03 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1ojx s VAL 59 Cb -0.09 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1ojx s VAL 59 CO 0.01 0.44 -0.20 -0.36 0.00 0.00 0.00 175.10 175.00 1ojx s PHE 60 N 1.42 1.73 0.84 5.22 0.08 -1.00 -2.00 117.98 124.28 1ojx s PHE 60 Ca 0.05 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.61 1ojx s PHE 60 Cb -0.14 -1.01 0.09 0.00 -0.57 0.00 0.00 43.02 41.39 1ojx s PHE 60 CO -0.05 0.11 1.09 -0.65 -0.10 0.00 0.00 175.22 175.63 1ojx s GLN 61 N -1.35 1.73 0.28 0.44 -1.52 -1.26 -1.04 119.66 116.94 1ojx s GLN 61 Ca 0.06 0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 54.20 1ojx s GLN 61 Cb -0.09 -1.87 0.42 0.00 -0.22 0.00 0.00 33.01 31.25 1ojx s GLN 61 CO 0.02 -1.90 1.92 0.07 -0.25 0.00 0.00 175.29 175.15 1ojx h ARG 62 N -1.29 1.13 -0.42 2.91 0.11 -1.94 -1.68 114.38 113.19 1ojx h ARG 62 Ca -0.48 -0.07 -0.13 0.00 0.10 0.00 0.00 59.98 59.41 1ojx h ARG 62 Cb 1.27 -0.25 -0.01 0.00 1.11 0.00 0.00 29.97 32.09 1ojx h ARG 62 CO 0.57 0.75 -0.23 0.78 0.10 0.00 0.00 179.97 181.93 1ojx h GLY 63 N 1.16 0.97 0.96 0.08 0.00 -1.97 0.64 103.07 104.92 1ojx h GLY 63 Ca 0.38 -0.89 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1ojx h GLY 63 CO -0.13 0.81 0.08 -2.22 0.00 0.00 0.00 176.54 175.08 1ojx h ILE 64 N 0.72 1.25 -0.49 2.60 1.08 -1.88 -2.27 117.51 118.52 1ojx h ILE 64 Ca 0.09 -0.89 -0.03 0.00 -0.39 0.00 0.00 64.86 63.64 1ojx h ILE 64 Cb 0.80 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1ojx h ILE 64 CO 0.07 0.31 0.20 0.00 -0.69 0.00 0.00 178.15 178.05 1ojx h ALA 65 N 0.95 0.63 -0.59 1.87 0.00 -1.09 -1.04 119.26 120.00 1ojx h ALA 65 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ojx h ALA 65 Cb 0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ojx h ALA 65 CO 0.01 0.23 0.34 1.49 0.00 0.00 0.00 179.25 181.32 1ojx h GLU 66 N 0.65 0.82 0.00 0.00 4.81 -0.83 -1.74 114.58 118.29 1ojx h GLU 66 Ca 0.16 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1ojx h GLU 66 Cb 0.18 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1ojx h GLU 66 CO -0.02 0.61 -0.70 0.87 -0.73 0.00 0.00 179.01 179.04 1ojx h LYS 67 N 0.80 0.00 0.00 1.92 6.56 -1.29 -3.42 116.57 121.14 1ojx h LYS 67 Ca 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1ojx h LYS 67 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1ojx h LYS 67 CO -0.04 0.14 -0.44 0.66 -2.06 0.00 0.00 179.45 177.72 1ojx n TYR 68 N -2.94 0.00 -1.83 -1.35 4.01 -0.41 -5.06 117.16 109.58 1ojx n TYR 68 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1ojx n TYR 68 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 1ojx n TYR 68 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1ojx s TYR 69 N -1.34 2.91 -0.00 -0.72 5.04 -0.66 -4.91 117.35 117.67 1ojx s TYR 69 Ca 0.00 0.45 0.01 0.00 -2.44 0.00 0.00 57.07 55.09 1ojx s TYR 69 Cb 0.00 -4.04 0.01 0.00 0.35 0.00 0.00 41.96 38.28 1ojx s TYR 69 CO 0.00 -3.92 1.00 -0.40 -1.34 0.00 0.00 175.55 170.90 1ojx n ASP 70 N 4.16 2.00 0.00 4.32 5.68 -1.26 -4.96 116.55 126.49 1ojx n ASP 70 Ca 0.15 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 1ojx n ASP 70 Cb 0.37 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1ojx n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ojx n GLY 71 N -0.53 0.77 0.13 6.12 0.00 -1.26 -4.92 105.19 105.49 1ojx n GLY 71 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1ojx n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ojx h SER 72 N 0.00 0.00 -3.94 1.61 4.64 -1.98 -3.44 113.55 110.44 1ojx h SER 72 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1ojx h SER 72 Cb 0.01 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.83 1ojx h SER 72 CO 0.00 0.45 -0.75 -0.69 -0.87 0.00 0.00 176.83 174.98 1ojx s VAL 73 N -3.00 0.33 0.35 0.95 1.01 -1.26 -4.98 120.40 113.80 1ojx s VAL 73 Ca 0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 1ojx s VAL 73 Cb 0.08 -0.29 -0.12 0.00 0.00 0.00 0.00 36.38 36.04 1ojx s VAL 73 CO 0.77 0.06 1.15 -2.65 0.00 0.00 0.00 175.10 174.43 1ojx n PRO 74 N 2.87 1.74 -4.66 2.72 -0.02 -1.26 -4.76 135.00 131.62 1ojx n PRO 74 Ca -0.13 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1ojx n PRO 74 Cb 0.58 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.79 1ojx n PRO 74 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ojx s LEU 75 N -0.53 2.79 -0.33 2.45 2.96 -1.26 -1.90 118.68 122.86 1ojx s LEU 75 Ca 0.58 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 54.07 1ojx s LEU 75 Cb -0.60 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1ojx s LEU 75 CO 0.60 0.15 0.20 -0.63 -1.32 0.00 0.00 176.35 175.36 1ojx s ILE 76 N 0.44 4.98 -0.48 6.68 1.01 -0.23 -1.08 121.20 132.51 1ojx s ILE 76 Ca -0.09 -0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.02 1ojx s ILE 76 Cb -0.16 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1ojx s ILE 76 CO 0.05 0.02 0.81 -0.22 0.00 0.00 0.00 174.94 175.59 1ojx s LEU 77 N 1.67 4.29 -0.31 2.97 1.98 -0.75 -2.38 118.68 126.15 1ojx s LEU 77 Ca 0.05 -0.26 -0.29 0.00 -2.89 0.00 0.00 54.13 50.75 1ojx s LEU 77 Cb -0.17 -2.87 -0.01 0.00 0.66 0.00 0.00 46.19 43.80 1ojx s LEU 77 CO 0.09 -0.99 1.48 -0.75 -1.89 0.00 0.00 176.35 174.29 1ojx s LYS 78 N 3.38 3.71 0.05 1.98 2.47 -0.20 -1.43 119.74 129.71 1ojx s LYS 78 Ca 0.28 1.29 -0.07 0.00 -1.56 0.00 0.00 55.97 55.92 1ojx s LYS 78 Cb -0.13 -4.00 -0.30 0.00 -1.46 0.00 0.00 37.83 31.94 1ojx s LYS 78 CO 0.21 -1.38 1.07 -0.07 0.16 0.00 0.00 175.35 175.33 1ojx h LEU 79 N 11.82 0.51 -9.71 5.43 3.38 -1.33 -3.39 115.31 122.02 1ojx h LEU 79 Ca -0.30 -0.57 -0.54 0.00 0.09 0.00 0.00 57.88 56.57 1ojx h LEU 79 Cb 1.12 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1ojx h LEU 79 CO 1.04 1.45 -0.59 0.54 0.09 0.00 0.00 178.44 180.97 1ojx s ASN 80 N -7.22 4.87 -0.19 -0.43 4.22 -1.26 -0.70 114.94 114.23 1ojx s ASN 80 Ca -0.06 -0.54 -0.28 0.00 -2.14 0.00 0.00 52.86 49.84 1ojx s ASN 80 Cb 0.06 -1.00 0.09 0.00 1.28 0.00 0.00 41.25 41.69 1ojx s ASN 80 CO 0.89 -0.06 0.83 -0.83 -2.04 0.00 0.00 177.10 175.89 1ojx s GLY 81 N -3.76 -0.41 0.24 0.45 0.00 -1.21 -4.84 107.32 97.79 1ojx s GLY 81 Ca 0.33 1.98 0.02 0.00 0.00 0.00 0.00 44.72 47.05 1ojx s GLY 81 CO 0.22 1.41 0.05 -1.59 0.00 0.00 0.00 173.10 173.19 1ojx s LYS 82 N -0.38 1.34 0.28 2.90 -2.85 -1.26 -4.25 119.74 115.53 1ojx s LYS 82 Ca -0.03 -1.70 0.07 0.00 -1.00 0.00 0.00 55.97 53.31 1ojx s LYS 82 Cb -0.03 -0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.34 1ojx s LYS 82 CO 0.02 -0.21 0.31 0.95 0.10 0.00 0.00 175.35 176.52 1ojx s THR 83 N -3.63 4.35 -0.89 3.79 -4.23 -1.26 -3.62 115.64 110.14 1ojx s THR 83 Ca 0.32 -1.22 0.26 0.00 -1.18 0.00 0.00 61.69 59.87 1ojx s THR 83 Cb 0.07 -3.46 0.24 0.00 1.34 0.00 0.00 72.50 70.69 1ojx s THR 83 CO 0.10 -0.27 1.81 0.35 -0.54 0.00 0.00 174.62 176.08 1ojx n THR 84 N -1.37 0.35 0.20 3.99 -2.24 -1.08 -3.23 114.28 110.90 1ojx n THR 84 Ca -0.05 -0.03 0.06 0.00 -2.27 0.00 0.00 64.05 61.76 1ojx n THR 84 Cb 0.58 -0.64 0.37 0.00 -2.10 0.00 0.00 70.33 68.55 1ojx n THR 84 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ojx h LEU 85 N 0.00 0.00 -9.75 3.22 3.38 -1.95 -3.44 115.31 106.77 1ojx h LEU 85 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1ojx h LEU 85 Cb 0.52 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.33 1ojx h LEU 85 CO 0.00 0.35 0.75 -0.47 0.09 0.00 0.00 178.44 179.16 1ojx s TYR 86 N -3.69 3.03 -0.16 1.13 5.04 -1.20 -4.95 117.35 116.55 1ojx s TYR 86 Ca -0.00 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 55.69 1ojx s TYR 86 Cb 0.11 -3.81 0.01 0.00 0.35 0.00 0.00 41.96 38.63 1ojx s TYR 86 CO 0.68 -2.61 0.58 -1.71 -1.34 0.00 0.00 175.55 171.16 1ojx n ASN 87 N 2.30 1.20 -2.02 4.32 5.15 -1.26 -5.01 115.26 119.93 1ojx n ASN 87 Ca 0.07 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 1ojx n ASN 87 Cb 0.40 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1ojx n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ojx n GLY 88 N 0.04 -0.79 3.66 8.20 0.00 -1.26 -5.00 105.19 110.04 1ojx n GLY 88 Ca 0.01 -1.72 -0.46 0.00 0.00 0.00 0.00 46.02 43.85 1ojx n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ojx n GLU 89 N -0.96 2.04 -1.68 1.61 -0.58 -1.26 -4.83 120.64 114.99 1ojx n GLU 89 Ca 0.00 0.74 -0.45 0.00 -0.42 0.00 0.00 57.16 57.02 1ojx n GLU 89 Cb 0.00 -2.49 -0.04 0.00 -0.57 0.00 0.00 31.44 28.34 1ojx n GLU 89 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1ojx n PRO 90 N 3.24 2.26 -3.66 3.49 -0.02 -1.26 -4.79 135.00 134.26 1ojx n PRO 90 Ca 0.17 0.82 -0.14 0.00 -2.02 0.00 0.00 63.50 62.33 1ojx n PRO 90 Cb 0.28 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.08 1ojx n PRO 90 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ojx s VAL 91 N 1.00 0.00 -0.13 -1.45 0.11 -1.26 -4.50 120.40 114.18 1ojx s VAL 91 Ca 0.78 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.78 1ojx s VAL 91 Cb -0.65 -0.85 0.06 0.00 -1.53 0.00 0.00 36.38 33.41 1ojx s VAL 91 CO 0.37 -0.01 0.13 -0.55 -3.33 0.00 0.00 175.10 171.72 1ojx s SER 92 N 0.20 1.43 0.18 3.54 0.15 -1.26 -4.73 113.70 113.20 1ojx s SER 92 Ca -0.01 -0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.58 1ojx s SER 92 Cb -0.04 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1ojx s SER 92 CO 0.01 -0.29 0.20 0.68 1.20 0.00 0.00 173.24 175.04 1ojx s VAL 93 N 2.23 4.76 0.21 4.45 -7.23 -1.26 -4.75 120.40 118.81 1ojx s VAL 93 Ca 0.04 -1.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.89 1ojx s VAL 93 Cb -0.14 -3.47 -0.10 0.00 0.56 0.00 0.00 36.38 33.23 1ojx s VAL 93 CO -0.08 -0.15 1.57 0.00 -0.31 0.00 0.00 175.10 176.13 1ojx s ALA 94 N -1.81 3.76 -1.25 1.32 0.00 -1.26 -3.29 121.76 119.23 1ojx s ALA 94 Ca 0.32 1.42 0.12 0.00 0.00 0.00 0.00 51.96 53.82 1ojx s ALA 94 Cb -0.10 -3.62 0.24 0.00 0.00 0.00 0.00 23.12 19.64 1ojx s ALA 94 CO 0.25 -0.82 1.12 0.27 0.00 0.00 0.00 175.76 176.59 1ojx n ASN 95 N 3.39 2.62 -3.77 0.00 0.23 0.12 -4.94 115.26 112.91 1ojx n ASN 95 Ca 0.12 -1.80 -0.12 0.00 -0.53 0.00 0.00 54.58 52.25 1ojx n ASN 95 Cb 0.38 -0.15 -0.08 0.00 -2.08 0.00 0.00 39.78 37.85 1ojx n ASN 95 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ojx s SER 97 N -1.72 6.01 0.20 0.00 1.04 -1.26 -4.90 113.70 113.07 1ojx s SER 97 Ca -0.09 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 1ojx s SER 97 Cb -0.03 -1.45 0.14 0.00 0.10 0.00 0.00 66.02 64.78 1ojx s SER 97 CO 0.00 -0.26 1.87 0.58 0.98 0.00 0.00 173.24 176.41 1ojx h VAL 98 N 1.07 1.17 -0.68 5.02 2.07 -1.95 -1.17 116.25 121.78 1ojx h VAL 98 Ca -0.48 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1ojx h VAL 98 Cb 1.25 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1ojx h VAL 98 CO 0.57 0.17 0.44 -0.08 0.02 0.00 0.00 177.57 178.69 1ojx h GLU 99 N 0.94 0.85 -0.26 1.57 4.81 -1.95 -1.19 114.58 119.35 1ojx h GLU 99 Ca 0.26 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1ojx h GLU 99 Cb -0.10 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1ojx h GLU 99 CO -0.06 0.56 -0.23 0.93 -0.73 0.00 0.00 179.01 179.48 1ojx h GLU 100 N 0.87 0.49 -0.67 1.92 5.08 -1.90 -2.69 114.58 117.68 1ojx h GLU 100 Ca 0.26 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ojx h GLU 100 Cb -0.04 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1ojx h GLU 100 CO -0.08 0.69 0.44 0.00 -1.00 0.00 0.00 179.01 179.06 1ojx h ALA 101 N 1.31 0.85 -0.63 3.43 0.00 -0.34 -1.75 119.26 122.14 1ojx h ALA 101 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ojx h ALA 101 Cb 0.65 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1ojx h ALA 101 CO 0.05 0.26 0.36 0.28 0.00 0.00 0.00 179.25 180.20 1ojx h VAL 102 N 0.89 1.01 0.00 0.00 2.07 -1.01 -1.85 116.25 117.37 1ojx h VAL 102 Ca 0.25 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 1ojx h VAL 102 Cb -0.09 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1ojx h VAL 102 CO -0.06 0.13 -0.22 -1.28 0.02 0.00 0.00 177.57 176.16 1ojx h SER 103 N 0.69 0.00 -0.03 0.57 0.87 -1.12 -2.46 113.55 112.06 1ojx h SER 103 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1ojx h SER 103 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1ojx h SER 103 CO -0.15 0.22 0.00 0.18 -0.53 0.00 0.00 176.83 176.55 1ojx n LEU 104 N -4.09 0.88 0.00 2.23 4.77 -0.70 -4.92 117.00 115.17 1ojx n LEU 104 Ca -0.02 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1ojx n LEU 104 Cb 0.29 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1ojx n LEU 104 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1ojx n GLY 105 N 1.07 0.81 3.77 -0.72 0.00 -0.93 -4.90 105.19 104.29 1ojx n GLY 105 Ca 0.20 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ojx n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ojx s ALA 106 N -2.00 3.34 -0.88 4.61 0.00 -0.89 -4.63 121.76 121.31 1ojx s ALA 106 Ca 0.00 1.29 0.21 0.00 0.00 0.00 0.00 51.96 53.47 1ojx s ALA 106 Cb 0.00 -3.51 -0.21 0.00 0.00 0.00 0.00 23.12 19.41 1ojx s ALA 106 CO 0.00 -0.84 0.88 0.43 0.00 0.00 0.00 175.76 176.23 1ojx n SER 107 N 0.28 0.86 -3.76 0.00 7.64 -0.24 -4.76 113.62 113.64 1ojx n SER 107 Ca 0.03 -0.84 -0.09 0.00 1.01 0.00 0.00 58.87 58.98 1ojx n SER 107 Cb 0.43 1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 64.67 1ojx n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ojx s ALA 108 N -3.06 -1.05 0.13 -0.43 0.00 -1.13 -4.17 121.76 112.04 1ojx s ALA 108 Ca 0.06 -0.22 0.10 0.00 0.00 0.00 0.00 51.96 51.90 1ojx s ALA 108 Cb 0.16 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 1ojx s ALA 108 CO 0.87 -0.88 -0.23 0.14 0.00 0.00 0.00 175.76 175.65 1ojx s VAL 109 N -3.89 2.00 0.12 0.00 -7.23 -0.16 -1.81 120.40 109.43 1ojx s VAL 109 Ca 0.10 -1.71 0.10 0.00 -1.81 0.00 0.00 61.98 58.67 1ojx s VAL 109 Cb -0.03 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1ojx s VAL 109 CO 0.00 -0.03 -0.26 -0.83 -0.31 0.00 0.00 175.10 173.68 1ojx s GLY 110 N -2.10 1.49 -0.19 2.32 0.00 -0.51 -0.40 107.32 107.93 1ojx s GLY 110 Ca 0.12 -1.40 -0.11 0.00 0.00 0.00 0.00 44.72 43.33 1ojx s GLY 110 CO 0.06 -1.38 0.47 -0.47 0.00 0.00 0.00 173.10 171.78 1ojx s TYR 111 N -1.05 -0.70 -0.08 1.90 5.04 -0.63 -0.87 117.35 120.96 1ojx s TYR 111 Ca 0.12 1.47 -0.17 0.00 -2.44 0.00 0.00 57.07 56.05 1ojx s TYR 111 Cb -0.10 0.34 -0.05 0.00 0.35 0.00 0.00 41.96 42.51 1ojx s TYR 111 CO 0.05 -0.38 0.46 0.99 -1.34 0.00 0.00 175.55 175.33 1ojx s THR 112 N 1.43 5.13 0.13 4.34 2.01 -1.26 -1.10 115.64 126.31 1ojx s THR 112 Ca -0.09 0.92 0.09 0.00 0.31 0.00 0.00 61.69 62.92 1ojx s THR 112 Cb -0.08 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1ojx s THR 112 CO -0.14 0.40 -0.16 0.27 -0.69 0.00 0.00 174.62 174.30 1ojx s ILE 113 N 0.13 2.93 -0.65 1.82 -4.36 -0.43 -4.85 121.20 115.79 1ojx s ILE 113 Ca 0.25 -1.52 0.05 0.00 -0.26 0.00 0.00 60.65 59.18 1ojx s ILE 113 Cb -0.16 -2.36 0.20 0.00 1.25 0.00 0.00 42.46 41.39 1ojx s ILE 113 CO 0.11 0.07 0.56 -1.22 0.24 0.00 0.00 174.94 174.70 1ojx n TYR 114 N 0.67 2.83 -1.66 1.37 4.01 -1.26 -1.79 117.16 121.34 1ojx n TYR 114 Ca -0.15 -4.15 -0.45 0.00 -0.16 0.00 0.00 57.90 53.00 1ojx n TYR 114 Cb 0.53 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 1ojx n TYR 114 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1ojx n PRO 115 N 1.69 1.91 0.00 -0.72 -0.02 -1.26 -1.92 135.00 134.67 1ojx n PRO 115 Ca 0.24 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1ojx n PRO 115 Cb 0.39 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1ojx n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ojx n GLY 116 N 2.02 2.86 3.68 -1.23 0.00 -1.26 -2.06 105.19 109.20 1ojx n GLY 116 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1ojx n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ojx n SER 117 N 0.00 2.07 0.12 1.61 2.88 -0.81 -2.36 113.62 117.13 1ojx n SER 117 Ca 0.00 1.00 0.20 0.00 -1.33 0.00 0.00 58.87 58.74 1ojx n SER 117 Cb 0.00 -1.48 0.72 0.00 -0.75 0.00 0.00 64.21 62.70 1ojx n SER 117 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ojx h GLY 118 N 1.51 0.00 -2.96 0.46 0.00 -1.87 -0.17 103.07 100.03 1ojx h GLY 118 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1ojx h GLY 118 CO 0.57 0.00 0.04 0.69 0.00 0.00 0.00 176.54 177.83 1ojx n PHE 119 N -3.50 1.79 -0.35 5.60 0.99 -1.26 -4.71 117.46 116.01 1ojx n PHE 119 Ca 0.07 -0.86 0.09 0.00 -0.00 0.00 0.00 57.45 56.74 1ojx n PHE 119 Cb 0.64 -0.48 0.27 0.00 -1.00 0.00 0.00 39.48 38.92 1ojx n PHE 119 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1ojx h GLU 120 N 3.10 0.89 -0.63 -1.08 4.11 -1.26 -1.40 114.58 118.31 1ojx h GLU 120 Ca 0.04 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.46 1ojx h GLU 120 Cb 1.87 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.89 1ojx h GLU 120 CO 0.45 0.59 0.42 0.11 0.07 0.00 0.00 179.01 180.65 1ojx h TRP 121 N 0.92 0.70 -0.49 2.06 5.08 -1.84 -1.71 115.95 120.67 1ojx h TRP 121 Ca 0.51 0.02 -0.04 0.00 1.08 0.00 0.00 58.89 60.45 1ojx h TRP 121 Cb 0.59 -0.23 -0.02 0.00 -3.00 0.00 0.00 29.16 26.50 1ojx h TRP 121 CO -0.00 0.40 0.13 -0.22 -1.28 0.00 0.00 178.44 177.47 1ojx h LYS 122 N 0.72 0.78 -0.03 0.12 3.64 -1.61 -0.85 116.57 119.34 1ojx h LYS 122 Ca 0.26 -0.18 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1ojx h LYS 122 Cb 0.12 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1ojx h LYS 122 CO -0.07 0.75 -0.72 0.52 -2.27 0.00 0.00 179.45 177.65 1ojx h MET 123 N 0.66 0.20 -0.41 1.90 2.86 -1.47 -2.49 114.93 116.18 1ojx h MET 123 Ca 0.15 -0.17 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1ojx h MET 123 Cb 0.31 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1ojx h MET 123 CO -0.00 0.84 -0.29 0.74 1.06 0.00 0.00 176.91 179.25 1ojx h PHE 124 N 0.13 1.03 -0.32 -0.22 0.04 -1.21 0.10 116.94 116.49 1ojx h PHE 124 Ca -0.02 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.43 1ojx h PHE 124 Cb 1.28 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1ojx h PHE 124 CO 0.02 1.07 0.04 1.49 -0.60 0.00 0.00 178.31 180.32 1ojx h GLU 125 N 0.75 0.55 -0.40 1.51 4.81 -1.16 -2.19 114.58 118.44 1ojx h GLU 125 Ca 0.08 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1ojx h GLU 125 Cb 0.86 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1ojx h GLU 125 CO 0.08 0.65 0.03 1.49 -0.73 0.00 0.00 179.01 180.52 1ojx h GLU 126 N 0.37 0.69 -0.45 1.92 4.81 -1.45 -3.10 114.58 117.38 1ojx h GLU 126 Ca 0.10 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1ojx h GLU 126 Cb 0.38 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1ojx h GLU 126 CO 0.01 0.76 0.30 1.25 -0.73 0.00 0.00 179.01 180.60 1ojx h LEU 127 N 0.53 0.42 -0.48 1.64 5.85 -0.88 -1.73 115.31 120.66 1ojx h LEU 127 Ca 0.12 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1ojx h LEU 127 Cb 0.43 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1ojx h LEU 127 CO 0.02 0.29 0.16 0.00 -0.34 0.00 0.00 178.44 178.57 1ojx h ALA 128 N 1.74 0.58 -0.52 1.25 0.00 -1.31 0.25 119.26 121.25 1ojx h ALA 128 Ca 0.18 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1ojx h ALA 128 Cb 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ojx h ALA 128 CO -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 179.25 178.99 1ojx h ARG 129 N 0.33 0.90 -0.52 0.00 3.08 -1.39 -2.18 114.38 114.60 1ojx h ARG 129 Ca 0.23 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1ojx h ARG 129 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1ojx h ARG 129 CO -0.24 0.92 -0.14 0.82 -1.07 0.00 0.00 179.97 180.26 1ojx h ILE 130 N 0.77 1.27 -0.35 2.04 2.04 -0.90 -2.01 117.51 120.38 1ojx h ILE 130 Ca 0.15 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 1ojx h ILE 130 Cb 0.50 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1ojx h ILE 130 CO 0.02 0.46 0.07 0.50 0.00 0.00 0.00 178.15 179.20 1ojx h LYS 131 N 0.89 0.56 -0.96 2.37 1.63 -0.52 0.78 116.57 121.32 1ojx h LYS 131 Ca 0.13 -0.14 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1ojx h LYS 131 Cb 0.71 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.21 1ojx h LYS 131 CO 0.05 0.62 0.62 -0.09 -3.45 0.00 0.00 179.45 177.21 1ojx h ARG 132 N 0.41 1.17 -0.24 1.90 2.43 -1.28 -2.11 114.38 116.65 1ojx h ARG 132 Ca 0.11 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 1ojx h ARG 132 Cb 0.32 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1ojx h ARG 132 CO 0.00 0.77 -0.59 -0.44 -1.51 0.00 0.00 179.97 178.20 1ojx h ASP 133 N 1.20 0.90 -0.74 -3.80 3.32 -1.10 -2.30 116.42 113.90 1ojx h ASP 133 Ca 0.38 -0.50 0.11 0.00 0.02 0.00 0.00 57.03 57.04 1ojx h ASP 133 Cb 0.01 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.23 1ojx h ASP 133 CO -0.13 1.29 0.36 0.00 -1.72 0.00 0.00 179.24 179.04 1ojx h ALA 134 N 0.72 1.05 -0.27 3.45 0.00 -0.49 -0.35 119.26 123.37 1ojx h ALA 134 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ojx h ALA 134 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ojx h ALA 134 CO 0.13 -0.07 0.07 0.28 0.00 0.00 0.00 179.25 179.65 1ojx h VAL 135 N 0.59 1.21 -0.79 0.00 2.07 -1.33 0.02 116.25 118.02 1ojx h VAL 135 Ca 0.38 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1ojx h VAL 135 Cb 0.45 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1ojx h VAL 135 CO -0.30 0.23 0.43 0.50 0.02 0.00 0.00 177.57 178.45 1ojx h LYS 136 N 0.27 1.10 -0.04 1.57 3.64 -0.89 -2.74 116.57 119.49 1ojx h LYS 136 Ca 0.09 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ojx h LYS 136 Cb 0.28 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1ojx h LYS 136 CO 0.00 0.81 0.00 1.19 -2.27 0.00 0.00 179.45 179.19 1ojx n PHE 137 N -4.42 0.03 -3.63 1.91 3.72 -0.19 -4.97 117.46 109.91 1ojx n PHE 137 Ca 0.07 -0.01 -0.24 0.00 -0.05 0.00 0.00 57.45 57.22 1ojx n PHE 137 Cb 0.09 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.71 1ojx n PHE 137 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ojx n ASP 138 N 0.42 -5.43 -4.41 4.37 2.03 -0.15 -5.01 116.55 108.38 1ojx n ASP 138 Ca 0.18 -0.60 -0.34 0.00 0.52 0.00 0.00 54.79 54.55 1ojx n ASP 138 Cb 0.40 -4.84 -0.13 0.00 -0.72 0.00 0.00 41.12 35.83 1ojx n ASP 138 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ojx s LEU 139 N -7.17 3.02 0.43 -2.67 1.02 -0.35 -5.04 118.68 107.93 1ojx s LEU 139 Ca 0.51 -0.26 -0.26 0.00 0.02 0.00 0.00 54.13 54.14 1ojx s LEU 139 Cb -0.23 -1.74 -0.09 0.00 0.02 0.00 0.00 46.19 44.16 1ojx s LEU 139 CO 0.75 0.10 1.40 -2.84 0.02 0.00 0.00 176.35 175.78 1ojx s PRO 140 N 0.77 3.79 -0.29 1.29 0.02 -1.26 -4.50 135.00 134.82 1ojx s PRO 140 Ca -0.02 2.37 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 1ojx s PRO 140 Cb -0.15 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.62 1ojx s PRO 140 CO 0.02 -0.72 0.19 -1.17 -0.33 0.00 0.00 177.00 174.99 1ojx s LEU 141 N -2.60 4.07 -0.25 -5.54 2.96 -1.26 -0.99 118.68 115.06 1ojx s LEU 141 Ca 0.59 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 1ojx s LEU 141 Cb -0.43 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 1ojx s LEU 141 CO 0.55 -0.08 0.05 -0.69 -1.32 0.00 0.00 176.35 174.86 1ojx s VAL 142 N 1.75 4.02 -0.24 1.68 1.01 0.47 -0.85 120.40 128.24 1ojx s VAL 142 Ca 0.07 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 1ojx s VAL 142 Cb -0.16 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1ojx s VAL 142 CO 0.11 0.29 0.12 -0.69 0.00 0.00 0.00 175.10 174.93 1ojx s VAL 143 N 1.56 4.93 -0.42 2.92 1.01 -0.68 -1.60 120.40 128.12 1ojx s VAL 143 Ca 0.05 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1ojx s VAL 143 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1ojx s VAL 143 CO 0.02 0.35 0.95 0.26 0.00 0.00 0.00 175.10 176.68 1ojx s TRP 144 N 1.21 2.98 -0.43 5.22 0.23 -0.26 -1.33 118.94 126.56 1ojx s TRP 144 Ca 0.06 0.60 -0.08 0.00 -2.03 0.00 0.00 56.10 54.65 1ojx s TRP 144 Cb -0.14 -3.88 0.09 0.00 0.03 0.00 0.00 33.47 29.57 1ojx s TRP 144 CO 0.05 -1.00 0.26 0.45 0.96 0.00 0.00 176.95 177.67 1ojx s SER 145 N 2.11 5.56 -0.63 2.95 0.15 -0.48 -1.31 113.70 122.06 1ojx s SER 145 Ca 0.39 -1.70 0.05 0.00 0.70 0.00 0.00 55.95 55.39 1ojx s SER 145 Cb -0.11 -1.96 0.18 0.00 -1.71 0.00 0.00 66.02 62.43 1ojx s SER 145 CO 0.24 -0.57 0.49 -1.22 1.20 0.00 0.00 173.24 173.37 1ojx n TYR 146 N 4.85 2.35 -1.60 3.44 4.01 -0.74 -4.64 117.16 124.83 1ojx n TYR 146 Ca -0.08 -4.08 -0.49 0.00 -0.16 0.00 0.00 57.90 53.09 1ojx n TYR 146 Cb 0.42 -0.43 -0.05 0.00 -0.31 0.00 0.00 39.34 38.97 1ojx n TYR 146 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1ojx n PRO 147 N 2.01 1.38 -3.64 -0.72 -0.02 -1.26 -4.29 135.00 128.46 1ojx n PRO 147 Ca 0.23 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1ojx n PRO 147 Cb 0.39 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 1ojx n PRO 147 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ojx s ARG 148 N 0.08 0.61 0.40 -0.52 3.52 -0.87 -4.89 118.95 117.28 1ojx s ARG 148 Ca 0.77 0.74 0.00 0.00 -0.13 0.00 0.00 55.73 57.12 1ojx s ARG 148 Cb -0.84 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 32.84 1ojx s ARG 148 CO 0.48 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.31 1ojx n GLY 149 N 2.44 -2.37 7.00 8.12 0.00 -1.26 -2.11 105.19 117.01 1ojx n GLY 149 Ca -0.13 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1ojx n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ojx n GLY 150 N -0.40 3.32 0.09 -0.02 0.00 -1.00 -1.76 105.19 105.42 1ojx n GLY 150 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1ojx n GLY 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ojx n LYS 151 N 14.00 0.44 -2.08 1.61 5.02 -1.26 -4.89 118.16 131.01 1ojx n LYS 151 Ca 0.00 -0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 1ojx n LYS 151 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1ojx n LYS 151 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ojx s VAL 152 N -2.68 3.31 0.00 -0.18 1.01 -0.72 -4.93 120.40 116.21 1ojx s VAL 152 Ca 0.22 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1ojx s VAL 152 Cb 0.19 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1ojx s VAL 152 CO 0.54 0.01 0.00 0.52 0.00 0.00 0.00 175.10 176.17 1ojx n VAL 153 N 4.55 0.00 -3.23 2.92 0.31 -1.26 -4.49 118.33 117.13 1ojx n VAL 153 Ca 0.14 0.13 -0.41 0.00 -0.01 0.00 0.00 64.34 64.20 1ojx n VAL 153 Cb 0.42 -1.07 -0.08 0.00 -0.91 0.00 0.00 33.84 32.21 1ojx n VAL 153 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ojx s ASN 154 N -3.62 6.38 0.25 4.52 0.01 -1.26 -4.95 114.94 116.27 1ojx s ASN 154 Ca 0.00 0.27 0.26 0.00 -0.71 0.00 0.00 52.86 52.68 1ojx s ASN 154 Cb 0.00 -2.28 0.84 0.00 0.41 0.00 0.00 41.25 40.22 1ojx s ASN 154 CO 0.00 -0.39 1.76 -0.33 -1.51 0.00 0.00 177.10 176.63 1ojx h GLU 155 N 8.23 0.00 -0.37 -0.60 5.08 -1.94 -2.87 114.58 122.11 1ojx h GLU 155 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ojx h GLU 155 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ojx h GLU 155 CO 0.75 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.01 1ojx n THR 156 N -2.34 0.48 -1.85 1.13 -2.24 -1.26 -4.38 114.28 103.81 1ojx n THR 156 Ca 0.04 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1ojx n THR 156 Cb 0.39 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.54 1ojx n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ojx s ALA 157 N -1.52 3.57 0.23 6.98 0.00 -1.08 -4.39 121.76 125.55 1ojx s ALA 157 Ca 0.38 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.81 1ojx s ALA 157 Cb 0.22 -3.59 0.37 0.00 0.00 0.00 0.00 23.12 20.12 1ojx s ALA 157 CO 0.31 -0.99 1.79 -1.35 0.00 0.00 0.00 175.76 175.53 1ojx h PRO 158 N 3.19 0.65 0.00 0.00 0.11 -1.91 -1.68 132.00 132.36 1ojx h PRO 158 Ca -0.50 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 1ojx h PRO 158 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ojx h PRO 158 CO 0.65 0.43 -0.44 1.05 -0.21 0.00 0.00 178.00 179.49 1ojx h GLU 159 N 0.67 0.00 -0.07 1.05 9.09 -1.97 -2.25 114.58 121.11 1ojx h GLU 159 Ca 0.37 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.56 1ojx h GLU 159 Cb 0.38 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.50 1ojx h GLU 159 CO -0.27 0.44 -0.81 0.82 0.05 0.00 0.00 179.01 179.24 1ojx h ILE 160 N 0.00 1.31 -0.47 -1.06 1.08 -1.67 -2.20 117.51 114.50 1ojx h ILE 160 Ca -0.00 -2.07 -0.13 0.00 -0.39 0.00 0.00 64.86 62.27 1ojx h ILE 160 Cb 0.80 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.79 1ojx h ILE 160 CO 0.06 0.64 -0.20 0.58 -0.69 0.00 0.00 178.15 178.53 1ojx h VAL 161 N 0.33 1.27 -0.74 1.67 2.07 -1.34 -0.98 116.25 118.54 1ojx h VAL 161 Ca -0.08 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 1ojx h VAL 161 Cb 1.47 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1ojx h VAL 161 CO 0.16 0.47 0.34 0.00 0.02 0.00 0.00 177.57 178.56 1ojx h ALA 162 N 0.93 0.95 -0.72 1.67 0.00 -1.47 -1.71 119.26 118.91 1ojx h ALA 162 Ca 0.11 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1ojx h ALA 162 Cb 0.77 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ojx h ALA 162 CO 0.06 0.53 0.18 -0.92 0.00 0.00 0.00 179.25 179.11 1ojx h TYR 163 N 1.04 1.21 -0.59 0.00 -0.00 -1.24 -2.04 116.97 115.35 1ojx h TYR 163 Ca 0.25 -0.14 0.03 0.00 -0.00 0.00 0.00 58.73 58.87 1ojx h TYR 163 Cb 0.15 -0.34 -0.04 0.00 -0.00 0.00 0.00 36.73 36.50 1ojx h TYR 163 CO 0.01 0.97 0.35 0.00 -0.00 0.00 0.00 178.16 179.50 1ojx h ALA 164 N 1.10 0.77 -0.18 1.82 0.00 -0.86 -1.24 119.26 120.67 1ojx h ALA 164 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ojx h ALA 164 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ojx h ALA 164 CO 0.00 0.08 0.09 0.00 0.00 0.00 0.00 179.25 179.42 1ojx h ALA 165 N 1.27 0.23 -0.52 0.00 0.00 -1.10 -2.89 119.26 116.26 1ojx h ALA 165 Ca 0.24 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1ojx h ALA 165 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ojx h ALA 165 CO -0.11 -0.21 -0.16 -0.09 0.00 0.00 0.00 179.25 178.68 1ojx h ARG 166 N 0.17 1.01 -0.61 0.00 9.65 -1.09 -2.58 114.38 120.94 1ojx h ARG 166 Ca 0.06 -0.40 0.01 0.00 -1.10 0.00 0.00 59.98 58.55 1ojx h ARG 166 Cb 0.11 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 1ojx h ARG 166 CO -0.01 1.08 0.40 0.82 2.80 0.00 0.00 179.97 185.07 1ojx h ILE 167 N 0.89 1.16 -0.85 1.20 2.04 -1.24 -0.48 117.51 120.23 1ojx h ILE 167 Ca 0.13 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1ojx h ILE 167 Cb 0.73 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1ojx h ILE 167 CO 0.06 0.15 0.56 0.00 0.00 0.00 0.00 178.15 178.92 1ojx h ALA 168 N 1.22 1.08 -0.22 1.87 0.00 -1.35 -1.59 119.26 120.27 1ojx h ALA 168 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ojx h ALA 168 Cb -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1ojx h ALA 168 CO -0.05 0.47 0.14 1.25 0.00 0.00 0.00 179.25 181.06 1ojx h LEU 169 N 1.14 0.26 -1.31 0.00 5.85 -1.05 -1.50 115.31 118.69 1ojx h LEU 169 Ca 0.31 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1ojx h LEU 169 Cb -0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1ojx h LEU 169 CO -0.07 0.21 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.69 1ojx h GLU 170 N 0.28 0.20 -0.00 1.25 4.39 -0.53 -2.85 114.58 117.31 1ojx h GLU 170 Ca 0.08 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ojx h GLU 170 Cb -0.01 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1ojx h GLU 170 CO -0.02 0.41 -0.31 1.28 -1.16 0.00 0.00 179.01 179.21 1ojx n LEU 171 N -4.21 0.42 0.00 1.33 4.77 -0.65 -4.95 117.00 113.70 1ojx n LEU 171 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1ojx n LEU 171 Cb 0.32 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1ojx n LEU 171 CO 0.39 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1ojx n GLY 172 N 1.46 1.39 3.73 -0.72 0.00 -1.08 -4.98 105.19 105.00 1ojx n GLY 172 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ojx n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ojx n ALA 173 N -0.93 1.72 0.06 4.61 0.00 -0.58 -4.90 120.51 120.49 1ojx n ALA 173 Ca 0.00 0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.83 1ojx n ALA 173 Cb 0.00 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.05 1ojx n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ojx n ASP 174 N 0.21 0.54 -3.67 0.00 8.00 -0.03 -4.81 116.55 116.78 1ojx n ASP 174 Ca 0.05 0.21 -0.10 0.00 0.71 0.00 0.00 54.79 55.66 1ojx n ASP 174 Cb 0.39 0.98 -0.04 0.00 -0.02 0.00 0.00 41.12 42.43 1ojx n ASP 174 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ojx s ALA 175 N -3.37 -0.92 0.09 2.24 0.00 -1.08 -4.33 121.76 114.39 1ojx s ALA 175 Ca -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 1ojx s ALA 175 Cb 0.11 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1ojx s ALA 175 CO 0.83 -0.70 0.09 0.00 0.00 0.00 0.00 175.76 175.99 1ojx s MET 176 N -3.83 0.81 -0.08 0.00 0.23 -0.52 -1.68 119.30 114.23 1ojx s MET 176 Ca 0.05 -1.17 0.00 0.00 -1.03 0.00 0.00 55.69 53.55 1ojx s MET 176 Cb 0.01 0.28 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 1ojx s MET 176 CO -0.09 -0.23 -0.06 0.21 -2.03 0.00 0.00 175.02 172.83 1ojx s LYS 177 N -3.93 1.15 0.11 3.16 2.20 -0.44 -0.59 119.74 121.41 1ojx s LYS 177 Ca 0.11 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1ojx s LYS 177 Cb 0.06 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 1ojx s LYS 177 CO -0.07 -0.19 -0.01 0.96 -0.36 0.00 0.00 175.35 175.68 1ojx s ILE 178 N 1.42 0.44 0.43 5.43 -4.36 -0.91 -1.38 121.20 122.28 1ojx s ILE 178 Ca -0.02 -1.91 -0.23 0.00 -0.26 0.00 0.00 60.65 58.23 1ojx s ILE 178 Cb -0.13 -1.83 -0.09 0.00 1.25 0.00 0.00 42.46 41.66 1ojx s ILE 178 CO -0.04 -0.72 1.04 -0.54 0.24 0.00 0.00 174.94 174.93 1ojx s LYS 179 N -3.92 4.04 0.33 0.37 1.02 -1.26 -0.80 119.74 119.52 1ojx s LYS 179 Ca 0.16 1.45 -0.27 0.00 0.02 0.00 0.00 55.97 57.34 1ojx s LYS 179 Cb 0.07 -2.38 -0.09 0.00 -0.52 0.00 0.00 37.83 34.90 1ojx s LYS 179 CO -0.02 -0.24 1.05 -0.47 -0.92 0.00 0.00 175.35 174.74 1ojx s TYR 180 N -1.78 3.52 -0.60 3.18 5.04 -1.26 -4.88 117.35 120.56 1ojx s TYR 180 Ca 0.61 1.71 0.25 0.00 -2.44 0.00 0.00 57.07 57.20 1ojx s TYR 180 Cb -0.20 -3.15 0.53 0.00 0.35 0.00 0.00 41.96 39.49 1ojx s TYR 180 CO 0.25 -0.39 1.58 1.79 -1.34 0.00 0.00 175.55 177.44 1ojx h THR 181 N 2.70 0.00 0.00 4.34 1.35 -1.95 -3.44 112.91 115.90 1ojx h THR 181 Ca -0.47 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1ojx h THR 181 Cb 1.21 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1ojx h THR 181 CO 0.65 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1ojx n GLY 182 N 1.26 0.37 3.43 5.82 0.00 -1.26 -4.88 105.19 109.92 1ojx n GLY 182 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1ojx n GLY 182 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ojx s ASP 183 N -2.53 -0.52 0.42 1.61 -4.77 -1.26 -5.07 116.67 104.54 1ojx s ASP 183 Ca 0.00 0.80 0.16 0.00 -3.30 0.00 0.00 52.55 50.21 1ojx s ASP 183 Cb 0.00 0.80 0.91 0.00 -1.09 0.00 0.00 42.92 43.54 1ojx s ASP 183 CO 0.00 -0.36 1.91 1.55 0.70 0.00 0.00 175.17 178.97 1ojx h PRO 184 N 4.36 0.00 -0.22 2.11 0.13 -1.98 -2.55 132.00 133.85 1ojx h PRO 184 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 1ojx h PRO 184 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ojx h PRO 184 CO 0.27 0.28 -0.08 -0.22 -0.23 0.00 0.00 178.00 178.02 1ojx h LYS 185 N 0.00 0.44 0.01 0.86 3.64 -1.97 -1.52 116.57 118.03 1ojx h LYS 185 Ca -0.00 -0.18 -0.22 0.00 -1.27 0.00 0.00 60.65 58.98 1ojx h LYS 185 Cb 0.52 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1ojx h LYS 185 CO 0.04 0.70 -0.94 1.79 -2.27 0.00 0.00 179.45 178.77 1ojx h THR 186 N 0.16 1.47 -0.16 1.00 1.35 -1.99 -3.11 112.91 111.62 1ojx h THR 186 Ca 0.05 -2.62 -0.04 0.00 -0.55 0.00 0.00 66.41 63.26 1ojx h THR 186 Cb 0.55 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.46 1ojx h THR 186 CO 0.03 0.77 -0.08 0.15 -0.25 0.00 0.00 175.52 176.14 1ojx h PHE 187 N 0.15 0.24 -0.13 4.73 3.57 -1.43 -2.49 116.94 121.58 1ojx h PHE 187 Ca -0.06 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1ojx h PHE 187 Cb 1.58 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 1ojx h PHE 187 CO 0.04 0.32 -0.19 0.66 -2.23 0.00 0.00 178.31 176.91 1ojx h SER 188 N 0.23 0.21 -0.47 0.41 4.64 -1.20 -1.78 113.55 115.58 1ojx h SER 188 Ca 0.05 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1ojx h SER 188 Cb 0.29 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1ojx h SER 188 CO 0.01 0.42 0.10 -0.25 -0.87 0.00 0.00 176.83 176.24 1ojx h TRP 189 N 0.20 0.81 -0.56 4.77 2.91 -1.50 -0.36 115.95 122.21 1ojx h TRP 189 Ca 0.04 -0.10 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 1ojx h TRP 189 Cb 0.46 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.86 1ojx h TRP 189 CO 0.01 0.74 0.31 0.00 -1.03 0.00 0.00 178.44 178.46 1ojx h ALA 190 N 0.97 0.71 -0.92 2.65 0.00 -1.41 -1.71 119.26 119.56 1ojx h ALA 190 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ojx h ALA 190 Cb 0.35 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1ojx h ALA 190 CO 0.00 0.23 0.59 0.28 0.00 0.00 0.00 179.25 180.36 1ojx h VAL 191 N 0.75 1.14 -0.37 0.00 2.07 -1.19 -2.80 116.25 115.85 1ojx h VAL 191 Ca 0.20 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1ojx h VAL 191 Cb 0.04 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 1ojx h VAL 191 CO -0.03 0.21 0.08 0.50 0.02 0.00 0.00 177.57 178.35 1ojx h LYS 192 N 1.14 0.59 0.00 1.57 1.63 -0.53 -3.01 116.57 117.96 1ojx h LYS 192 Ca 0.37 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1ojx h LYS 192 Cb 0.03 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1ojx h LYS 192 CO -0.13 0.64 0.00 -0.39 -3.45 0.00 0.00 179.45 176.12 1ojx h VAL 193 N 0.44 0.00 0.00 2.00 -1.51 -1.20 -1.50 116.25 114.49 1ojx h VAL 193 Ca 0.11 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1ojx h VAL 193 Cb 0.32 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1ojx h VAL 193 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1ojx n ALA 194 N -1.91 1.85 -0.93 5.19 0.00 -1.07 -4.63 120.51 119.02 1ojx n ALA 194 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ojx n ALA 194 Cb 0.32 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ojx n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ojx n GLY 195 N 0.41 4.04 0.03 0.00 0.00 -0.57 -1.96 105.19 107.14 1ojx n GLY 195 Ca 0.03 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.25 1ojx n GLY 195 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ojx n LYS 196 N 14.00 0.05 -3.18 1.61 5.02 -1.26 -4.74 118.16 129.66 1ojx n LYS 196 Ca 0.00 0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 56.08 1ojx n LYS 196 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 1ojx n LYS 196 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ojx s VAL 197 N -3.05 5.07 0.47 -0.18 1.01 -0.83 -5.06 120.40 117.83 1ojx s VAL 197 Ca 0.09 1.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.96 1ojx s VAL 197 Cb 0.13 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1ojx s VAL 197 CO 0.40 0.16 1.10 -2.16 0.00 0.00 0.00 175.10 174.60 1ojx s PRO 198 N 1.62 3.79 -0.14 2.72 0.04 -1.26 -4.84 135.00 136.94 1ojx s PRO 198 Ca 0.27 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 1ojx s PRO 198 Cb -0.16 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1ojx s PRO 198 CO 0.11 -0.47 -0.10 0.08 0.04 0.00 0.00 177.00 176.66 1ojx s VAL 199 N -1.72 3.37 -0.12 -0.36 1.01 -1.26 -1.43 120.40 119.88 1ojx s VAL 199 Ca 0.65 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1ojx s VAL 199 Cb -0.23 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1ojx s VAL 199 CO 0.28 0.51 -0.03 -0.76 0.00 0.00 0.00 175.10 175.10 1ojx s LEU 200 N 0.34 3.32 0.04 3.92 1.43 0.25 -1.10 118.68 126.88 1ojx s LEU 200 Ca -0.08 -0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 1ojx s LEU 200 Cb -0.15 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1ojx s LEU 200 CO 0.05 0.26 1.36 -0.32 0.23 0.00 0.00 176.35 177.93 1ojx s MET 201 N -0.20 4.32 0.20 1.70 -2.45 -0.50 -2.14 119.30 120.23 1ojx s MET 201 Ca 0.04 1.96 -0.30 0.00 -1.25 0.00 0.00 55.69 56.14 1ojx s MET 201 Cb -0.13 -3.44 -0.09 0.00 1.25 0.00 0.00 34.83 32.43 1ojx s MET 201 CO 0.02 -0.48 1.27 0.45 1.05 0.00 0.00 175.02 177.33 1ojx s SER 202 N 1.51 6.96 0.01 1.11 0.15 0.02 -1.06 113.70 122.41 1ojx s SER 202 Ca 0.63 2.35 -0.22 0.00 0.70 0.00 0.00 55.95 59.41 1ojx s SER 202 Cb -0.33 -2.61 -0.17 0.00 -1.71 0.00 0.00 66.02 61.20 1ojx s SER 202 CO 0.28 -0.47 1.28 1.23 1.20 0.00 0.00 173.24 176.76 1ojx h GLY 203 N 5.27 0.25 0.00 9.45 0.00 -1.71 -3.41 103.07 112.93 1ojx h GLY 203 Ca -0.45 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1ojx h GLY 203 CO 0.76 0.25 0.00 0.61 0.00 0.00 0.00 176.54 178.16 1ojx n GLY 204 N 0.32 -2.96 3.72 4.60 0.00 -1.26 -4.94 105.19 104.66 1ojx n GLY 204 Ca -0.07 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1ojx n GLY 204 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ojx s PRO 205 N -0.85 2.01 0.23 1.61 0.04 -1.26 -4.45 135.00 132.32 1ojx s PRO 205 Ca 0.00 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 1ojx s PRO 205 Cb 0.00 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.59 1ojx s PRO 205 CO 0.00 -1.91 1.69 0.21 0.04 0.00 0.00 177.00 177.03 1ojx s LYS 206 N -4.13 4.12 0.59 4.56 2.20 -1.26 -4.83 119.74 120.99 1ojx s LYS 206 Ca 0.71 2.60 -0.11 0.00 -0.36 0.00 0.00 55.97 58.81 1ojx s LYS 206 Cb -0.26 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1ojx s LYS 206 CO 0.48 -0.72 1.00 0.95 -0.36 0.00 0.00 175.35 176.69 1ojx s THR 207 N 0.89 4.70 0.19 3.43 -4.23 -1.26 -4.99 115.64 114.37 1ojx s THR 207 Ca 0.72 0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 61.97 1ojx s THR 207 Cb -0.49 -3.85 0.09 0.00 1.34 0.00 0.00 72.50 69.59 1ojx s THR 207 CO 0.36 -1.05 1.78 0.11 -0.54 0.00 0.00 174.62 175.27 1ojx h LYS 208 N -0.08 0.46 -5.37 3.99 1.57 -1.99 -3.44 116.57 111.71 1ojx h LYS 208 Ca -0.45 -0.03 -0.43 0.00 -1.87 0.00 0.00 60.65 57.88 1ojx h LYS 208 Cb 1.19 -0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.25 1ojx h LYS 208 CO 0.62 0.30 -0.70 0.95 -0.57 0.00 0.00 179.45 180.06 1ojx s THR 209 N -6.12 1.48 0.25 -0.16 -4.23 -1.26 -5.05 115.64 100.55 1ojx s THR 209 Ca -0.13 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.25 1ojx s THR 209 Cb 0.14 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.83 1ojx s THR 209 CO 0.74 -0.47 1.68 -0.33 -0.54 0.00 0.00 174.62 175.69 1ojx h GLU 210 N 2.49 0.61 -0.23 3.99 5.08 -2.01 -2.98 114.58 121.53 1ojx h GLU 210 Ca -0.38 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 57.69 1ojx h GLU 210 Cb 1.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1ojx h GLU 210 CO 0.64 0.80 -0.06 1.49 -1.00 0.00 0.00 179.01 180.89 1ojx h GLU 211 N 0.53 0.35 -0.47 2.33 4.57 -1.98 -1.75 114.58 118.15 1ojx h GLU 211 Ca 0.08 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1ojx h GLU 211 Cb 0.71 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1ojx h GLU 211 CO 0.05 0.43 0.13 -0.44 -1.18 0.00 0.00 179.01 178.00 1ojx h ASP 212 N 0.33 0.70 -0.13 1.04 3.32 -1.94 -1.03 116.42 118.71 1ojx h ASP 212 Ca 0.07 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1ojx h ASP 212 Cb 0.32 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ojx h ASP 212 CO 0.01 0.74 -0.10 0.15 -1.72 0.00 0.00 179.24 178.32 1ojx h PHE 213 N 0.63 0.36 -0.92 4.55 3.57 -1.47 -2.54 116.94 121.12 1ojx h PHE 213 Ca 0.15 -0.10 0.18 0.00 3.53 0.00 0.00 57.97 61.73 1ojx h PHE 213 Cb 0.30 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.88 1ojx h PHE 213 CO 0.02 0.67 0.59 -0.07 -2.23 0.00 0.00 178.31 177.29 1ojx h LEU 214 N -0.06 0.59 -0.53 0.59 3.38 -1.28 -1.39 115.31 116.61 1ojx h LEU 214 Ca 0.03 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1ojx h LEU 214 Cb 0.60 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ojx h LEU 214 CO 0.03 0.26 -0.37 0.50 0.09 0.00 0.00 178.44 178.95 1ojx h LYS 215 N 0.60 0.79 -0.69 1.13 3.64 -1.00 -1.77 116.57 119.26 1ojx h LYS 215 Ca 0.48 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1ojx h LYS 215 Cb 0.93 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1ojx h LYS 215 CO -0.23 1.02 0.39 1.96 -2.27 0.00 0.00 179.45 180.32 1ojx h GLN 216 N 0.65 0.96 -0.59 1.90 4.20 -0.87 -2.48 115.11 118.88 1ojx h GLN 216 Ca 0.06 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1ojx h GLN 216 Cb 0.92 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1ojx h GLN 216 CO 0.08 0.71 0.14 0.28 -0.67 0.00 0.00 178.83 179.38 1ojx h VAL 217 N 0.95 1.25 -0.79 -0.54 2.07 -1.12 -1.74 116.25 116.32 1ojx h VAL 217 Ca 0.24 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1ojx h VAL 217 Cb 0.02 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1ojx h VAL 217 CO -0.04 0.34 0.48 -0.08 0.02 0.00 0.00 177.57 178.28 1ojx h GLU 218 N 0.85 0.84 -0.55 1.57 4.81 -1.14 -1.81 114.58 119.16 1ojx h GLU 218 Ca 0.18 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1ojx h GLU 218 Cb 0.35 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1ojx h GLU 218 CO 0.00 0.55 -0.11 0.78 -0.73 0.00 0.00 179.01 179.50 1ojx h GLY 219 N 0.86 1.13 1.00 1.92 0.00 -1.04 -1.69 103.07 105.25 1ojx h GLY 219 Ca 0.35 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1ojx h GLY 219 CO -0.18 0.84 0.36 -2.08 0.00 0.00 0.00 176.54 175.47 1ojx h VAL 220 N 0.92 1.20 -0.27 4.60 2.07 -0.88 -1.10 116.25 122.79 1ojx h VAL 220 Ca 0.14 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1ojx h VAL 220 Cb 0.69 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1ojx h VAL 220 CO 0.05 0.22 -0.12 -0.07 0.02 0.00 0.00 177.57 177.67 1ojx h LEU 221 N 0.87 0.57 -1.14 2.57 3.38 -1.22 -2.73 115.31 117.61 1ojx h LEU 221 Ca 0.23 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 57.97 1ojx h LEU 221 Cb 0.03 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.54 1ojx h LEU 221 CO -0.04 0.84 0.61 -0.08 0.09 0.00 0.00 178.44 179.87 1ojx h GLU 222 N 0.30 0.72 0.00 1.13 4.81 -1.13 -1.82 114.58 118.59 1ojx h GLU 222 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ojx h GLU 222 Cb 0.62 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1ojx h GLU 222 CO 0.04 0.48 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 1ojx n ALA 223 N -2.38 2.35 -0.23 2.92 0.00 -0.43 -4.89 120.51 117.86 1ojx n ALA 223 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ojx n ALA 223 Cb 0.53 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ojx n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ojx n GLY 224 N 0.82 0.88 3.82 0.00 0.00 -0.68 -4.39 105.19 105.64 1ojx n GLY 224 Ca 0.15 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1ojx n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ojx s ALA 225 N -2.00 2.66 0.25 4.61 0.00 -1.05 -4.93 121.76 121.29 1ojx s ALA 225 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.10 1ojx s ALA 225 Cb 0.00 -3.17 0.28 0.00 0.00 0.00 0.00 23.12 20.23 1ojx s ALA 225 CO 0.00 -1.25 1.57 1.25 0.00 0.00 0.00 175.76 177.32 1ojx h LEU 226 N -0.74 0.07 0.00 0.00 5.85 -1.44 -3.44 115.31 115.61 1ojx h LEU 226 Ca -0.44 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1ojx h LEU 226 Cb 1.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ojx h LEU 226 CO 0.57 0.70 0.00 0.61 -0.34 0.00 0.00 178.44 179.99 1ojx n GLY 227 N 0.36 -0.41 3.11 3.75 0.00 -1.23 -1.09 105.19 109.67 1ojx n GLY 227 Ca -0.01 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1ojx n GLY 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ojx s ILE 228 N -4.00 0.75 -0.36 -0.61 -4.36 -0.54 -1.41 121.20 110.67 1ojx s ILE 228 Ca 0.00 -1.25 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 1ojx s ILE 228 Cb 0.00 -0.88 0.10 0.00 1.25 0.00 0.00 42.46 42.93 1ojx s ILE 228 CO 0.00 -0.39 0.10 0.00 0.24 0.00 0.00 174.94 174.89 1ojx s ALA 229 N -1.60 2.98 -0.08 2.27 0.00 -0.22 -1.25 121.76 123.86 1ojx s ALA 229 Ca -0.05 -2.43 0.01 0.00 0.00 0.00 0.00 51.96 49.49 1ojx s ALA 229 Cb -0.08 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1ojx s ALA 229 CO 0.01 -1.67 -0.08 0.54 0.00 0.00 0.00 175.76 174.55 1ojx s VAL 230 N 1.04 3.57 0.00 0.00 0.11 -0.02 -1.81 120.40 123.28 1ojx s VAL 230 Ca 0.07 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1ojx s VAL 230 Cb -0.21 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 1ojx s VAL 230 CO -0.06 0.58 0.00 0.61 -3.33 0.00 0.00 175.10 172.90 1ojx n GLY 231 N 2.48 0.53 0.36 6.54 0.00 -1.26 -0.62 105.19 113.22 1ojx n GLY 231 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1ojx n GLY 231 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ojx h ARG 232 N 0.00 0.91 0.00 1.61 3.08 -1.86 -1.04 114.38 117.08 1ojx h ARG 232 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ojx h ARG 232 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1ojx h ARG 232 CO 0.00 0.60 0.00 0.09 -1.07 0.00 0.00 179.97 179.59 1ojx n ASN 233 N -4.66 0.00 -0.02 7.04 3.02 -1.26 -1.63 115.26 117.76 1ojx n ASN 233 Ca 0.19 0.06 -0.03 0.00 -0.03 0.00 0.00 54.58 54.77 1ojx n ASN 233 Cb 0.38 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 1ojx n ASN 233 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ojx n VAL 234 N -1.28 0.73 0.72 2.41 0.31 -0.49 -4.84 118.33 115.90 1ojx n VAL 234 Ca 0.07 0.28 0.12 0.00 -0.01 0.00 0.00 64.34 64.80 1ojx n VAL 234 Cb 0.13 -1.72 0.48 0.00 -0.91 0.00 0.00 33.84 31.82 1ojx n VAL 234 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84 1ojx n TRP 235 N -3.34 0.35 1.50 3.52 4.27 -0.66 -2.23 117.44 120.84 1ojx n TRP 235 Ca -0.05 0.11 0.14 0.00 -3.89 0.00 0.00 57.50 53.82 1ojx n TRP 235 Cb 0.17 -0.68 0.65 0.00 -1.36 0.00 0.00 31.31 30.09 1ojx n TRP 235 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 1ojx n GLN 236 N -1.79 0.83 -3.75 -2.67 7.27 -0.64 -4.67 117.38 111.95 1ojx n GLN 236 Ca 0.05 -0.27 -0.35 0.00 0.07 0.00 0.00 57.00 56.50 1ojx n GLN 236 Cb 0.31 -1.49 -0.05 0.00 2.41 0.00 0.00 30.24 31.42 1ojx n GLN 236 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ojx s ARG 237 N -2.36 3.59 0.36 3.69 0.52 -0.95 -4.44 118.95 119.37 1ojx s ARG 237 Ca 0.32 -0.06 0.11 0.00 -0.52 0.00 0.00 55.73 55.58 1ojx s ARG 237 Cb 0.20 -3.08 0.70 0.00 0.52 0.00 0.00 34.95 33.29 1ojx s ARG 237 CO 0.44 0.65 1.83 0.00 0.02 0.00 0.00 175.30 178.24 1ojx h ARG 238 N 3.98 0.11 -1.39 3.54 3.08 -1.87 -2.86 114.38 118.97 1ojx h ARG 238 Ca -0.50 -0.04 -0.71 0.00 0.07 0.00 0.00 59.98 58.80 1ojx h ARG 238 Cb 1.20 -0.01 -0.28 0.00 0.08 0.00 0.00 29.97 30.96 1ojx h ARG 238 CO 0.66 0.41 0.95 -0.40 -1.07 0.00 0.00 179.97 180.52 1ojx n ASP 239 N -4.14 7.64 -0.02 7.04 5.75 -1.26 -4.82 116.55 126.74 1ojx n ASP 239 Ca -0.02 -3.80 -0.09 0.00 -0.01 0.00 0.00 54.79 50.87 1ojx n ASP 239 Cb 0.38 -1.02 -0.03 0.00 -1.03 0.00 0.00 41.12 39.42 1ojx n ASP 239 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ojx h ALA 240 N 2.38 0.04 -0.46 2.12 0.00 -1.71 -1.81 119.26 119.83 1ojx h ALA 240 Ca 0.59 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.52 1ojx h ALA 240 Cb 0.51 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1ojx h ALA 240 CO 1.53 -0.54 0.07 1.25 0.00 0.00 0.00 179.25 181.57 1ojx h LEU 241 N -0.09 0.73 -0.52 0.00 5.85 -1.88 -0.34 115.31 119.05 1ojx h LEU 241 Ca 0.10 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ojx h LEU 241 Cb 0.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ojx h LEU 241 CO -0.23 0.80 0.32 0.50 -0.34 0.00 0.00 178.44 179.49 1ojx h LYS 242 N 0.62 0.70 -0.25 1.25 3.64 -1.91 -0.94 116.57 119.69 1ojx h LYS 242 Ca 0.14 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 1ojx h LYS 242 Cb 0.38 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ojx h LYS 242 CO 0.01 0.50 -0.46 0.35 -2.27 0.00 0.00 179.45 177.58 1ojx h PHE 243 N 0.70 0.80 -0.81 1.91 3.57 -1.21 -2.34 116.94 119.55 1ojx h PHE 243 Ca 0.19 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ojx h PHE 243 Cb -0.03 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 1ojx h PHE 243 CO -0.03 1.00 0.52 0.00 -2.23 0.00 0.00 178.31 177.57 1ojx h ALA 244 N 0.96 1.03 -0.23 2.41 0.00 -0.80 -1.56 119.26 121.07 1ojx h ALA 244 Ca 0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1ojx h ALA 244 Cb 1.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ojx h ALA 244 CO 0.09 0.46 -0.20 0.00 0.00 0.00 0.00 179.25 179.61 1ojx h ARG 245 N 1.11 0.40 -0.41 0.00 3.08 -1.02 -1.44 114.38 116.11 1ojx h ARG 245 Ca 0.30 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 1ojx h ARG 245 Cb -0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1ojx h ARG 245 CO -0.06 0.59 -0.06 0.00 -1.07 0.00 0.00 179.97 179.37 1ojx h ALA 246 N 1.42 1.13 -0.38 0.04 0.00 -0.99 -2.00 119.26 118.49 1ojx h ALA 246 Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1ojx h ALA 246 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ojx h ALA 246 CO 0.04 0.55 -0.14 -0.07 0.00 0.00 0.00 179.25 179.63 1ojx h LEU 247 N 0.64 0.78 -0.43 0.00 3.38 -0.85 -2.28 115.31 116.54 1ojx h LEU 247 Ca 0.12 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1ojx h LEU 247 Cb 0.49 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1ojx h LEU 247 CO 0.03 0.99 0.23 0.00 0.09 0.00 0.00 178.44 179.77 1ojx h ALA 248 N 0.82 0.54 -0.81 1.53 0.00 -1.20 -0.17 119.26 119.97 1ojx h ALA 248 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ojx h ALA 248 Cb 0.67 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1ojx h ALA 248 CO 0.05 -0.11 0.46 1.49 0.00 0.00 0.00 179.25 181.14 1ojx h GLU 249 N 0.46 1.11 0.11 0.00 4.57 -1.29 -0.81 114.58 118.74 1ojx h GLU 249 Ca 0.18 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1ojx h GLU 249 Cb 0.06 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1ojx h GLU 249 CO -0.11 0.80 -0.05 1.25 -1.18 0.00 0.00 179.01 179.71 1ojx h LEU 250 N 1.12 -0.13 -0.21 1.64 5.85 -1.05 -2.94 115.31 119.59 1ojx h LEU 250 Ca 0.29 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1ojx h LEU 250 Cb -0.01 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1ojx h LEU 250 CO -0.05 0.32 -0.31 0.58 -0.34 0.00 0.00 178.44 178.65 1ojx h VAL 251 N -0.62 1.33 0.00 1.05 2.07 -0.95 -3.28 116.25 115.85 1ojx h VAL 251 Ca -0.02 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1ojx h VAL 251 Cb 0.49 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1ojx h VAL 251 CO 0.03 0.47 -0.45 -1.22 0.02 0.00 0.00 177.57 176.41 1ojx n TYR 252 N -4.32 0.20 0.00 1.57 4.01 -0.32 -4.83 117.16 113.47 1ojx n TYR 252 Ca -0.05 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ojx n TYR 252 Cb 0.48 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1ojx n TYR 252 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81