#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij6 s THR 3 N 0.00 2.88 -0.10 -5.08 2.01 -1.26 -5.02 115.64 109.06 3ij6 s THR 3 Ca 0.00 0.44 -0.15 0.00 0.31 0.00 0.00 61.69 62.29 3ij6 s THR 3 Cb 0.00 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 3ij6 s THR 3 CO 0.00 -0.23 0.37 -0.54 -0.69 0.00 0.00 174.62 173.54 3ij6 s LYS 4 N -3.91 4.16 -0.40 4.92 1.02 0.29 -4.65 119.74 121.17 3ij6 s LYS 4 Ca 0.71 0.28 -0.10 0.00 0.02 0.00 0.00 55.97 56.87 3ij6 s LYS 4 Cb -0.24 -3.36 0.05 0.00 -0.52 0.00 0.00 37.83 33.75 3ij6 s LYS 4 CO 0.41 0.36 0.23 0.42 -0.92 0.00 0.00 175.35 175.85 3ij6 s ILE 5 N 0.04 4.45 -0.83 2.17 -1.09 0.12 -1.02 121.20 125.04 3ij6 s ILE 5 Ca 0.21 -1.09 -0.25 0.00 -2.23 0.00 0.00 60.65 57.30 3ij6 s ILE 5 Cb -0.15 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.20 3ij6 s ILE 5 CO 0.08 -0.36 1.28 -0.62 -1.23 0.00 0.00 174.94 174.09 3ij6 s ASP 6 N 1.82 6.30 0.12 3.58 -1.08 -0.15 -4.43 116.67 122.83 3ij6 s ASP 6 Ca 0.02 -0.95 0.22 0.00 -0.52 0.00 0.00 52.55 51.32 3ij6 s ASP 6 Cb -0.21 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.60 3ij6 s ASP 6 CO 0.05 -1.63 1.68 0.00 0.52 0.00 0.00 175.17 175.80 3ij6 n ALA 7 N 8.79 1.89 -3.22 3.66 0.00 0.32 -0.20 120.51 131.75 3ij6 n ALA 7 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 3ij6 n ALA 7 Cb 0.49 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 3ij6 n ALA 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3ij6 n TYR 8 N -1.88 -0.79 -4.11 0.00 -0.00 -1.26 -4.67 117.16 104.44 3ij6 n TYR 8 Ca 0.04 -3.33 -0.22 0.00 -0.00 0.00 0.00 57.90 54.39 3ij6 n TYR 8 Cb 0.27 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.34 39.55 3ij6 n TYR 8 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3ij6 s ALA 9 N -0.64 3.59 0.16 2.98 0.00 -0.73 -1.50 121.76 125.62 3ij6 s ALA 9 Ca 0.34 -1.40 0.11 0.00 0.00 0.00 0.00 51.96 51.00 3ij6 s ALA 9 Cb 0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3ij6 s ALA 9 CO -0.14 0.27 -0.22 -1.01 0.00 0.00 0.00 175.76 174.65 3ij6 s HIS 10 N -2.11 2.37 0.14 0.00 0.09 0.12 -1.36 115.29 114.54 3ij6 s HIS 10 Ca 0.33 -0.34 -0.06 0.00 -0.00 0.00 0.00 55.06 54.99 3ij6 s HIS 10 Cb -0.08 -1.22 -0.02 0.00 -0.00 0.00 0.00 32.58 31.26 3ij6 s HIS 10 CO 0.25 0.44 0.19 -1.50 -0.00 0.00 0.00 174.74 174.12 3ij6 s ILE 11 N -1.43 0.10 -0.35 0.60 2.07 -0.10 -4.40 121.20 117.70 3ij6 s ILE 11 Ca 0.19 -1.54 0.00 0.00 -1.41 0.00 0.00 60.65 57.89 3ij6 s ILE 11 Cb -0.09 -1.81 0.14 0.00 0.13 0.00 0.00 42.46 40.83 3ij6 s ILE 11 CO 0.09 -0.44 0.25 -0.22 -1.91 0.00 0.00 174.94 172.71 3ij6 s LEU 12 N -2.97 0.60 0.34 8.50 2.96 -0.87 -2.81 118.68 124.42 3ij6 s LEU 12 Ca 0.17 -1.86 -0.29 0.00 -0.22 0.00 0.00 54.13 51.93 3ij6 s LEU 12 Cb 0.05 -0.10 -0.11 0.00 0.50 0.00 0.00 46.19 46.53 3ij6 s LEU 12 CO -0.02 -0.32 1.44 -2.84 -1.32 0.00 0.00 176.35 173.30 3ij6 s PRO 13 N 1.34 4.20 0.15 0.98 0.02 -1.26 -4.44 135.00 136.00 3ij6 s PRO 13 Ca 0.16 2.43 -0.19 0.00 0.02 0.00 0.00 61.00 63.42 3ij6 s PRO 13 Cb -0.20 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 31.35 3ij6 s PRO 13 CO -0.06 -0.43 1.66 0.00 -0.33 0.00 0.00 177.00 177.85 3ij6 h ALA 14 N 3.52 0.10 -0.24 -1.55 0.00 -1.95 -0.36 119.26 118.78 3ij6 h ALA 14 Ca -0.49 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 3ij6 h ALA 14 Cb 1.23 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3ij6 h ALA 14 CO 0.68 -0.53 -0.41 0.87 0.00 0.00 0.00 179.25 179.86 3ij6 h LYS 15 N -0.10 0.58 -0.15 0.00 1.57 -1.97 -2.48 116.57 114.02 3ij6 h LYS 15 Ca 0.16 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3ij6 h LYS 15 Cb 0.33 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3ij6 h LYS 15 CO -0.36 0.89 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.38 3ij6 h TYR 16 N 0.48 0.39 -0.30 -1.35 3.20 -1.84 -2.48 116.97 115.07 3ij6 h TYR 16 Ca 0.04 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3ij6 h TYR 16 Cb 0.91 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3ij6 h TYR 16 CO 0.04 0.69 0.20 -0.92 -1.64 0.00 0.00 178.16 176.53 3ij6 h TYR 17 N -0.02 0.38 -0.33 -3.82 3.20 -1.05 -0.13 116.97 115.20 3ij6 h TYR 17 Ca 0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3ij6 h TYR 17 Cb 0.60 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3ij6 h TYR 17 CO 0.07 0.24 0.10 1.96 -1.64 0.00 0.00 178.16 178.90 3ij6 h GLN 18 N 0.41 0.48 0.00 1.82 1.08 -1.51 0.26 115.11 117.65 3ij6 h GLN 18 Ca 0.11 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3ij6 h GLN 18 Cb -0.04 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3ij6 h GLN 18 CO -0.02 0.43 -0.03 0.87 -0.95 0.00 0.00 178.83 179.12 3ij6 h LYS 19 N 0.47 0.00 0.01 1.46 1.57 -1.02 -3.04 116.57 116.03 3ij6 h LYS 19 Ca 0.11 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.67 3ij6 h LYS 19 Cb 0.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3ij6 h LYS 19 CO -0.01 0.03 -1.13 0.52 -0.57 0.00 0.00 179.45 178.29 3ij6 h MET 20 N 0.00 0.02 -0.07 3.15 2.86 0.19 -3.23 114.93 117.85 3ij6 h MET 20 Ca -0.00 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3ij6 h MET 20 Cb 0.92 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 3ij6 h MET 20 CO 0.00 0.94 -0.14 -0.07 1.06 0.00 0.00 176.91 178.71 3ij6 h LEU 21 N 0.01 0.10 -0.81 1.22 3.38 -0.94 -2.25 115.31 116.02 3ij6 h LEU 21 Ca -0.06 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3ij6 h LEU 21 Cb 1.83 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 3ij6 h LEU 21 CO 0.13 0.26 -0.43 0.28 0.09 0.00 0.00 178.44 178.76 3ij6 h SER 22 N 0.11 0.00 0.25 -0.43 0.02 -1.58 -2.98 113.55 108.94 3ij6 h SER 22 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3ij6 h SER 22 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3ij6 h SER 22 CO 0.02 0.43 -0.12 0.58 -1.14 0.00 0.00 176.83 176.60 3ij6 h VAL 23 N 0.00 0.64 -3.32 2.27 2.07 -1.44 -3.44 116.25 113.04 3ij6 h VAL 23 Ca -0.00 -0.90 -0.43 0.00 0.82 0.00 0.00 66.70 66.18 3ij6 h VAL 23 Cb 0.99 1.04 -0.37 0.00 -1.52 0.00 0.00 31.29 31.44 3ij6 h VAL 23 CO 0.06 0.15 -0.77 -0.70 0.02 0.00 0.00 177.57 176.33 3ij6 s GLU 24 N -3.69 0.73 0.44 1.57 2.12 -1.00 -5.04 118.70 113.83 3ij6 s GLU 24 Ca -0.12 0.02 0.19 0.00 0.36 0.00 0.00 54.97 55.42 3ij6 s GLU 24 Cb 0.01 -0.96 1.02 0.00 0.26 0.00 0.00 34.13 34.46 3ij6 s GLU 24 CO 0.45 -0.23 1.93 -1.35 -0.54 0.00 0.00 175.26 175.52 3ij6 h PRO 25 N 7.95 0.00 -1.01 4.30 0.11 -1.81 -3.28 132.00 138.27 3ij6 h PRO 25 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ij6 h PRO 25 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ij6 h PRO 25 CO 0.34 0.25 0.00 -1.71 -0.21 0.00 0.00 178.00 176.67 3ij6 n ASN 26 N -3.92 2.72 -0.07 -2.05 5.15 -1.26 -4.37 115.26 111.47 3ij6 n ASN 26 Ca -0.02 -1.97 -0.13 0.00 -0.60 0.00 0.00 54.58 51.86 3ij6 n ASN 26 Cb 0.33 -0.49 -0.06 0.00 -0.53 0.00 0.00 39.78 39.03 3ij6 n ASN 26 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3ij6 h ILE 27 N 0.01 1.32 0.00 -1.44 2.04 -1.93 -3.03 117.51 114.49 3ij6 h ILE 27 Ca 0.00 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3ij6 h ILE 27 Cb 0.93 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3ij6 h ILE 27 CO 0.00 0.40 0.00 -0.65 0.00 0.00 0.00 178.15 177.90 3ij6 h PRO 28 N 0.15 0.00 0.00 2.37 0.11 -1.85 -3.03 132.00 129.75 3ij6 h PRO 28 Ca 0.04 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3ij6 h PRO 28 Cb 0.70 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3ij6 h PRO 28 CO 0.04 0.00 -0.81 -0.91 -0.21 0.00 0.00 178.00 176.11 3ij6 h ASN 29 N 0.00 0.00 0.68 -2.05 2.35 -1.89 -3.35 115.58 111.32 3ij6 h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ij6 h ASN 29 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3ij6 h ASN 29 CO 0.00 0.12 -1.14 0.23 -1.65 0.00 0.00 177.43 174.99 3ij6 n MET 30 N -2.84 0.51 -3.86 0.81 2.81 -1.15 -4.86 117.12 108.54 3ij6 n MET 30 Ca -0.00 0.04 -0.26 0.00 -1.81 0.00 0.00 57.70 55.66 3ij6 n MET 30 Cb 0.60 -1.71 -0.17 0.00 -0.71 0.00 0.00 33.22 31.23 3ij6 n MET 30 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3ij6 s PHE 31 N -3.33 1.23 -1.99 2.03 0.08 -1.16 -5.03 117.98 109.81 3ij6 s PHE 31 Ca -0.00 -0.59 0.28 0.00 0.12 0.00 0.00 56.93 56.74 3ij6 s PHE 31 Cb 0.12 -1.10 1.14 0.00 -0.57 0.00 0.00 43.02 42.61 3ij6 s PHE 31 CO 0.81 -0.47 1.80 -0.35 -0.10 0.00 0.00 175.22 176.91 3ij6 n PRO 32 N 5.01 1.08 0.00 0.24 -0.04 -1.26 -4.00 135.00 136.02 3ij6 n PRO 32 Ca -0.11 -0.50 0.14 0.00 -0.04 0.00 0.00 63.50 62.99 3ij6 n PRO 32 Cb 0.50 -1.49 0.53 0.00 -0.04 0.00 0.00 33.50 33.00 3ij6 n PRO 32 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3ij6 n PHE 33 N -0.52 0.00 0.09 0.54 1.16 -1.26 -3.85 117.46 113.62 3ij6 n PHE 33 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.79 3ij6 n PHE 33 Cb 0.30 -0.08 0.47 0.00 -1.61 0.00 0.00 39.48 38.55 3ij6 n PHE 33 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3ij6 h ILE 34 N 1.36 1.10 -0.98 1.97 5.03 -1.93 -3.21 117.51 120.84 3ij6 h ILE 34 Ca 0.00 -0.29 0.30 0.00 -0.12 0.00 0.00 64.86 64.76 3ij6 h ILE 34 Cb 0.43 0.80 -0.18 0.00 -3.03 0.00 0.00 36.82 34.84 3ij6 h ILE 34 CO 0.00 0.11 0.15 1.17 -0.68 0.00 0.00 178.15 178.90 3ij6 n LYS 35 N -4.44 -0.07 -1.91 2.37 3.00 -1.25 -4.51 118.16 111.34 3ij6 n LYS 35 Ca 0.01 1.43 -0.42 0.00 -0.00 0.00 0.00 58.31 59.33 3ij6 n LYS 35 Cb 0.12 -2.35 -0.03 0.00 0.00 0.00 0.00 35.03 32.77 3ij6 n LYS 35 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3ij6 s ILE 36 N -5.85 2.77 -0.27 3.15 1.01 -1.21 -4.93 121.20 115.87 3ij6 s ILE 36 Ca -0.12 0.42 0.22 0.00 0.00 0.00 0.00 60.65 61.18 3ij6 s ILE 36 Cb 0.30 -3.27 0.06 0.00 0.01 0.00 0.00 42.46 39.55 3ij6 s ILE 36 CO 0.76 0.02 1.14 0.07 0.00 0.00 0.00 174.94 176.93 3ij6 h LYS 37 N 7.55 0.00 0.00 2.79 2.10 -1.91 -3.28 116.57 123.83 3ij6 h LYS 37 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3ij6 h LYS 37 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3ij6 h LYS 37 CO 0.92 0.02 0.00 1.79 -2.00 0.00 0.00 179.45 180.18 3ij6 h THR 38 N 0.00 0.00 0.06 0.07 1.35 -1.83 -0.84 112.91 111.73 3ij6 h THR 38 Ca -0.01 -0.67 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3ij6 h THR 38 Cb 1.03 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3ij6 h THR 38 CO 0.00 0.00 -0.03 0.25 -0.25 0.00 0.00 175.52 175.49 3ij6 h LEU 39 N 0.00 -0.07 0.05 3.87 5.85 -1.90 -3.39 115.31 119.72 3ij6 h LEU 39 Ca 0.00 -0.55 -0.10 0.00 0.84 0.00 0.00 57.88 58.07 3ij6 h LEU 39 Cb 0.75 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3ij6 h LEU 39 CO 0.00 0.62 -0.51 0.24 -0.34 0.00 0.00 178.44 178.45 3ij6 h MET 40 N -0.88 0.11 -5.15 1.25 2.86 -1.63 -2.32 114.93 109.17 3ij6 h MET 40 Ca -0.01 -0.18 -0.65 0.00 -2.06 0.00 0.00 59.70 56.80 3ij6 h MET 40 Cb 0.62 0.07 -0.16 0.00 0.06 0.00 0.00 31.60 32.19 3ij6 h MET 40 CO 0.01 1.09 -0.12 0.34 1.06 0.00 0.00 176.91 179.29 3ij6 s ASP 41 N -6.58 6.28 0.13 1.22 3.68 -0.32 -4.47 116.67 116.61 3ij6 s ASP 41 Ca -0.19 -0.11 -0.13 0.00 2.13 0.00 0.00 52.55 54.25 3ij6 s ASP 41 Cb -0.00 -2.25 -0.02 0.00 -1.45 0.00 0.00 42.92 39.20 3ij6 s ASP 41 CO 0.72 -0.45 1.54 0.25 0.13 0.00 0.00 175.17 177.36 3ij6 h LEU 42 N 9.00 0.82 -1.33 -1.34 5.85 -1.86 -1.73 115.31 124.72 3ij6 h LEU 42 Ca -0.28 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 3ij6 h LEU 42 Cb 1.13 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3ij6 h LEU 42 CO 0.75 1.00 0.04 -2.24 -0.34 0.00 0.00 178.44 177.65 3ij6 h ASP 43 N 0.63 0.45 -0.63 1.25 -0.00 -1.93 -0.85 116.42 115.34 3ij6 h ASP 43 Ca 0.10 -0.07 -0.08 0.00 -0.00 0.00 0.00 57.03 56.98 3ij6 h ASP 43 Cb 0.64 -0.12 -0.03 0.00 -0.00 0.00 0.00 39.33 39.83 3ij6 h ASP 43 CO 0.04 0.49 0.08 -0.08 -0.00 0.00 0.00 179.24 179.77 3ij6 h GLU 44 N 0.48 1.07 -0.45 4.15 4.57 -1.80 -2.17 114.58 120.43 3ij6 h GLU 44 Ca 0.11 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 3ij6 h GLU 44 Cb 0.25 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3ij6 h GLU 44 CO 0.00 1.00 0.18 -0.09 -1.18 0.00 0.00 179.01 178.92 3ij6 h ARG 45 N 1.00 0.67 -0.01 1.92 2.43 -0.34 -2.43 114.38 117.63 3ij6 h ARG 45 Ca 0.19 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 59.03 3ij6 h ARG 45 Cb 0.47 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3ij6 h ARG 45 CO 0.02 0.62 -0.89 -0.07 -1.51 0.00 0.00 179.97 178.14 3ij6 h LEU 46 N 0.59 0.39 0.02 3.80 3.38 -1.21 -2.84 115.31 119.43 3ij6 h LEU 46 Ca 0.15 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ij6 h LEU 46 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ij6 h LEU 46 CO -0.01 1.10 -0.01 0.74 0.09 0.00 0.00 178.44 180.35 3ij6 h THR 47 N 0.17 1.17 -0.71 0.22 2.02 -1.38 -3.17 112.91 111.23 3ij6 h THR 47 Ca -0.06 -0.57 -0.42 0.00 0.77 0.00 0.00 66.41 66.13 3ij6 h THR 47 Cb 1.51 1.55 -0.21 0.00 -1.74 0.00 0.00 68.15 69.26 3ij6 h THR 47 CO 0.14 0.15 0.54 0.29 0.37 0.00 0.00 175.52 177.01 3ij6 n LYS 48 N -4.98 2.03 -1.71 6.66 5.02 -0.92 -4.98 118.16 119.28 3ij6 n LYS 48 Ca -0.08 -2.23 -0.42 0.00 -2.02 0.00 0.00 58.31 53.56 3ij6 n LYS 48 Cb 0.15 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 3ij6 n LYS 48 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3ij6 s TRP 49 N -2.52 2.24 0.37 2.13 -0.11 -1.07 -4.65 118.94 115.33 3ij6 s TRP 49 Ca 0.43 0.02 0.09 0.00 1.22 0.00 0.00 56.10 57.86 3ij6 s TRP 49 Cb 0.35 -4.18 0.72 0.00 -1.50 0.00 0.00 33.47 28.86 3ij6 s TRP 49 CO 0.04 -4.82 1.87 -1.00 -4.62 0.00 0.00 176.95 168.42 3ij6 h PRO 50 N 8.36 0.21 -2.49 5.86 0.13 -1.86 -3.44 132.00 138.76 3ij6 h PRO 50 Ca -0.46 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.52 3ij6 h PRO 50 Cb 1.22 -0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 3ij6 h PRO 50 CO 0.95 0.41 -0.09 0.34 -0.23 0.00 0.00 178.00 179.38 3ij6 s ASP 51 N -6.89 -0.51 0.45 1.44 -1.08 -1.26 -4.88 116.67 103.93 3ij6 s ASP 51 Ca -0.05 0.89 0.24 0.00 -0.52 0.00 0.00 52.55 53.11 3ij6 s ASP 51 Cb 0.15 0.91 0.45 0.00 -1.46 0.00 0.00 42.92 42.97 3ij6 s ASP 51 CO 0.74 -0.27 1.65 -0.61 0.52 0.00 0.00 175.17 177.20 3ij6 h GLN 52 N 4.85 0.00 -0.01 4.34 5.75 -2.03 -3.04 115.11 124.97 3ij6 h GLN 52 Ca -0.28 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3ij6 h GLN 52 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 3ij6 h GLN 52 CO 0.23 0.02 -0.13 0.09 -2.65 0.00 0.00 178.83 176.39 3ij6 n ASN 53 N -3.11 1.33 -4.63 -0.69 5.03 -1.26 -4.90 115.26 107.02 3ij6 n ASN 53 Ca 0.04 -1.22 -0.36 0.00 0.87 0.00 0.00 54.58 53.90 3ij6 n ASN 53 Cb 0.51 0.07 -0.10 0.00 -1.02 0.00 0.00 39.78 39.24 3ij6 n ASN 53 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3ij6 s THR 54 N -2.25 5.16 -0.10 3.41 2.01 -1.15 0.10 115.64 122.83 3ij6 s THR 54 Ca 0.31 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.40 3ij6 s THR 54 Cb 0.20 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 3ij6 s THR 54 CO 0.43 0.36 -0.01 -0.54 -0.69 0.00 0.00 174.62 174.17 3ij6 s LYS 55 N 1.01 3.11 -0.15 4.92 1.02 -0.19 -4.88 119.74 124.58 3ij6 s LYS 55 Ca 0.07 -0.44 -0.08 0.00 0.02 0.00 0.00 55.97 55.54 3ij6 s LYS 55 Cb -0.14 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3ij6 s LYS 55 CO 0.04 0.60 0.13 -0.65 -0.92 0.00 0.00 175.35 174.55 3ij6 s GLN 56 N -0.61 3.67 -0.36 1.68 -0.21 0.10 -0.98 119.66 122.96 3ij6 s GLN 56 Ca 0.10 -0.18 -0.19 0.00 0.02 0.00 0.00 55.36 55.11 3ij6 s GLN 56 Cb -0.12 -3.24 -0.00 0.00 1.00 0.00 0.00 33.01 30.65 3ij6 s GLN 56 CO 0.02 0.60 0.55 0.08 -2.12 0.00 0.00 175.29 174.42 3ij6 s VAL 57 N -0.52 4.98 -0.15 1.09 1.01 0.71 -1.88 120.40 125.64 3ij6 s VAL 57 Ca 0.12 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 3ij6 s VAL 57 Cb -0.12 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3ij6 s VAL 57 CO 0.02 -0.26 0.08 0.27 0.00 0.00 0.00 175.10 175.21 3ij6 s ILE 58 N 2.48 4.98 0.29 2.22 -4.36 -0.66 -1.77 121.20 124.38 3ij6 s ILE 58 Ca 0.20 0.03 0.06 0.00 -0.26 0.00 0.00 60.65 60.68 3ij6 s ILE 58 Cb -0.15 -3.21 -0.06 0.00 1.25 0.00 0.00 42.46 40.29 3ij6 s ILE 58 CO 0.14 0.52 -0.04 -0.94 0.24 0.00 0.00 174.94 174.86 3ij6 s SER 59 N -0.20 2.73 0.27 4.36 1.04 -0.46 -0.69 113.70 120.75 3ij6 s SER 59 Ca 0.08 -1.22 -0.29 0.00 0.48 0.00 0.00 55.95 55.01 3ij6 s SER 59 Cb -0.12 -0.16 -0.09 0.00 0.10 0.00 0.00 66.02 65.75 3ij6 s SER 59 CO 0.01 -0.38 0.95 -0.76 0.98 0.00 0.00 173.24 174.04 3ij6 s LEU 60 N -3.45 4.53 0.99 2.42 1.43 -1.26 -0.92 118.68 122.42 3ij6 s LEU 60 Ca 0.30 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 3ij6 s LEU 60 Cb 0.04 -3.76 0.18 0.00 0.03 0.00 0.00 46.19 42.69 3ij6 s LEU 60 CO 0.12 0.06 1.08 0.00 0.23 0.00 0.00 176.35 177.85 3ij6 s ALA 61 N -1.34 0.89 -1.47 4.21 0.00 -1.12 -4.86 121.76 118.07 3ij6 s ALA 61 Ca 0.45 -0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 3ij6 s ALA 61 Cb -0.24 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3ij6 s ALA 61 CO 0.29 -2.88 2.47 -1.71 0.00 0.00 0.00 175.76 173.93 3ij6 n ASN 62 N -4.25 5.54 -4.00 0.00 5.15 -1.26 -4.64 115.26 111.79 3ij6 n ASN 62 Ca 0.06 -2.72 -0.31 0.00 -0.60 0.00 0.00 54.58 51.01 3ij6 n ASN 62 Cb 0.55 -1.58 -0.14 0.00 -0.53 0.00 0.00 39.78 38.07 3ij6 n ASN 62 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ij6 s ILE 63 N 2.93 2.45 -0.10 -1.44 1.01 -1.26 -5.11 121.20 119.68 3ij6 s ILE 63 Ca 0.55 -2.67 0.02 0.00 0.00 0.00 0.00 60.65 58.55 3ij6 s ILE 63 Cb 0.15 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3ij6 s ILE 63 CO -0.07 -0.67 -0.15 -0.44 0.00 0.00 0.00 174.94 173.61 3ij6 s SER 64 N 0.54 3.92 0.51 3.58 0.01 -1.26 -5.03 113.70 115.97 3ij6 s SER 64 Ca 0.13 -0.31 0.20 0.00 1.31 0.00 0.00 55.95 57.29 3ij6 s SER 64 Cb -0.21 -1.30 1.28 0.00 0.21 0.00 0.00 66.02 66.00 3ij6 s SER 64 CO -0.05 0.23 2.03 -0.65 0.41 0.00 0.00 173.24 175.21 3ij6 h PRO 65 N 6.21 0.09 0.00 12.44 0.11 -1.94 -2.59 132.00 146.32 3ij6 h PRO 65 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3ij6 h PRO 65 Cb 1.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ij6 h PRO 65 CO 0.53 0.06 -0.05 1.05 -0.21 0.00 0.00 178.00 179.38 3ij6 h GLU 66 N 0.09 0.00 -0.00 1.05 4.11 -1.90 0.14 114.58 118.06 3ij6 h GLU 66 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3ij6 h GLU 66 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3ij6 h GLU 66 CO -0.02 0.05 -0.29 -0.25 0.07 0.00 0.00 179.01 178.57 3ij6 n ASP 67 N -3.65 0.53 0.00 3.06 8.00 -0.98 -4.29 116.55 119.23 3ij6 n ASP 67 Ca -0.02 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.14 3ij6 n ASP 67 Cb 0.15 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3ij6 n ASP 67 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ij6 n PHE 68 N -1.21 0.00 -4.31 1.24 3.72 -0.49 -5.10 117.46 111.31 3ij6 n PHE 68 Ca 0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.33 3ij6 n PHE 68 Cb 0.33 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.76 3ij6 n PHE 68 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3ij6 s THR 69 N -1.18 0.55 0.79 4.37 -4.23 0.35 -5.00 115.64 111.30 3ij6 s THR 69 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 3ij6 s THR 69 Cb 0.00 -2.60 0.09 0.00 1.34 0.00 0.00 72.50 71.33 3ij6 s THR 69 CO 0.00 -0.03 1.14 1.51 -0.54 0.00 0.00 174.62 176.70 3ij6 s ASP 70 N -3.30 4.40 0.24 3.99 1.47 -1.26 -4.63 116.67 117.58 3ij6 s ASP 70 Ca 0.37 0.57 -0.06 0.00 1.18 0.00 0.00 52.55 54.62 3ij6 s ASP 70 Cb 0.08 -1.05 0.43 0.00 -0.34 0.00 0.00 42.92 42.04 3ij6 s ASP 70 CO 0.13 -1.92 1.69 0.77 0.68 0.00 0.00 175.17 176.52 3ij6 h SER 71 N -0.98 0.04 0.01 2.11 4.64 -1.96 0.19 113.55 117.59 3ij6 h SER 71 Ca -0.45 0.14 -0.24 0.00 -0.47 0.00 0.00 61.79 60.77 3ij6 h SER 71 Cb 1.31 0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.59 3ij6 h SER 71 CO 0.60 -0.01 -0.89 0.50 -0.87 0.00 0.00 176.83 176.15 3ij6 h LYS 72 N 0.29 0.68 -0.08 4.77 3.64 -1.94 -2.67 116.57 121.26 3ij6 h LYS 72 Ca 0.40 -0.63 -0.18 0.00 -1.27 0.00 0.00 60.65 58.97 3ij6 h LYS 72 Cb 0.66 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3ij6 h LYS 72 CO -0.48 1.23 -0.71 1.15 -2.27 0.00 0.00 179.45 178.37 3ij6 h THR 73 N 0.43 1.38 -0.47 1.00 2.02 -1.80 -3.08 112.91 112.39 3ij6 h THR 73 Ca -0.08 -2.13 -0.13 0.00 0.77 0.00 0.00 66.41 64.84 3ij6 h THR 73 Cb 1.52 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 70.02 3ij6 h THR 73 CO 0.17 0.64 -0.21 -1.28 0.37 0.00 0.00 175.52 175.22 3ij6 h SER 74 N 0.26 1.00 -0.99 4.18 0.87 -1.04 -2.88 113.55 114.95 3ij6 h SER 74 Ca -0.03 -0.39 0.04 0.00 -1.23 0.00 0.00 61.79 60.18 3ij6 h SER 74 Cb 1.28 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.91 3ij6 h SER 74 CO 0.12 1.17 0.65 0.00 -0.53 0.00 0.00 176.83 178.24 3ij6 h ALA 75 N 0.86 1.37 -0.45 6.23 0.00 -1.45 -0.23 119.26 125.59 3ij6 h ALA 75 Ca 0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3ij6 h ALA 75 Cb 0.78 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ij6 h ALA 75 CO 0.06 0.53 -0.20 0.93 0.00 0.00 0.00 179.25 180.57 3ij6 h GLU 76 N 1.24 0.89 -0.26 0.00 5.08 -1.50 -2.48 114.58 117.56 3ij6 h GLU 76 Ca 0.40 -0.36 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3ij6 h GLU 76 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3ij6 h GLU 76 CO -0.13 1.01 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.34 3ij6 h LEU 77 N 0.78 0.76 -0.09 1.33 3.38 -1.16 -2.29 115.31 118.02 3ij6 h LEU 77 Ca 0.11 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3ij6 h LEU 77 Cb 0.75 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ij6 h LEU 77 CO 0.06 1.11 -0.06 0.00 0.09 0.00 0.00 178.44 179.64 3ij6 h GLN 79 N -0.19 0.56 -0.19 0.00 4.15 -1.51 0.17 115.11 118.10 3ij6 h GLN 79 Ca 0.02 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.23 3ij6 h GLN 79 Cb 0.55 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 3ij6 h GLN 79 CO 0.02 0.38 -0.59 1.03 -1.93 0.00 0.00 178.83 177.73 3ij6 h SER 80 N 0.58 0.70 -0.34 -0.69 0.87 -1.35 -2.28 113.55 111.03 3ij6 h SER 80 Ca 0.16 -0.39 -0.11 0.00 -1.23 0.00 0.00 61.79 60.21 3ij6 h SER 80 Cb -0.06 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3ij6 h SER 80 CO -0.03 1.13 -0.23 0.00 -0.53 0.00 0.00 176.83 177.16 3ij6 h ALA 81 N 0.88 0.49 -0.06 6.23 0.00 -0.39 -2.31 119.26 124.11 3ij6 h ALA 81 Ca -0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3ij6 h ALA 81 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ij6 h ALA 81 CO 0.11 0.47 -0.28 -0.91 0.00 0.00 0.00 179.25 178.64 3ij6 h ASN 82 N 0.55 0.10 -0.30 0.00 2.35 -0.72 0.77 115.58 118.32 3ij6 h ASN 82 Ca 0.07 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 3ij6 h ASN 82 Cb 0.79 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3ij6 h ASN 82 CO 0.06 0.39 -0.22 -0.08 -1.65 0.00 0.00 177.43 175.93 3ij6 h GLU 83 N 0.09 0.68 -0.21 0.81 4.81 -1.35 -0.71 114.58 118.70 3ij6 h GLU 83 Ca 0.01 -0.33 -0.12 0.00 -0.13 0.00 0.00 59.36 58.79 3ij6 h GLU 83 Cb 0.55 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3ij6 h GLU 83 CO 0.04 0.93 -0.40 1.49 -0.73 0.00 0.00 179.01 180.34 3ij6 h GLU 84 N 0.42 0.47 -0.30 1.92 4.81 -1.05 0.04 114.58 120.90 3ij6 h GLU 84 Ca 0.06 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3ij6 h GLU 84 Cb 0.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3ij6 h GLU 84 CO 0.06 0.79 0.04 -0.07 -0.73 0.00 0.00 179.01 179.10 3ij6 h LEU 85 N 0.39 0.48 -0.65 1.64 3.38 -0.84 -0.48 115.31 119.23 3ij6 h LEU 85 Ca 0.04 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3ij6 h LEU 85 Cb 0.87 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3ij6 h LEU 85 CO 0.07 0.62 0.43 -1.28 0.09 0.00 0.00 178.44 178.37 3ij6 h SER 86 N 0.31 0.73 -0.66 -0.43 0.87 -1.00 -2.52 113.55 110.86 3ij6 h SER 86 Ca 0.09 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 3ij6 h SER 86 Cb 0.36 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.08 3ij6 h SER 86 CO 0.01 0.53 0.35 -1.13 -0.53 0.00 0.00 176.83 176.06 3ij6 h ASN 87 N 0.87 0.50 -0.87 6.23 -1.24 -0.84 -1.28 115.58 118.95 3ij6 h ASN 87 Ca 0.24 0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.33 3ij6 h ASN 87 Cb -0.09 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 38.85 3ij6 h ASN 87 CO -0.06 0.32 0.56 -0.07 -1.29 0.00 0.00 177.43 176.89 3ij6 h LEU 88 N 0.64 0.91 -0.36 0.34 4.07 -0.67 0.61 115.31 120.85 3ij6 h LEU 88 Ca 0.30 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 58.08 3ij6 h LEU 88 Cb 0.22 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 3ij6 h LEU 88 CO -0.20 0.61 -0.63 0.58 -1.08 0.00 0.00 178.44 177.72 3ij6 h VAL 89 N 1.06 1.31 -0.21 1.22 2.07 -1.26 -0.79 116.25 119.65 3ij6 h VAL 89 Ca 0.36 -1.88 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 3ij6 h VAL 89 Cb 0.06 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3ij6 h VAL 89 CO -0.14 0.59 0.01 -0.78 0.02 0.00 0.00 177.57 177.28 3ij6 h ASP 90 N 0.49 0.35 0.83 0.57 3.58 -0.77 -3.08 116.42 118.40 3ij6 h ASP 90 Ca -0.01 -0.29 -0.14 0.00 0.42 0.00 0.00 57.03 57.01 3ij6 h ASP 90 Cb 1.22 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 3ij6 h ASP 90 CO 0.13 0.56 -0.65 1.56 -2.88 0.00 0.00 179.24 177.95 3ij6 h GLN 91 N 0.13 0.00 -2.13 0.28 1.08 0.20 -3.37 115.11 111.29 3ij6 h GLN 91 Ca 0.06 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.67 3ij6 h GLN 91 Cb 0.37 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.39 3ij6 h GLN 91 CO 0.01 0.65 -0.75 0.72 -0.95 0.00 0.00 178.83 178.51 3ij6 n HIS 92 N -3.59 2.44 0.55 2.96 8.25 -0.31 -4.95 115.22 120.58 3ij6 n HIS 92 Ca -0.00 -3.97 0.13 0.00 -0.26 0.00 0.00 57.72 53.61 3ij6 n HIS 92 Cb 0.68 -0.49 0.45 0.00 1.12 0.00 0.00 29.99 31.74 3ij6 n HIS 92 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3ij6 n PRO 93 N 0.98 0.22 0.00 -0.41 -0.04 -1.17 -1.87 135.00 132.71 3ij6 n PRO 93 Ca 0.27 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 3ij6 n PRO 93 Cb 0.45 -1.81 0.32 0.00 -0.04 0.00 0.00 33.50 32.41 3ij6 n PRO 93 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ij6 n GLY 94 N 0.78 -1.15 0.02 0.55 0.00 -1.26 -4.23 105.19 99.90 3ij6 n GLY 94 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 3ij6 n GLY 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ij6 n LYS 95 N -1.34 3.14 -4.05 1.61 4.76 -1.08 -4.79 118.16 116.41 3ij6 n LYS 95 Ca 0.07 -0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.18 3ij6 n LYS 95 Cb 0.33 -1.12 -0.15 0.00 -1.84 0.00 0.00 35.03 32.25 3ij6 n LYS 95 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3ij6 s PHE 96 N -2.12 3.06 0.21 2.13 0.08 -0.78 -0.72 117.98 119.84 3ij6 s PHE 96 Ca -0.03 -1.90 0.10 0.00 0.12 0.00 0.00 56.93 55.22 3ij6 s PHE 96 Cb 0.01 -1.97 0.18 0.00 -0.57 0.00 0.00 43.02 40.68 3ij6 s PHE 96 CO 0.19 -0.82 1.51 0.00 -0.10 0.00 0.00 175.22 176.00 3ij6 h ALA 97 N 7.89 0.77 0.00 5.36 0.00 -1.65 -3.43 119.26 128.21 3ij6 h ALA 97 Ca -0.31 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3ij6 h ALA 97 Cb 1.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3ij6 h ALA 97 CO 0.55 0.91 0.00 0.41 0.00 0.00 0.00 179.25 181.12 3ij6 n GLY 98 N 0.62 -0.22 3.29 0.00 0.00 -1.26 -5.02 105.19 102.61 3ij6 n GLY 98 Ca -0.01 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 3ij6 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij6 s ALA 99 N -2.00 1.83 -0.24 4.61 0.00 -0.12 -1.65 121.76 124.19 3ij6 s ALA 99 Ca 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 3ij6 s ALA 99 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3ij6 s ALA 99 CO 0.00 0.34 0.05 0.08 0.00 0.00 0.00 175.76 176.24 3ij6 s VAL 100 N -1.30 4.26 0.54 0.00 1.01 0.13 -1.01 120.40 124.04 3ij6 s VAL 100 Ca 0.08 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 3ij6 s VAL 100 Cb -0.09 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 3ij6 s VAL 100 CO 0.05 0.37 1.05 0.00 0.00 0.00 0.00 175.10 176.56 3ij6 s ALA 101 N 1.41 2.80 -0.06 5.51 0.00 -0.04 -4.39 121.76 127.00 3ij6 s ALA 101 Ca 0.05 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3ij6 s ALA 101 Cb -0.15 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3ij6 s ALA 101 CO 0.03 -0.57 0.54 -1.50 0.00 0.00 0.00 175.76 174.26 3ij6 s ILE 102 N -2.19 5.05 -0.13 0.00 2.07 -1.26 -0.86 121.20 123.88 3ij6 s ILE 102 Ca 0.66 1.11 -0.10 0.00 -1.41 0.00 0.00 60.65 60.91 3ij6 s ILE 102 Cb -0.17 -3.88 -0.05 0.00 0.13 0.00 0.00 42.46 38.50 3ij6 s ILE 102 CO 0.28 0.37 0.20 -0.76 -1.91 0.00 0.00 174.94 173.13 3ij6 s LEU 103 N 0.18 4.34 -0.75 8.50 1.43 -1.26 -4.80 118.68 126.33 3ij6 s LEU 103 Ca 0.29 0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 53.67 3ij6 s LEU 103 Cb -0.17 -2.20 0.08 0.00 0.03 0.00 0.00 46.19 43.93 3ij6 s LEU 103 CO 0.14 0.30 1.05 -2.16 0.23 0.00 0.00 176.35 175.91 3ij6 s PRO 104 N -0.48 3.25 0.00 1.29 0.05 -1.26 -4.90 135.00 132.94 3ij6 s PRO 104 Ca 0.15 -1.00 0.30 0.00 0.05 0.00 0.00 61.00 60.50 3ij6 s PRO 104 Cb -0.13 -4.44 1.57 0.00 0.05 0.00 0.00 34.50 31.55 3ij6 s PRO 104 CO 0.04 -1.86 2.05 -1.33 0.05 0.00 0.00 177.00 175.95 3ij6 n MET 105 N 7.67 0.98 0.04 4.56 2.81 -1.26 -2.05 117.12 129.87 3ij6 n MET 105 Ca 0.05 -0.22 0.12 0.00 -1.81 0.00 0.00 57.70 55.85 3ij6 n MET 105 Cb 0.47 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.78 3ij6 n MET 105 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3ij6 n ASN 106 N -0.82 0.56 -3.82 7.83 6.94 -1.26 -4.56 115.26 120.12 3ij6 n ASN 106 Ca 0.20 0.15 -0.29 0.00 -0.02 0.00 0.00 54.58 54.62 3ij6 n ASN 106 Cb 0.20 -0.06 -0.13 0.00 -2.36 0.00 0.00 39.78 37.43 3ij6 n ASN 106 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3ij6 s ASN 107 N -3.77 4.01 0.31 0.53 3.84 -0.87 -4.60 114.94 114.38 3ij6 s ASN 107 Ca 0.09 -3.01 0.01 0.00 0.21 0.00 0.00 52.86 50.16 3ij6 s ASN 107 Cb 0.15 -1.35 0.50 0.00 -0.55 0.00 0.00 41.25 40.00 3ij6 s ASN 107 CO 0.67 -0.22 1.89 0.40 -2.79 0.00 0.00 177.10 177.05 3ij6 h ILE 108 N 5.17 1.20 -0.32 -5.21 1.08 -1.81 -1.49 117.51 116.15 3ij6 h ILE 108 Ca 0.00 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 3ij6 h ILE 108 Cb 0.88 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 3ij6 h ILE 108 CO 0.60 0.26 0.17 -0.08 -0.69 0.00 0.00 178.15 178.41 3ij6 h GLU 109 N 0.76 0.44 0.00 2.37 4.81 -1.94 -2.80 114.58 118.23 3ij6 h GLU 109 Ca 0.18 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3ij6 h GLU 109 Cb 0.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3ij6 h GLU 109 CO -0.01 0.38 -0.42 1.03 -0.73 0.00 0.00 179.01 179.26 3ij6 h SER 110 N 0.39 0.00 -0.25 1.04 0.87 -1.76 -3.06 113.55 110.79 3ij6 h SER 110 Ca 0.11 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 3ij6 h SER 110 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3ij6 h SER 110 CO -0.02 0.42 -0.33 0.00 -0.53 0.00 0.00 176.83 176.37 3ij6 h ALA 111 N 1.58 0.77 -0.84 6.23 0.00 -1.14 -2.14 119.26 123.73 3ij6 h ALA 111 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3ij6 h ALA 111 Cb 0.84 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3ij6 h ALA 111 CO 0.05 0.65 0.39 0.00 0.00 0.00 0.00 179.25 180.34 3ij6 h LYS 113 N 1.20 0.85 -0.01 0.00 1.57 -1.42 -0.81 116.57 117.95 3ij6 h LYS 113 Ca 0.29 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3ij6 h LYS 113 Cb 0.14 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3ij6 h LYS 113 CO -0.03 0.56 -0.09 0.28 -0.57 0.00 0.00 179.45 179.60 3ij6 h VAL 114 N 0.87 0.78 -0.77 0.50 2.07 -1.09 -0.14 116.25 118.46 3ij6 h VAL 114 Ca 0.24 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 3ij6 h VAL 114 Cb -0.10 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 3ij6 h VAL 114 CO -0.05 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.38 3ij6 h ILE 115 N -0.14 0.95 -0.21 4.57 1.08 -1.09 -1.59 117.51 121.07 3ij6 h ILE 115 Ca 0.04 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.17 3ij6 h ILE 115 Cb 0.19 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 3ij6 h ILE 115 CO -0.10 0.14 -0.20 0.28 -0.69 0.00 0.00 178.15 177.59 3ij6 h SER 116 N 0.78 0.36 1.10 1.72 0.02 -0.93 -3.00 113.55 113.61 3ij6 h SER 116 Ca 0.36 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3ij6 h SER 116 Cb 0.27 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3ij6 h SER 116 CO -0.22 0.58 0.00 0.77 -1.14 0.00 0.00 176.83 176.82 3ij6 h SER 117 N 0.34 0.00 0.42 3.07 4.64 -0.03 -3.12 113.55 118.88 3ij6 h SER 117 Ca 0.06 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3ij6 h SER 117 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3ij6 h SER 117 CO 0.04 0.00 -0.28 0.40 -0.87 0.00 0.00 176.83 176.12 3ij6 h ILE 118 N 0.00 1.00 -0.62 0.95 2.04 -1.32 -1.99 117.51 117.58 3ij6 h ILE 118 Ca 0.00 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 3ij6 h ILE 118 Cb 0.55 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3ij6 h ILE 118 CO 0.00 0.28 0.18 0.11 0.00 0.00 0.00 178.15 178.72 3ij6 h LYS 119 N 0.00 0.97 0.00 2.37 1.57 -1.70 -3.26 116.57 116.51 3ij6 h LYS 119 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3ij6 h LYS 119 Cb 0.57 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3ij6 h LYS 119 CO 0.04 0.86 0.00 -0.44 -0.57 0.00 0.00 179.45 179.34 3ij6 h ASP 120 N 0.89 0.00 -3.50 0.86 3.32 -1.54 -3.43 116.42 113.02 3ij6 h ASP 120 Ca 0.20 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.60 3ij6 h ASP 120 Cb 0.30 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.61 3ij6 h ASP 120 CO -0.00 0.00 -0.66 -0.62 -1.72 0.00 0.00 179.24 176.23 3ij6 s ASP 121 N -6.05 4.82 0.32 6.45 3.68 -0.81 -4.98 116.67 120.10 3ij6 s ASP 121 Ca 0.06 -0.25 0.04 0.00 2.13 0.00 0.00 52.55 54.53 3ij6 s ASP 121 Cb 0.06 -1.84 0.54 0.00 -1.45 0.00 0.00 42.92 40.23 3ij6 s ASP 121 CO 0.64 0.01 1.82 -0.33 0.13 0.00 0.00 175.17 177.44 3ij6 h GLU 122 N 7.92 0.50 0.00 4.34 4.39 -1.84 -3.18 114.58 126.70 3ij6 h GLU 122 Ca -0.38 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.06 3ij6 h GLU 122 Cb 1.17 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 3ij6 h GLU 122 CO 0.60 0.60 -0.63 -0.91 -1.16 0.00 0.00 179.01 177.51 3ij6 h ASN 123 N 0.46 0.00 -3.36 1.42 2.35 -1.93 -3.44 115.58 111.09 3ij6 h ASN 123 Ca 0.09 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.26 3ij6 h ASN 123 Cb 0.46 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.75 3ij6 h ASN 123 CO 0.03 0.57 -0.08 -0.76 -1.65 0.00 0.00 177.43 175.54 3ij6 s LEU 124 N -6.45 4.25 0.00 1.61 1.43 -1.20 -0.94 118.68 117.38 3ij6 s LEU 124 Ca 0.03 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3ij6 s LEU 124 Cb 0.08 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3ij6 s LEU 124 CO 0.76 -0.06 0.00 0.52 0.23 0.00 0.00 176.35 177.80 3ij6 n VAL 125 N 3.89 0.00 -3.68 -1.59 0.31 -0.18 -4.82 118.33 112.27 3ij6 n VAL 125 Ca -0.06 -0.19 -0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3ij6 n VAL 125 Cb 0.51 0.69 0.00 0.00 -0.91 0.00 0.00 33.84 34.13 3ij6 n VAL 125 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ij6 n GLY 126 N 1.92 0.89 3.28 2.92 0.00 -1.25 -4.52 105.19 108.42 3ij6 n GLY 126 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 3ij6 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij6 s ALA 127 N -1.14 1.71 -0.22 4.61 0.00 -1.15 -0.86 121.76 124.71 3ij6 s ALA 127 Ca 0.04 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 3ij6 s ALA 127 Cb -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 3ij6 s ALA 127 CO 0.00 0.21 0.24 -1.14 0.00 0.00 0.00 175.76 175.07 3ij6 s GLN 128 N -2.45 4.13 0.15 0.00 0.74 -0.04 -0.93 119.66 121.27 3ij6 s GLN 128 Ca 0.10 -0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.47 3ij6 s GLN 128 Cb -0.07 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3ij6 s GLN 128 CO 0.04 0.07 0.08 0.96 -0.55 0.00 0.00 175.29 175.89 3ij6 s ILE 129 N 1.01 4.22 0.36 -2.34 -4.36 0.62 -4.27 121.20 116.44 3ij6 s ILE 129 Ca 0.12 -1.15 0.08 0.00 -0.26 0.00 0.00 60.65 59.43 3ij6 s ILE 129 Cb -0.14 -3.12 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 3ij6 s ILE 129 CO 0.05 -0.07 0.19 -0.36 0.24 0.00 0.00 174.94 174.98 3ij6 s PHE 130 N -1.68 2.70 0.34 1.37 0.08 -1.26 -1.28 117.98 118.25 3ij6 s PHE 130 Ca 0.29 -0.43 0.10 0.00 0.12 0.00 0.00 56.93 57.02 3ij6 s PHE 130 Cb -0.10 -1.78 0.61 0.00 -0.57 0.00 0.00 43.02 41.18 3ij6 s PHE 130 CO 0.21 0.24 1.77 1.79 -0.10 0.00 0.00 175.22 179.14 3ij6 h THR 131 N 1.44 1.29 -3.95 0.64 1.35 -1.39 -3.42 112.91 108.87 3ij6 h THR 131 Ca -0.43 -1.39 -0.35 0.00 -0.55 0.00 0.00 66.41 63.69 3ij6 h THR 131 Cb 1.25 1.69 -0.28 0.00 -1.73 0.00 0.00 68.15 69.08 3ij6 h THR 131 CO 0.64 0.40 -0.76 -0.13 -0.25 0.00 0.00 175.52 175.42 3ij6 s ARG 132 N -4.17 0.53 -0.08 4.72 0.52 -1.26 -2.37 118.95 116.85 3ij6 s ARG 132 Ca -0.03 -0.24 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 3ij6 s ARG 132 Cb 0.14 -0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.10 3ij6 s ARG 132 CO 0.74 0.14 -0.19 -1.01 0.02 0.00 0.00 175.30 175.00 3ij6 s HIS 133 N -0.17 2.06 -1.42 -0.53 3.76 -0.07 -4.83 115.29 114.09 3ij6 s HIS 133 Ca 0.02 -0.77 -0.09 0.00 -0.15 0.00 0.00 55.06 54.07 3ij6 s HIS 133 Cb -0.03 -1.41 0.05 0.00 1.11 0.00 0.00 32.58 32.31 3ij6 s HIS 133 CO -0.00 -0.32 0.63 1.28 -0.85 0.00 0.00 174.74 175.48 3ij6 n LEU 134 N 3.53 -2.12 -0.16 0.89 4.77 -1.26 -0.73 117.00 121.92 3ij6 n LEU 134 Ca -0.20 -0.44 -0.02 0.00 -0.03 0.00 0.00 56.01 55.32 3ij6 n LEU 134 Cb 0.52 -2.48 -0.01 0.00 -2.33 0.00 0.00 43.42 39.12 3ij6 n LEU 134 CO 0.26 0.25 -0.02 0.61 -1.33 0.00 0.00 177.39 177.16 3ij6 n GLY 135 N -1.40 0.52 3.43 -0.72 0.00 -1.26 -5.02 105.19 100.74 3ij6 n GLY 135 Ca -0.03 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 3ij6 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ij6 s LYS 136 N -1.25 1.53 0.71 1.61 1.02 0.09 -5.11 119.74 118.34 3ij6 s LYS 136 Ca 0.00 -1.48 -0.15 0.00 0.02 0.00 0.00 55.97 54.35 3ij6 s LYS 136 Cb 0.00 -1.87 0.03 0.00 -0.52 0.00 0.00 37.83 35.47 3ij6 s LYS 136 CO 0.00 0.41 1.19 0.45 -0.92 0.00 0.00 175.35 176.48 3ij6 s SER 137 N -2.58 4.41 0.50 2.83 0.15 -1.26 -0.89 113.70 116.85 3ij6 s SER 137 Ca 0.20 2.31 0.24 0.00 0.70 0.00 0.00 55.95 59.40 3ij6 s SER 137 Cb -0.08 -2.58 1.31 0.00 -1.71 0.00 0.00 66.02 62.95 3ij6 s SER 137 CO 0.09 -2.12 2.03 -0.29 1.20 0.00 0.00 173.24 174.16 3ij6 h ILE 138 N -0.15 0.69 0.00 6.45 6.09 -1.71 -2.79 117.51 126.09 3ij6 h ILE 138 Ca -0.48 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 3ij6 h ILE 138 Cb 1.29 1.39 0.00 0.00 0.47 0.00 0.00 36.82 39.97 3ij6 h ILE 138 CO 0.51 0.15 0.00 0.00 -3.07 0.00 0.00 178.15 175.74 3ij6 n ALA 139 N -2.32 2.18 -1.78 0.18 0.00 -1.26 -4.64 120.51 112.88 3ij6 n ALA 139 Ca -0.02 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 3ij6 n ALA 139 Cb 0.26 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3ij6 n ALA 139 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ij6 s ASP 140 N -2.69 6.58 0.38 0.00 3.68 -1.05 -4.87 116.67 118.70 3ij6 s ASP 140 Ca 0.20 2.85 0.27 0.00 2.13 0.00 0.00 52.55 57.99 3ij6 s ASP 140 Cb 0.16 -2.66 1.38 0.00 -1.45 0.00 0.00 42.92 40.35 3ij6 s ASP 140 CO 0.39 -0.69 1.81 0.07 0.13 0.00 0.00 175.17 176.88 3ij6 h LYS 141 N 3.27 0.00 -0.34 4.34 2.10 -1.91 -1.13 116.57 122.89 3ij6 h LYS 141 Ca -0.50 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.11 3ij6 h LYS 141 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 3ij6 h LYS 141 CO 0.65 0.00 0.03 1.49 -2.00 0.00 0.00 179.45 179.62 3ij6 h GLU 142 N 0.00 0.52 0.00 0.07 4.81 -1.95 -3.15 114.58 114.88 3ij6 h GLU 142 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3ij6 h GLU 142 Cb 0.08 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3ij6 h GLU 142 CO 0.00 0.52 -1.28 1.19 -0.73 0.00 0.00 179.01 178.72 3ij6 n PHE 143 N -4.30 0.06 -0.34 0.92 3.72 -0.45 -4.54 117.46 112.53 3ij6 n PHE 143 Ca 0.02 0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.56 3ij6 n PHE 143 Cb 0.22 -0.25 0.31 0.00 -0.94 0.00 0.00 39.48 38.82 3ij6 n PHE 143 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ij6 h ARG 144 N 0.00 0.72 -0.62 -1.08 9.65 -1.46 -1.91 114.38 119.67 3ij6 h ARG 144 Ca 0.00 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.91 3ij6 h ARG 144 Cb 0.69 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 3ij6 h ARG 144 CO 0.00 0.47 0.41 -1.35 2.80 0.00 0.00 179.97 182.31 3ij6 h PRO 145 N 0.74 0.54 -0.10 0.20 0.11 -1.80 -0.17 132.00 131.52 3ij6 h PRO 145 Ca 0.57 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.64 3ij6 h PRO 145 Cb 0.87 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 3ij6 h PRO 145 CO -0.39 0.36 0.04 0.28 -0.21 0.00 0.00 178.00 178.08 3ij6 h VAL 146 N 0.55 1.14 -0.43 3.15 2.07 -1.67 -0.29 116.25 120.78 3ij6 h VAL 146 Ca 0.28 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3ij6 h VAL 146 Cb 0.37 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3ij6 h VAL 146 CO -0.08 0.13 0.04 -0.07 0.02 0.00 0.00 177.57 177.60 3ij6 h LEU 147 N 0.01 0.63 -0.33 2.57 3.38 -1.45 -0.46 115.31 119.65 3ij6 h LEU 147 Ca 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ij6 h LEU 147 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3ij6 h LEU 147 CO -0.00 0.67 0.16 0.00 0.09 0.00 0.00 178.44 179.36 3ij6 h ALA 148 N 1.41 0.43 -0.63 1.53 0.00 -0.90 -1.99 119.26 119.10 3ij6 h ALA 148 Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3ij6 h ALA 148 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ij6 h ALA 148 CO 0.01 -0.01 0.14 0.37 0.00 0.00 0.00 179.25 179.76 3ij6 h GLN 149 N 0.40 1.00 -0.59 0.00 5.75 -0.53 -0.11 115.11 121.03 3ij6 h GLN 149 Ca 0.11 -0.23 -0.10 0.00 -0.15 0.00 0.00 58.65 58.29 3ij6 h GLN 149 Cb 0.12 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3ij6 h GLN 149 CO -0.01 0.90 -0.01 0.00 -2.65 0.00 0.00 178.83 177.06 3ij6 h ALA 150 N 1.20 0.87 -0.27 3.38 0.00 -1.06 -1.28 119.26 122.10 3ij6 h ALA 150 Ca 0.20 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3ij6 h ALA 150 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ij6 h ALA 150 CO 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 3ij6 h ALA 151 N 1.03 0.37 -0.10 0.00 0.00 -0.93 0.30 119.26 119.93 3ij6 h ALA 151 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ij6 h ALA 151 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ij6 h ALA 151 CO 0.03 0.17 0.05 -0.22 0.00 0.00 0.00 179.25 179.28 3ij6 h LYS 152 N 0.27 0.14 -0.00 0.00 3.64 -1.01 -2.95 116.57 116.65 3ij6 h LYS 152 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ij6 h LYS 152 Cb 0.52 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3ij6 h LYS 152 CO 0.02 0.20 -0.00 1.28 -2.27 0.00 0.00 179.45 178.68 3ij6 n LEU 153 N -4.96 0.05 -3.60 5.20 4.77 -0.49 -4.92 117.00 113.06 3ij6 n LEU 153 Ca -0.05 0.03 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 3ij6 n LEU 153 Cb 0.08 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3ij6 n LEU 153 CO 0.34 0.01 0.21 1.41 -1.33 0.00 0.00 177.39 178.03 3ij6 n HIS 154 N -1.01 -2.73 -3.44 -1.77 8.25 -0.30 -5.01 115.22 109.22 3ij6 n HIS 154 Ca 0.22 1.00 -0.39 0.00 -0.26 0.00 0.00 57.72 58.29 3ij6 n HIS 154 Cb 0.14 -4.97 -0.10 0.00 1.12 0.00 0.00 29.99 26.18 3ij6 n HIS 154 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ij6 s VAL 155 N -3.33 5.21 0.46 1.59 1.01 0.90 -4.98 120.40 121.25 3ij6 s VAL 155 Ca 0.49 0.40 -0.22 0.00 0.00 0.00 0.00 61.98 62.65 3ij6 s VAL 155 Cb -0.22 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 3ij6 s VAL 155 CO 0.74 0.15 1.08 -2.16 0.00 0.00 0.00 175.10 174.90 3ij6 s PRO 156 N 1.99 3.86 0.00 2.72 0.04 -1.26 -4.56 135.00 137.78 3ij6 s PRO 156 Ca 0.13 1.52 0.05 0.00 0.04 0.00 0.00 61.00 62.73 3ij6 s PRO 156 Cb -0.16 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 3ij6 s PRO 156 CO 0.10 -0.41 -0.13 -0.51 0.04 0.00 0.00 177.00 176.09 3ij6 s LEU 157 N -3.16 2.83 -0.28 -3.56 1.43 0.54 -2.93 118.68 113.55 3ij6 s LEU 157 Ca 0.64 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.38 3ij6 s LEU 157 Cb -0.21 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3ij6 s LEU 157 CO 0.26 0.29 0.15 0.26 0.23 0.00 0.00 176.35 177.54 3ij6 s TRP 158 N -0.89 3.17 -0.27 0.29 0.51 -0.11 0.45 118.94 122.10 3ij6 s TRP 158 Ca 0.14 -0.23 -0.09 0.00 -2.12 0.00 0.00 56.10 53.81 3ij6 s TRP 158 Cb -0.11 -2.34 -0.03 0.00 -0.81 0.00 0.00 33.47 30.18 3ij6 s TRP 158 CO 0.04 -0.30 0.12 1.41 -0.51 0.00 0.00 176.95 177.71 3ij6 s MET 159 N 1.68 3.72 -0.02 4.98 -2.45 0.40 -0.27 119.30 127.34 3ij6 s MET 159 Ca 0.06 -0.45 0.04 0.00 -1.25 0.00 0.00 55.69 54.09 3ij6 s MET 159 Cb -0.16 -3.47 -0.03 0.00 1.25 0.00 0.00 34.83 32.42 3ij6 s MET 159 CO 0.08 -0.21 -0.10 -1.58 1.05 0.00 0.00 175.02 174.25 3ij6 s HIS 160 N 1.66 2.80 0.53 4.11 2.46 -0.41 -2.45 115.29 123.99 3ij6 s HIS 160 Ca 0.06 -0.09 -0.20 0.00 0.47 0.00 0.00 55.06 55.30 3ij6 s HIS 160 Cb -0.16 -1.61 -0.07 0.00 -0.13 0.00 0.00 32.58 30.62 3ij6 s HIS 160 CO 0.06 0.30 1.10 -1.25 -2.47 0.00 0.00 174.74 172.49 3ij6 s PRO 161 N -1.15 3.48 0.04 2.88 0.04 -1.26 -1.04 135.00 137.99 3ij6 s PRO 161 Ca 0.14 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.76 3ij6 s PRO 161 Cb -0.11 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3ij6 s PRO 161 CO 0.04 -0.73 -0.08 0.54 0.04 0.00 0.00 177.00 176.81 3ij6 s VAL 162 N -1.82 0.59 0.28 -0.36 0.11 -1.26 -4.79 120.40 113.14 3ij6 s VAL 162 Ca 0.71 -1.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.45 3ij6 s VAL 162 Cb -0.22 -0.63 -0.11 0.00 -1.53 0.00 0.00 36.38 33.89 3ij6 s VAL 162 CO 0.25 -0.31 1.61 -0.36 -3.33 0.00 0.00 175.10 172.96 3ij6 s PHE 163 N -1.23 2.79 -0.20 1.54 0.08 -1.26 -4.77 117.98 114.92 3ij6 s PHE 163 Ca -0.08 0.71 -0.29 0.00 0.12 0.00 0.00 56.93 57.39 3ij6 s PHE 163 Cb -0.09 -4.07 0.00 0.00 -0.57 0.00 0.00 43.02 38.29 3ij6 s PHE 163 CO 0.01 -3.69 1.08 0.34 -0.10 0.00 0.00 175.22 172.86 3ij6 s ASP 164 N 0.61 7.08 0.43 1.36 -1.08 -1.26 -4.92 116.67 118.90 3ij6 s ASP 164 Ca 0.65 1.46 0.23 0.00 -0.52 0.00 0.00 52.55 54.37 3ij6 s ASP 164 Cb -0.48 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.36 3ij6 s ASP 164 CO 0.45 -0.67 1.83 0.00 0.52 0.00 0.00 175.17 177.30 3ij6 h ALA 165 N 7.57 1.06 -0.25 3.66 0.00 -1.99 -2.99 119.26 126.32 3ij6 h ALA 165 Ca -0.22 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 3ij6 h ALA 165 Cb 1.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ij6 h ALA 165 CO 0.97 0.32 -0.39 0.00 0.00 0.00 0.00 179.25 180.15 3ij6 h ARG 166 N 0.00 0.57 -6.36 0.00 3.08 -1.99 -3.44 114.38 106.23 3ij6 h ARG 166 Ca -0.00 -0.28 -0.55 0.00 0.07 0.00 0.00 59.98 59.22 3ij6 h ARG 166 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3ij6 h ARG 166 CO 0.03 0.86 0.55 0.15 -1.07 0.00 0.00 179.97 180.50 3ij6 s LYS 167 N -4.28 4.44 0.69 0.04 1.02 -1.13 -5.05 119.74 115.47 3ij6 s LYS 167 Ca -0.07 1.56 -0.11 0.00 0.02 0.00 0.00 55.97 57.36 3ij6 s LYS 167 Cb 0.12 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3ij6 s LYS 167 CO 0.82 -0.27 1.08 -1.25 -0.92 0.00 0.00 175.35 174.82 3ij6 s PRO 168 N 1.59 3.01 -1.47 -1.68 0.04 -1.26 -4.33 135.00 130.90 3ij6 s PRO 168 Ca 0.54 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 3ij6 s PRO 168 Cb -0.23 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3ij6 s PRO 168 CO 0.24 -0.94 0.34 -0.25 0.04 0.00 0.00 177.00 176.43 3ij6 n ASP 169 N -2.96 -5.56 -4.71 6.66 8.00 -1.26 -4.98 116.55 111.74 3ij6 n ASP 169 Ca 0.07 -0.17 -0.42 0.00 0.71 0.00 0.00 54.79 54.98 3ij6 n ASP 169 Cb 0.56 -4.48 -0.03 0.00 -0.02 0.00 0.00 41.12 37.16 3ij6 n ASP 169 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ij6 s ASN 170 N -2.52 6.52 0.17 -2.24 0.01 -1.26 -4.95 114.94 110.66 3ij6 s ASN 170 Ca 0.17 2.69 -0.05 0.00 -0.71 0.00 0.00 52.86 54.96 3ij6 s ASN 170 Cb -0.07 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 3ij6 s ASN 170 CO 0.21 -0.89 0.19 0.54 -1.51 0.00 0.00 177.10 175.64 3ij6 s ASN 171 N 1.42 0.14 0.17 -1.22 2.20 -1.26 -5.05 114.94 111.34 3ij6 s ASN 171 Ca 0.73 -1.13 0.25 0.00 -0.94 0.00 0.00 52.86 51.78 3ij6 s ASN 171 Cb -0.45 0.39 0.91 0.00 -2.00 0.00 0.00 41.25 40.10 3ij6 s ASN 171 CO 0.32 -0.85 1.78 0.18 -2.94 0.00 0.00 177.10 175.58 3ij6 n LEU 172 N -0.21 0.58 -0.01 3.54 4.77 -1.26 -3.18 117.00 121.23 3ij6 n LEU 172 Ca -0.04 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.42 3ij6 n LEU 172 Cb 0.64 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 3ij6 n LEU 172 CO 0.28 -0.22 0.32 0.58 -1.33 0.00 0.00 177.39 177.03 3ij6 h VAL 173 N 0.00 1.01 0.00 4.08 2.07 -1.99 -3.45 116.25 117.97 3ij6 h VAL 173 Ca 0.00 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.01 3ij6 h VAL 173 Cb 0.59 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3ij6 h VAL 173 CO 0.00 0.31 -0.95 0.49 0.02 0.00 0.00 177.57 177.44 3ij6 n PHE 174 N -4.79 0.00 -0.18 1.57 3.72 -1.25 -4.88 117.46 111.65 3ij6 n PHE 174 Ca -0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.29 3ij6 n PHE 174 Cb 0.28 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.87 3ij6 n PHE 174 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3ij6 h SER 175 N 0.00 0.43 -0.52 4.37 0.02 -1.85 -1.92 113.55 114.09 3ij6 h SER 175 Ca 0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3ij6 h SER 175 Cb 0.95 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 3ij6 h SER 175 CO 0.00 0.30 0.34 -0.50 -1.14 0.00 0.00 176.83 175.83 3ij6 h TRP 176 N 0.56 0.57 0.03 3.45 6.55 -1.90 -1.45 115.95 123.77 3ij6 h TRP 176 Ca 0.23 0.01 -0.23 0.00 0.95 0.00 0.00 58.89 59.85 3ij6 h TRP 176 Cb 0.10 -0.19 -0.02 0.00 -0.86 0.00 0.00 29.16 28.19 3ij6 h TRP 176 CO -0.09 0.34 -1.07 0.93 -1.05 0.00 0.00 178.44 177.50 3ij6 h GLU 177 N 0.60 0.07 -0.45 0.49 3.07 -1.70 -1.04 114.58 115.61 3ij6 h GLU 177 Ca 0.20 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3ij6 h GLU 177 Cb 0.08 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3ij6 h GLU 177 CO -0.05 1.05 0.18 -0.92 -1.40 0.00 0.00 179.01 177.86 3ij6 h TYR 178 N 0.02 0.69 -0.79 4.33 3.20 -1.22 -2.46 116.97 120.74 3ij6 h TYR 178 Ca -0.05 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.78 3ij6 h TYR 178 Cb 1.82 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.85 3ij6 h TYR 178 CO 0.02 0.60 0.52 0.93 -1.64 0.00 0.00 178.16 178.59 3ij6 h GLU 179 N 0.59 1.04 -0.72 1.82 4.39 -0.94 0.24 114.58 121.01 3ij6 h GLU 179 Ca 0.15 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3ij6 h GLU 179 Cb 0.20 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3ij6 h GLU 179 CO -0.01 0.69 0.39 -0.07 -1.16 0.00 0.00 179.01 178.85 3ij6 h LEU 180 N 1.08 0.89 -0.17 1.33 3.38 -1.20 -0.67 115.31 119.95 3ij6 h LEU 180 Ca 0.29 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3ij6 h LEU 180 Cb -0.12 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.40 3ij6 h LEU 180 CO -0.06 0.72 -0.30 0.28 0.09 0.00 0.00 178.44 179.17 3ij6 h SER 181 N 1.01 0.56 -0.06 -0.43 0.02 -0.80 -1.35 113.55 112.50 3ij6 h SER 181 Ca 0.26 -0.54 0.03 0.00 -0.84 0.00 0.00 61.79 60.70 3ij6 h SER 181 Cb 0.03 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3ij6 h SER 181 CO -0.04 1.00 -0.15 1.56 -1.14 0.00 0.00 176.83 178.05 3ij6 h GLN 182 N 0.15 -0.21 -0.42 3.45 1.08 -0.40 -0.95 115.11 117.81 3ij6 h GLN 182 Ca 0.01 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3ij6 h GLN 182 Cb 0.89 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 3ij6 h GLN 182 CO 0.07 -0.14 0.25 0.00 -0.95 0.00 0.00 178.83 178.05 3ij6 h ALA 183 N 0.78 0.54 -0.92 3.87 0.00 -1.10 0.95 119.26 123.38 3ij6 h ALA 183 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ij6 h ALA 183 Cb 0.32 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3ij6 h ALA 183 CO -0.19 0.05 0.61 0.52 0.00 0.00 0.00 179.25 180.23 3ij6 h MET 184 N 0.56 1.19 -0.24 0.00 2.86 -1.13 -0.16 114.93 118.02 3ij6 h MET 184 Ca 0.15 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3ij6 h MET 184 Cb 0.02 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 3ij6 h MET 184 CO -0.03 0.79 -0.07 1.25 1.06 0.00 0.00 176.91 179.91 3ij6 h LEU 185 N 1.23 0.47 -0.79 1.22 5.85 -0.68 -2.14 115.31 120.47 3ij6 h LEU 185 Ca 0.35 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3ij6 h LEU 185 Cb -0.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3ij6 h LEU 185 CO -0.09 0.74 -0.06 1.56 -0.34 0.00 0.00 178.44 180.26 3ij6 h GLN 186 N 0.20 0.85 -0.32 1.25 4.20 -0.63 -0.63 115.11 120.03 3ij6 h GLN 186 Ca 0.06 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3ij6 h GLN 186 Cb 0.54 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3ij6 h GLN 186 CO 0.03 0.89 0.15 -0.07 -0.67 0.00 0.00 178.83 179.16 3ij6 h LEU 187 N 0.78 0.42 -0.17 1.46 3.38 -1.01 -1.83 115.31 118.35 3ij6 h LEU 187 Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ij6 h LEU 187 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3ij6 h LEU 187 CO 0.03 0.43 0.05 0.58 0.09 0.00 0.00 178.44 179.62 3ij6 h VAL 188 N 0.38 1.19 0.00 1.22 2.07 -1.18 -2.37 116.25 117.57 3ij6 h VAL 188 Ca 0.11 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3ij6 h VAL 188 Cb 0.12 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3ij6 h VAL 188 CO -0.01 0.18 -0.18 1.56 0.02 0.00 0.00 177.57 179.14 3ij6 h GLN 189 N 0.09 0.00 -0.72 1.57 4.20 -1.12 -1.15 115.11 117.98 3ij6 h GLN 189 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3ij6 h GLN 189 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3ij6 h GLN 189 CO -0.00 0.18 0.00 -1.13 -0.67 0.00 0.00 178.83 177.21 3ij6 n SER 190 N -3.73 3.47 -1.83 1.46 3.41 -0.69 -4.93 113.62 110.79 3ij6 n SER 190 Ca -0.02 -2.45 -0.18 0.00 -0.26 0.00 0.00 58.87 55.96 3ij6 n SER 190 Cb 0.29 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3ij6 n SER 190 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ij6 n ASP 191 N 0.40 -5.21 -0.18 4.04 8.00 -0.44 -4.92 116.55 118.25 3ij6 n ASP 191 Ca 0.15 0.13 -0.02 0.00 0.71 0.00 0.00 54.79 55.77 3ij6 n ASP 191 Cb 0.73 -4.28 0.08 0.00 -0.02 0.00 0.00 41.12 37.62 3ij6 n ASP 191 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ij6 h LEU 192 N 0.00 0.23 -0.61 0.64 5.85 -1.60 -0.75 115.31 119.07 3ij6 h LEU 192 Ca -0.41 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3ij6 h LEU 192 Cb 1.27 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3ij6 h LEU 192 CO 0.51 0.16 -0.12 0.49 -0.34 0.00 0.00 178.44 179.14 3ij6 n PHE 193 N -4.98 0.00 0.04 1.25 3.72 -1.26 -0.47 117.46 115.76 3ij6 n PHE 193 Ca 0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.26 3ij6 n PHE 193 Cb 0.22 -0.08 -0.14 0.00 -0.94 0.00 0.00 39.48 38.54 3ij6 n PHE 193 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3ij6 h GLN 194 N 1.49 0.29 -0.07 -1.08 1.08 -1.71 -3.04 115.11 112.08 3ij6 h GLN 194 Ca 0.00 -0.50 -0.05 0.00 -1.45 0.00 0.00 58.65 56.65 3ij6 h GLN 194 Cb 0.46 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3ij6 h GLN 194 CO 0.00 1.24 -0.14 -0.44 -0.95 0.00 0.00 178.83 178.54 3ij6 h ASP 195 N -0.32 0.24 -2.30 1.46 3.32 -1.16 -3.40 116.42 114.26 3ij6 h ASP 195 Ca -0.21 -0.57 -0.59 0.00 0.02 0.00 0.00 57.03 55.68 3ij6 h ASP 195 Cb 1.72 -0.07 -0.41 0.00 0.22 0.00 0.00 39.33 40.79 3ij6 h ASP 195 CO 0.13 0.76 -0.71 -1.22 -1.72 0.00 0.00 179.24 176.48 3ij6 n TYR 196 N -4.62 2.55 0.19 4.55 4.01 0.38 -4.95 117.16 119.27 3ij6 n TYR 196 Ca -0.08 -4.02 0.03 0.00 -0.16 0.00 0.00 57.90 53.67 3ij6 n TYR 196 Cb 0.38 -0.48 0.12 0.00 -0.31 0.00 0.00 39.34 39.04 3ij6 n TYR 196 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3ij6 n PRO 197 N 1.23 0.00 -0.06 -0.72 -0.04 -1.15 -2.28 135.00 131.99 3ij6 n PRO 197 Ca 0.27 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 64.22 3ij6 n PRO 197 Cb 0.43 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.51 3ij6 n PRO 197 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3ij6 n ASN 198 N -1.49 2.82 -4.73 3.54 0.23 -1.26 -4.97 115.26 109.40 3ij6 n ASN 198 Ca 0.01 -1.85 -0.42 0.00 -0.53 0.00 0.00 54.58 51.80 3ij6 n ASN 198 Cb 0.06 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 37.66 3ij6 n ASN 198 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3ij6 s LEU 199 N -1.51 4.37 -0.34 -4.53 2.96 -0.97 -4.98 118.68 113.68 3ij6 s LEU 199 Ca 0.26 2.72 -0.12 0.00 -0.22 0.00 0.00 54.13 56.77 3ij6 s LEU 199 Cb 0.17 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 3ij6 s LEU 199 CO 0.25 -0.84 0.21 -0.54 -1.32 0.00 0.00 176.35 174.11 3ij6 s LYS 200 N 0.59 3.31 -0.14 1.98 1.02 -1.26 -4.94 119.74 120.30 3ij6 s LYS 200 Ca 0.68 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.92 3ij6 s LYS 200 Cb -0.45 -3.72 0.02 0.00 -0.52 0.00 0.00 37.83 33.16 3ij6 s LYS 200 CO 0.36 -0.49 -0.15 0.42 -0.92 0.00 0.00 175.35 174.57 3ij6 s ILE 201 N 1.66 1.62 -0.39 2.17 1.01 -1.26 -0.34 121.20 125.67 3ij6 s ILE 201 Ca 0.05 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 3ij6 s ILE 201 Cb -0.18 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.80 3ij6 s ILE 201 CO 0.08 0.47 0.62 -0.22 0.00 0.00 0.00 174.94 175.89 3ij6 s LEU 202 N 1.36 4.37 -0.18 2.97 2.96 0.17 -0.43 118.68 129.90 3ij6 s LEU 202 Ca 0.03 -0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.69 3ij6 s LEU 202 Cb -0.13 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 3ij6 s LEU 202 CO -0.09 -0.65 0.42 -0.69 -1.32 0.00 0.00 176.35 174.02 3ij6 s VAL 203 N 2.70 5.19 0.48 1.68 1.01 0.20 -0.46 120.40 131.21 3ij6 s VAL 203 Ca 0.23 0.78 -0.23 0.00 0.00 0.00 0.00 61.98 62.75 3ij6 s VAL 203 Cb -0.14 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 3ij6 s VAL 203 CO 0.16 0.27 1.31 -2.28 0.00 0.00 0.00 175.10 174.56 3ij6 s HIS 204 N 1.13 2.56 -0.39 5.22 2.46 -1.03 -1.99 115.29 123.26 3ij6 s HIS 204 Ca 0.21 1.40 -0.02 0.00 0.47 0.00 0.00 55.06 57.12 3ij6 s HIS 204 Cb -0.15 -3.69 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 3ij6 s HIS 204 CO 0.08 -2.41 0.26 0.72 -2.47 0.00 0.00 174.74 170.92 3ij6 n HIS 205 N -0.53 -0.68 -1.77 3.88 8.25 -1.26 -4.06 115.22 119.04 3ij6 n HIS 205 Ca 0.07 0.22 -0.16 0.00 -0.26 0.00 0.00 57.72 57.59 3ij6 n HIS 205 Cb 0.45 -2.03 -0.05 0.00 1.12 0.00 0.00 29.99 29.48 3ij6 n HIS 205 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ij6 n ALA 206 N -2.81 -0.33 -0.58 -1.41 0.00 -0.85 -1.86 120.51 112.67 3ij6 n ALA 206 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3ij6 n ALA 206 Cb 0.52 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3ij6 n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ij6 n GLY 207 N -0.98 0.67 7.00 0.00 0.00 -1.26 -4.79 105.19 105.84 3ij6 n GLY 207 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3ij6 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij6 n ALA 208 N -0.25 0.00 1.60 4.61 0.00 -0.78 -1.86 120.51 123.83 3ij6 n ALA 208 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3ij6 n ALA 208 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 3ij6 n ALA 208 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ij6 n MET 209 N 14.00 1.29 0.09 0.00 2.81 -1.26 -4.48 117.12 129.57 3ij6 n MET 209 Ca 0.00 -0.58 -0.12 0.00 -1.81 0.00 0.00 57.70 55.19 3ij6 n MET 209 Cb 0.00 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 30.94 3ij6 n MET 209 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3ij6 h VAL 210 N 1.41 0.89 -0.06 2.03 2.07 -1.72 -2.55 116.25 118.32 3ij6 h VAL 210 Ca 0.00 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3ij6 h VAL 210 Cb 0.35 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3ij6 h VAL 210 CO 0.00 0.18 0.03 -0.65 0.02 0.00 0.00 177.57 177.15 3ij6 h PRO 211 N -0.71 0.08 0.07 1.57 0.11 -1.78 0.56 132.00 131.90 3ij6 h PRO 211 Ca -0.03 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.83 3ij6 h PRO 211 Cb 0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3ij6 h PRO 211 CO 0.04 0.06 -1.11 0.35 -0.21 0.00 0.00 178.00 177.14 3ij6 h PHE 212 N 0.08 0.42 -0.38 0.65 3.57 -1.86 -3.36 116.94 116.06 3ij6 h PHE 212 Ca 0.02 -0.28 -0.17 0.00 3.53 0.00 0.00 57.97 61.07 3ij6 h PHE 212 Cb 0.01 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.62 3ij6 h PHE 212 CO 0.00 1.18 -0.01 1.19 -2.23 0.00 0.00 178.31 178.44 3ij6 n PHE 213 N -3.57 1.21 0.04 0.41 3.72 -0.79 -4.63 117.46 113.85 3ij6 n PHE 213 Ca -0.06 -1.48 0.01 0.00 -0.05 0.00 0.00 57.45 55.86 3ij6 n PHE 213 Cb 0.95 -0.49 0.33 0.00 -0.94 0.00 0.00 39.48 39.33 3ij6 n PHE 213 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ij6 h SER 214 N 1.15 0.40 -0.76 4.37 4.64 -1.07 -2.40 113.55 119.88 3ij6 h SER 214 Ca 0.21 -0.08 0.12 0.00 -0.47 0.00 0.00 61.79 61.58 3ij6 h SER 214 Cb 1.71 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 63.61 3ij6 h SER 214 CO 0.41 0.50 0.36 1.23 -0.87 0.00 0.00 176.83 178.46 3ij6 h GLY 215 N 0.80 1.17 0.90 -0.77 0.00 -1.87 0.15 103.07 103.44 3ij6 h GLY 215 Ca 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3ij6 h GLY 215 CO 0.01 -0.02 -0.00 3.21 0.00 0.00 0.00 176.54 179.74 3ij6 h ARG 216 N 0.56 -0.01 -0.61 4.80 3.08 -1.80 -2.44 114.38 117.96 3ij6 h ARG 216 Ca 0.40 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.50 3ij6 h ARG 216 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 3ij6 h ARG 216 CO -0.34 0.10 0.34 0.82 -1.07 0.00 0.00 179.97 179.82 3ij6 h ILE 217 N -0.11 0.98 0.00 2.04 2.04 -1.17 -1.16 117.51 120.13 3ij6 h ILE 217 Ca -0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3ij6 h ILE 217 Cb 0.11 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3ij6 h ILE 217 CO 0.00 0.12 0.00 0.44 0.00 0.00 0.00 178.15 178.71 3ij6 h ASP 218 N 0.64 0.00 -0.06 1.72 3.32 -0.67 -1.46 116.42 119.91 3ij6 h ASP 218 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ij6 h ASP 218 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3ij6 h ASP 218 CO -0.16 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.77 3ij6 n HIS 219 N -2.93 0.07 -0.04 4.55 8.25 -0.92 -4.65 115.22 119.54 3ij6 n HIS 219 Ca 0.01 -0.07 -0.07 0.00 -0.26 0.00 0.00 57.72 57.33 3ij6 n HIS 219 Cb 0.30 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 3ij6 n HIS 219 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3ij6 n ILE 220 N 0.63 0.45 -3.31 1.59 5.41 -0.48 -5.05 119.36 118.59 3ij6 n ILE 220 Ca 0.07 -0.14 -0.27 0.00 1.00 0.00 0.00 62.75 63.41 3ij6 n ILE 220 Cb 0.31 -1.19 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 3ij6 n ILE 220 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3ij6 s LEU 221 N -5.95 4.02 0.90 1.39 1.02 -0.56 -5.09 118.68 114.41 3ij6 s LEU 221 Ca -0.11 0.65 -0.12 0.00 0.02 0.00 0.00 54.13 54.58 3ij6 s LEU 221 Cb 0.04 -3.49 0.13 0.00 0.02 0.00 0.00 46.19 42.89 3ij6 s LEU 221 CO 0.16 -0.24 1.09 1.51 0.02 0.00 0.00 176.35 178.89 3ij6 s ASP 222 N -3.45 3.41 0.21 2.29 1.47 -1.26 -4.66 116.67 114.69 3ij6 s ASP 222 Ca 0.43 1.48 -0.12 0.00 1.18 0.00 0.00 52.55 55.51 3ij6 s ASP 222 Cb -0.10 -2.16 0.27 0.00 -0.34 0.00 0.00 42.92 40.59 3ij6 s ASP 222 CO 0.33 -2.68 1.63 -0.08 0.68 0.00 0.00 175.17 175.05 3ij6 h GLU 223 N -1.58 0.03 -0.52 2.11 4.57 -1.96 0.39 114.58 117.62 3ij6 h GLU 223 Ca -0.50 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.64 3ij6 h GLU 223 Cb 1.29 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 3ij6 h GLU 223 CO 0.55 0.02 0.15 0.87 -1.18 0.00 0.00 179.01 179.41 3ij6 h LYS 224 N 0.03 0.82 0.06 1.92 1.57 -1.99 -2.65 116.57 116.33 3ij6 h LYS 224 Ca 0.32 -0.19 -0.28 0.00 -1.87 0.00 0.00 60.65 58.63 3ij6 h LYS 224 Cb 0.50 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.72 3ij6 h LYS 224 CO -0.63 0.77 -1.13 0.45 -0.57 0.00 0.00 179.45 178.35 3ij6 h HIS 225 N 0.72 0.95 -0.83 -1.35 3.86 -1.75 -2.87 115.15 113.88 3ij6 h HIS 225 Ca 0.17 -0.56 0.09 0.00 -1.16 0.00 0.00 60.37 58.90 3ij6 h HIS 225 Cb 0.30 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.61 3ij6 h HIS 225 CO 0.02 1.40 0.49 0.00 0.86 0.00 0.00 177.93 180.70 3ij6 h ALA 226 N 0.41 1.18 0.00 2.45 0.00 -0.97 -2.69 119.26 119.64 3ij6 h ALA 226 Ca -0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ij6 h ALA 226 Cb 1.79 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3ij6 h ALA 226 CO 0.21 0.15 0.00 1.96 0.00 0.00 0.00 179.25 181.57 3ij6 h GLN 227 N 0.84 0.00 0.00 0.00 1.08 -1.45 -3.12 115.11 112.46 3ij6 h GLN 227 Ca 0.39 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.56 3ij6 h GLN 227 Cb 0.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3ij6 h GLN 227 CO -0.23 0.00 -0.15 -0.44 -0.95 0.00 0.00 178.83 177.07 3ij6 h ASP 228 N 0.00 0.00 0.13 1.46 5.19 -1.24 -2.64 116.42 119.32 3ij6 h ASP 228 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3ij6 h ASP 228 Cb 0.81 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 3ij6 h ASP 228 CO 0.00 0.15 -0.08 -0.26 -3.12 0.00 0.00 179.24 175.93 3ij6 h PHE 229 N 0.00 0.00 0.00 4.55 0.04 -1.64 -2.40 116.94 117.50 3ij6 h PHE 229 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ij6 h PHE 229 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3ij6 h PHE 229 CO 0.00 0.08 0.00 1.63 -0.60 0.00 0.00 178.31 179.42 3ij6 n LYS 230 N -4.10 0.24 0.17 1.51 5.02 -0.99 -3.26 118.16 116.74 3ij6 n LYS 230 Ca -0.03 0.06 0.10 0.00 -2.02 0.00 0.00 58.31 56.43 3ij6 n LYS 230 Cb 0.16 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.77 3ij6 n LYS 230 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3ij6 h LYS 231 N 0.00 0.00 -7.03 1.97 1.79 -1.58 -3.46 116.57 108.26 3ij6 h LYS 231 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 3ij6 h LYS 231 Cb 0.29 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.03 3ij6 h LYS 231 CO 0.00 0.06 0.52 -0.06 -1.08 0.00 0.00 179.45 178.89 3ij6 s PHE 232 N -3.22 2.66 0.07 -1.35 0.08 -1.20 -4.74 117.98 110.28 3ij6 s PHE 232 Ca 0.04 1.49 -0.00 0.00 0.12 0.00 0.00 56.93 58.57 3ij6 s PHE 232 Cb 0.07 -3.50 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 3ij6 s PHE 232 CO 0.72 -1.95 0.23 0.71 -0.10 0.00 0.00 175.22 174.82 3ij6 s TYR 233 N -1.49 3.51 0.05 0.36 2.02 0.43 -4.95 117.35 117.28 3ij6 s TYR 233 Ca 0.67 0.28 0.02 0.00 -0.37 0.00 0.00 57.07 57.68 3ij6 s TYR 233 Cb -0.32 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 3ij6 s TYR 233 CO 0.38 0.57 -0.08 0.14 -1.57 0.00 0.00 175.55 174.99 3ij6 s VAL 234 N -1.53 0.63 0.62 0.71 -7.23 0.02 0.58 120.40 114.20 3ij6 s VAL 234 Ca 0.36 -1.22 0.08 0.00 -1.81 0.00 0.00 61.98 59.38 3ij6 s VAL 234 Cb -0.13 -0.81 0.11 0.00 0.56 0.00 0.00 36.38 36.11 3ij6 s VAL 234 CO 0.28 -0.43 0.85 -0.90 -0.31 0.00 0.00 175.10 174.58 3ij6 n ASP 235 N 1.23 2.01 -1.60 4.85 5.68 -0.84 -0.65 116.55 127.23 3ij6 n ASP 235 Ca -0.21 -2.49 0.08 0.00 -0.50 0.00 0.00 54.79 51.67 3ij6 n ASP 235 Cb 0.55 -0.47 0.36 0.00 -1.14 0.00 0.00 41.12 40.42 3ij6 n ASP 235 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3ij6 n THR 236 N -2.39 2.33 -1.45 2.12 -2.24 -0.43 -2.00 114.28 110.21 3ij6 n THR 236 Ca 0.17 -1.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.15 3ij6 n THR 236 Cb 0.61 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 3ij6 n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ij6 n ALA 237 N 0.62 6.19 -1.29 6.98 0.00 -1.07 -4.31 120.51 127.62 3ij6 n ALA 237 Ca 0.26 -3.58 0.08 0.00 0.00 0.00 0.00 53.44 50.20 3ij6 n ALA 237 Cb 1.03 -3.45 0.12 0.00 0.00 0.00 0.00 19.45 17.15 3ij6 n ALA 237 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ij6 n ILE 238 N 4.47 1.57 -3.33 0.00 -5.35 -1.26 -4.17 119.36 111.29 3ij6 n ILE 238 Ca 0.63 -1.96 -0.16 0.00 -0.27 0.00 0.00 62.75 60.99 3ij6 n ILE 238 Cb 0.31 -0.10 0.08 0.00 -1.74 0.00 0.00 39.64 38.20 3ij6 n ILE 238 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ij6 n LEU 239 N -1.14 -3.95 0.00 7.28 4.77 -1.26 -4.68 117.00 118.02 3ij6 n LEU 239 Ca 0.13 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3ij6 n LEU 239 Cb 0.66 -2.96 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 3ij6 n LEU 239 CO 0.00 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3ij6 n GLY 240 N -1.13 1.01 2.85 -0.72 0.00 -1.26 -4.92 105.19 101.02 3ij6 n GLY 240 Ca -0.26 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.26 3ij6 n GLY 240 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ij6 n ASN 241 N 0.00 -7.42 -0.13 1.61 2.85 -1.26 -4.74 115.26 106.16 3ij6 n ASN 241 Ca 0.00 0.19 -0.06 0.00 -0.11 0.00 0.00 54.58 54.60 3ij6 n ASN 241 Cb 0.00 -5.02 0.00 0.00 1.24 0.00 0.00 39.78 36.00 3ij6 n ASN 241 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3ij6 h THR 242 N 1.07 0.28 0.00 -0.44 2.02 -1.97 -1.72 112.91 112.15 3ij6 h THR 242 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ij6 h THR 242 Cb 0.96 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3ij6 h THR 242 CO 0.23 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.67 3ij6 h PRO 243 N -0.19 0.00 -0.18 6.66 0.13 -1.93 -0.11 132.00 136.38 3ij6 h PRO 243 Ca 0.20 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.11 3ij6 h PRO 243 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 3ij6 h PRO 243 CO -0.55 0.00 -0.74 0.00 -0.23 0.00 0.00 178.00 176.48 3ij6 h ALA 244 N 2.14 0.34 -0.65 -0.56 0.00 -1.79 -1.97 119.26 116.76 3ij6 h ALA 244 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 3ij6 h ALA 244 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3ij6 h ALA 244 CO 0.00 0.68 0.10 -0.07 0.00 0.00 0.00 179.25 179.96 3ij6 h LEU 245 N 0.57 1.03 -0.39 0.00 3.38 -0.69 -1.77 115.31 117.46 3ij6 h LEU 245 Ca -0.04 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.72 3ij6 h LEU 245 Cb 1.37 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 3ij6 h LEU 245 CO 0.15 1.03 0.16 -0.61 0.09 0.00 0.00 178.44 179.27 3ij6 h GLN 246 N 1.01 0.33 -0.73 1.13 5.75 -1.03 -1.59 115.11 119.98 3ij6 h GLN 246 Ca 0.20 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.71 3ij6 h GLN 246 Cb 0.44 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 3ij6 h GLN 246 CO 0.01 0.22 0.48 1.25 -2.65 0.00 0.00 178.83 178.14 3ij6 h LEU 247 N 0.34 0.78 -0.55 -2.39 5.85 -1.09 -0.13 115.31 118.12 3ij6 h LEU 247 Ca 0.17 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3ij6 h LEU 247 Cb 0.12 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3ij6 h LEU 247 CO -0.15 0.54 0.12 0.00 -0.34 0.00 0.00 178.44 178.61 3ij6 h ALA 248 N 1.57 0.72 -0.80 1.25 0.00 -0.82 -2.15 119.26 119.03 3ij6 h ALA 248 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ij6 h ALA 248 Cb 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3ij6 h ALA 248 CO -0.08 0.44 0.44 0.82 0.00 0.00 0.00 179.25 180.87 3ij6 h ILE 249 N 0.78 1.24 -0.81 0.00 2.04 -0.59 -0.60 117.51 119.56 3ij6 h ILE 249 Ca 0.17 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3ij6 h ILE 249 Cb 0.36 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3ij6 h ILE 249 CO 0.00 0.26 0.39 0.44 0.00 0.00 0.00 178.15 179.24 3ij6 h ASP 250 N 1.11 1.07 0.11 1.72 3.32 -0.78 0.03 116.42 123.01 3ij6 h ASP 250 Ca 0.28 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3ij6 h ASP 250 Cb 0.03 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3ij6 h ASP 250 CO -0.05 0.91 -0.05 0.22 -1.72 0.00 0.00 179.24 178.55 3ij6 h TYR 251 N 1.16 -0.14 0.00 4.55 3.20 -1.30 -3.39 116.97 121.05 3ij6 h TYR 251 Ca 0.28 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3ij6 h TYR 251 Cb 0.13 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3ij6 h TYR 251 CO 0.01 0.09 -0.15 1.88 -1.64 0.00 0.00 178.16 178.36 3ij6 h TYR 252 N -1.01 0.00 0.00 -3.82 0.05 -1.16 -3.48 116.97 107.54 3ij6 h TYR 252 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ij6 h TYR 252 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 3ij6 h TYR 252 CO 0.05 0.07 0.00 0.41 -1.05 0.00 0.00 178.16 177.64 3ij6 n GLY 253 N 1.12 -0.59 0.33 3.88 0.00 -0.00 -4.42 105.19 105.50 3ij6 n GLY 253 Ca 0.03 -1.48 0.17 0.00 0.00 0.00 0.00 46.02 44.75 3ij6 n GLY 253 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ij6 h ILE 254 N 0.00 0.38 0.00 -0.61 6.09 -1.93 -2.30 117.51 119.14 3ij6 h ILE 254 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3ij6 h ILE 254 Cb 0.00 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.18 3ij6 h ILE 254 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 3ij6 n ASP 255 N -3.64 0.82 -0.91 2.19 8.00 -1.26 -3.48 116.55 118.27 3ij6 n ASP 255 Ca -0.01 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.18 3ij6 n ASP 255 Cb 0.22 -0.81 0.20 0.00 -0.02 0.00 0.00 41.12 40.71 3ij6 n ASP 255 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ij6 n HIS 256 N -2.29 0.56 -3.91 1.24 8.25 -0.87 -4.89 115.22 113.31 3ij6 n HIS 256 Ca 0.05 -0.40 -0.35 0.00 -0.26 0.00 0.00 57.72 56.76 3ij6 n HIS 256 Cb 0.40 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.35 3ij6 n HIS 256 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ij6 s VAL 257 N -1.08 3.32 0.05 1.59 1.01 -1.23 -0.80 120.40 123.25 3ij6 s VAL 257 Ca 0.32 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3ij6 s VAL 257 Cb 0.17 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3ij6 s VAL 257 CO 0.23 0.38 -0.26 -0.76 0.00 0.00 0.00 175.10 174.69 3ij6 s LEU 258 N 1.46 2.17 0.04 3.92 1.02 0.18 -4.22 118.68 123.25 3ij6 s LEU 258 Ca 0.05 -0.59 -0.30 0.00 0.02 0.00 0.00 54.13 53.30 3ij6 s LEU 258 Cb -0.15 -1.28 -0.07 0.00 0.02 0.00 0.00 46.19 44.71 3ij6 s LEU 258 CO -0.03 0.25 1.61 0.12 0.02 0.00 0.00 176.35 178.32 3ij6 s PHE 259 N -0.81 2.44 -0.03 0.29 5.36 0.04 -1.32 117.98 123.95 3ij6 s PHE 259 Ca 0.12 0.39 -0.24 0.00 -0.96 0.00 0.00 56.93 56.24 3ij6 s PHE 259 Cb -0.10 -3.90 0.05 0.00 -0.34 0.00 0.00 43.02 38.73 3ij6 s PHE 259 CO 0.02 -3.61 0.53 0.20 -1.46 0.00 0.00 175.22 170.89 3ij6 s GLY 260 N 2.44 -0.40 0.00 13.12 0.00 -1.26 -0.52 107.32 120.70 3ij6 s GLY 260 Ca 0.72 0.87 0.00 0.00 0.00 0.00 0.00 44.72 46.31 3ij6 s GLY 260 CO 0.31 0.57 0.00 -1.30 0.00 0.00 0.00 173.10 172.68 3ij6 n THR 261 N 0.98 0.00 -1.87 0.90 -2.24 -1.25 -2.61 114.28 108.18 3ij6 n THR 261 Ca -0.20 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.56 3ij6 n THR 261 Cb 0.57 -0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 3ij6 n THR 261 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ij6 n ASP 262 N -1.87 -1.87 -4.76 3.42 2.03 -0.56 -4.56 116.55 108.38 3ij6 n ASP 262 Ca 0.00 0.01 -0.40 0.00 0.52 0.00 0.00 54.79 54.92 3ij6 n ASP 262 Cb 0.45 -1.01 0.01 0.00 -0.72 0.00 0.00 41.12 39.86 3ij6 n ASP 262 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ij6 n ALA 263 N -0.74 2.10 -0.27 -1.67 0.00 -1.25 -1.30 120.51 117.37 3ij6 n ALA 263 Ca -0.03 0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.75 3ij6 n ALA 263 Cb 0.44 -2.40 0.29 0.00 0.00 0.00 0.00 19.45 17.79 3ij6 n ALA 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ij6 n PRO 264 N -0.04 3.54 -1.21 0.00 -0.04 -1.26 0.11 135.00 136.10 3ij6 n PRO 264 Ca 0.04 -2.31 -0.29 0.00 -0.04 0.00 0.00 63.50 60.90 3ij6 n PRO 264 Cb 0.41 -1.92 0.15 0.00 -0.04 0.00 0.00 33.50 32.10 3ij6 n PRO 264 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ij6 s PHE 265 N -2.05 2.28 0.00 0.54 0.08 -0.42 -2.27 117.98 116.13 3ij6 s PHE 265 Ca 0.41 1.19 0.00 0.00 0.12 0.00 0.00 56.93 58.64 3ij6 s PHE 265 Cb 0.29 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 3ij6 s PHE 265 CO 0.16 -2.50 0.00 0.00 -0.10 0.00 0.00 175.22 172.77 3ij6 n ALA 266 N -3.94 0.00 -3.80 5.36 0.00 -1.26 -4.34 120.51 112.53 3ij6 n ALA 266 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 3ij6 n ALA 266 Cb 0.56 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.84 3ij6 n ALA 266 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ij6 s VAL 267 N 0.00 0.73 0.46 0.00 1.01 -1.26 -5.04 120.40 116.31 3ij6 s VAL 267 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 3ij6 s VAL 267 Cb 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 3ij6 s VAL 267 CO 0.00 -0.03 0.99 -0.04 0.00 0.00 0.00 175.10 176.02 3ij6 s MET 268 N 1.78 4.02 0.07 2.72 1.00 -1.26 -0.03 119.30 127.60 3ij6 s MET 268 Ca 0.00 1.18 0.08 0.00 0.00 0.00 0.00 55.69 56.95 3ij6 s MET 268 Cb -0.16 -2.14 -0.22 0.00 0.00 0.00 0.00 34.83 32.31 3ij6 s MET 268 CO -0.07 -0.22 1.10 -1.00 0.00 0.00 0.00 175.02 174.83 3ij6 h PRO 269 N 1.62 0.02 0.00 2.03 0.13 -1.93 -3.44 132.00 130.42 3ij6 h PRO 269 Ca -0.49 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 3ij6 h PRO 269 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3ij6 h PRO 269 CO 0.60 0.88 -0.51 0.43 -0.23 0.00 0.00 178.00 179.18 3ij6 n SER 270 N -3.28 1.69 0.00 1.44 7.64 -1.19 -4.66 113.62 115.26 3ij6 n SER 270 Ca -0.05 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.11 3ij6 n SER 270 Cb 0.98 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3ij6 n SER 270 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ij6 n GLY 271 N -1.02 -2.84 2.26 0.23 0.00 0.95 -4.56 105.19 100.22 3ij6 n GLY 271 Ca 0.18 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 3ij6 n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij6 n ALA 272 N -0.27 5.95 -0.21 4.61 0.00 -1.26 -4.69 120.51 124.64 3ij6 n ALA 272 Ca 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 53.44 50.26 3ij6 n ALA 272 Cb 0.00 -1.59 0.12 0.00 0.00 0.00 0.00 19.45 17.98 3ij6 n ALA 272 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3ij6 h ASP 273 N 1.49 0.06 -0.05 0.00 1.82 -1.91 -1.94 116.42 115.90 3ij6 h ASP 273 Ca 0.62 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 57.36 3ij6 h ASP 273 Cb 1.85 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 42.00 3ij6 h ASP 273 CO 1.33 0.03 0.01 -0.61 -1.61 0.00 0.00 179.24 178.40 3ij6 h GLN 274 N 0.30 0.09 -0.19 0.28 4.15 -1.90 -1.33 115.11 116.52 3ij6 h GLN 274 Ca 0.33 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 3ij6 h GLN 274 Cb 0.49 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3ij6 h GLN 274 CO -0.40 0.31 0.06 0.82 -1.93 0.00 0.00 178.83 177.69 3ij6 h ILE 275 N -0.14 1.18 -0.69 2.39 2.04 -1.91 -1.32 117.51 119.05 3ij6 h ILE 275 Ca 0.02 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 3ij6 h ILE 275 Cb 0.26 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3ij6 h ILE 275 CO 0.00 0.17 0.13 0.40 0.00 0.00 0.00 178.15 178.85 3ij6 h ILE 276 N 0.13 1.26 -0.64 -0.67 2.04 -1.38 0.57 117.51 118.83 3ij6 h ILE 276 Ca 0.06 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 3ij6 h ILE 276 Cb 0.21 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3ij6 h ILE 276 CO -0.00 0.39 0.17 0.74 0.00 0.00 0.00 178.15 179.45 3ij6 h THR 277 N 1.06 1.25 -0.48 -0.27 2.02 -1.21 -1.56 112.91 113.72 3ij6 h THR 277 Ca 0.21 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 3ij6 h THR 277 Cb 0.42 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3ij6 h THR 277 CO 0.01 0.34 0.26 -0.61 0.37 0.00 0.00 175.52 175.89 3ij6 h GLN 278 N 0.94 0.67 -0.78 6.66 5.75 -0.88 -1.68 115.11 125.79 3ij6 h GLN 278 Ca 0.20 -0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.65 3ij6 h GLN 278 Cb 0.34 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 3ij6 h GLN 278 CO -0.00 0.53 0.50 0.00 -2.65 0.00 0.00 178.83 177.21 3ij6 h ALA 279 N 1.10 1.03 -0.39 3.38 0.00 -0.65 -1.91 119.26 121.82 3ij6 h ALA 279 Ca 0.17 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3ij6 h ALA 279 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ij6 h ALA 279 CO -0.03 0.32 -0.36 0.82 0.00 0.00 0.00 179.25 180.00 3ij6 h ILE 280 N 0.98 1.27 -0.31 0.00 2.04 -1.18 -3.11 117.51 117.20 3ij6 h ILE 280 Ca 0.31 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3ij6 h ILE 280 Cb 0.00 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3ij6 h ILE 280 CO -0.11 0.51 0.09 0.78 0.00 0.00 0.00 178.15 179.42 3ij6 h ASN 281 N 0.76 0.40 0.04 1.72 2.35 -1.01 -2.79 115.58 117.04 3ij6 h ASN 281 Ca 0.07 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3ij6 h ASN 281 Cb 0.95 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3ij6 h ASN 281 CO 0.09 0.40 0.00 0.47 -1.65 0.00 0.00 177.43 176.74 3ij6 n ASP 282 N -4.38 0.00 -4.77 5.81 8.00 -0.74 -4.89 116.55 115.58 3ij6 n ASP 282 Ca 0.01 -0.79 -0.38 0.00 0.71 0.00 0.00 54.79 54.34 3ij6 n ASP 282 Cb 0.16 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 3ij6 n ASP 282 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ij6 s LEU 283 N -2.05 4.36 -1.44 0.64 1.43 -1.06 -4.95 118.68 115.62 3ij6 s LEU 283 Ca 0.40 2.14 -0.10 0.00 -1.03 0.00 0.00 54.13 55.53 3ij6 s LEU 283 Cb 0.19 -3.89 0.05 0.00 0.03 0.00 0.00 46.19 42.56 3ij6 s LEU 283 CO 0.32 -0.29 2.40 0.41 0.23 0.00 0.00 176.35 179.43 3ij6 n THR 284 N 0.61 4.28 -4.28 5.49 -1.04 -1.26 -4.88 114.28 113.20 3ij6 n THR 284 Ca 0.02 -3.46 -0.15 0.00 -2.04 0.00 0.00 64.05 58.42 3ij6 n THR 284 Cb 0.47 -2.45 -0.10 0.00 -1.82 0.00 0.00 70.33 66.43 3ij6 n THR 284 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3ij6 s ILE 285 N 1.38 0.37 0.83 12.58 -4.36 -1.26 -5.16 121.20 125.59 3ij6 s ILE 285 Ca 0.54 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.82 3ij6 s ILE 285 Cb 0.15 -2.58 0.09 0.00 1.25 0.00 0.00 42.46 41.37 3ij6 s ILE 285 CO -0.06 -0.01 1.10 -0.94 0.24 0.00 0.00 174.94 175.27 3ij6 s SER 286 N -3.26 3.95 0.35 4.36 1.04 -1.26 -4.90 113.70 113.98 3ij6 s SER 286 Ca 0.38 1.78 0.16 0.00 0.48 0.00 0.00 55.95 58.76 3ij6 s SER 286 Cb 0.08 -2.44 0.62 0.00 0.10 0.00 0.00 66.02 64.38 3ij6 s SER 286 CO 0.13 -2.38 1.72 0.44 0.98 0.00 0.00 173.24 174.13 3ij6 h ASP 287 N -1.37 0.00 -0.65 7.02 5.19 -1.99 -2.33 116.42 122.28 3ij6 h ASP 287 Ca -0.45 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.87 3ij6 h ASP 287 Cb 1.25 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 3ij6 h ASP 287 CO 0.51 0.43 0.06 0.50 -3.12 0.00 0.00 179.24 177.62 3ij6 h LYS 288 N 0.00 1.10 -0.32 3.56 3.64 -2.00 -2.43 116.57 120.13 3ij6 h LYS 288 Ca -0.00 -0.32 -0.09 0.00 -1.27 0.00 0.00 60.65 58.97 3ij6 h LYS 288 Cb 0.91 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3ij6 h LYS 288 CO 0.06 1.03 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.65 3ij6 h ASP 289 N 1.02 0.59 -0.35 4.20 3.32 -1.85 -2.30 116.42 121.04 3ij6 h ASP 289 Ca 0.19 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 3ij6 h ASP 289 Cb 0.49 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3ij6 h ASP 289 CO 0.02 0.78 -0.25 0.11 -1.72 0.00 0.00 179.24 178.18 3ij6 h LYS 290 N 0.53 0.78 0.00 3.56 1.57 -1.29 -2.72 116.57 119.00 3ij6 h LYS 290 Ca 0.09 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 3ij6 h LYS 290 Cb 0.61 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3ij6 h LYS 290 CO 0.04 1.00 -0.38 0.37 -0.57 0.00 0.00 179.45 179.91 3ij6 h GLN 291 N 0.56 0.00 -0.02 3.15 4.15 -1.38 -0.68 115.11 120.89 3ij6 h GLN 291 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.51 3ij6 h GLN 291 Cb 0.81 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 3ij6 h GLN 291 CO 0.07 0.38 -0.09 0.87 -1.93 0.00 0.00 178.83 178.12 3ij6 h LYS 292 N 0.00 -0.14 0.70 1.69 1.57 -1.36 -0.69 116.57 118.34 3ij6 h LYS 292 Ca -0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3ij6 h LYS 292 Cb 0.85 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3ij6 h LYS 292 CO 0.05 -0.09 -0.44 0.82 -0.57 0.00 0.00 179.45 179.22 3ij6 h ILE 293 N -0.14 0.11 0.00 1.86 2.04 -1.06 0.26 117.51 120.58 3ij6 h ILE 293 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3ij6 h ILE 293 Cb 0.20 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3ij6 h ILE 293 CO -0.11 0.00 -0.07 -0.26 0.00 0.00 0.00 178.15 177.71 3ij6 h PHE 294 N -1.08 0.00 0.00 1.37 0.04 -1.19 0.15 116.94 116.24 3ij6 h PHE 294 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3ij6 h PHE 294 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 3ij6 h PHE 294 CO -0.11 0.07 0.00 1.58 -0.60 0.00 0.00 178.31 179.25 3ij6 n HIS 295 N -3.80 -2.36 -0.12 -0.55 -0.00 -0.56 0.11 115.22 107.94 3ij6 n HIS 295 Ca -0.02 0.52 -0.12 0.00 0.46 0.00 0.00 57.72 58.55 3ij6 n HIS 295 Cb 0.17 1.33 -0.03 0.00 -0.12 0.00 0.00 29.99 31.34 3ij6 n HIS 295 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3ij6 h ASP 296 N 0.00 0.84 -0.98 0.26 5.19 -0.81 -3.14 116.42 117.78 3ij6 h ASP 296 Ca 0.00 -0.43 0.10 0.00 -0.62 0.00 0.00 57.03 56.08 3ij6 h ASP 296 Cb 0.00 -0.23 -0.08 0.00 0.18 0.00 0.00 39.33 39.20 3ij6 h ASP 296 CO 0.00 1.10 0.63 0.78 -3.12 0.00 0.00 179.24 178.62 3ij6 h ASN 297 N 0.60 0.93 -0.55 6.45 2.35 -0.75 -1.72 115.58 122.89 3ij6 h ASN 297 Ca 0.07 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3ij6 h ASN 297 Cb 0.81 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.98 3ij6 h ASN 297 CO 0.07 0.53 0.28 0.22 -1.65 0.00 0.00 177.43 176.87 3ij6 h TYR 298 N 1.02 0.51 0.00 1.19 3.20 -1.76 -1.80 116.97 119.32 3ij6 h TYR 298 Ca 0.47 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.23 3ij6 h TYR 298 Cb 0.40 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3ij6 h TYR 298 CO -0.00 0.24 -0.63 1.88 -1.64 0.00 0.00 178.16 178.00 3ij6 h TYR 299 N 0.53 0.00 -0.09 -3.82 0.05 -1.40 -2.31 116.97 109.92 3ij6 h TYR 299 Ca 0.25 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.91 3ij6 h TYR 299 Cb 0.17 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3ij6 h TYR 299 CO -0.10 0.63 -0.47 0.77 -1.05 0.00 0.00 178.16 177.94 3ij6 h SER 300 N 0.00 0.24 -0.18 3.88 0.02 -1.32 -2.18 113.55 114.02 3ij6 h SER 300 Ca -0.01 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.67 3ij6 h SER 300 Cb 1.22 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3ij6 h SER 300 CO 0.08 0.68 -0.46 0.25 -1.14 0.00 0.00 176.83 176.24 3ij6 h LEU 301 N 0.19 0.80 -2.72 5.07 5.85 -0.99 -3.23 115.31 120.28 3ij6 h LEU 301 Ca 0.01 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3ij6 h LEU 301 Cb 0.90 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3ij6 h LEU 301 CO 0.07 1.14 0.00 2.30 -0.34 0.00 0.00 178.44 181.61 3ij6 n ILE 302 N -4.02 0.96 0.73 4.05 -5.35 -0.90 -4.67 119.36 110.15 3ij6 n ILE 302 Ca -0.03 -0.98 0.06 0.00 -0.27 0.00 0.00 62.75 61.53 3ij6 n ILE 302 Cb 0.57 0.54 0.34 0.00 -1.74 0.00 0.00 39.64 39.36 3ij6 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08