#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x86 s ILE 2 N 0.00 1.90 -0.16 1.12 1.01 -0.65 0.17 121.20 124.58 2x86 s ILE 2 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.54 2x86 s ILE 2 Cb 0.00 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2x86 s ILE 2 CO 0.00 0.49 -0.05 -0.63 0.00 0.00 0.00 174.94 174.75 2x86 s ILE 3 N -0.60 3.72 -0.30 2.92 1.01 -0.66 -0.79 121.20 126.49 2x86 s ILE 3 Ca 0.09 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2x86 s ILE 3 Cb -0.09 -2.63 0.08 0.00 0.01 0.00 0.00 42.46 39.83 2x86 s ILE 3 CO -0.00 0.49 -0.00 -0.69 0.00 0.00 0.00 174.94 174.73 2x86 s VAL 4 N 0.51 2.00 0.44 2.92 1.01 -0.25 -0.29 120.40 126.74 2x86 s VAL 4 Ca -0.04 -1.90 -0.20 0.00 0.00 0.00 0.00 61.98 59.84 2x86 s VAL 4 Cb -0.15 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 2x86 s VAL 4 CO 0.03 -0.38 0.95 0.42 0.00 0.00 0.00 175.10 176.11 2x86 s THR 5 N 1.10 4.43 -0.69 3.92 -4.23 -0.20 -1.95 115.64 118.02 2x86 s THR 5 Ca 0.03 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 2x86 s THR 5 Cb -0.19 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2x86 s THR 5 CO -0.09 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 2x86 n GLY 6 N -0.78 0.81 0.34 3.99 0.00 0.92 -1.93 105.19 108.53 2x86 n GLY 6 Ca 0.07 -0.26 0.20 0.00 0.00 0.00 0.00 46.02 46.02 2x86 n GLY 6 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x86 h GLY 7 N 0.00 0.00 -1.36 -0.02 0.00 -1.42 0.25 103.07 100.52 2x86 h GLY 7 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2x86 h GLY 7 CO 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.44 2x86 n ALA 8 N -2.00 3.13 -1.77 3.60 0.00 -1.26 -2.62 120.51 119.59 2x86 n ALA 8 Ca -0.03 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 52.69 2x86 n ALA 8 Cb 0.20 -0.80 0.05 0.00 0.00 0.00 0.00 19.45 18.90 2x86 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x86 n GLY 9 N 1.39 -0.31 0.00 0.00 0.00 0.89 -4.74 105.19 102.42 2x86 n GLY 9 Ca 0.11 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2x86 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2x86 n PHE 10 N -2.18 0.00 -0.13 1.61 7.35 -1.23 -1.68 117.46 121.20 2x86 n PHE 10 Ca 0.05 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.63 2x86 n PHE 10 Cb 0.17 -0.48 -0.02 0.00 0.35 0.00 0.00 39.48 39.49 2x86 n PHE 10 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2x86 h ILE 11 N 0.00 1.27 -0.34 -2.13 2.04 -1.86 -2.95 117.51 113.53 2x86 h ILE 11 Ca 0.00 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2x86 h ILE 11 Cb 0.00 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2x86 h ILE 11 CO 0.00 0.35 -0.04 1.23 0.00 0.00 0.00 178.15 179.68 2x86 h GLY 12 N 0.48 0.29 1.60 5.37 0.00 -1.66 -0.77 103.07 108.38 2x86 h GLY 12 Ca 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2x86 h GLY 12 CO 0.02 -0.11 0.06 1.48 0.00 0.00 0.00 176.54 178.00 2x86 h SER 13 N 0.04 0.47 0.18 0.19 4.64 -1.07 -0.63 113.55 117.37 2x86 h SER 13 Ca 0.16 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 2x86 h SER 13 Cb 0.24 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2x86 h SER 13 CO -0.32 0.49 -0.42 0.78 -0.87 0.00 0.00 176.83 176.50 2x86 h ASN 14 N 0.50 0.33 -0.43 4.97 2.35 -1.16 -0.48 115.58 121.65 2x86 h ASN 14 Ca 0.12 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2x86 h ASN 14 Cb 0.23 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2x86 h ASN 14 CO -0.00 0.72 -0.03 0.40 -1.65 0.00 0.00 177.43 176.87 2x86 h ILE 15 N 0.26 1.27 -0.28 2.81 2.04 -0.03 -1.44 117.51 122.13 2x86 h ILE 15 Ca 0.02 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 64.85 2x86 h ILE 15 Cb 0.85 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 2x86 h ILE 15 CO 0.07 0.37 -0.02 0.58 0.00 0.00 0.00 178.15 179.15 2x86 h VAL 16 N 0.62 0.77 -0.45 1.67 2.07 -0.80 -0.24 116.25 119.90 2x86 h VAL 16 Ca 0.12 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2x86 h VAL 16 Cb 0.53 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2x86 h VAL 16 CO 0.03 0.01 0.29 0.50 0.02 0.00 0.00 177.57 178.41 2x86 h LYS 17 N 0.06 0.56 -0.83 1.57 3.64 -0.94 0.10 116.57 120.73 2x86 h LYS 17 Ca 0.13 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2x86 h LYS 17 Cb 0.19 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 2x86 h LYS 17 CO -0.24 0.37 0.54 0.00 -2.27 0.00 0.00 179.45 177.84 2x86 h ALA 18 N 1.18 1.10 -0.38 5.00 0.00 -0.91 0.44 119.26 125.69 2x86 h ALA 18 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2x86 h ALA 18 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2x86 h ALA 18 CO -0.05 0.37 0.13 -0.07 0.00 0.00 0.00 179.25 179.63 2x86 h LEU 19 N 1.05 0.55 -0.48 0.00 3.38 -0.21 -2.23 115.31 117.36 2x86 h LEU 19 Ca 0.33 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.19 2x86 h LEU 19 Cb 0.00 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 2x86 h LEU 19 CO -0.11 0.60 0.06 0.78 0.09 0.00 0.00 178.44 179.85 2x86 h ASN 20 N 0.47 -0.09 0.06 -0.43 -0.26 -0.21 -0.25 115.58 114.88 2x86 h ASN 20 Ca 0.12 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.96 2x86 h ASN 20 Cb 0.24 0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.66 2x86 h ASN 20 CO -0.01 -0.01 -0.03 0.44 -1.06 0.00 0.00 177.43 176.76 2x86 h ASP 21 N 0.18 0.00 -0.33 5.81 3.32 -0.49 0.34 116.42 125.25 2x86 h ASP 21 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2x86 h ASP 21 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2x86 h ASP 21 CO -0.35 0.03 0.00 0.29 -1.72 0.00 0.00 179.24 177.48 2x86 n LYS 22 N -3.99 1.83 -0.82 3.56 5.02 -0.60 -4.90 118.16 118.26 2x86 n LYS 22 Ca -0.03 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.98 2x86 n LYS 22 Cb 0.12 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 2x86 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x86 n GLY 23 N 1.10 0.57 3.62 0.72 0.00 0.12 -5.03 105.19 106.28 2x86 n GLY 23 Ca 0.13 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2x86 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x86 s ILE 24 N -2.00 5.30 0.00 -0.61 1.01 -0.21 -4.91 121.20 119.79 2x86 s ILE 24 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2x86 s ILE 24 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2x86 s ILE 24 CO 0.00 0.27 0.13 0.35 0.00 0.00 0.00 174.94 175.69 2x86 n THR 25 N 4.78 0.00 -1.68 2.92 -2.24 -1.26 -2.62 114.28 114.18 2x86 n THR 25 Ca -0.13 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 2x86 n THR 25 Cb 0.52 1.19 -0.00 0.00 -2.10 0.00 0.00 70.33 69.94 2x86 n THR 25 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x86 n ASP 26 N -0.32 4.36 -4.31 3.42 -0.08 -1.26 -3.00 116.55 115.36 2x86 n ASP 26 Ca 0.00 -2.81 -0.32 0.00 -1.51 0.00 0.00 54.79 50.15 2x86 n ASP 26 Cb 0.05 -1.65 -0.16 0.00 2.34 0.00 0.00 41.12 41.70 2x86 n ASP 26 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2x86 s ILE 27 N 3.11 2.27 -0.26 5.18 1.01 -1.26 -1.64 121.20 129.60 2x86 s ILE 27 Ca 0.49 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 2x86 s ILE 27 Cb 0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2x86 s ILE 27 CO -0.09 0.57 0.11 -0.22 0.00 0.00 0.00 174.94 175.31 2x86 s LEU 28 N -0.30 3.64 -0.17 2.97 2.96 0.03 0.41 118.68 128.21 2x86 s LEU 28 Ca 0.01 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.65 2x86 s LEU 28 Cb -0.13 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 2x86 s LEU 28 CO 0.02 -0.03 0.30 -0.69 -1.32 0.00 0.00 176.35 174.63 2x86 s VAL 29 N 1.61 5.30 -0.16 1.68 1.01 -0.65 -1.09 120.40 128.09 2x86 s VAL 29 Ca 0.06 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 2x86 s VAL 29 Cb -0.15 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2x86 s VAL 29 CO 0.06 0.37 -0.13 -0.69 0.00 0.00 0.00 175.10 174.71 2x86 s VAL 30 N 0.63 2.92 0.00 2.92 1.01 -0.82 -1.03 120.40 126.02 2x86 s VAL 30 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2x86 s VAL 30 Cb -0.13 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2x86 s VAL 30 CO 0.04 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 174.98 2x86 n ASP 31 N 4.00 0.00 -3.73 3.32 -0.08 -0.86 -0.05 116.55 119.15 2x86 n ASP 31 Ca -0.19 -0.85 -0.29 0.00 -1.51 0.00 0.00 54.79 51.95 2x86 n ASP 31 Cb 0.52 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.82 2x86 n ASP 31 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2x86 s ASN 32 N -0.55 3.55 -0.17 1.67 2.47 -1.26 -0.03 114.94 120.61 2x86 s ASN 32 Ca 0.00 -1.26 0.11 0.00 0.42 0.00 0.00 52.86 52.13 2x86 s ASN 32 Cb 0.00 -0.74 0.63 0.00 -1.45 0.00 0.00 41.25 39.70 2x86 s ASN 32 CO 0.00 -0.36 1.47 -0.11 -3.72 0.00 0.00 177.10 174.37 2x86 n LEU 33 N 4.95 4.59 -0.25 3.21 7.94 -1.26 -4.46 117.00 131.73 2x86 n LEU 33 Ca -0.06 -2.33 0.01 0.00 -1.11 0.00 0.00 56.01 52.53 2x86 n LEU 33 Cb 0.44 -0.63 0.09 0.00 0.53 0.00 0.00 43.42 43.85 2x86 n LEU 33 CO 0.12 0.56 0.74 0.50 -1.11 0.00 0.00 177.39 178.19 2x86 h LYS 34 N 3.12 0.01 -6.20 1.96 1.63 -2.05 -2.66 116.57 112.38 2x86 h LYS 34 Ca 0.00 -0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.26 2x86 h LYS 34 Cb 1.60 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.15 2x86 h LYS 34 CO 0.36 0.01 1.20 0.34 -3.45 0.00 0.00 179.45 177.91 2x86 s ASP 35 N -5.23 6.10 0.60 4.20 2.15 -1.26 -4.86 116.67 118.37 2x86 s ASP 35 Ca -0.14 -0.68 0.31 0.00 0.43 0.00 0.00 52.55 52.47 2x86 s ASP 35 Cb 0.21 -2.56 1.81 0.00 -0.30 0.00 0.00 42.92 42.09 2x86 s ASP 35 CO 0.75 -1.85 2.21 1.23 -0.17 0.00 0.00 175.17 177.33 2x86 h GLY 36 N 13.62 0.00 2.00 2.66 0.00 -1.86 -2.64 103.07 116.85 2x86 h GLY 36 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2x86 h GLY 36 CO 1.31 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 176.94 2x86 h THR 37 N 0.00 0.00 0.00 4.70 1.35 -1.89 -1.22 112.91 115.85 2x86 h THR 37 Ca 0.03 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2x86 h THR 37 Cb 0.18 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 2x86 h THR 37 CO -0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 2x86 h LYS 38 N 0.00 0.00 -0.60 4.72 1.57 -1.82 -2.93 116.57 117.52 2x86 h LYS 38 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2x86 h LYS 38 Cb 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2x86 h LYS 38 CO 0.00 0.00 0.40 0.27 -0.57 0.00 0.00 179.45 179.55 2x86 h PHE 39 N 0.00 0.47 -1.02 -1.35 -5.15 -1.47 -1.53 116.94 106.89 2x86 h PHE 39 Ca 0.00 0.01 0.27 0.00 -0.20 0.00 0.00 57.97 58.06 2x86 h PHE 39 Cb 0.21 -0.15 -0.13 0.00 0.22 0.00 0.00 35.95 36.10 2x86 h PHE 39 CO 0.00 0.23 0.60 -0.39 -2.00 0.00 0.00 178.31 176.75 2x86 h VAL 40 N 0.45 0.46 0.00 0.88 -1.51 -1.77 0.21 116.25 114.97 2x86 h VAL 40 Ca 0.27 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 2x86 h VAL 40 Cb 0.48 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 2x86 h VAL 40 CO -0.08 0.09 0.00 0.78 -1.23 0.00 0.00 177.57 177.13 2x86 h ASN 41 N 0.48 0.00 0.00 4.19 2.35 -1.53 -2.69 115.58 118.39 2x86 h ASN 41 Ca 0.67 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.42 2x86 h ASN 41 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2x86 h ASN 41 CO -0.49 0.00 -1.61 0.18 -1.65 0.00 0.00 177.43 173.85 2x86 n LEU 42 N -3.01 0.02 -0.34 1.61 4.77 0.65 -4.76 117.00 115.94 2x86 n LEU 42 Ca -0.01 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2x86 n LEU 42 Cb 0.17 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.61 2x86 n LEU 42 CO 0.22 0.01 1.20 1.62 -1.33 0.00 0.00 177.39 179.11 2x86 h VAL 43 N 0.00 0.72 -0.51 4.08 3.04 -0.93 0.23 116.25 122.88 2x86 h VAL 43 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2x86 h VAL 43 Cb 0.63 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 2x86 h VAL 43 CO 0.00 0.13 0.00 -0.90 -1.01 0.00 0.00 177.57 175.79 2x86 n ASP 44 N -4.71 3.07 -4.94 3.17 5.75 -1.26 -4.94 116.55 112.70 2x86 n ASP 44 Ca 0.22 -1.97 -0.23 0.00 -0.01 0.00 0.00 54.79 52.81 2x86 n ASP 44 Cb 0.58 -0.33 0.01 0.00 -1.03 0.00 0.00 41.12 40.34 2x86 n ASP 44 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x86 s LEU 45 N -1.16 3.01 -0.22 -2.12 1.43 0.82 -5.11 118.68 115.31 2x86 s LEU 45 Ca 0.39 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2x86 s LEU 45 Cb 0.21 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.92 2x86 s LEU 45 CO 0.28 -1.07 -0.04 0.20 0.23 0.00 0.00 176.35 175.95 2x86 s ASN 46 N -4.37 3.64 0.28 2.29 0.01 -1.26 -5.06 114.94 110.48 2x86 s ASN 46 Ca 0.46 -1.09 0.06 0.00 -0.71 0.00 0.00 52.86 51.58 2x86 s ASN 46 Cb -0.04 -1.07 -0.06 0.00 0.41 0.00 0.00 41.25 40.49 2x86 s ASN 46 CO 0.28 -0.24 -0.04 0.27 -1.51 0.00 0.00 177.10 175.86 2x86 s ILE 47 N 1.48 1.55 -0.09 0.60 -4.36 -1.26 -4.60 121.20 114.52 2x86 s ILE 47 Ca -0.05 -2.10 0.02 0.00 -0.26 0.00 0.00 60.65 58.27 2x86 s ILE 47 Cb -0.18 -2.50 -0.25 0.00 1.25 0.00 0.00 42.46 40.78 2x86 s ILE 47 CO -0.07 -0.26 0.49 0.00 0.24 0.00 0.00 174.94 175.35 2x86 n ALA 48 N -0.59 1.16 -3.55 2.27 0.00 0.17 -4.82 120.51 115.14 2x86 n ALA 48 Ca -0.05 -0.68 -0.09 0.00 0.00 0.00 0.00 53.44 52.63 2x86 n ALA 48 Cb 0.64 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 2x86 n ALA 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x86 s ASP 49 N -6.60 -0.40 -0.01 0.00 2.15 -1.03 -4.99 116.67 105.79 2x86 s ASP 49 Ca -0.14 -0.13 0.03 0.00 0.43 0.00 0.00 52.55 52.74 2x86 s ASP 49 Cb 0.07 0.52 -0.01 0.00 -0.30 0.00 0.00 42.92 43.20 2x86 s ASP 49 CO 0.79 -0.88 -0.10 -0.47 -0.17 0.00 0.00 175.17 174.34 2x86 s TYR 50 N -3.47 0.96 0.00 -5.34 5.04 -1.26 -1.64 117.35 111.64 2x86 s TYR 50 Ca 0.05 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 2x86 s TYR 50 Cb -0.02 -0.63 -0.00 0.00 0.35 0.00 0.00 41.96 41.66 2x86 s TYR 50 CO -0.07 -0.03 -0.01 1.41 -1.34 0.00 0.00 175.55 175.51 2x86 s MET 51 N -0.16 0.05 0.40 4.97 -2.45 -0.20 -4.97 119.30 116.94 2x86 s MET 51 Ca 0.03 -0.08 -0.24 0.00 -1.25 0.00 0.00 55.69 54.14 2x86 s MET 51 Cb -0.05 0.00 -0.09 0.00 1.25 0.00 0.00 34.83 35.95 2x86 s MET 51 CO -0.00 -0.00 1.10 0.34 1.05 0.00 0.00 175.02 177.51 2x86 s ASP 52 N -0.19 6.63 0.37 1.11 2.15 -1.26 -2.03 116.67 123.45 2x86 s ASP 52 Ca -0.02 2.18 0.11 0.00 0.43 0.00 0.00 52.55 55.26 2x86 s ASP 52 Cb -0.01 -2.60 0.89 0.00 -0.30 0.00 0.00 42.92 40.90 2x86 s ASP 52 CO -0.00 -0.59 1.85 0.07 -0.17 0.00 0.00 175.17 176.33 2x86 h LYS 53 N 2.55 0.59 -0.29 4.34 2.10 -0.79 -1.13 116.57 123.95 2x86 h LYS 53 Ca -0.48 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 57.97 2x86 h LYS 53 Cb 1.23 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2x86 h LYS 53 CO 0.62 0.39 -0.44 1.49 -2.00 0.00 0.00 179.45 179.51 2x86 h GLU 54 N 0.61 0.80 -0.38 0.07 4.57 -1.92 -1.58 114.58 116.75 2x86 h GLU 54 Ca 0.48 -0.48 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2x86 h GLU 54 Cb 0.90 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2x86 h GLU 54 CO -0.23 1.11 -0.03 -0.44 -1.18 0.00 0.00 179.01 178.24 2x86 h ASP 55 N 0.57 0.68 -0.12 1.04 3.32 -1.78 -2.31 116.42 117.82 2x86 h ASP 55 Ca 0.03 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.78 2x86 h ASP 55 Cb 1.04 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 2x86 h ASP 55 CO 0.10 0.85 -0.11 0.15 -1.72 0.00 0.00 179.24 178.51 2x86 h PHE 56 N 0.50 -0.27 -0.28 4.55 3.57 -1.15 -1.40 116.94 122.46 2x86 h PHE 56 Ca 0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2x86 h PHE 56 Cb 0.52 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2x86 h PHE 56 CO 0.04 -0.17 0.02 1.25 -2.23 0.00 0.00 178.31 177.22 2x86 h LEU 57 N -0.13 -0.06 -0.61 0.59 5.85 -1.18 0.11 115.31 119.88 2x86 h LEU 57 Ca 0.08 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.95 2x86 h LEU 57 Cb 0.25 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2x86 h LEU 57 CO -0.20 0.00 0.22 0.40 -0.34 0.00 0.00 178.44 178.52 2x86 h ILE 58 N 0.11 0.76 -0.33 4.05 2.04 -0.92 -0.31 117.51 122.91 2x86 h ILE 58 Ca 0.13 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 2x86 h ILE 58 Cb 0.16 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2x86 h ILE 58 CO -0.21 0.07 -0.27 1.56 0.00 0.00 0.00 178.15 179.31 2x86 h GLN 59 N 0.40 0.76 -0.33 2.37 4.20 -0.49 -1.46 115.11 120.56 2x86 h GLN 59 Ca 0.31 -0.38 0.07 0.00 0.06 0.00 0.00 58.65 58.70 2x86 h GLN 59 Cb 0.38 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.10 2x86 h GLN 59 CO -0.31 1.01 -0.10 0.82 -0.67 0.00 0.00 178.83 179.57 2x86 h ILE 60 N 0.54 0.63 0.00 2.54 1.08 -0.37 -1.09 117.51 120.83 2x86 h ILE 60 Ca 0.06 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.48 2x86 h ILE 60 Cb 0.84 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2x86 h ILE 60 CO 0.07 0.00 -0.22 0.24 -0.69 0.00 0.00 178.15 177.55 2x86 h MET 61 N -0.03 0.00 0.00 2.37 2.86 -0.86 -1.36 114.93 117.91 2x86 h MET 61 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2x86 h MET 61 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2x86 h MET 61 CO -0.36 0.22 -0.18 0.00 1.06 0.00 0.00 176.91 177.66 2x86 n ALA 62 N -2.21 2.76 -2.67 6.32 0.00 -0.57 -4.94 120.51 119.19 2x86 n ALA 62 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 2x86 n ALA 62 Cb 0.44 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.57 2x86 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x86 n GLY 63 N 1.50 0.18 3.76 0.00 0.00 -0.51 -5.03 105.19 105.08 2x86 n GLY 63 Ca 0.06 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2x86 n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x86 s GLU 64 N -5.15 3.05 0.14 1.61 0.41 -0.51 -5.04 118.70 113.21 2x86 s GLU 64 Ca 0.16 1.81 -0.10 0.00 -0.41 0.00 0.00 54.97 56.44 2x86 s GLU 64 Cb -0.07 -1.96 -0.06 0.00 -1.78 0.00 0.00 34.13 30.25 2x86 s GLU 64 CO 0.20 -1.14 0.47 -1.21 -0.49 0.00 0.00 175.26 173.08 2x86 s GLU 65 N -3.29 3.80 -0.06 1.61 0.41 -1.26 -4.82 118.70 115.08 2x86 s GLU 65 Ca 0.76 0.23 0.13 0.00 -0.41 0.00 0.00 54.97 55.68 2x86 s GLU 65 Cb -0.30 -2.87 0.38 0.00 -1.78 0.00 0.00 34.13 29.57 2x86 s GLU 65 CO 0.33 0.46 1.31 1.19 -0.49 0.00 0.00 175.26 178.06 2x86 n PHE 66 N 0.47 0.63 0.00 1.61 3.01 -1.26 -5.09 117.46 116.84 2x86 n PHE 66 Ca -0.04 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.80 2x86 n PHE 66 Cb 0.52 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 2x86 n PHE 66 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2x86 n GLY 67 N 0.20 -0.10 3.42 1.37 0.00 -1.26 -4.84 105.19 103.97 2x86 n GLY 67 Ca 0.15 -1.86 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 2x86 n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x86 s ASP 68 N -4.00 6.57 -0.15 1.61 3.68 -1.26 -5.00 116.67 118.12 2x86 s ASP 68 Ca 0.00 -2.02 -0.23 0.00 2.13 0.00 0.00 52.55 52.43 2x86 s ASP 68 Cb 0.00 -2.36 -0.02 0.00 -1.45 0.00 0.00 42.92 39.09 2x86 s ASP 68 CO 0.00 -1.01 0.72 -0.69 0.13 0.00 0.00 175.17 174.33 2x86 s VAL 69 N 2.32 4.98 -0.06 1.11 1.01 -1.26 -2.68 120.40 125.82 2x86 s VAL 69 Ca 0.27 1.43 0.13 0.00 0.00 0.00 0.00 61.98 63.80 2x86 s VAL 69 Cb -0.09 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 2x86 s VAL 69 CO -0.06 0.13 0.61 1.21 0.00 0.00 0.00 175.10 176.98 2x86 n GLU 70 N 4.71 0.64 -3.56 2.72 2.13 0.13 -4.90 120.64 122.50 2x86 n GLU 70 Ca 0.01 0.27 -0.11 0.00 0.66 0.00 0.00 57.16 57.99 2x86 n GLU 70 Cb 0.50 -1.77 -0.05 0.00 0.27 0.00 0.00 31.44 30.39 2x86 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2x86 s ALA 71 N -2.59 -1.90 -0.19 4.31 0.00 -1.26 -4.15 121.76 115.99 2x86 s ALA 71 Ca -0.06 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 2x86 s ALA 71 Cb 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2x86 s ALA 71 CO 0.82 -0.39 -0.15 0.42 0.00 0.00 0.00 175.76 176.46 2x86 s ILE 72 N -1.54 2.50 -0.46 0.00 1.01 -0.43 -1.66 121.20 120.62 2x86 s ILE 72 Ca -0.01 -0.80 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 2x86 s ILE 72 Cb -0.01 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.42 2x86 s ILE 72 CO 0.00 0.51 0.57 -0.36 0.00 0.00 0.00 174.94 175.66 2x86 s PHE 73 N 1.26 3.09 -1.01 3.97 0.40 0.60 -1.12 117.98 125.18 2x86 s PHE 73 Ca 0.03 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 2x86 s PHE 73 Cb -0.14 -3.28 0.22 0.00 0.51 0.00 0.00 43.02 40.34 2x86 s PHE 73 CO -0.08 -0.88 1.05 -1.58 0.70 0.00 0.00 175.22 174.44 2x86 s HIS 74 N 2.54 3.82 -0.68 0.36 2.46 0.11 -1.03 115.29 122.87 2x86 s HIS 74 Ca 0.17 -2.19 0.21 0.00 0.47 0.00 0.00 55.06 53.72 2x86 s HIS 74 Cb -0.17 -3.97 -0.24 0.00 -0.13 0.00 0.00 32.58 28.07 2x86 s HIS 74 CO 0.15 -1.11 0.78 0.39 -2.47 0.00 0.00 174.74 172.48 2x86 n GLU 75 N 4.14 0.22 -1.98 2.88 -0.58 -0.81 -2.11 120.64 122.39 2x86 n GLU 75 Ca 0.23 -0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.49 2x86 n GLU 75 Cb 0.44 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 2x86 n GLU 75 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2x86 s GLY 76 N -3.50 1.64 -0.19 0.62 0.00 -0.97 -4.65 107.32 100.26 2x86 s GLY 76 Ca 0.03 1.32 -0.34 0.00 0.00 0.00 0.00 44.72 45.73 2x86 s GLY 76 CO 0.88 2.58 1.20 0.00 0.00 0.00 0.00 173.10 177.76 2x86 s ALA 77 N 1.16 -2.06 -0.34 3.20 0.00 -1.26 -4.87 121.76 117.59 2x86 s ALA 77 Ca 0.69 1.62 -0.29 0.00 0.00 0.00 0.00 51.96 53.98 2x86 s ALA 77 Cb -0.42 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2x86 s ALA 77 CO 0.31 -0.54 1.33 0.00 0.00 0.00 0.00 175.76 176.86 2x86 n SER 79 N 8.01 3.48 -4.68 0.00 3.41 -1.26 -4.92 113.62 117.67 2x86 n SER 79 Ca 0.15 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 2x86 n SER 79 Cb 0.47 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 2x86 n SER 79 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2x86 s SER 80 N -1.34 6.98 0.00 4.04 0.15 -1.26 -4.90 113.70 117.38 2x86 s SER 80 Ca 0.39 1.21 0.25 0.00 0.70 0.00 0.00 55.95 58.49 2x86 s SER 80 Cb 0.22 -2.46 1.08 0.00 -1.71 0.00 0.00 66.02 63.16 2x86 s SER 80 CO 0.30 -0.37 1.79 0.35 1.20 0.00 0.00 173.24 176.51 2x86 n THR 81 N 4.62 0.30 -0.07 6.45 -2.24 -1.26 -3.13 114.28 118.96 2x86 n THR 81 Ca 0.04 0.07 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 2x86 n THR 81 Cb 0.49 -0.65 0.18 0.00 -2.10 0.00 0.00 70.33 68.25 2x86 n THR 81 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2x86 n THR 82 N -1.46 0.80 -2.61 4.28 -2.24 -1.26 -4.77 114.28 107.01 2x86 n THR 82 Ca 0.07 -0.90 -0.43 0.00 -2.27 0.00 0.00 64.05 60.52 2x86 n THR 82 Cb 0.27 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 2x86 n THR 82 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2x86 s GLU 83 N -1.06 4.32 0.00 -0.78 2.56 -1.18 -4.94 118.70 117.61 2x86 s GLU 83 Ca 0.29 1.45 0.09 0.00 0.00 0.00 0.00 54.97 56.81 2x86 s GLU 83 Cb 0.16 -3.62 0.17 0.00 2.00 0.00 0.00 34.13 32.84 2x86 s GLU 83 CO 0.21 -0.53 1.02 0.91 -0.56 0.00 0.00 175.26 176.32 2x86 n TRP 84 N 5.84 0.21 -2.46 5.30 7.02 -1.26 -4.58 117.44 127.51 2x86 n TRP 84 Ca 0.11 -0.26 -0.40 0.00 -1.02 0.00 0.00 57.50 55.93 2x86 n TRP 84 Cb 0.47 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 29.31 2x86 n TRP 84 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2x86 s ASP 85 N -0.90 6.06 0.27 -0.99 -1.08 -1.26 -4.83 116.67 113.93 2x86 s ASP 85 Ca 0.16 -0.53 0.03 0.00 -0.52 0.00 0.00 52.55 51.68 2x86 s ASP 85 Cb 0.09 -2.56 0.39 0.00 -1.46 0.00 0.00 42.92 39.39 2x86 s ASP 85 CO 0.13 -1.89 1.69 1.23 0.52 0.00 0.00 175.17 176.85 2x86 h GLY 86 N 13.65 0.46 0.85 2.66 0.00 -1.98 -0.37 103.07 118.34 2x86 h GLY 86 Ca -0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2x86 h GLY 86 CO 1.30 0.37 -0.16 1.70 0.00 0.00 0.00 176.54 179.74 2x86 h LYS 87 N 0.36 -0.36 -0.12 4.80 3.64 -1.99 0.19 116.57 123.09 2x86 h LYS 87 Ca 0.04 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2x86 h LYS 87 Cb 0.75 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2x86 h LYS 87 CO 0.06 -0.24 0.07 -0.92 -2.27 0.00 0.00 179.45 176.15 2x86 h TYR 88 N -0.37 0.17 -0.19 1.91 3.20 -1.95 -1.68 116.97 118.06 2x86 h TYR 88 Ca -0.01 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2x86 h TYR 88 Cb 0.34 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2x86 h TYR 88 CO -0.12 0.19 -0.02 1.98 -1.64 0.00 0.00 178.16 178.55 2x86 h MET 89 N 0.10 0.03 -0.21 1.82 4.05 -0.73 0.12 114.93 120.12 2x86 h MET 89 Ca 0.04 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 2x86 h MET 89 Cb 0.07 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2x86 h MET 89 CO -0.01 0.02 -0.24 0.52 0.23 0.00 0.00 176.91 177.43 2x86 h MET 90 N 0.03 0.38 0.23 0.39 2.86 -0.56 0.33 114.93 118.58 2x86 h MET 90 Ca 0.09 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2x86 h MET 90 Cb 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2x86 h MET 90 CO -0.17 0.60 -0.11 -0.44 1.06 0.00 0.00 176.91 177.84 2x86 h ASP 91 N 0.34 -0.26 0.64 1.22 3.32 -0.55 0.20 116.42 121.33 2x86 h ASP 91 Ca 0.05 -0.25 -0.19 0.00 0.02 0.00 0.00 57.03 56.66 2x86 h ASP 91 Cb 0.61 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2x86 h ASP 91 CO 0.04 0.15 -0.88 -1.13 -1.72 0.00 0.00 179.24 175.70 2x86 h ASN 92 N -0.73 0.20 0.00 6.45 -1.24 -0.72 -0.45 115.58 119.10 2x86 h ASN 92 Ca -0.03 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.81 2x86 h ASN 92 Cb 0.49 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.48 2x86 h ASN 92 CO 0.05 0.98 -0.27 0.59 -1.29 0.00 0.00 177.43 177.50 2x86 n ASN 93 N -3.63 0.70 0.22 1.15 4.13 0.10 -4.41 115.26 113.52 2x86 n ASN 93 Ca -0.03 0.28 -0.09 0.00 1.68 0.00 0.00 54.58 56.42 2x86 n ASN 93 Cb 0.81 -0.62 -0.05 0.00 -1.54 0.00 0.00 39.78 38.39 2x86 n ASN 93 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2x86 h TYR 94 N -0.38 -0.57 -0.43 3.10 3.20 -1.50 -1.95 116.97 118.43 2x86 h TYR 94 Ca 0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 2x86 h TYR 94 Cb 0.27 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 2x86 h TYR 94 CO -0.12 -0.36 0.19 0.37 -1.64 0.00 0.00 178.16 176.61 2x86 h GLN 95 N -1.06 0.38 -0.08 1.82 5.75 -0.62 -0.87 115.11 120.44 2x86 h GLN 95 Ca -0.06 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2x86 h GLN 95 Cb 0.47 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 2x86 h GLN 95 CO 0.10 0.25 -0.12 -0.92 -2.65 0.00 0.00 178.83 175.50 2x86 h TYR 96 N 0.39 -0.29 -0.84 3.99 3.20 -1.15 -0.92 116.97 121.35 2x86 h TYR 96 Ca 0.19 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.12 2x86 h TYR 96 Cb 0.12 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 2x86 h TYR 96 CO -0.12 -0.18 0.53 0.77 -1.64 0.00 0.00 178.16 177.53 2x86 h SER 97 N -0.16 0.86 -0.84 -2.11 0.02 -0.93 -1.35 113.55 109.05 2x86 h SER 97 Ca 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2x86 h SER 97 Cb 0.26 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 2x86 h SER 97 CO -0.18 0.58 0.55 0.11 -1.14 0.00 0.00 176.83 176.75 2x86 h LYS 98 N 1.01 1.06 -0.23 3.45 1.57 -0.25 -0.02 116.57 123.16 2x86 h LYS 98 Ca 0.35 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 2x86 h LYS 98 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2x86 h LYS 98 CO -0.14 0.70 0.04 1.49 -0.57 0.00 0.00 179.45 180.97 2x86 h GLU 99 N 1.09 0.38 -0.05 3.15 4.57 -0.15 -1.06 114.58 122.50 2x86 h GLU 99 Ca 0.32 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2x86 h GLU 99 Cb -0.06 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2x86 h GLU 99 CO -0.09 0.52 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.18 2x86 h LEU 100 N 0.18 -0.03 -0.46 1.64 4.07 -1.02 -2.37 115.31 117.32 2x86 h LEU 100 Ca 0.07 0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.13 2x86 h LEU 100 Cb 0.32 0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.01 2x86 h LEU 100 CO 0.00 -0.01 -0.01 0.25 -1.08 0.00 0.00 178.44 177.60 2x86 h LEU 101 N 0.01 -0.21 -0.62 1.67 5.85 -0.65 -0.20 115.31 121.16 2x86 h LEU 101 Ca 0.03 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2x86 h LEU 101 Cb 0.03 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2x86 h LEU 101 CO -0.05 -0.07 0.26 0.45 -0.34 0.00 0.00 178.44 178.69 2x86 h HIS 102 N 0.10 0.93 -0.38 1.25 3.86 -1.10 0.50 115.15 120.31 2x86 h HIS 102 Ca 0.23 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 2x86 h HIS 102 Cb 0.34 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 2x86 h HIS 102 CO -0.30 0.73 0.15 -0.92 0.86 0.00 0.00 177.93 178.45 2x86 h TYR 103 N 0.86 0.27 -0.21 2.45 3.20 -0.81 -1.31 116.97 121.42 2x86 h TYR 103 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 2x86 h TYR 103 Cb 0.19 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2x86 h TYR 103 CO 0.01 0.12 0.02 0.00 -1.64 0.00 0.00 178.16 176.67 2x86 h LEU 105 N 0.14 0.44 -1.16 0.00 5.85 -0.59 0.32 115.31 120.32 2x86 h LEU 105 Ca 0.06 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2x86 h LEU 105 Cb 0.34 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2x86 h LEU 105 CO 0.01 0.26 -0.41 -0.08 -0.34 0.00 0.00 178.44 177.88 2x86 h GLU 106 N 0.59 0.00 -0.38 1.25 4.81 -1.23 -2.78 114.58 116.85 2x86 h GLU 106 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2x86 h GLU 106 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2x86 h GLU 106 CO -0.25 0.41 0.00 0.54 -0.73 0.00 0.00 179.01 178.98 2x86 n ARG 107 N -3.98 2.36 -3.88 1.92 1.74 -0.60 -4.97 116.66 109.24 2x86 n ARG 107 Ca -0.02 -2.12 -0.29 0.00 -0.77 0.00 0.00 57.85 54.66 2x86 n ARG 107 Cb 0.45 -1.40 0.03 0.00 -1.02 0.00 0.00 32.46 30.52 2x86 n ARG 107 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2x86 n GLU 108 N 1.10 -5.64 -3.26 5.56 1.02 0.92 -4.96 120.64 115.38 2x86 n GLU 108 Ca 0.16 0.61 -0.40 0.00 -0.02 0.00 0.00 57.16 57.52 2x86 n GLU 108 Cb 0.51 -5.49 -0.08 0.00 -0.02 0.00 0.00 31.44 26.36 2x86 n GLU 108 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2x86 s ILE 109 N -3.34 5.09 0.10 -3.67 1.01 0.08 -4.87 121.20 115.60 2x86 s ILE 109 Ca 0.60 0.85 -0.36 0.00 0.00 0.00 0.00 60.65 61.74 2x86 s ILE 109 Cb -0.30 -3.81 -0.16 0.00 0.01 0.00 0.00 42.46 38.20 2x86 s ILE 109 CO 0.82 0.11 1.37 -2.65 0.00 0.00 0.00 174.94 174.60 2x86 n PRO 110 N 5.35 1.32 -4.03 2.79 -0.02 -1.26 -4.55 135.00 134.60 2x86 n PRO 110 Ca -0.05 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.60 2x86 n PRO 110 Cb 0.50 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.69 2x86 n PRO 110 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2x86 s PHE 111 N 0.53 2.58 -0.19 6.00 5.36 -0.52 -1.31 117.98 130.42 2x86 s PHE 111 Ca 0.83 -1.68 0.01 0.00 -0.96 0.00 0.00 56.93 55.13 2x86 s PHE 111 Cb -0.90 -1.73 0.04 0.00 -0.34 0.00 0.00 43.02 40.09 2x86 s PHE 111 CO 0.45 -0.77 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.82 2x86 s LEU 112 N 1.34 2.22 0.32 6.12 1.02 -0.27 -1.10 118.68 128.34 2x86 s LEU 112 Ca -0.01 -0.83 0.05 0.00 0.02 0.00 0.00 54.13 53.36 2x86 s LEU 112 Cb -0.16 -1.25 -0.06 0.00 0.02 0.00 0.00 46.19 44.73 2x86 s LEU 112 CO -0.09 -0.12 0.01 -0.72 0.02 0.00 0.00 176.35 175.45 2x86 s TYR 113 N 1.39 2.06 -0.29 0.29 -0.85 0.11 0.06 117.35 120.12 2x86 s TYR 113 Ca -0.00 -0.82 -0.14 0.00 -0.52 0.00 0.00 57.07 55.59 2x86 s TYR 113 Cb -0.16 -1.31 -0.04 0.00 0.38 0.00 0.00 41.96 40.84 2x86 s TYR 113 CO -0.09 0.18 0.31 0.00 -1.52 0.00 0.00 175.55 174.43 2x86 s ALA 114 N -3.10 3.54 0.19 9.51 0.00 -0.90 -1.08 121.76 129.92 2x86 s ALA 114 Ca 0.34 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2x86 s ALA 114 Cb 0.07 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.54 2x86 s ALA 114 CO 0.15 -0.70 0.00 0.45 0.00 0.00 0.00 175.76 175.65 2x86 n SER 115 N 5.25 0.00 -3.61 0.00 2.88 0.41 -4.87 113.62 113.68 2x86 n SER 115 Ca -0.10 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.29 2x86 n SER 115 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 2x86 n SER 115 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2x86 s SER 116 N -1.00 -0.69 0.00 -3.46 0.15 -1.26 -4.05 113.70 103.38 2x86 s SER 116 Ca 0.00 1.23 0.11 0.00 0.70 0.00 0.00 55.95 57.99 2x86 s SER 116 Cb 0.00 1.20 0.48 0.00 -1.71 0.00 0.00 66.02 66.00 2x86 s SER 116 CO 0.00 -0.31 1.36 0.00 1.20 0.00 0.00 173.24 175.49 2x86 n ALA 117 N 2.25 1.52 0.32 5.45 0.00 -0.41 -1.64 120.51 127.99 2x86 n ALA 117 Ca -0.15 -0.04 0.19 0.00 0.00 0.00 0.00 53.44 53.44 2x86 n ALA 117 Cb 0.56 -1.18 1.06 0.00 0.00 0.00 0.00 19.45 19.89 2x86 n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x86 h ALA 118 N 2.39 1.28 0.00 0.00 0.00 -1.95 -1.44 119.26 119.54 2x86 h ALA 118 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x86 h ALA 118 Cb 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2x86 h ALA 118 CO 0.00 0.00 -0.02 1.79 0.00 0.00 0.00 179.25 181.03 2x86 h THR 119 N 0.00 0.50 0.00 0.00 1.35 -1.57 -1.99 112.91 111.21 2x86 h THR 119 Ca -0.00 -0.07 -0.17 0.00 -0.55 0.00 0.00 66.41 65.62 2x86 h THR 119 Cb 0.01 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 2x86 h THR 119 CO 0.00 0.02 -0.81 1.88 -0.25 0.00 0.00 175.52 176.36 2x86 h TYR 120 N 0.00 0.03 -6.14 4.73 -1.99 -1.49 0.10 116.97 112.21 2x86 h TYR 120 Ca -0.00 -0.02 -0.39 0.00 2.00 0.00 0.00 58.73 60.32 2x86 h TYR 120 Cb 0.04 -0.00 0.09 0.00 2.00 0.00 0.00 36.73 38.86 2x86 h TYR 120 CO 0.00 0.82 -0.88 0.41 -0.00 0.00 0.00 178.16 178.51 2x86 n GLY 121 N 0.79 -1.05 1.90 3.88 0.00 -0.75 -3.85 105.19 106.11 2x86 n GLY 121 Ca -0.01 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.48 2x86 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x86 n GLY 122 N -1.65 -3.56 3.81 -0.02 0.00 -1.26 -4.71 105.19 97.79 2x86 n GLY 122 Ca -0.10 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2x86 n GLY 122 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x86 s ARG 123 N -0.73 1.72 0.00 1.61 1.70 -1.26 -5.05 118.95 116.93 2x86 s ARG 123 Ca -0.05 -0.92 0.08 0.00 -0.47 0.00 0.00 55.73 54.37 2x86 s ARG 123 Cb 0.00 0.60 0.10 0.00 -0.57 0.00 0.00 34.95 35.08 2x86 s ARG 123 CO 0.27 -0.78 0.85 0.25 -1.08 0.00 0.00 175.30 174.81 2x86 n THR 124 N -0.45 0.19 -3.72 4.99 -2.24 -1.26 -4.60 114.28 107.19 2x86 n THR 124 Ca -0.05 -0.60 -0.02 0.00 -2.27 0.00 0.00 64.05 61.11 2x86 n THR 124 Cb 0.60 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.89 2x86 n THR 124 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2x86 n SER 125 N 0.44 -1.12 -3.58 3.42 3.41 -1.26 -5.02 113.62 109.90 2x86 n SER 125 Ca 0.06 -1.59 -0.23 0.00 -0.26 0.00 0.00 58.87 56.84 2x86 n SER 125 Cb 0.25 1.82 0.05 0.00 -0.26 0.00 0.00 64.21 66.06 2x86 n SER 125 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2x86 n ASP 126 N -1.05 -3.76 -4.18 4.04 8.00 -1.26 -4.88 116.55 113.47 2x86 n ASP 126 Ca -0.02 -0.85 -0.43 0.00 0.71 0.00 0.00 54.79 54.21 2x86 n ASP 126 Cb 0.37 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 2x86 n ASP 126 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2x86 n PHE 127 N -4.00 4.07 -4.64 1.24 3.01 -1.26 -4.90 117.46 110.99 2x86 n PHE 127 Ca -0.18 -2.98 -0.33 0.00 1.01 0.00 0.00 57.45 54.96 2x86 n PHE 127 Cb 0.64 -2.37 -0.11 0.00 -0.01 0.00 0.00 39.48 37.63 2x86 n PHE 127 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2x86 s ILE 128 N 2.53 3.61 -1.13 4.37 1.01 -1.26 -3.20 121.20 127.12 2x86 s ILE 128 Ca 0.47 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 2x86 s ILE 128 Cb 0.06 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2x86 s ILE 128 CO 0.00 0.57 2.06 -0.62 0.00 0.00 0.00 174.94 176.94 2x86 n GLU 129 N 2.13 2.21 -3.61 2.79 4.71 -1.26 -4.70 120.64 122.90 2x86 n GLU 129 Ca -0.17 -2.29 -0.16 0.00 -0.01 0.00 0.00 57.16 54.53 2x86 n GLU 129 Cb 0.53 -3.15 -0.07 0.00 -1.01 0.00 0.00 31.44 27.73 2x86 n GLU 129 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2x86 s SER 130 N 4.20 -0.57 0.35 1.62 0.15 -1.26 -5.01 113.70 113.18 2x86 s SER 130 Ca 0.53 0.80 0.10 0.00 0.70 0.00 0.00 55.95 58.08 2x86 s SER 130 Cb 0.13 0.77 0.84 0.00 -1.71 0.00 0.00 66.02 66.05 2x86 s SER 130 CO 0.02 -0.44 1.85 -0.09 1.20 0.00 0.00 173.24 175.79 2x86 h ARG 131 N 3.95 0.65 -0.47 5.44 1.12 -1.95 -1.56 114.38 121.55 2x86 h ARG 131 Ca -0.28 -0.04 0.14 0.00 -1.11 0.00 0.00 59.98 58.69 2x86 h ARG 131 Cb 1.16 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.95 2x86 h ARG 131 CO 0.29 0.43 0.34 0.93 -3.11 0.00 0.00 179.97 178.85 2x86 h GLU 132 N 0.67 0.00 -0.12 0.20 3.07 -1.98 -1.65 114.58 114.78 2x86 h GLU 132 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 2x86 h GLU 132 Cb 0.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2x86 h GLU 132 CO -0.23 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.04 2x86 n TYR 133 N -4.37 0.13 -4.16 4.33 4.02 -0.59 -4.91 117.16 111.61 2x86 n TYR 133 Ca 0.08 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 2x86 n TYR 133 Cb 0.55 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.77 2x86 n TYR 133 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2x86 s GLU 134 N -1.87 3.70 -0.41 -0.72 2.02 -0.62 -4.59 118.70 116.20 2x86 s GLU 134 Ca 0.33 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.95 2x86 s GLU 134 Cb 0.21 -3.07 0.25 0.00 0.10 0.00 0.00 34.13 31.62 2x86 s GLU 134 CO 0.31 0.38 1.05 1.17 0.02 0.00 0.00 175.26 178.19 2x86 n LYS 135 N 3.18 0.40 -1.42 1.61 4.81 0.34 -4.98 118.16 122.09 2x86 n LYS 135 Ca -0.17 -1.19 -0.36 0.00 -0.87 0.00 0.00 58.31 55.71 2x86 n LYS 135 Cb 0.53 -0.75 0.07 0.00 0.02 0.00 0.00 35.03 34.90 2x86 n LYS 135 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2x86 n PRO 136 N 1.79 0.59 0.00 1.64 -0.04 -1.15 -3.97 135.00 133.85 2x86 n PRO 136 Ca 0.07 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2x86 n PRO 136 Cb 0.66 -2.15 0.06 0.00 -0.04 0.00 0.00 33.50 32.04 2x86 n PRO 136 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x86 n LEU 137 N -1.21 2.60 -3.83 1.53 4.77 -1.26 -4.90 117.00 114.72 2x86 n LEU 137 Ca 0.13 -0.92 -0.10 0.00 -0.03 0.00 0.00 56.01 55.10 2x86 n LEU 137 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 2x86 n LEU 137 CO 0.49 0.45 0.14 0.54 -1.33 0.00 0.00 177.39 177.68 2x86 s ASN 138 N -2.10 -0.13 0.42 -1.43 2.20 -1.26 -4.63 114.94 108.00 2x86 s ASN 138 Ca 0.24 -0.63 0.17 0.00 -0.94 0.00 0.00 52.86 51.69 2x86 s ASN 138 Cb 0.19 0.51 0.92 0.00 -2.00 0.00 0.00 41.25 40.87 2x86 s ASN 138 CO 0.38 -0.97 1.89 1.62 -2.94 0.00 0.00 177.10 177.08 2x86 h VAL 139 N 2.36 1.04 0.07 3.54 3.04 -1.88 -0.25 116.25 124.16 2x86 h VAL 139 Ca -0.30 -1.05 0.01 0.00 -1.01 0.00 0.00 66.70 64.35 2x86 h VAL 139 Cb 1.25 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 32.10 2x86 h VAL 139 CO 0.42 0.28 -0.15 0.15 -1.01 0.00 0.00 177.57 177.27 2x86 h PHE 140 N 0.00 -0.38 -0.99 3.17 3.57 -1.86 -0.42 116.94 120.03 2x86 h PHE 140 Ca -0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2x86 h PHE 140 Cb 0.57 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 2x86 h PHE 140 CO 0.00 -0.22 0.66 0.78 -2.23 0.00 0.00 178.31 177.29 2x86 h GLY 141 N -0.28 1.41 1.00 2.40 0.00 -1.45 -1.56 103.07 104.59 2x86 h GLY 141 Ca 0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2x86 h GLY 141 CO -0.10 0.49 0.43 -1.82 0.00 0.00 0.00 176.54 175.54 2x86 h TYR 142 N 1.32 0.90 -0.01 5.60 3.20 -0.67 0.54 116.97 127.86 2x86 h TYR 142 Ca 0.37 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 2x86 h TYR 142 Cb -0.12 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.85 2x86 h TYR 142 CO -0.00 0.60 -0.24 0.66 -1.64 0.00 0.00 178.16 177.54 2x86 h SER 143 N 0.94 0.02 0.03 -2.11 4.64 -0.07 0.25 113.55 117.25 2x86 h SER 143 Ca 0.25 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 2x86 h SER 143 Cb -0.05 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2x86 h SER 143 CO -0.05 0.26 -0.38 0.11 -0.87 0.00 0.00 176.83 175.90 2x86 h LYS 144 N 0.02 0.20 -0.13 4.77 1.79 -1.07 -3.13 116.57 119.01 2x86 h LYS 144 Ca 0.00 -0.26 0.05 0.00 -2.18 0.00 0.00 60.65 58.26 2x86 h LYS 144 Cb 0.43 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 2x86 h LYS 144 CO 0.03 1.03 -0.20 0.35 -1.08 0.00 0.00 179.45 179.58 2x86 h PHE 145 N -0.51 -0.52 -0.34 -1.35 3.57 -0.34 -1.48 116.94 115.98 2x86 h PHE 145 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2x86 h PHE 145 Cb 1.19 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 2x86 h PHE 145 CO 0.20 -0.28 0.10 1.25 -2.23 0.00 0.00 178.31 177.36 2x86 h LEU 146 N -0.25 0.43 -0.37 0.59 5.85 -1.08 -1.01 115.31 119.48 2x86 h LEU 146 Ca 0.10 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 2x86 h LEU 146 Cb 0.40 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2x86 h LEU 146 CO -0.28 0.42 -0.18 0.15 -0.34 0.00 0.00 178.44 178.21 2x86 h PHE 147 N 0.48 0.89 -0.86 1.25 3.57 -1.30 -0.70 116.94 120.26 2x86 h PHE 147 Ca 0.12 -0.22 0.05 0.00 3.53 0.00 0.00 57.97 61.45 2x86 h PHE 147 Cb 0.15 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 2x86 h PHE 147 CO 0.01 0.96 0.54 -0.44 -2.23 0.00 0.00 178.31 177.14 2x86 h ASP 148 N 0.56 0.86 -0.85 0.41 3.32 -0.35 0.20 116.42 120.57 2x86 h ASP 148 Ca 0.08 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2x86 h ASP 148 Cb 0.73 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 2x86 h ASP 148 CO 0.05 0.56 0.48 -0.33 -1.72 0.00 0.00 179.24 178.28 2x86 h GLU 149 N 1.00 1.18 -0.17 3.56 4.39 -0.91 0.52 114.58 124.15 2x86 h GLU 149 Ca 0.37 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 2x86 h GLU 149 Cb 0.13 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2x86 h GLU 149 CO -0.16 0.85 0.02 -0.92 -1.16 0.00 0.00 179.01 177.64 2x86 h TYR 150 N 1.19 0.31 -0.73 4.33 3.20 0.32 -2.61 116.97 122.97 2x86 h TYR 150 Ca 0.30 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.20 2x86 h TYR 150 Cb 0.01 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 2x86 h TYR 150 CO 0.01 0.46 0.41 0.28 -1.64 0.00 0.00 178.16 177.68 2x86 h VAL 151 N 0.07 0.94 -0.73 1.81 2.07 -0.27 -1.84 116.25 118.30 2x86 h VAL 151 Ca 0.05 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.37 2x86 h VAL 151 Cb 0.33 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2x86 h VAL 151 CO 0.00 0.13 0.48 0.03 0.02 0.00 0.00 177.57 178.24 2x86 h ARG 152 N 0.73 0.80 -0.27 1.57 3.08 -0.69 0.87 114.38 120.46 2x86 h ARG 152 Ca 0.34 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 2x86 h ARG 152 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2x86 h ARG 152 CO -0.21 0.53 -0.22 1.96 -1.07 0.00 0.00 179.97 180.96 2x86 h GLN 153 N 0.82 0.51 0.19 0.04 4.20 -0.97 -3.29 115.11 116.61 2x86 h GLN 153 Ca 0.30 -0.18 -0.32 0.00 0.06 0.00 0.00 58.65 58.51 2x86 h GLN 153 Cb 0.16 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 27.92 2x86 h GLN 153 CO -0.10 0.70 -1.49 0.82 -0.67 0.00 0.00 178.83 178.09 2x86 h ILE 154 N 0.45 1.24 -0.69 2.54 1.08 -0.72 -3.41 117.51 118.01 2x86 h ILE 154 Ca 0.07 -2.77 0.12 0.00 -0.39 0.00 0.00 64.86 61.90 2x86 h ILE 154 Cb 0.63 2.92 -0.13 0.00 -3.07 0.00 0.00 36.82 37.17 2x86 h ILE 154 CO 0.05 0.84 -0.31 -0.07 -0.69 0.00 0.00 178.15 177.96 2x86 h LEU 155 N 0.11 -1.11 -2.03 1.44 3.38 -0.98 -1.28 115.31 114.85 2x86 h LEU 155 Ca -0.24 0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2x86 h LEU 155 Cb 2.09 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 43.40 2x86 h LEU 155 CO 0.22 -0.29 0.28 -0.65 0.09 0.00 0.00 178.44 178.09 2x86 h PRO 156 N -0.10 0.00 0.00 1.13 0.11 -1.79 -2.44 132.00 128.91 2x86 h PRO 156 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2x86 h PRO 156 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2x86 h PRO 156 CO -0.75 0.00 -1.28 -1.91 -0.21 0.00 0.00 178.00 173.85 2x86 n GLU 157 N -4.32 0.34 -1.75 1.05 4.07 -0.53 -5.00 120.64 114.50 2x86 n GLU 157 Ca 0.06 -0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 56.69 2x86 n GLU 157 Cb 0.47 -1.56 -0.01 0.00 -0.06 0.00 0.00 31.44 30.28 2x86 n GLU 157 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2x86 n ALA 158 N -1.88 2.23 -0.35 4.31 0.00 -0.92 -4.94 120.51 118.96 2x86 n ALA 158 Ca 0.01 0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.89 2x86 n ALA 158 Cb 0.45 -2.41 0.26 0.00 0.00 0.00 0.00 19.45 17.76 2x86 n ALA 158 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2x86 n ASN 159 N 1.07 3.66 -3.85 0.00 3.02 -1.26 -4.99 115.26 112.91 2x86 n ASN 159 Ca 0.04 -2.09 -0.09 0.00 -0.03 0.00 0.00 54.58 52.41 2x86 n ASN 159 Cb 0.38 -0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 2x86 n ASN 159 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2x86 s SER 160 N -1.03 -0.12 0.25 6.41 1.04 -1.26 -5.00 113.70 114.00 2x86 s SER 160 Ca 0.39 -0.68 -0.31 0.00 0.48 0.00 0.00 55.95 55.83 2x86 s SER 160 Cb 0.22 0.52 -0.11 0.00 0.10 0.00 0.00 66.02 66.75 2x86 s SER 160 CO 0.25 -1.00 1.63 -1.58 0.98 0.00 0.00 173.24 173.52 2x86 s GLN 161 N -3.93 4.13 -0.09 4.02 0.74 -1.26 -4.93 119.66 118.35 2x86 s GLN 161 Ca 0.14 2.57 -0.01 0.00 0.05 0.00 0.00 55.36 58.10 2x86 s GLN 161 Cb 0.01 -3.05 0.03 0.00 1.10 0.00 0.00 33.01 31.09 2x86 s GLN 161 CO -0.00 -0.66 -0.03 0.42 -0.55 0.00 0.00 175.29 174.46 2x86 s ILE 162 N 0.47 0.66 -0.02 -2.34 1.01 -1.26 -1.44 121.20 118.28 2x86 s ILE 162 Ca 0.67 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.28 2x86 s ILE 162 Cb -0.48 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.24 2x86 s ILE 162 CO 0.41 0.31 -0.05 -0.69 0.00 0.00 0.00 174.94 174.92 2x86 s VAL 163 N 1.86 0.49 -0.14 2.92 1.01 -0.26 -0.93 120.40 125.36 2x86 s VAL 163 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2x86 s VAL 163 Cb -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2x86 s VAL 163 CO -0.07 0.18 -0.20 -0.83 0.00 0.00 0.00 175.10 174.18 2x86 s GLY 164 N 0.39 1.40 -0.33 4.51 0.00 -0.21 0.05 107.32 113.12 2x86 s GLY 164 Ca -0.05 -1.04 -0.14 0.00 0.00 0.00 0.00 44.72 43.49 2x86 s GLY 164 CO -0.00 -0.08 0.30 -1.36 0.00 0.00 0.00 173.10 171.96 2x86 s PHE 165 N 0.69 3.22 -1.15 1.90 0.40 -0.24 -0.76 117.98 122.05 2x86 s PHE 165 Ca -0.09 -0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.04 2x86 s PHE 165 Cb -0.16 -2.56 0.15 0.00 0.51 0.00 0.00 43.02 40.95 2x86 s PHE 165 CO 0.01 -0.36 1.40 0.50 0.70 0.00 0.00 175.22 177.47 2x86 s ARG 166 N 1.89 3.95 0.33 0.44 3.52 0.12 -0.44 118.95 128.75 2x86 s ARG 166 Ca 0.09 -2.27 -0.29 0.00 -0.13 0.00 0.00 55.73 53.14 2x86 s ARG 166 Cb -0.17 -5.10 -0.10 0.00 -1.56 0.00 0.00 34.95 28.02 2x86 s ARG 166 CO 0.11 -1.84 1.35 0.71 -0.81 0.00 0.00 175.30 174.82 2x86 s TYR 167 N 2.28 2.96 0.00 5.12 4.12 -1.26 -0.87 117.35 129.70 2x86 s TYR 167 Ca 0.42 1.34 0.00 0.00 0.02 0.00 0.00 57.07 58.85 2x86 s TYR 167 Cb -0.02 -3.76 0.00 0.00 -1.52 0.00 0.00 41.96 36.66 2x86 s TYR 167 CO -0.02 -2.14 0.00 1.19 0.02 0.00 0.00 175.55 174.61 2x86 n PHE 168 N 0.86 0.00 -3.02 2.71 3.72 -0.78 -1.29 117.46 119.65 2x86 n PHE 168 Ca 0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 2x86 n PHE 168 Cb 0.41 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 2x86 n PHE 168 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2x86 s ASN 169 N -1.00 6.55 0.23 4.37 -0.87 -0.65 -4.81 114.94 118.76 2x86 s ASN 169 Ca 0.00 -1.99 -0.28 0.00 -1.57 0.00 0.00 52.86 49.02 2x86 s ASN 169 Cb 0.00 -2.35 -0.09 0.00 -0.02 0.00 0.00 41.25 38.79 2x86 s ASN 169 CO 0.00 -1.01 0.89 -0.69 -2.57 0.00 0.00 177.10 173.72 2x86 s VAL 170 N 2.32 4.19 0.03 1.60 1.01 -1.26 -0.92 120.40 127.38 2x86 s VAL 170 Ca 0.26 1.92 -0.13 0.00 0.00 0.00 0.00 61.98 64.03 2x86 s VAL 170 Cb -0.09 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.08 2x86 s VAL 170 CO -0.06 0.45 0.27 -0.72 0.00 0.00 0.00 175.10 175.05 2x86 s TYR 171 N -1.24 -0.07 -5.00 5.22 -0.85 -0.91 -4.73 117.35 109.77 2x86 s TYR 171 Ca 0.41 -0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.90 2x86 s TYR 171 Cb -0.24 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.16 2x86 s TYR 171 CO 0.29 -0.47 0.00 0.41 -1.52 0.00 0.00 175.55 174.26 2x86 n GLY 172 N 0.71 0.69 3.67 5.49 0.00 -1.26 -0.77 105.19 113.72 2x86 n GLY 172 Ca -0.19 -1.82 -0.44 0.00 0.00 0.00 0.00 46.02 43.57 2x86 n GLY 172 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2x86 n PRO 173 N 0.00 1.98 -1.02 1.61 -0.02 -1.26 -4.04 135.00 132.24 2x86 n PRO 173 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2x86 n PRO 173 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 2x86 n PRO 173 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2x86 n ARG 174 N 1.27 0.00 0.00 -0.52 1.74 -1.26 -4.90 116.66 112.98 2x86 n ARG 174 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2x86 n ARG 174 Cb 0.33 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2x86 n ARG 174 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2x86 n GLU 175 N -0.55 1.74 0.10 5.56 0.28 -1.26 -3.57 120.64 122.93 2x86 n GLU 175 Ca 0.00 -1.12 0.20 0.00 -0.16 0.00 0.00 57.16 56.08 2x86 n GLU 175 Cb 0.22 -0.92 0.72 0.00 1.43 0.00 0.00 31.44 32.90 2x86 n GLU 175 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2x86 h GLY 176 N 0.00 0.00 1.63 -1.84 0.00 -1.94 -0.17 103.07 100.75 2x86 h GLY 176 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x86 h GLY 176 CO 0.00 0.00 -0.23 -2.39 0.00 0.00 0.00 176.54 173.92 2x86 n HIS 177 N -3.55 0.42 1.57 5.60 1.44 -1.26 -4.16 115.22 115.28 2x86 n HIS 177 Ca 0.08 0.12 0.13 0.00 -2.01 0.00 0.00 57.72 56.03 2x86 n HIS 177 Cb 0.68 -0.63 0.75 0.00 0.12 0.00 0.00 29.99 30.90 2x86 n HIS 177 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2x86 n LYS 178 N -1.88 0.78 0.00 -1.40 5.02 -0.08 -4.93 118.16 115.67 2x86 n LYS 178 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2x86 n LYS 178 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2x86 n LYS 178 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x86 n GLY 179 N 0.58 3.14 0.00 0.72 0.00 -1.26 -0.57 105.19 107.81 2x86 n GLY 179 Ca 0.19 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.46 2x86 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x86 n SER 180 N 4.39 0.00 -0.76 1.61 3.41 -1.26 -1.80 113.62 119.21 2x86 n SER 180 Ca 0.00 -0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.60 2x86 n SER 180 Cb 0.00 -0.26 0.31 0.00 -0.26 0.00 0.00 64.21 64.01 2x86 n SER 180 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2x86 n MET 181 N -1.26 2.00 -2.03 4.33 2.00 0.27 -4.95 117.12 117.48 2x86 n MET 181 Ca 0.12 -1.50 -0.32 0.00 0.00 0.00 0.00 57.70 56.00 2x86 n MET 181 Cb 0.18 -1.44 0.01 0.00 0.00 0.00 0.00 33.22 31.97 2x86 n MET 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2x86 s ALA 182 N -1.72 2.84 0.72 3.04 0.00 -0.75 -4.97 121.76 120.92 2x86 s ALA 182 Ca 0.34 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 2x86 s ALA 182 Cb 0.19 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2x86 s ALA 182 CO 0.28 -0.74 0.93 -1.13 0.00 0.00 0.00 175.76 175.11 2x86 n SER 183 N -2.18 0.36 -0.23 0.00 3.41 -1.26 -4.81 113.62 108.92 2x86 n SER 183 Ca 0.08 0.66 -0.01 0.00 -0.26 0.00 0.00 58.87 59.34 2x86 n SER 183 Cb 0.53 -1.39 0.21 0.00 -0.26 0.00 0.00 64.21 63.30 2x86 n SER 183 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2x86 h VAL 184 N -0.25 1.21 -0.31 -3.33 2.07 -1.94 -2.13 116.25 111.57 2x86 h VAL 184 Ca -0.47 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 66.64 2x86 h VAL 184 Cb 1.33 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2x86 h VAL 184 CO 0.47 0.22 -0.33 0.00 0.02 0.00 0.00 177.57 177.95 2x86 h ALA 185 N 1.46 -0.26 -0.35 1.67 0.00 -1.94 0.44 119.26 120.26 2x86 h ALA 185 Ca 0.27 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2x86 h ALA 185 Cb -0.03 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2x86 h ALA 185 CO -0.05 -0.76 0.00 0.35 0.00 0.00 0.00 179.25 178.80 2x86 h PHE 186 N -0.31 -0.01 -0.50 0.00 3.57 -1.77 -1.00 116.94 116.91 2x86 h PHE 186 Ca 0.14 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2x86 h PHE 186 Cb 0.54 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2x86 h PHE 186 CO -0.50 -0.06 0.30 0.45 -2.23 0.00 0.00 178.31 176.26 2x86 h HIS 187 N 0.10 0.67 -0.66 0.41 3.86 -0.77 -1.76 115.15 117.00 2x86 h HIS 187 Ca 0.17 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2x86 h HIS 187 Cb 0.23 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 2x86 h HIS 187 CO -0.24 0.47 0.34 -0.07 0.86 0.00 0.00 177.93 179.29 2x86 h LEU 188 N 0.67 0.85 -0.52 2.43 3.38 -0.64 -0.31 115.31 121.17 2x86 h LEU 188 Ca 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2x86 h LEU 188 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2x86 h LEU 188 CO -0.03 0.73 0.30 -1.13 0.09 0.00 0.00 178.44 178.40 2x86 h ASN 189 N 0.91 0.63 0.35 -0.43 -1.24 -0.79 -0.95 115.58 114.06 2x86 h ASN 189 Ca 0.23 -0.07 -0.21 0.00 0.71 0.00 0.00 56.30 56.96 2x86 h ASN 189 Cb 0.09 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 2x86 h ASN 189 CO -0.03 0.51 -0.87 0.71 -1.29 0.00 0.00 177.43 176.45 2x86 h THR 190 N 0.69 1.41 -0.87 -3.57 1.35 -1.01 -1.55 112.91 109.36 2x86 h THR 190 Ca 0.18 -2.39 0.04 0.00 -0.55 0.00 0.00 66.41 63.70 2x86 h THR 190 Cb 0.00 2.34 -0.05 0.00 -1.73 0.00 0.00 68.15 68.71 2x86 h THR 190 CO -0.03 0.71 0.56 1.56 -0.25 0.00 0.00 175.52 178.06 2x86 h GLN 191 N 0.23 1.03 -0.15 4.72 4.20 -0.90 -2.05 115.11 122.19 2x86 h GLN 191 Ca -0.06 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.37 2x86 h GLN 191 Cb 1.49 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 29.05 2x86 h GLN 191 CO 0.15 0.68 -0.77 -0.07 -0.67 0.00 0.00 178.83 178.15 2x86 h LEU 192 N 1.06 0.88 -1.58 1.46 3.38 -0.90 -0.94 115.31 118.66 2x86 h LEU 192 Ca 0.36 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2x86 h LEU 192 Cb 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2x86 h LEU 192 CO -0.13 1.37 0.00 0.78 0.09 0.00 0.00 178.44 180.54 2x86 h ASN 193 N 0.51 0.00 -0.48 -0.43 2.35 -1.18 -2.62 115.58 113.73 2x86 h ASN 193 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2x86 h ASN 193 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 2x86 h ASN 193 CO 0.15 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.52 2x86 n ASN 194 N -2.87 2.93 0.00 5.81 3.02 -0.78 -4.93 115.26 118.44 2x86 n ASN 194 Ca 0.00 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2x86 n ASN 194 Cb 0.23 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2x86 n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x86 n GLY 195 N 1.38 0.10 3.92 7.41 0.00 -0.99 -4.99 105.19 112.03 2x86 n GLY 195 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2x86 n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x86 s GLU 196 N -1.58 2.11 0.18 1.61 2.02 -0.38 -5.02 118.70 117.64 2x86 s GLU 196 Ca 0.00 -0.09 -0.27 0.00 0.02 0.00 0.00 54.97 54.62 2x86 s GLU 196 Cb 0.00 -2.08 -0.08 0.00 0.10 0.00 0.00 34.13 32.07 2x86 s GLU 196 CO 0.00 -1.38 0.85 -1.54 0.02 0.00 0.00 175.26 173.21 2x86 s SER 197 N -4.54 7.48 0.07 -0.19 1.04 -1.26 -4.27 113.70 112.03 2x86 s SER 197 Ca 0.61 1.76 -0.31 0.00 0.48 0.00 0.00 55.95 58.49 2x86 s SER 197 Cb -0.11 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.40 2x86 s SER 197 CO 0.47 0.15 1.31 -2.16 0.98 0.00 0.00 173.24 173.99 2x86 s PRO 198 N -0.98 4.36 -0.11 4.02 0.04 -1.26 -4.87 135.00 136.20 2x86 s PRO 198 Ca 0.39 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 2x86 s PRO 198 Cb -0.24 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 2x86 s PRO 198 CO 0.28 -0.39 -0.07 0.15 0.04 0.00 0.00 177.00 177.01 2x86 s LYS 199 N 1.33 3.16 0.09 4.56 1.02 -1.26 -1.07 119.74 127.57 2x86 s LYS 199 Ca 0.62 -0.57 0.08 0.00 0.02 0.00 0.00 55.97 56.12 2x86 s LYS 199 Cb -0.33 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 2x86 s LYS 199 CO 0.29 0.44 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.45 2x86 s LEU 200 N -0.21 2.28 0.60 3.17 1.43 -0.29 -4.91 118.68 120.75 2x86 s LEU 200 Ca 0.03 -0.66 -0.20 0.00 -1.03 0.00 0.00 54.13 52.27 2x86 s LEU 200 Cb -0.13 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 2x86 s LEU 200 CO 0.03 0.06 1.32 -0.36 0.23 0.00 0.00 176.35 177.63 2x86 s PHE 201 N -1.12 2.18 0.12 0.29 0.08 -1.26 -1.50 117.98 116.77 2x86 s PHE 201 Ca 0.06 1.43 -0.31 0.00 0.12 0.00 0.00 56.93 58.23 2x86 s PHE 201 Cb -0.10 -3.74 -0.10 0.00 -0.57 0.00 0.00 43.02 38.52 2x86 s PHE 201 CO 0.04 -2.90 1.69 -2.00 -0.10 0.00 0.00 175.22 171.95 2x86 s GLU 202 N -3.16 4.18 0.00 0.44 2.12 -0.24 -2.53 118.70 119.51 2x86 s GLU 202 Ca 0.77 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.55 2x86 s GLU 202 Cb -0.39 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.56 2x86 s GLU 202 CO 0.43 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 2x86 n GLY 203 N 4.01 0.81 0.13 -1.50 0.00 -1.26 -4.69 105.19 102.69 2x86 n GLY 203 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2x86 n GLY 203 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x86 n SER 204 N 0.00 0.63 -0.29 1.61 7.64 -1.05 -1.84 113.62 120.31 2x86 n SER 204 Ca 0.00 0.67 0.07 0.00 1.01 0.00 0.00 58.87 60.62 2x86 n SER 204 Cb 0.00 -0.80 0.23 0.00 -1.01 0.00 0.00 64.21 62.63 2x86 n SER 204 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2x86 h GLU 205 N 0.00 0.57 -0.51 1.43 9.09 -1.93 -2.74 114.58 120.49 2x86 h GLU 205 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 2x86 h GLU 205 Cb 0.32 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2x86 h GLU 205 CO 0.00 0.38 0.00 0.09 0.05 0.00 0.00 179.01 179.53 2x86 n ASN 206 N -4.90 3.48 -4.67 3.06 3.02 -0.77 -4.91 115.26 109.58 2x86 n ASN 206 Ca 0.17 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.38 2x86 n ASN 206 Cb 0.45 -0.33 -0.09 0.00 -0.61 0.00 0.00 39.78 39.19 2x86 n ASN 206 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2x86 s PHE 207 N -1.33 3.32 0.02 3.10 0.08 -1.03 -4.84 117.98 117.30 2x86 s PHE 207 Ca 0.42 0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.70 2x86 s PHE 207 Cb 0.23 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2x86 s PHE 207 CO 0.31 0.15 -0.11 0.15 -0.10 0.00 0.00 175.22 175.62 2x86 s LYS 208 N 0.63 0.82 0.11 0.44 1.02 -0.65 -2.83 119.74 119.27 2x86 s LYS 208 Ca 0.06 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.48 2x86 s LYS 208 Cb -0.12 -0.78 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 2x86 s LYS 208 CO 0.01 0.20 -0.08 1.03 -0.92 0.00 0.00 175.35 175.59 2x86 s ARG 209 N -0.85 0.88 -0.94 1.68 1.81 -0.14 -2.02 118.95 119.37 2x86 s ARG 209 Ca 0.01 -1.34 -0.21 0.00 -1.72 0.00 0.00 55.73 52.46 2x86 s ARG 209 Cb -0.07 -0.32 0.09 0.00 -0.45 0.00 0.00 34.95 34.20 2x86 s ARG 209 CO 0.01 0.01 1.27 0.34 -0.68 0.00 0.00 175.30 176.24 2x86 s ASP 210 N -3.01 6.52 -0.17 0.23 -1.08 -0.78 -0.72 116.67 117.65 2x86 s ASP 210 Ca 0.12 -1.64 -0.28 0.00 -0.52 0.00 0.00 52.55 50.23 2x86 s ASP 210 Cb 0.04 -2.48 -0.00 0.00 -1.46 0.00 0.00 42.92 39.01 2x86 s ASP 210 CO -0.03 -1.32 0.98 -0.36 0.52 0.00 0.00 175.17 174.96 2x86 s PHE 211 N 3.93 3.42 -0.05 -5.34 0.40 -1.26 -1.64 117.98 117.43 2x86 s PHE 211 Ca 0.38 1.46 0.05 0.00 -0.60 0.00 0.00 56.93 58.22 2x86 s PHE 211 Cb -0.04 -3.18 -0.01 0.00 0.51 0.00 0.00 43.02 40.31 2x86 s PHE 211 CO -0.07 -0.34 -0.20 0.54 0.70 0.00 0.00 175.22 175.85 2x86 s VAL 212 N 2.54 1.67 0.19 -0.44 0.11 -0.10 -4.60 120.40 119.78 2x86 s VAL 212 Ca 0.44 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 2x86 s VAL 212 Cb -0.17 -1.43 -0.08 0.00 -1.53 0.00 0.00 36.38 33.18 2x86 s VAL 212 CO 0.12 0.47 1.09 -0.47 -3.33 0.00 0.00 175.10 172.98 2x86 s TYR 213 N -0.02 3.61 0.42 1.54 5.04 -1.26 -2.13 117.35 124.54 2x86 s TYR 213 Ca -0.04 1.62 0.11 0.00 -2.44 0.00 0.00 57.07 56.31 2x86 s TYR 213 Cb -0.13 -3.27 0.94 0.00 0.35 0.00 0.00 41.96 39.86 2x86 s TYR 213 CO 0.03 -0.56 2.01 -0.24 -1.34 0.00 0.00 175.55 175.44 2x86 h VAL 214 N 3.65 0.98 -0.96 3.14 3.04 -1.33 -0.24 116.25 124.53 2x86 h VAL 214 Ca -0.45 -0.17 0.07 0.00 -1.01 0.00 0.00 66.70 65.14 2x86 h VAL 214 Cb 1.21 0.44 -0.07 0.00 -2.01 0.00 0.00 31.29 30.86 2x86 h VAL 214 CO 0.72 0.09 0.61 1.23 -1.01 0.00 0.00 177.57 179.21 2x86 h GLY 215 N 0.50 1.47 0.96 3.17 0.00 -1.92 -0.47 103.07 106.79 2x86 h GLY 215 Ca 0.24 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2x86 h GLY 215 CO -0.07 0.30 -0.19 -0.55 0.00 0.00 0.00 176.54 176.04 2x86 h ASP 216 N 1.11 0.74 -0.47 0.19 3.32 -1.44 -1.88 116.42 117.99 2x86 h ASP 216 Ca 0.42 -0.42 0.07 0.00 0.02 0.00 0.00 57.03 57.13 2x86 h ASP 216 Cb 0.19 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 2x86 h ASP 216 CO -0.18 1.00 0.13 0.58 -1.72 0.00 0.00 179.24 179.05 2x86 h VAL 217 N 0.49 0.78 -0.37 -1.35 2.07 -1.00 -0.03 116.25 116.84 2x86 h VAL 217 Ca 0.07 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2x86 h VAL 217 Cb 0.73 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2x86 h VAL 217 CO 0.05 0.05 0.24 0.00 0.02 0.00 0.00 177.57 177.94 2x86 h ALA 218 N 1.34 0.47 -0.64 1.67 0.00 -0.98 -1.72 119.26 119.40 2x86 h ALA 218 Ca 0.23 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2x86 h ALA 218 Cb 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2x86 h ALA 218 CO -0.27 -0.08 0.39 -0.44 0.00 0.00 0.00 179.25 178.85 2x86 h ASP 219 N 0.50 0.64 -0.40 0.00 3.32 -0.44 -1.55 116.42 118.49 2x86 h ASP 219 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2x86 h ASP 219 Cb -0.05 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2x86 h ASP 219 CO -0.03 0.44 0.25 0.58 -1.72 0.00 0.00 179.24 178.76 2x86 h VAL 220 N 0.77 1.12 -0.04 -1.35 2.07 -0.75 0.02 116.25 118.09 2x86 h VAL 220 Ca 0.26 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.56 2x86 h VAL 220 Cb 0.03 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2x86 h VAL 220 CO -0.11 0.12 -0.22 0.78 0.02 0.00 0.00 177.57 178.16 2x86 h ASN 221 N 0.53 -0.65 -0.34 0.57 2.35 -0.62 -1.37 115.58 116.04 2x86 h ASN 221 Ca 0.15 0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 2x86 h ASN 221 Cb -0.03 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2x86 h ASN 221 CO -0.03 -0.28 0.06 -0.07 -1.65 0.00 0.00 177.43 175.46 2x86 h LEU 222 N -0.33 0.61 -0.38 1.61 3.38 -0.93 -2.19 115.31 117.08 2x86 h LEU 222 Ca 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2x86 h LEU 222 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2x86 h LEU 222 CO -0.23 0.63 0.18 -0.25 0.09 0.00 0.00 178.44 178.87 2x86 h TRP 223 N 0.63 0.55 -0.58 1.13 7.01 -0.32 -1.17 115.95 123.20 2x86 h TRP 223 Ca 0.14 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.02 2x86 h TRP 223 Cb 0.30 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 2x86 h TRP 223 CO 0.01 0.47 0.02 0.74 -2.79 0.00 0.00 178.44 176.89 2x86 h PHE 224 N 0.48 1.06 -0.26 2.65 -1.00 -0.99 -0.77 116.94 118.11 2x86 h PHE 224 Ca 0.13 -0.16 0.04 0.00 2.81 0.00 0.00 57.97 60.78 2x86 h PHE 224 Cb 0.12 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 2x86 h PHE 224 CO -0.01 0.94 0.05 1.25 -1.61 0.00 0.00 178.31 178.92 2x86 h LEU 225 N 0.91 0.01 -1.33 1.54 5.85 -0.98 -0.37 115.31 120.94 2x86 h LEU 225 Ca 0.17 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2x86 h LEU 225 Cb 0.50 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2x86 h LEU 225 CO 0.02 0.04 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.50 2x86 h GLU 226 N 0.15 0.00 0.00 1.25 5.08 -0.79 -3.28 114.58 116.99 2x86 h GLU 226 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2x86 h GLU 226 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2x86 h GLU 226 CO -0.16 0.34 -1.56 0.09 -1.00 0.00 0.00 179.01 176.72 2x86 n ASN 227 N -4.12 0.39 0.00 1.42 3.02 -0.33 -5.00 115.26 110.64 2x86 n ASN 227 Ca -0.02 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2x86 n ASN 227 Cb 0.38 1.51 0.00 0.00 -0.61 0.00 0.00 39.78 41.06 2x86 n ASN 227 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x86 n GLY 228 N 1.34 0.81 3.77 7.41 0.00 -0.18 -5.00 105.19 113.34 2x86 n GLY 228 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2x86 n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x86 s VAL 229 N -3.43 2.76 0.25 1.61 1.01 -1.26 -4.72 120.40 116.62 2x86 s VAL 229 Ca 0.00 0.67 0.07 0.00 0.00 0.00 0.00 61.98 62.72 2x86 s VAL 229 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2x86 s VAL 229 CO 0.00 0.09 0.17 -0.44 0.00 0.00 0.00 175.10 174.92 2x86 s SER 230 N -0.86 5.42 0.00 3.32 0.01 -1.26 -4.72 113.70 115.61 2x86 s SER 230 Ca 0.57 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2x86 s SER 230 Cb -0.36 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.53 2x86 s SER 230 CO 0.46 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.69 2x86 n GLY 231 N -1.12 0.92 3.24 3.44 0.00 -0.10 -4.98 105.19 106.59 2x86 n GLY 231 Ca -0.08 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 2x86 n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x86 s ILE 232 N -1.29 2.77 -0.05 -0.61 1.01 -1.26 -1.05 121.20 120.72 2x86 s ILE 232 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2x86 s ILE 232 Cb 0.00 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.27 2x86 s ILE 232 CO 0.00 0.49 -0.11 -0.36 0.00 0.00 0.00 174.94 174.96 2x86 s PHE 233 N 1.24 1.26 0.38 3.97 0.40 0.06 -4.88 117.98 120.41 2x86 s PHE 233 Ca 0.03 -0.40 -0.27 0.00 -0.60 0.00 0.00 56.93 55.69 2x86 s PHE 233 Cb -0.14 -0.92 -0.11 0.00 0.51 0.00 0.00 43.02 42.36 2x86 s PHE 233 CO -0.06 -0.20 1.27 0.09 0.70 0.00 0.00 175.22 177.02 2x86 n ASN 234 N 3.62 2.62 -3.69 1.36 3.02 -1.26 0.15 115.26 121.08 2x86 n ASN 234 Ca -0.21 1.16 -0.30 0.00 -0.03 0.00 0.00 54.58 55.20 2x86 n ASN 234 Cb 0.52 -1.49 -0.15 0.00 -0.61 0.00 0.00 39.78 38.06 2x86 n ASN 234 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2x86 s LEU 235 N -1.28 1.87 0.00 3.41 0.20 -0.05 -4.73 118.68 118.11 2x86 s LEU 235 Ca 0.58 -1.59 -0.16 0.00 0.69 0.00 0.00 54.13 53.65 2x86 s LEU 235 Cb -0.54 -0.75 0.06 0.00 -0.43 0.00 0.00 46.19 44.53 2x86 s LEU 235 CO 0.60 -0.42 0.85 0.61 -0.29 0.00 0.00 176.35 177.70 2x86 n GLY 236 N 4.91 0.89 0.21 7.98 0.00 -1.26 -1.88 105.19 116.04 2x86 n GLY 236 Ca -0.03 -1.23 0.09 0.00 0.00 0.00 0.00 46.02 44.86 2x86 n GLY 236 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x86 h THR 237 N 1.98 0.54 0.00 2.61 1.35 -1.86 -3.47 112.91 114.06 2x86 h THR 237 Ca -0.32 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 2x86 h THR 237 Cb 1.22 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2x86 h THR 237 CO 0.41 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 2x86 n GLY 238 N 0.38 1.96 3.47 5.82 0.00 -1.26 -4.85 105.19 110.72 2x86 n GLY 238 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2x86 n GLY 238 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x86 s ARG 239 N -0.60 3.63 0.01 1.61 0.52 -1.26 -4.59 118.95 118.27 2x86 s ARG 239 Ca 0.00 -0.54 -0.23 0.00 -0.52 0.00 0.00 55.73 54.44 2x86 s ARG 239 Cb 0.00 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 2x86 s ARG 239 CO 0.00 0.20 0.69 0.00 0.02 0.00 0.00 175.30 176.21 2x86 s ALA 240 N 0.45 3.41 0.07 2.13 0.00 -1.26 -4.39 121.76 122.17 2x86 s ALA 240 Ca -0.04 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2x86 s ALA 240 Cb -0.14 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 2x86 s ALA 240 CO 0.03 0.09 -0.15 -1.21 0.00 0.00 0.00 175.76 174.52 2x86 s GLU 241 N -0.02 0.87 0.59 0.00 2.02 0.10 -4.89 118.70 117.37 2x86 s GLU 241 Ca 0.35 -0.95 -0.15 0.00 0.02 0.00 0.00 54.97 54.24 2x86 s GLU 241 Cb -0.19 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.09 2x86 s GLU 241 CO 0.20 0.21 1.05 -1.54 0.02 0.00 0.00 175.26 175.20 2x86 s SER 242 N -1.66 5.84 0.39 -0.19 1.04 -1.26 -0.97 113.70 116.89 2x86 s SER 242 Ca -0.00 1.78 0.11 0.00 0.48 0.00 0.00 55.95 58.31 2x86 s SER 242 Cb -0.10 -2.53 0.89 0.00 0.10 0.00 0.00 66.02 64.39 2x86 s SER 242 CO 0.02 -1.13 1.92 -0.26 0.98 0.00 0.00 173.24 174.78 2x86 h PHE 243 N 0.41 0.66 -0.89 5.02 -1.00 -1.71 -0.74 116.94 118.68 2x86 h PHE 243 Ca -0.47 0.02 0.15 0.00 2.81 0.00 0.00 57.97 60.49 2x86 h PHE 243 Cb 1.22 -0.21 -0.10 0.00 3.61 0.00 0.00 35.95 40.47 2x86 h PHE 243 CO 0.59 0.28 0.48 0.37 -1.61 0.00 0.00 178.31 178.42 2x86 h GLN 244 N 0.59 0.65 -0.15 1.51 5.75 -1.86 -0.90 115.11 120.69 2x86 h GLN 244 Ca 0.37 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 2x86 h GLN 244 Cb 0.62 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 2x86 h GLN 244 CO -0.14 0.43 0.10 0.00 -2.65 0.00 0.00 178.83 176.57 2x86 h ALA 245 N 1.58 0.19 -0.09 3.38 0.00 -1.49 0.30 119.26 123.13 2x86 h ALA 245 Ca 0.49 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.41 2x86 h ALA 245 Cb 0.70 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2x86 h ALA 245 CO -0.36 -0.31 -0.15 0.28 0.00 0.00 0.00 179.25 178.70 2x86 h VAL 246 N 0.19 0.61 -0.52 0.00 2.07 -1.32 -1.67 116.25 115.61 2x86 h VAL 246 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.67 2x86 h VAL 246 Cb -0.00 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 2x86 h VAL 246 CO -0.01 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.65 2x86 h ALA 247 N 0.81 0.57 -0.15 1.67 0.00 -0.87 -1.91 119.26 119.38 2x86 h ALA 247 Ca 0.08 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2x86 h ALA 247 Cb 0.32 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2x86 h ALA 247 CO -0.21 -0.34 -0.20 -0.44 0.00 0.00 0.00 179.25 178.07 2x86 h ASP 248 N 0.20 -0.62 -0.91 0.00 3.32 -0.52 0.18 116.42 118.07 2x86 h ASP 248 Ca 0.27 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.45 2x86 h ASP 248 Cb 0.39 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 2x86 h ASP 248 CO -0.38 -0.25 0.60 0.00 -1.72 0.00 0.00 179.24 177.50 2x86 h ALA 249 N 0.78 1.38 0.28 3.45 0.00 -0.90 -1.01 119.26 123.23 2x86 h ALA 249 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2x86 h ALA 249 Cb 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2x86 h ALA 249 CO -0.29 0.56 -0.13 1.15 0.00 0.00 0.00 179.25 180.53 2x86 h THR 250 N 1.20 0.67 -0.57 0.00 2.02 -0.90 -2.64 112.91 112.69 2x86 h THR 250 Ca 0.35 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.78 2x86 h THR 250 Cb -0.08 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2x86 h THR 250 CO -0.09 0.14 0.38 -0.07 0.37 0.00 0.00 175.52 176.25 2x86 h LEU 251 N -0.85 0.55 -0.45 2.58 3.38 -0.55 -1.77 115.31 118.21 2x86 h LEU 251 Ca -0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2x86 h LEU 251 Cb 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2x86 h LEU 251 CO 0.06 0.37 0.27 0.00 0.09 0.00 0.00 178.44 179.23 2x86 h ALA 252 N 1.67 0.57 0.08 1.53 0.00 -1.19 0.68 119.26 122.61 2x86 h ALA 252 Ca 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2x86 h ALA 252 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2x86 h ALA 252 CO -0.06 0.06 -0.04 -0.92 0.00 0.00 0.00 179.25 178.29 2x86 h TYR 253 N 0.59 -0.10 0.00 0.00 3.20 -0.99 -3.08 116.97 116.58 2x86 h TYR 253 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2x86 h TYR 253 Cb -0.00 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2x86 h TYR 253 CO -0.03 0.03 0.00 0.72 -1.64 0.00 0.00 178.16 177.24 2x86 n HIS 254 N -5.09 0.00 -1.61 -3.82 8.25 -0.73 -4.89 115.22 107.33 2x86 n HIS 254 Ca -0.08 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.20 2x86 n HIS 254 Cb 0.11 -0.49 -0.07 0.00 1.12 0.00 0.00 29.99 30.67 2x86 n HIS 254 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2x86 n LYS 255 N -1.49 -1.44 -3.83 -0.41 4.76 0.21 -4.90 118.16 111.06 2x86 n LYS 255 Ca 0.04 1.03 -0.07 0.00 -2.87 0.00 0.00 58.31 56.44 2x86 n LYS 255 Cb 0.19 -5.39 -0.00 0.00 -1.84 0.00 0.00 35.03 27.99 2x86 n LYS 255 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2x86 s LYS 256 N -3.66 1.85 0.00 1.97 -2.85 -1.18 -5.06 119.74 110.81 2x86 s LYS 256 Ca 0.00 -1.10 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 2x86 s LYS 256 Cb 0.00 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 2x86 s LYS 256 CO 0.00 -0.86 0.00 0.41 0.10 0.00 0.00 175.35 175.00 2x86 n GLY 257 N -0.50 0.85 2.94 0.59 0.00 -1.26 -4.71 105.19 103.10 2x86 n GLY 257 Ca -0.06 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 2x86 n GLY 257 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x86 s GLN 258 N -3.48 0.11 0.17 1.61 0.74 -1.26 -5.03 119.66 112.52 2x86 s GLN 258 Ca 0.00 0.33 -0.33 0.00 0.05 0.00 0.00 55.36 55.41 2x86 s GLN 258 Cb 0.00 -0.12 -0.13 0.00 1.10 0.00 0.00 33.01 33.85 2x86 s GLN 258 CO 0.00 -0.13 1.61 -0.89 -0.55 0.00 0.00 175.29 175.33 2x86 n ILE 259 N 3.94 0.00 -4.95 -2.34 2.08 -1.26 -4.25 119.36 112.58 2x86 n ILE 259 Ca -0.23 -0.00 -0.33 0.00 0.56 0.00 0.00 62.75 62.75 2x86 n ILE 259 Cb 0.53 -1.64 -0.14 0.00 -0.75 0.00 0.00 39.64 37.64 2x86 n ILE 259 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2x86 s GLU 260 N 0.97 2.50 -0.30 0.38 2.12 -0.24 -5.00 118.70 119.13 2x86 s GLU 260 Ca 0.78 -0.73 -0.12 0.00 0.36 0.00 0.00 54.97 55.26 2x86 s GLU 260 Cb -0.64 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 2x86 s GLU 260 CO 0.36 0.59 0.24 0.71 -0.54 0.00 0.00 175.26 176.62 2x86 s TYR 261 N -0.65 3.22 0.20 5.30 1.51 -1.26 -1.13 117.35 124.54 2x86 s TYR 261 Ca 0.10 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.25 2x86 s TYR 261 Cb -0.11 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 2x86 s TYR 261 CO 0.01 -0.23 0.36 0.96 -1.11 0.00 0.00 175.55 175.53 2x86 s ILE 262 N 1.81 5.25 0.47 2.71 -4.36 -0.56 -4.85 121.20 121.68 2x86 s ILE 262 Ca 0.08 -0.62 -0.24 0.00 -0.26 0.00 0.00 60.65 59.62 2x86 s ILE 262 Cb -0.16 -3.77 -0.08 0.00 1.25 0.00 0.00 42.46 39.69 2x86 s ILE 262 CO 0.11 -0.20 1.20 -2.65 0.24 0.00 0.00 174.94 173.63 2x86 n PRO 263 N -0.85 1.64 -1.99 0.37 -0.02 -1.26 -1.08 135.00 131.80 2x86 n PRO 263 Ca -0.06 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2x86 n PRO 263 Cb 0.55 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2x86 n PRO 263 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2x86 s PHE 264 N -1.27 2.22 0.20 6.00 5.36 -1.26 -4.64 117.98 124.57 2x86 s PHE 264 Ca 0.65 0.29 -0.31 0.00 -0.96 0.00 0.00 56.93 56.60 2x86 s PHE 264 Cb -0.49 -3.91 -0.10 0.00 -0.34 0.00 0.00 43.02 38.18 2x86 s PHE 264 CO 0.55 -3.74 1.55 -2.14 -1.46 0.00 0.00 175.22 169.97 2x86 s PRO 265 N 3.35 4.21 0.22 10.12 0.02 -1.26 -4.90 135.00 146.76 2x86 s PRO 265 Ca 0.73 2.38 -0.10 0.00 0.02 0.00 0.00 61.00 64.03 2x86 s PRO 265 Cb -0.36 -3.13 0.33 0.00 0.02 0.00 0.00 34.50 31.36 2x86 s PRO 265 CO 0.31 -0.57 1.65 -0.44 -0.33 0.00 0.00 177.00 177.61 2x86 h ASP 266 N 6.26 -0.30 0.00 2.53 3.32 -1.98 -1.94 116.42 124.30 2x86 h ASP 266 Ca -0.44 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2x86 h ASP 266 Cb 1.21 0.29 0.00 0.00 0.22 0.00 0.00 39.33 41.05 2x86 h ASP 266 CO 0.88 -0.13 0.02 2.29 -1.72 0.00 0.00 179.24 180.57 2x86 n LYS 267 N -5.30 0.05 -0.00 3.56 2.85 -1.26 -1.54 118.16 116.52 2x86 n LYS 267 Ca 0.10 0.54 0.06 0.00 -1.05 0.00 0.00 58.31 57.96 2x86 n LYS 267 Cb 0.38 -1.69 -0.07 0.00 -0.65 0.00 0.00 35.03 33.00 2x86 n LYS 267 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2x86 n LEU 268 N -1.78 0.53 -4.70 -5.58 4.77 -0.73 -4.85 117.00 104.65 2x86 n LEU 268 Ca -0.01 -0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 55.10 2x86 n LEU 268 Cb 0.03 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2x86 n LEU 268 CO 0.04 0.13 1.38 0.29 -1.33 0.00 0.00 177.39 177.90 2x86 n LYS 269 N -1.37 2.65 -0.07 3.23 5.02 -0.59 -0.25 118.16 126.78 2x86 n LYS 269 Ca 0.02 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 2x86 n LYS 269 Cb 0.21 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.41 2x86 n LYS 269 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x86 n GLY 270 N 3.98 2.72 0.46 0.72 0.00 -1.26 -4.79 105.19 107.02 2x86 n GLY 270 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2x86 n GLY 270 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x86 n ARG 271 N -2.00 1.61 -4.04 1.61 5.12 0.65 -4.94 116.66 114.67 2x86 n ARG 271 Ca 0.00 -1.52 -0.35 0.00 -1.93 0.00 0.00 57.85 54.05 2x86 n ARG 271 Cb 0.00 -1.20 -0.09 0.00 -1.16 0.00 0.00 32.46 30.01 2x86 n ARG 271 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2x86 s TYR 272 N -0.89 3.32 -0.29 -1.55 5.04 -1.04 -4.74 117.35 117.20 2x86 s TYR 272 Ca 0.15 0.21 -0.22 0.00 -2.44 0.00 0.00 57.07 54.77 2x86 s TYR 272 Cb 0.09 -1.99 -0.00 0.00 0.35 0.00 0.00 41.96 40.41 2x86 s TYR 272 CO 0.12 0.36 0.74 -0.65 -1.34 0.00 0.00 175.55 174.78 2x86 s GLN 273 N -0.21 3.99 0.21 4.97 -0.21 -1.26 -4.76 119.66 122.39 2x86 s GLN 273 Ca 0.08 0.56 0.24 0.00 0.02 0.00 0.00 55.36 56.25 2x86 s GLN 273 Cb -0.12 -3.71 0.29 0.00 1.00 0.00 0.00 33.01 30.47 2x86 s GLN 273 CO 0.01 -0.60 1.34 0.00 -2.12 0.00 0.00 175.29 173.92 2x86 h ALA 274 N 8.06 0.68 -2.46 6.09 0.00 -1.91 -3.46 119.26 126.24 2x86 h ALA 274 Ca -0.25 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2x86 h ALA 274 Cb 1.10 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.65 2x86 h ALA 274 CO 0.85 0.00 -0.20 0.12 0.00 0.00 0.00 179.25 180.02 2x86 s PHE 275 N -3.23 -0.72 0.00 0.00 5.36 -1.23 -1.64 117.98 116.51 2x86 s PHE 275 Ca 0.05 1.52 -0.00 0.00 -0.96 0.00 0.00 56.93 57.53 2x86 s PHE 275 Cb 0.11 0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 43.14 2x86 s PHE 275 CO 0.72 -0.39 -0.00 0.95 -1.46 0.00 0.00 175.22 175.04 2x86 s THR 276 N 1.36 0.03 -0.22 0.12 -4.23 -0.85 -4.48 115.64 107.37 2x86 s THR 276 Ca -0.09 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.08 2x86 s THR 276 Cb -0.07 -0.10 0.11 0.00 1.34 0.00 0.00 72.50 73.78 2x86 s THR 276 CO -0.14 -0.15 0.43 -1.58 -0.54 0.00 0.00 174.62 172.64 2x86 s GLN 277 N -0.45 0.35 0.12 3.99 0.74 -1.26 -1.87 119.66 121.28 2x86 s GLN 277 Ca -0.05 0.94 -0.31 0.00 0.05 0.00 0.00 55.36 55.99 2x86 s GLN 277 Cb -0.03 0.18 -0.08 0.00 1.10 0.00 0.00 33.01 34.18 2x86 s GLN 277 CO -0.00 -0.36 1.48 0.00 -0.55 0.00 0.00 175.29 175.85 2x86 s ALA 278 N 2.63 3.66 -0.38 1.58 0.00 -1.26 -4.43 121.76 123.55 2x86 s ALA 278 Ca 0.03 1.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 2x86 s ALA 278 Cb -0.13 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.42 2x86 s ALA 278 CO -0.14 -0.74 0.75 0.34 0.00 0.00 0.00 175.76 175.96 2x86 s ASP 279 N 1.32 6.49 -0.09 0.00 -1.08 -1.19 -4.09 116.67 118.02 2x86 s ASP 279 Ca 0.67 0.21 0.14 0.00 -0.52 0.00 0.00 52.55 53.06 2x86 s ASP 279 Cb -0.39 -2.38 0.58 0.00 -1.46 0.00 0.00 42.92 39.27 2x86 s ASP 279 CO 0.30 -0.74 1.45 0.18 0.52 0.00 0.00 175.17 176.89 2x86 n LEU 280 N 6.39 3.90 0.12 -1.34 4.77 -1.26 -4.53 117.00 125.06 2x86 n LEU 280 Ca 0.02 -1.97 -0.13 0.00 -0.03 0.00 0.00 56.01 53.90 2x86 n LEU 280 Cb 0.48 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2x86 n LEU 280 CO 0.54 0.66 0.65 0.74 -1.33 0.00 0.00 177.39 178.64 2x86 h THR 281 N 3.25 0.32 -0.43 -5.08 2.02 -1.97 0.30 112.91 111.32 2x86 h THR 281 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2x86 h THR 281 Cb 1.22 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2x86 h THR 281 CO 0.19 0.00 0.24 0.78 0.37 0.00 0.00 175.52 177.10 2x86 h ASN 282 N -0.56 0.53 -0.29 4.18 2.35 -1.98 -0.04 115.58 119.77 2x86 h ASN 282 Ca 0.03 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 2x86 h ASN 282 Cb 0.58 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 2x86 h ASN 282 CO -0.17 0.47 -0.14 0.25 -1.65 0.00 0.00 177.43 176.19 2x86 h LEU 283 N 0.56 -0.46 -0.53 1.61 5.85 -1.79 0.60 115.31 121.15 2x86 h LEU 283 Ca 0.15 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 2x86 h LEU 283 Cb 0.05 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2x86 h LEU 283 CO -0.02 -0.17 0.16 0.03 -0.34 0.00 0.00 178.44 178.09 2x86 h ARG 284 N -0.09 0.83 -0.12 1.25 2.47 -0.69 -2.82 114.38 115.21 2x86 h ARG 284 Ca 0.15 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 2x86 h ARG 284 Cb 0.32 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2x86 h ARG 284 CO -0.35 0.77 -0.01 0.00 0.56 0.00 0.00 179.97 180.94 2x86 h ALA 285 N 1.02 1.76 0.00 0.04 0.00 -0.24 0.12 119.26 121.96 2x86 h ALA 285 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2x86 h ALA 285 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2x86 h ALA 285 CO -0.00 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.43 2x86 h ALA 286 N 1.83 1.00 0.00 0.00 0.00 -0.65 -3.46 119.26 117.98 2x86 h ALA 286 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x86 h ALA 286 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2x86 h ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2x86 n GLY 287 N -0.34 1.05 3.61 0.00 0.00 0.41 -5.01 105.19 104.91 2x86 n GLY 287 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2x86 n GLY 287 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2x86 s TYR 288 N -2.00 2.78 0.00 1.61 5.04 -1.17 -4.85 117.35 118.75 2x86 s TYR 288 Ca 0.00 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 2x86 s TYR 288 Cb 0.00 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.12 2x86 s TYR 288 CO 0.00 -1.38 0.69 -0.40 -1.34 0.00 0.00 175.55 173.12 2x86 n ASP 289 N 7.81 1.37 -4.79 4.32 3.85 -1.26 -4.07 116.55 123.78 2x86 n ASP 289 Ca 0.13 -1.40 -0.34 0.00 -0.71 0.00 0.00 54.79 52.47 2x86 n ASP 289 Cb 0.48 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.24 2x86 n ASP 289 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 2x86 s LYS 290 N -0.40 3.53 0.67 0.11 1.02 -1.26 -5.03 119.74 118.37 2x86 s LYS 290 Ca 0.00 1.46 -0.11 0.00 0.02 0.00 0.00 55.97 57.34 2x86 s LYS 290 Cb 0.00 -2.05 -0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2x86 s LYS 290 CO 0.00 -0.67 1.05 -1.25 -0.92 0.00 0.00 175.35 173.56 2x86 s PRO 291 N -3.36 3.08 -0.02 -1.68 0.04 -1.26 -5.08 135.00 126.72 2x86 s PRO 291 Ca 0.69 0.48 0.03 0.00 0.04 0.00 0.00 61.00 62.24 2x86 s PRO 291 Cb -0.20 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2x86 s PRO 291 CO 0.25 -0.86 -0.09 -0.06 0.04 0.00 0.00 177.00 176.29 2x86 s PHE 292 N -3.26 2.85 0.20 0.56 0.40 -1.26 -5.09 117.98 112.37 2x86 s PHE 292 Ca 0.57 -0.06 -0.31 0.00 -0.60 0.00 0.00 56.93 56.53 2x86 s PHE 292 Cb -0.11 -1.62 -0.10 0.00 0.51 0.00 0.00 43.02 41.70 2x86 s PHE 292 CO 0.51 0.33 1.55 0.15 0.70 0.00 0.00 175.22 178.46 2x86 s LYS 293 N -1.20 4.21 0.92 0.44 1.02 -1.26 -5.00 119.74 118.87 2x86 s LYS 293 Ca 0.15 2.38 -0.12 0.00 0.02 0.00 0.00 55.97 58.40 2x86 s LYS 293 Cb -0.11 -3.13 0.14 0.00 -0.52 0.00 0.00 37.83 34.21 2x86 s LYS 293 CO 0.05 -0.57 1.10 0.95 -0.92 0.00 0.00 175.35 175.95 2x86 s THR 294 N 0.77 2.50 0.17 2.17 -4.23 -1.26 -4.58 115.64 111.17 2x86 s THR 294 Ca 0.67 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 61.19 2x86 s THR 294 Cb -0.44 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 70.78 2x86 s THR 294 CO 0.36 -0.21 1.71 0.58 -0.54 0.00 0.00 174.62 176.51 2x86 h VAL 295 N -1.59 0.73 -0.29 2.29 2.07 -1.95 0.11 116.25 117.62 2x86 h VAL 295 Ca -0.51 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.03 2x86 h VAL 295 Cb 1.30 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 2x86 h VAL 295 CO 0.56 0.03 -0.16 0.00 0.02 0.00 0.00 177.57 178.02 2x86 h ALA 296 N 1.34 0.05 0.60 1.67 0.00 -1.93 0.01 119.26 121.01 2x86 h ALA 296 Ca 0.20 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2x86 h ALA 296 Cb 0.27 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2x86 h ALA 296 CO -0.30 -0.56 -0.29 0.93 0.00 0.00 0.00 179.25 179.03 2x86 h GLU 297 N -0.13 -0.78 -0.03 0.00 5.08 -1.83 -2.93 114.58 113.95 2x86 h GLU 297 Ca 0.15 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2x86 h GLU 297 Cb 0.36 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2x86 h GLU 297 CO -0.37 -0.47 -0.10 0.78 -1.00 0.00 0.00 179.01 177.85 2x86 h GLY 298 N -1.05 -0.08 0.96 -3.84 0.00 -0.70 -1.70 103.07 96.65 2x86 h GLY 298 Ca -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2x86 h GLY 298 CO 0.14 -0.10 0.21 -2.08 0.00 0.00 0.00 176.54 174.70 2x86 h VAL 299 N -0.15 1.16 -0.67 4.60 2.07 -1.10 -0.60 116.25 121.56 2x86 h VAL 299 Ca 0.05 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2x86 h VAL 299 Cb 0.22 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2x86 h VAL 299 CO -0.12 0.17 0.19 0.71 0.02 0.00 0.00 177.57 178.54 2x86 h THR 300 N 0.51 1.26 -0.48 2.57 1.35 -1.41 0.20 112.91 116.91 2x86 h THR 300 Ca 0.14 -0.90 0.01 0.00 -0.55 0.00 0.00 66.41 65.10 2x86 h THR 300 Cb 0.08 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 2x86 h THR 300 CO -0.02 0.35 0.31 -0.08 -0.25 0.00 0.00 175.52 175.83 2x86 h GLU 301 N 0.99 0.62 -0.44 4.72 4.81 -0.97 -1.51 114.58 122.81 2x86 h GLU 301 Ca 0.21 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2x86 h GLU 301 Cb 0.33 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2x86 h GLU 301 CO -0.00 0.41 0.26 -0.92 -0.73 0.00 0.00 179.01 178.02 2x86 h TYR 302 N 0.64 0.48 -0.90 0.92 3.20 -0.80 -2.27 116.97 118.23 2x86 h TYR 302 Ca 0.18 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2x86 h TYR 302 Cb -0.06 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 2x86 h TYR 302 CO -0.05 0.27 0.59 0.52 -1.64 0.00 0.00 178.16 177.86 2x86 h MET 303 N 0.51 1.17 -0.28 1.82 2.86 -0.03 0.52 114.93 121.50 2x86 h MET 303 Ca 0.18 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2x86 h MET 303 Cb 0.02 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 2x86 h MET 303 CO -0.09 0.77 0.18 0.00 1.06 0.00 0.00 176.91 178.84 2x86 h ALA 304 N 1.34 0.36 -0.41 6.32 0.00 -1.12 -2.69 119.26 123.07 2x86 h ALA 304 Ca 0.34 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2x86 h ALA 304 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2x86 h ALA 304 CO -0.08 -0.15 0.06 2.35 0.00 0.00 0.00 179.25 181.43 2x86 h TRP 305 N 0.37 0.64 0.00 0.00 7.01 -0.76 -2.20 115.95 121.01 2x86 h TRP 305 Ca 0.10 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2x86 h TRP 305 Cb -0.01 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 2x86 h TRP 305 CO -0.05 0.57 0.00 1.28 -2.79 0.00 0.00 178.44 177.45 2x86 n LEU 306 N -4.29 0.10 0.00 0.65 4.77 0.10 -5.11 117.00 113.22 2x86 n LEU 306 Ca 0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2x86 n LEU 306 Cb 0.22 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2x86 n LEU 306 CO 0.39 -0.29 0.00 0.59 -1.33 0.00 0.00 177.39 176.75