#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duf s GLN 2 N 0.00 3.08 0.28 0.00 -0.21 -1.26 0.26 119.66 121.80 3duf s GLN 2 Ca 0.00 -1.31 0.11 0.00 0.02 0.00 0.00 55.36 54.18 3duf s GLN 2 Cb 0.00 -4.29 -0.05 0.00 1.00 0.00 0.00 33.01 29.68 3duf s GLN 2 CO 0.00 -1.57 -0.12 0.00 -2.12 0.00 0.00 175.29 171.48 3duf s MET 3 N 2.77 1.92 0.85 2.91 0.23 -1.14 -4.80 119.30 122.04 3duf s MET 3 Ca 0.13 -1.64 -0.12 0.00 -1.03 0.00 0.00 55.69 53.03 3duf s MET 3 Cb -0.23 -1.92 0.12 0.00 -1.53 0.00 0.00 34.83 31.28 3duf s MET 3 CO 0.06 0.34 1.21 0.95 -2.03 0.00 0.00 175.02 175.54 3duf s THR 4 N -2.44 2.04 0.36 3.16 -4.23 -1.26 -3.26 115.64 110.00 3duf s THR 4 Ca 0.31 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 3duf s THR 4 Cb -0.05 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 71.02 3duf s THR 4 CO 0.17 0.00 1.96 -0.03 -0.54 0.00 0.00 174.62 176.18 3duf h MET 5 N -1.20 0.62 -0.32 3.99 4.05 -1.74 -2.06 114.93 118.26 3duf h MET 5 Ca -0.45 -0.08 -0.08 0.00 -0.28 0.00 0.00 59.70 58.81 3duf h MET 5 Cb 1.29 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 3duf h MET 5 CO 0.54 0.50 -0.12 -0.24 0.23 0.00 0.00 176.91 177.82 3duf h VAL 6 N 0.62 1.29 -0.76 -5.77 3.04 -1.80 -1.59 116.25 111.27 3duf h VAL 6 Ca 0.15 -1.21 -0.04 0.00 -1.01 0.00 0.00 66.70 64.59 3duf h VAL 6 Cb 0.11 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 30.76 3duf h VAL 6 CO -0.02 0.39 0.30 1.56 -1.01 0.00 0.00 177.57 178.79 3duf h GLN 7 N 0.41 1.13 -0.81 4.17 4.20 -1.81 -0.50 115.11 121.90 3duf h GLN 7 Ca 0.07 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.61 3duf h GLN 7 Cb 0.64 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 3duf h GLN 7 CO 0.04 0.92 0.54 0.00 -0.67 0.00 0.00 178.83 179.66 3duf h ALA 8 N 1.15 1.51 0.18 3.87 0.00 -1.23 0.35 119.26 125.08 3duf h ALA 8 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3duf h ALA 8 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3duf h ALA 8 CO -0.02 0.41 -0.08 0.82 0.00 0.00 0.00 179.25 180.38 3duf h ILE 9 N 1.00 0.87 -0.97 0.00 1.08 -0.18 -1.64 117.51 117.68 3duf h ILE 9 Ca 0.32 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.61 3duf h ILE 9 Cb 0.04 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 3duf h ILE 9 CO -0.10 0.05 0.63 0.74 -0.69 0.00 0.00 178.15 178.79 3duf h THR 10 N -0.34 1.19 -0.12 -0.27 2.02 -0.16 -2.11 112.91 113.11 3duf h THR 10 Ca -0.02 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3duf h THR 10 Cb 0.26 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 3duf h THR 10 CO 0.04 0.23 0.08 -0.78 0.37 0.00 0.00 175.52 175.45 3duf h ASP 11 N 1.25 0.14 -0.78 4.18 1.82 -0.12 -0.18 116.42 122.72 3duf h ASP 11 Ca 0.38 -0.03 0.10 0.00 -0.39 0.00 0.00 57.03 57.09 3duf h ASP 11 Cb -0.04 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 39.88 3duf h ASP 11 CO -0.11 0.13 0.51 0.00 -1.61 0.00 0.00 179.24 178.16 3duf h ALA 12 N 1.02 1.80 -0.19 -0.78 0.00 -0.82 -0.17 119.26 120.12 3duf h ALA 12 Ca 0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3duf h ALA 12 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3duf h ALA 12 CO -0.01 0.03 -0.66 -0.07 0.00 0.00 0.00 179.25 178.54 3duf h LEU 13 N 0.69 0.85 -0.45 0.00 3.38 -0.79 -2.72 115.31 116.26 3duf h LEU 13 Ca 0.36 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3duf h LEU 13 Cb 0.48 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3duf h LEU 13 CO -0.14 1.29 0.08 -0.09 0.09 0.00 0.00 178.44 179.67 3duf h ARG 14 N 0.53 0.74 0.16 1.13 2.43 -0.02 -1.90 114.38 117.46 3duf h ARG 14 Ca -0.02 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3duf h ARG 14 Cb 1.27 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3duf h ARG 14 CO 0.14 0.76 -0.16 0.82 -1.51 0.00 0.00 179.97 180.01 3duf h ILE 15 N 0.60 0.65 -0.65 1.20 1.08 -1.06 -2.76 117.51 116.57 3duf h ILE 15 Ca 0.14 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.57 3duf h ILE 15 Cb 0.37 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 3duf h ILE 15 CO 0.01 0.00 0.28 -0.33 -0.69 0.00 0.00 178.15 177.42 3duf h GLU 16 N -0.35 0.96 -0.93 2.37 4.39 -1.46 -0.95 114.58 118.61 3duf h GLU 16 Ca 0.00 -0.16 0.08 0.00 0.34 0.00 0.00 59.36 59.63 3duf h GLU 16 Cb 0.33 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 3duf h GLU 16 CO -0.04 0.79 0.60 -0.07 -1.16 0.00 0.00 179.01 179.13 3duf h LEU 17 N 0.91 0.90 -0.04 1.33 3.38 -1.26 0.52 115.31 121.05 3duf h LEU 17 Ca 0.22 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 3duf h LEU 17 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3duf h LEU 17 CO -0.02 0.55 -1.04 0.50 0.09 0.00 0.00 178.44 178.52 3duf h LYS 18 N 1.00 0.11 0.08 1.13 3.64 -1.18 -3.39 116.57 117.96 3duf h LYS 18 Ca 0.42 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3duf h LYS 18 Cb 0.30 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3duf h LYS 18 CO -0.18 1.04 -0.04 -0.91 -2.27 0.00 0.00 179.45 177.10 3duf h ASN 19 N 0.04 -0.09 -3.70 4.20 4.21 -0.59 -3.44 115.58 116.21 3duf h ASN 19 Ca -0.05 -0.04 -0.66 0.00 1.21 0.00 0.00 56.30 56.76 3duf h ASN 19 Cb 1.76 0.02 -0.17 0.00 -1.12 0.00 0.00 38.32 38.81 3duf h ASN 19 CO 0.15 0.42 -0.35 -0.62 -1.29 0.00 0.00 177.43 175.74 3duf s ASP 20 N -5.46 6.14 0.00 5.81 -1.08 0.12 -4.95 116.67 117.26 3duf s ASP 20 Ca -0.02 -0.21 0.18 0.00 -0.52 0.00 0.00 52.55 51.98 3duf s ASP 20 Cb 0.00 -2.18 0.81 0.00 -1.46 0.00 0.00 42.92 40.10 3duf s ASP 20 CO 0.08 -0.27 1.59 -0.81 0.52 0.00 0.00 175.17 176.27 3duf n PRO 21 N 5.28 0.04 -0.00 4.34 -0.04 -1.26 -2.62 135.00 140.74 3duf n PRO 21 Ca -0.10 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 3duf n PRO 21 Cb 0.50 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.00 3duf n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3duf n ASN 22 N -1.47 1.44 -4.72 3.54 3.02 -1.26 -4.89 115.26 110.92 3duf n ASN 22 Ca 0.05 -1.48 -0.42 0.00 -0.03 0.00 0.00 54.58 52.70 3duf n ASN 22 Cb 0.20 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 3duf n ASN 22 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3duf s VAL 23 N -2.00 4.44 0.06 2.41 1.01 -1.08 -0.98 120.40 124.27 3duf s VAL 23 Ca 0.38 1.85 0.05 0.00 0.00 0.00 0.00 61.98 64.26 3duf s VAL 23 Cb 0.21 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3duf s VAL 23 CO 0.33 0.20 -0.13 -0.76 0.00 0.00 0.00 175.10 174.74 3duf s LEU 24 N 0.60 2.24 -0.07 3.92 1.43 -1.14 -4.94 118.68 120.72 3duf s LEU 24 Ca 0.52 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3duf s LEU 24 Cb -0.25 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.52 3duf s LEU 24 CO 0.30 -0.07 -0.06 -0.63 0.23 0.00 0.00 176.35 176.12 3duf s ILE 25 N -1.17 0.74 0.24 -0.59 1.01 -0.12 -0.69 121.20 120.62 3duf s ILE 25 Ca -0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 3duf s ILE 25 Cb -0.09 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.61 3duf s ILE 25 CO 0.02 0.30 0.50 0.72 0.00 0.00 0.00 174.94 176.48 3duf s PHE 26 N 1.35 0.20 -5.00 3.97 -0.71 -1.25 -2.28 117.98 114.27 3duf s PHE 26 Ca -0.03 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.28 3duf s PHE 26 Cb -0.14 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 3duf s PHE 26 CO -0.03 -0.99 0.00 0.41 -1.34 0.00 0.00 175.22 173.27 3duf n GLY 27 N -0.37 -0.40 3.67 1.99 0.00 -1.23 -0.78 105.19 108.07 3duf n GLY 27 Ca -0.04 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 3duf n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3duf s GLU 28 N -2.00 4.33 -1.42 1.61 2.02 -1.26 -2.41 118.70 119.58 3duf s GLU 28 Ca 0.00 1.38 -0.11 0.00 0.02 0.00 0.00 54.97 56.26 3duf s GLU 28 Cb 0.00 -3.60 0.03 0.00 0.10 0.00 0.00 34.13 30.67 3duf s GLU 28 CO 0.00 -0.49 1.12 -0.25 0.02 0.00 0.00 175.26 175.66 3duf n ASP 29 N 5.73 -5.92 -0.01 -0.19 8.00 -1.26 -4.87 116.55 118.04 3duf n ASP 29 Ca 0.11 -0.61 0.10 0.00 0.71 0.00 0.00 54.79 55.10 3duf n ASP 29 Cb 0.47 -4.67 -0.16 0.00 -0.02 0.00 0.00 41.12 36.74 3duf n ASP 29 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3duf n VAL 30 N -4.91 0.00 0.00 2.53 0.24 -1.26 -1.13 118.33 113.80 3duf n VAL 30 Ca 0.02 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 3duf n VAL 30 Cb 0.55 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 3duf n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3duf n GLY 31 N 1.34 0.80 0.10 7.63 0.00 -1.26 -3.76 105.19 110.05 3duf n GLY 31 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 3duf n GLY 31 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3duf h VAL 32 N 0.00 0.93 -0.62 1.61 -1.51 -1.89 -2.72 116.25 112.04 3duf h VAL 32 Ca 0.00 -0.05 -0.03 0.00 -1.23 0.00 0.00 66.70 65.39 3duf h VAL 32 Cb 0.00 0.78 -0.03 0.00 -2.13 0.00 0.00 31.29 29.91 3duf h VAL 32 CO 0.00 0.03 0.26 -1.13 -1.23 0.00 0.00 177.57 175.50 3duf h ASN 33 N 0.14 0.82 0.00 4.19 -1.24 -1.85 -3.47 115.58 114.17 3duf h ASN 33 Ca 0.09 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3duf h ASN 33 Cb 0.07 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.91 3duf h ASN 33 CO -0.10 0.72 0.00 0.61 -1.29 0.00 0.00 177.43 177.37 3duf n GLY 34 N -1.05 0.82 0.00 1.57 0.00 -1.03 -4.85 105.19 100.65 3duf n GLY 34 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3duf n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duf n GLY 35 N -2.35 -0.24 0.30 -0.02 0.00 -0.28 -1.83 105.19 100.77 3duf n GLY 35 Ca 0.00 -1.49 0.16 0.00 0.00 0.00 0.00 46.02 44.69 3duf n GLY 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3duf h VAL 36 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -0.61 116.25 113.85 3duf h VAL 36 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3duf h VAL 36 Cb 0.00 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 3duf h VAL 36 CO 0.00 0.00 -0.08 0.49 -1.23 0.00 0.00 177.57 176.75 3duf n PHE 37 N -2.78 0.00 -2.07 5.19 3.72 -1.26 -4.98 117.46 115.28 3duf n PHE 37 Ca -0.02 -0.76 -0.17 0.00 -0.05 0.00 0.00 57.45 56.45 3duf n PHE 37 Cb 0.24 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3duf n PHE 37 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3duf n ARG 38 N -1.07 -1.72 0.21 -1.08 5.12 -0.24 -4.85 116.66 113.03 3duf n ARG 38 Ca 0.11 0.89 0.08 0.00 -1.93 0.00 0.00 57.85 57.00 3duf n ARG 38 Cb 0.60 -5.40 0.39 0.00 -1.16 0.00 0.00 32.46 26.89 3duf n ARG 38 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3duf h ALA 39 N 0.77 0.98 -0.13 7.54 0.00 -1.77 -3.07 119.26 123.59 3duf h ALA 39 Ca -0.38 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3duf h ALA 39 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3duf h ALA 39 CO 0.49 0.35 0.00 0.25 0.00 0.00 0.00 179.25 180.33 3duf n THR 40 N -3.40 1.65 -2.03 0.00 -2.24 -0.76 -4.11 114.28 103.38 3duf n THR 40 Ca 0.00 -1.66 -0.42 0.00 -2.27 0.00 0.00 64.05 59.70 3duf n THR 40 Cb 0.48 0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3duf n THR 40 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3duf s GLU 41 N -2.12 4.25 0.00 -0.78 2.12 -1.02 -3.03 118.70 118.12 3duf s GLU 41 Ca 0.26 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.82 3duf s GLU 41 Cb 0.21 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.30 3duf s GLU 41 CO 0.06 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 3duf n GLY 42 N 3.70 1.15 0.08 -1.50 0.00 -1.26 -4.92 105.19 102.45 3duf n GLY 42 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3duf n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3duf h LEU 43 N 0.00 0.21 -0.57 0.99 3.38 -1.88 -3.21 115.31 114.22 3duf h LEU 43 Ca 0.00 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 3duf h LEU 43 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3duf h LEU 43 CO 0.00 1.19 -0.22 -0.61 0.09 0.00 0.00 178.44 178.89 3duf h GLN 44 N 0.04 0.90 -0.13 1.13 4.15 -1.83 -1.75 115.11 117.61 3duf h GLN 44 Ca -0.11 -0.38 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 3duf h GLN 44 Cb 1.89 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.54 3duf h GLN 44 CO 0.16 1.03 0.05 0.00 -1.93 0.00 0.00 178.83 178.14 3duf h ALA 45 N 0.96 0.17 0.00 3.38 0.00 -1.90 0.58 119.26 122.45 3duf h ALA 45 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3duf h ALA 45 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3duf h ALA 45 CO 0.06 -0.23 0.00 -1.91 0.00 0.00 0.00 179.25 177.17 3duf n GLU 46 N -4.88 0.10 0.00 0.00 2.13 -1.18 -4.16 120.64 112.64 3duf n GLU 46 Ca -0.05 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3duf n GLU 46 Cb 0.13 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.34 3duf n GLU 46 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3duf n PHE 47 N -1.43 0.00 0.00 4.31 3.72 -0.67 -5.09 117.46 118.30 3duf n PHE 47 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3duf n PHE 47 Cb 0.23 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 3duf n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3duf n GLY 48 N 1.07 2.63 0.11 1.37 0.00 0.20 -4.68 105.19 105.90 3duf n GLY 48 Ca 0.00 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.39 3duf n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3duf n GLU 49 N 0.90 0.16 0.07 1.61 2.13 -1.26 -2.18 120.64 122.07 3duf n GLU 49 Ca 0.00 0.41 0.11 0.00 0.66 0.00 0.00 57.16 58.34 3duf n GLU 49 Cb 0.00 -1.82 0.44 0.00 0.27 0.00 0.00 31.44 30.34 3duf n GLU 49 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3duf n ASP 50 N -2.12 0.41 0.00 4.31 5.75 -1.26 -3.72 116.55 119.92 3duf n ASP 50 Ca 0.02 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 3duf n ASP 50 Cb 0.21 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 3duf n ASP 50 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3duf n ARG 51 N -1.93 2.43 -3.62 0.11 1.74 -0.93 -4.91 116.66 109.55 3duf n ARG 51 Ca 0.04 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 3duf n ARG 51 Cb 0.27 -0.75 -0.13 0.00 -1.02 0.00 0.00 32.46 30.83 3duf n ARG 51 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3duf s VAL 52 N -1.30 0.88 0.24 1.55 1.01 -1.03 -0.94 120.40 120.81 3duf s VAL 52 Ca 0.00 -2.13 0.11 0.00 0.00 0.00 0.00 61.98 59.95 3duf s VAL 52 Cb 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3duf s VAL 52 CO 0.00 -0.91 -0.19 0.72 0.00 0.00 0.00 175.10 174.72 3duf s PHE 53 N 0.73 2.11 0.48 5.22 -0.71 -0.97 -4.51 117.98 120.33 3duf s PHE 53 Ca 0.17 -0.41 -0.03 0.00 -1.04 0.00 0.00 56.93 55.62 3duf s PHE 53 Cb -0.23 -0.95 -0.02 0.00 -1.21 0.00 0.00 43.02 40.61 3duf s PHE 53 CO -0.02 0.57 0.75 -0.51 -1.34 0.00 0.00 175.22 174.68 3duf s ASP 54 N -3.30 6.04 0.18 1.98 1.01 -1.26 -3.48 116.67 117.84 3duf s ASP 54 Ca 0.26 0.69 0.00 0.00 0.71 0.00 0.00 52.55 54.21 3duf s ASP 54 Cb -0.04 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 3duf s ASP 54 CO 0.12 -0.66 0.06 0.42 0.21 0.00 0.00 175.17 175.32 3duf s THR 55 N -2.69 0.32 0.69 -1.27 -4.23 -1.01 -4.85 115.64 102.60 3duf s THR 55 Ca 0.48 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.86 3duf s THR 55 Cb -0.10 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.48 3duf s THR 55 CO 0.42 -0.28 1.24 -2.84 -0.54 0.00 0.00 174.62 172.62 3duf s PRO 56 N -4.03 2.33 -1.08 3.99 0.02 -1.26 -4.68 135.00 130.28 3duf s PRO 56 Ca 0.30 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 62.98 3duf s PRO 56 Cb 0.07 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.74 3duf s PRO 56 CO 0.07 -1.72 1.77 -1.17 -0.33 0.00 0.00 177.00 175.61 3duf s LEU 57 N -4.79 3.37 -0.30 -5.54 0.20 -1.26 -4.80 118.68 105.56 3duf s LEU 57 Ca 0.78 -1.49 0.04 0.00 0.69 0.00 0.00 54.13 54.15 3duf s LEU 57 Cb -0.33 -2.57 0.20 0.00 -0.43 0.00 0.00 46.19 43.06 3duf s LEU 57 CO 0.42 -2.17 0.64 0.00 -0.29 0.00 0.00 176.35 174.95 3duf s ALA 58 N 7.75 -2.57 0.29 5.97 0.00 -1.26 -5.06 121.76 126.88 3duf s ALA 58 Ca 0.60 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.65 3duf s ALA 58 Cb -0.01 -2.58 0.70 0.00 0.00 0.00 0.00 23.12 21.22 3duf s ALA 58 CO 0.02 -1.88 1.77 0.93 0.00 0.00 0.00 175.76 176.60 3duf h GLU 59 N 7.87 0.68 -0.04 0.00 3.07 -1.91 -0.71 114.58 123.54 3duf h GLU 59 Ca -0.02 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.67 3duf h GLU 59 Cb 1.19 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 3duf h GLU 59 CO 0.12 0.45 -0.60 1.03 -1.40 0.00 0.00 179.01 178.62 3duf h SER 60 N 0.70 0.16 -0.26 1.42 0.87 -1.94 -2.69 113.55 111.82 3duf h SER 60 Ca 0.55 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.93 3duf h SER 60 Cb 0.86 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3duf h SER 60 CO -0.39 0.72 -0.14 1.23 -0.53 0.00 0.00 176.83 177.71 3duf h GLY 61 N 1.60 0.74 0.95 5.77 0.00 -1.53 -1.85 103.07 108.75 3duf h GLY 61 Ca -0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3duf h GLY 61 CO 0.09 0.52 0.04 -2.22 0.00 0.00 0.00 176.54 174.96 3duf h ILE 62 N 0.62 1.25 -0.62 2.60 2.04 -1.20 -0.44 117.51 121.76 3duf h ILE 62 Ca 0.10 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 3duf h ILE 62 Cb 0.60 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3duf h ILE 62 CO 0.04 0.32 0.22 1.23 0.00 0.00 0.00 178.15 179.96 3duf h GLY 63 N 0.57 1.02 1.96 5.37 0.00 -1.35 -1.75 103.07 108.90 3duf h GLY 63 Ca 0.12 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 3duf h GLY 63 CO 0.01 0.55 -0.25 -1.33 0.00 0.00 0.00 176.54 175.52 3duf h GLY 64 N 0.88 0.05 0.60 4.60 0.00 -1.12 -2.16 103.07 105.93 3duf h GLY 64 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3duf h GLY 64 CO -0.01 0.03 -0.04 0.17 0.00 0.00 0.00 176.54 176.69 3duf h LEU 65 N 0.05 -0.09 -0.35 3.11 8.10 -0.48 -2.53 115.31 123.12 3duf h LEU 65 Ca 0.01 -0.34 0.06 0.00 0.11 0.00 0.00 57.88 57.72 3duf h LEU 65 Cb 0.48 0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 40.66 3duf h LEU 65 CO 0.03 0.31 -0.00 0.00 -4.11 0.00 0.00 178.44 174.67 3duf h ALA 66 N 0.36 0.31 -0.04 0.17 0.00 -1.17 0.24 119.26 119.12 3duf h ALA 66 Ca -0.01 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3duf h ALA 66 Cb 0.43 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3duf h ALA 66 CO 0.02 -0.40 -0.21 0.82 0.00 0.00 0.00 179.25 179.47 3duf h ILE 67 N 0.09 0.49 -0.34 0.00 2.04 -1.44 -0.15 117.51 118.21 3duf h ILE 67 Ca 0.17 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 3duf h ILE 67 Cb 0.23 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3duf h ILE 67 CO -0.28 0.00 0.02 1.23 0.00 0.00 0.00 178.15 179.11 3duf h GLY 68 N -0.31 0.55 1.38 5.37 0.00 -0.96 -2.44 103.07 106.66 3duf h GLY 68 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3duf h GLY 68 CO -0.23 0.30 -0.19 1.41 0.00 0.00 0.00 176.54 177.83 3duf h LEU 69 N 0.50 0.73 -1.60 3.11 3.38 0.04 -2.88 115.31 118.58 3duf h LEU 69 Ca 0.11 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3duf h LEU 69 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3duf h LEU 69 CO 0.01 0.91 -0.20 0.00 0.09 0.00 0.00 178.44 179.25 3duf h ALA 70 N 1.15 1.64 0.00 1.53 0.00 -0.56 -0.73 119.26 122.29 3duf h ALA 70 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3duf h ALA 70 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3duf h ALA 70 CO 0.05 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.83 3duf n LEU 71 N -4.26 0.19 -1.63 0.00 4.77 -1.08 -2.65 117.00 112.33 3duf n LEU 71 Ca -0.02 0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 56.36 3duf n LEU 71 Cb 0.27 -0.49 0.19 0.00 -2.33 0.00 0.00 43.42 41.06 3duf n LEU 71 CO 0.36 -0.19 0.95 0.00 -1.33 0.00 0.00 177.39 177.18 3duf n GLN 72 N -1.69 2.06 -0.10 3.23 1.13 -0.30 -4.94 117.38 116.77 3duf n GLN 72 Ca 0.05 -3.11 0.00 0.00 -1.94 0.00 0.00 57.00 51.99 3duf n GLN 72 Cb 0.27 -1.98 0.00 0.00 0.11 0.00 0.00 30.24 28.65 3duf n GLN 72 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3duf n GLY 73 N -1.11 2.10 3.68 1.08 0.00 -1.09 -5.00 105.19 104.85 3duf n GLY 73 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 3duf n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3duf s PHE 74 N -2.59 1.83 -0.49 1.61 0.08 -1.07 -4.97 117.98 112.39 3duf s PHE 74 Ca 0.00 0.85 0.04 0.00 0.12 0.00 0.00 56.93 57.94 3duf s PHE 74 Cb 0.00 -3.34 0.17 0.00 -0.57 0.00 0.00 43.02 39.28 3duf s PHE 74 CO 0.00 -3.05 0.40 -2.13 -0.10 0.00 0.00 175.22 170.34 3duf n ARG 75 N -4.25 0.67 -2.11 0.44 0.63 -0.15 -4.46 116.66 107.44 3duf n ARG 75 Ca 0.07 -3.54 -0.37 0.00 -0.92 0.00 0.00 57.85 53.09 3duf n ARG 75 Cb 0.58 -1.82 0.01 0.00 0.45 0.00 0.00 32.46 31.68 3duf n ARG 75 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3duf s PRO 76 N -0.43 3.53 -0.41 -0.14 0.02 -1.25 -2.88 135.00 133.43 3duf s PRO 76 Ca 0.31 1.91 0.10 0.00 0.02 0.00 0.00 61.00 63.34 3duf s PRO 76 Cb 0.03 -2.33 0.32 0.00 0.02 0.00 0.00 34.50 32.53 3duf s PRO 76 CO -0.19 -0.78 0.69 0.28 -0.33 0.00 0.00 177.00 176.68 3duf n VAL 77 N -0.72 0.14 -0.89 3.83 0.31 0.13 -1.91 118.33 119.22 3duf n VAL 77 Ca 0.09 -4.56 -0.29 0.00 -0.01 0.00 0.00 64.34 59.57 3duf n VAL 77 Cb 0.47 -0.95 0.19 0.00 -0.91 0.00 0.00 33.84 32.64 3duf n VAL 77 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3duf s PRO 78 N -2.18 0.28 0.17 5.55 0.04 -1.18 -3.75 135.00 133.91 3duf s PRO 78 Ca 0.39 0.87 0.08 0.00 0.04 0.00 0.00 61.00 62.38 3duf s PRO 78 Cb 0.28 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 33.09 3duf s PRO 78 CO -0.09 -2.93 -0.16 -2.00 0.04 0.00 0.00 177.00 171.86 3duf s GLU 79 N -4.73 1.23 -0.22 4.56 2.12 0.04 -2.18 118.70 119.53 3duf s GLU 79 Ca 0.66 -1.43 -0.01 0.00 0.36 0.00 0.00 54.97 54.55 3duf s GLU 79 Cb -0.21 -1.16 0.06 0.00 0.26 0.00 0.00 34.13 33.08 3duf s GLU 79 CO 0.60 0.22 -0.00 0.42 -0.54 0.00 0.00 175.26 175.96 3duf s ILE 80 N -2.38 0.99 0.22 -3.70 -1.09 -0.39 -4.64 121.20 110.20 3duf s ILE 80 Ca 0.16 -0.89 -0.03 0.00 -2.23 0.00 0.00 60.65 57.66 3duf s ILE 80 Cb -0.04 -1.40 0.34 0.00 -1.58 0.00 0.00 42.46 39.78 3duf s ILE 80 CO 0.06 -0.18 1.19 1.67 -1.23 0.00 0.00 174.94 176.44 3duf n GLN 81 N 4.87 -0.07 -3.72 2.79 7.27 -1.26 -4.18 117.38 123.08 3duf n GLN 81 Ca -0.10 1.17 -0.14 0.00 0.07 0.00 0.00 57.00 58.00 3duf n GLN 81 Cb 0.46 -1.79 -0.14 0.00 2.41 0.00 0.00 30.24 31.17 3duf n GLN 81 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3duf s PHE 82 N -5.84 -0.23 -0.21 3.69 0.08 -1.26 -4.31 117.98 109.90 3duf s PHE 82 Ca -0.11 0.63 0.20 0.00 0.12 0.00 0.00 56.93 57.77 3duf s PHE 82 Cb 0.21 -0.09 1.07 0.00 -0.57 0.00 0.00 43.02 43.64 3duf s PHE 82 CO 0.59 -0.22 1.59 0.34 -0.10 0.00 0.00 175.22 177.42 3duf n PHE 83 N 4.57 0.67 0.29 0.36 7.35 -0.82 -0.61 117.46 129.27 3duf n PHE 83 Ca -0.19 0.35 0.11 0.00 -0.76 0.00 0.00 57.45 56.95 3duf n PHE 83 Cb 0.51 -1.03 0.49 0.00 0.35 0.00 0.00 39.48 39.80 3duf n PHE 83 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3duf n GLY 84 N -1.30 -1.06 1.04 7.13 0.00 -1.26 -1.20 105.19 108.54 3duf n GLY 84 Ca -0.01 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.21 3duf n GLY 84 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3duf n PHE 85 N -2.16 0.75 0.27 1.61 3.72 0.22 -4.34 117.46 117.54 3duf n PHE 85 Ca 0.01 -0.38 0.14 0.00 -0.05 0.00 0.00 57.45 57.18 3duf n PHE 85 Cb 0.14 0.00 0.79 0.00 -0.94 0.00 0.00 39.48 39.47 3duf n PHE 85 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 3duf h VAL 86 N 3.29 0.45 -0.91 -4.37 3.04 -1.33 -2.45 116.25 113.96 3duf h VAL 86 Ca 0.00 -0.44 0.22 0.00 -1.01 0.00 0.00 66.70 65.47 3duf h VAL 86 Cb 0.75 1.30 -0.06 0.00 -2.01 0.00 0.00 31.29 31.27 3duf h VAL 86 CO 0.00 0.09 0.61 1.88 -1.01 0.00 0.00 177.57 179.14 3duf h TYR 87 N 0.00 0.44 0.00 3.17 0.05 -1.82 0.86 116.97 119.67 3duf h TYR 87 Ca -0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 3duf h TYR 87 Cb 0.30 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3duf h TYR 87 CO 0.00 0.10 -0.20 0.93 -1.05 0.00 0.00 178.16 177.94 3duf h GLU 88 N 0.32 0.00 -0.05 4.88 3.07 -1.79 -3.28 114.58 117.73 3duf h GLU 88 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3duf h GLU 88 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3duf h GLU 88 CO -0.15 0.20 0.00 1.55 -1.40 0.00 0.00 179.01 179.21 3duf n VAL 89 N -3.37 1.70 -0.36 3.13 3.14 0.23 -4.16 118.33 118.64 3duf n VAL 89 Ca 0.00 -1.88 0.07 0.00 -2.96 0.00 0.00 64.34 59.57 3duf n VAL 89 Cb 0.42 -0.04 0.23 0.00 -1.06 0.00 0.00 33.84 33.39 3duf n VAL 89 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3duf h MET 90 N 0.32 0.95 -0.41 1.45 2.86 -1.45 -2.52 114.93 116.12 3duf h MET 90 Ca 0.00 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 3duf h MET 90 Cb 0.93 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3duf h MET 90 CO 0.03 0.63 -0.09 0.22 1.06 0.00 0.00 176.91 178.75 3duf h ASP 91 N 0.98 0.80 0.16 1.22 3.58 -1.87 0.54 116.42 121.82 3duf h ASP 91 Ca 0.49 -0.36 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 3duf h ASP 91 Cb 0.49 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 3duf h ASP 91 CO -0.27 0.97 -0.23 0.28 -2.88 0.00 0.00 179.24 177.11 3duf h SER 92 N 0.61 0.13 0.00 2.28 0.02 -1.85 -0.75 113.55 113.99 3duf h SER 92 Ca 0.11 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 3duf h SER 92 Cb 0.62 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3duf h SER 92 CO 0.04 0.37 -0.98 0.40 -1.14 0.00 0.00 176.83 175.51 3duf h ILE 93 N 0.12 1.09 0.01 3.27 2.04 -1.32 -1.98 117.51 120.73 3duf h ILE 93 Ca 0.02 -2.20 -0.32 0.00 1.00 0.00 0.00 64.86 63.36 3duf h ILE 93 Cb 0.48 2.44 -0.06 0.00 -0.74 0.00 0.00 36.82 38.94 3duf h ILE 93 CO 0.03 0.37 -1.96 0.00 0.00 0.00 0.00 178.15 176.59 3duf n GLY 95 N 1.66 -1.11 0.00 0.00 0.00 -0.38 -4.70 105.19 100.66 3duf n GLY 95 Ca -0.23 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3duf n GLY 95 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3duf n GLN 96 N -1.40 0.00 -0.31 1.61 1.13 -0.66 -4.84 117.38 112.92 3duf n GLN 96 Ca 0.06 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.25 3duf n GLN 96 Cb 0.34 0.00 0.37 0.00 0.11 0.00 0.00 30.24 31.05 3duf n GLN 96 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3duf h MET 97 N 0.00 0.68 0.00 -1.09 -0.00 -1.47 0.15 114.93 113.20 3duf h MET 97 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 3duf h MET 97 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.45 3duf h MET 97 CO 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 176.91 177.36 3duf n ALA 98 N -2.40 1.65 0.11 -3.00 0.00 -1.00 -3.17 120.51 112.69 3duf n ALA 98 Ca 0.20 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.64 3duf n ALA 98 Cb 0.54 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 3duf n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3duf n ARG 99 N -1.60 2.29 -0.28 0.00 1.74 0.43 -4.43 116.66 114.80 3duf n ARG 99 Ca 0.03 -0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3duf n ARG 99 Cb 0.17 -0.97 0.13 0.00 -1.02 0.00 0.00 32.46 30.76 3duf n ARG 99 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3duf h ILE 100 N 0.00 0.21 -0.04 0.55 1.08 -1.24 0.60 117.51 118.67 3duf h ILE 100 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3duf h ILE 100 Cb 0.20 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.13 3duf h ILE 100 CO 0.00 0.00 0.01 -0.09 -0.69 0.00 0.00 178.15 177.39 3duf h ARG 101 N 0.02 0.04 -0.38 2.37 2.43 -1.81 -1.88 114.38 115.16 3duf h ARG 101 Ca 0.41 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.54 3duf h ARG 101 Cb 0.67 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 3duf h ARG 101 CO -0.81 0.02 0.08 -0.92 -1.51 0.00 0.00 179.97 176.84 3duf h TYR 102 N 0.04 0.64 0.00 2.20 5.03 -1.55 0.98 116.97 124.31 3duf h TYR 102 Ca 0.02 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 3duf h TYR 102 Cb 0.01 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.11 3duf h TYR 102 CO -0.09 0.63 -0.03 -0.09 -1.32 0.00 0.00 178.16 177.27 3duf h ARG 103 N 0.46 0.00 -0.12 1.82 2.43 0.38 -2.80 114.38 116.55 3duf h ARG 103 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3duf h ARG 103 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3duf h ARG 103 CO 0.00 0.03 0.00 0.25 -1.51 0.00 0.00 179.97 178.74 3duf n THR 104 N -3.81 2.02 -3.53 0.20 -2.24 -0.73 -4.99 114.28 101.21 3duf n THR 104 Ca -0.03 -2.03 -0.25 0.00 -2.27 0.00 0.00 64.05 59.47 3duf n THR 104 Cb 0.11 -0.21 0.04 0.00 -2.10 0.00 0.00 70.33 68.18 3duf n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3duf n GLY 105 N -0.95 -0.52 2.20 3.38 0.00 -0.89 -2.11 105.19 106.30 3duf n GLY 105 Ca 0.18 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 3duf n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duf n GLY 106 N -1.71 0.58 0.11 -0.02 0.00 0.29 -4.91 105.19 99.53 3duf n GLY 106 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 3duf n GLY 106 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3duf h ARG 107 N 0.37 0.16 -5.21 1.61 9.65 -1.66 -3.46 114.38 115.84 3duf h ARG 107 Ca -0.05 -0.21 -0.43 0.00 -1.10 0.00 0.00 59.98 58.18 3duf h ARG 107 Cb 0.30 0.07 -0.14 0.00 -1.39 0.00 0.00 29.97 28.81 3duf h ARG 107 CO 0.08 1.01 -0.64 0.71 2.80 0.00 0.00 179.97 183.93 3duf s TYR 108 N -2.98 1.78 0.21 2.20 2.02 -1.26 -5.14 117.35 114.17 3duf s TYR 108 Ca -0.02 -0.90 -0.18 0.00 -0.37 0.00 0.00 57.07 55.60 3duf s TYR 108 Cb 0.09 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.61 3duf s TYR 108 CO 0.84 0.03 0.55 -3.38 -1.57 0.00 0.00 175.55 172.02 3duf s HIS 109 N -3.31 -0.10 -0.57 2.71 -3.43 -1.26 -3.97 115.29 105.36 3duf s HIS 109 Ca 0.32 -0.26 0.04 0.00 -0.80 0.00 0.00 55.06 54.36 3duf s HIS 109 Cb 0.06 0.43 0.14 0.00 -1.43 0.00 0.00 32.58 31.79 3duf s HIS 109 CO 0.12 -0.98 0.33 -1.64 -2.00 0.00 0.00 174.74 170.57 3duf s MET 110 N -3.89 2.11 -1.46 -0.38 -1.94 -1.25 -4.73 119.30 107.76 3duf s MET 110 Ca 0.11 -2.83 -0.11 0.00 -1.71 0.00 0.00 55.69 51.15 3duf s MET 110 Cb -0.02 -3.33 -0.06 0.00 2.01 0.00 0.00 34.83 33.43 3duf s MET 110 CO -0.00 -1.16 2.67 -0.35 -0.01 0.00 0.00 175.02 176.16 3duf n PRO 111 N 2.77 3.23 -4.31 2.03 -0.04 -1.22 -1.46 135.00 136.01 3duf n PRO 111 Ca 0.09 -2.16 -0.32 0.00 -0.04 0.00 0.00 63.50 61.08 3duf n PRO 111 Cb 0.33 -2.85 -0.09 0.00 -0.04 0.00 0.00 33.50 30.85 3duf n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3duf s ILE 112 N 2.65 3.93 -0.10 0.52 1.01 -1.26 -3.78 121.20 124.16 3duf s ILE 112 Ca 0.61 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 3duf s ILE 112 Cb 0.16 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.89 3duf s ILE 112 CO -0.06 0.32 -0.07 -0.89 0.00 0.00 0.00 174.94 174.25 3duf s THR 113 N -1.11 0.94 -0.24 2.92 2.01 -0.80 -1.87 115.64 117.48 3duf s THR 113 Ca 0.20 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 3duf s THR 113 Cb -0.11 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3duf s THR 113 CO 0.11 0.35 0.12 -0.63 -0.69 0.00 0.00 174.62 173.88 3duf s ILE 114 N 1.64 4.92 -0.07 1.82 1.09 0.23 -3.13 121.20 127.69 3duf s ILE 114 Ca 0.03 0.03 -0.03 0.00 -1.10 0.00 0.00 60.65 59.58 3duf s ILE 114 Cb -0.13 -3.30 -0.04 0.00 -1.06 0.00 0.00 42.46 37.94 3duf s ILE 114 CO -0.07 0.34 0.06 -0.13 -0.10 0.00 0.00 174.94 175.05 3duf s ARG 115 N 1.25 3.14 -0.29 2.79 0.52 -0.92 0.31 118.95 125.75 3duf s ARG 115 Ca 0.06 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 54.77 3duf s ARG 115 Cb -0.14 -2.93 0.13 0.00 0.52 0.00 0.00 34.95 32.53 3duf s ARG 115 CO 0.05 0.71 0.88 0.45 0.02 0.00 0.00 175.30 177.41 3duf s SER 116 N -1.16 -0.70 0.59 0.23 0.15 -0.74 -1.26 113.70 110.81 3duf s SER 116 Ca 0.16 1.06 -0.14 0.00 0.70 0.00 0.00 55.95 57.73 3duf s SER 116 Cb -0.12 1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 65.64 3duf s SER 116 CO 0.06 -0.16 1.03 -2.16 1.20 0.00 0.00 173.24 173.21 3duf s PRO 117 N 1.86 3.54 0.17 5.44 0.04 -1.26 -1.85 135.00 142.95 3duf s PRO 117 Ca -0.07 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 61.78 3duf s PRO 117 Cb -0.06 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.46 3duf s PRO 117 CO -0.17 -0.61 0.67 1.97 0.04 0.00 0.00 177.00 178.89 3duf n PHE 118 N -2.28 -1.38 0.00 0.56 -1.74 -0.27 -1.94 117.46 110.41 3duf n PHE 118 Ca 0.07 -1.01 0.00 0.00 -0.56 0.00 0.00 57.45 55.95 3duf n PHE 118 Cb 0.54 0.50 0.00 0.00 1.52 0.00 0.00 39.48 42.03 3duf n PHE 118 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3duf n GLY 119 N -0.46 0.70 0.00 4.97 0.00 -0.64 -0.29 105.19 109.47 3duf n GLY 119 Ca -0.03 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3duf n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duf n GLY 120 N 0.83 4.23 0.00 -0.02 0.00 -1.26 -4.37 105.19 104.59 3duf n GLY 120 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3duf n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duf n GLY 121 N 5.00 1.01 0.49 -0.02 0.00 -1.26 -4.56 105.19 105.85 3duf n GLY 121 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3duf n GLY 121 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3duf n VAL 122 N -1.89 0.90 -3.99 1.61 0.24 -1.26 -5.00 118.33 108.95 3duf n VAL 122 Ca 0.00 -1.28 -0.27 0.00 -2.04 0.00 0.00 64.34 60.75 3duf n VAL 122 Cb 0.00 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 3duf n VAL 122 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3duf n HIS 123 N -0.56 -1.67 -2.23 6.34 8.25 -1.26 -4.99 115.22 119.10 3duf n HIS 123 Ca 0.08 0.75 -0.26 0.00 -0.26 0.00 0.00 57.72 58.04 3duf n HIS 123 Cb 0.74 -3.65 0.06 0.00 1.12 0.00 0.00 29.99 28.26 3duf n HIS 123 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3duf s THR 124 N -3.88 2.48 0.94 1.59 -4.23 -1.26 -4.98 115.64 106.30 3duf s THR 124 Ca 0.10 -0.23 -0.13 0.00 -1.18 0.00 0.00 61.69 60.24 3duf s THR 124 Cb -0.05 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.88 3duf s THR 124 CO 0.89 -0.07 1.16 -2.16 -0.54 0.00 0.00 174.62 173.91 3duf s PRO 125 N -5.21 0.90 0.72 3.99 0.04 -1.26 -4.67 135.00 129.52 3duf s PRO 125 Ca 0.59 0.14 -0.17 0.00 0.04 0.00 0.00 61.00 61.60 3duf s PRO 125 Cb -0.11 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 3duf s PRO 125 CO 0.45 -2.33 -0.10 -1.91 0.04 0.00 0.00 177.00 173.15 3duf n GLU 126 N -3.83 0.09 -1.20 4.56 2.13 -1.26 -2.87 120.64 118.25 3duf n GLU 126 Ca 0.09 0.04 -0.09 0.00 0.66 0.00 0.00 57.16 57.86 3duf n GLU 126 Cb 0.59 -1.28 -0.04 0.00 0.27 0.00 0.00 31.44 30.99 3duf n GLU 126 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3duf n LEU 127 N 1.81 -0.61 -0.10 4.31 4.77 -1.26 -4.78 117.00 121.14 3duf n LEU 127 Ca 0.06 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 56.05 3duf n LEU 127 Cb 0.51 -1.66 -0.12 0.00 -2.33 0.00 0.00 43.42 39.81 3duf n LEU 127 CO 0.52 -0.54 -1.19 1.41 -1.33 0.00 0.00 177.39 176.26 3duf n HIS 128 N -1.61 0.35 0.05 -1.77 8.25 -1.14 -4.03 115.22 115.33 3duf n HIS 128 Ca -0.09 0.09 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3duf n HIS 128 Cb 0.33 -1.04 -0.07 0.00 1.12 0.00 0.00 29.99 30.33 3duf n HIS 128 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3duf h SER 129 N -0.22 0.00 -0.61 0.41 0.02 -1.79 -3.39 113.55 107.97 3duf h SER 129 Ca -0.55 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 59.89 3duf h SER 129 Cb 1.84 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.41 3duf h SER 129 CO -0.12 0.62 0.18 0.47 -1.14 0.00 0.00 176.83 176.85 3duf n ASP 130 N -3.00 0.28 -4.57 3.07 9.92 -1.26 -1.62 116.55 119.37 3duf n ASP 130 Ca -0.07 0.72 -0.42 0.00 -0.53 0.00 0.00 54.79 54.49 3duf n ASP 130 Cb 0.84 -0.55 -0.07 0.00 -0.64 0.00 0.00 41.12 40.70 3duf n ASP 130 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3duf s SER 131 N 0.69 6.40 -0.12 -2.24 0.01 -1.26 -4.52 113.70 112.66 3duf s SER 131 Ca 0.59 0.11 0.15 0.00 1.31 0.00 0.00 55.95 58.10 3duf s SER 131 Cb -0.83 -2.31 0.29 0.00 0.21 0.00 0.00 66.02 63.38 3duf s SER 131 CO 0.41 -0.57 1.15 0.18 0.41 0.00 0.00 173.24 174.82 3duf n LEU 132 N 5.97 2.03 0.08 2.44 4.77 -1.26 -4.76 117.00 126.27 3duf n LEU 132 Ca -0.02 -2.92 0.17 0.00 -0.03 0.00 0.00 56.01 53.20 3duf n LEU 132 Cb 0.49 -0.37 0.69 0.00 -2.33 0.00 0.00 43.42 41.89 3duf n LEU 132 CO 0.48 0.80 1.15 1.05 -1.33 0.00 0.00 177.39 179.54 3duf h GLU 133 N 0.29 0.00 -0.72 3.23 9.09 -1.96 -1.87 114.58 122.64 3duf h GLU 133 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3duf h GLU 133 Cb 1.11 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.17 3duf h GLU 133 CO 0.01 0.00 0.47 0.78 0.05 0.00 0.00 179.01 180.31 3duf h GLY 134 N 0.00 1.02 0.87 1.06 0.00 -1.86 -1.42 103.07 102.74 3duf h GLY 134 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3duf h GLY 134 CO -0.00 0.38 -0.10 1.41 0.00 0.00 0.00 176.54 178.23 3duf h LEU 135 N 0.98 -0.23 -1.36 3.11 3.38 -1.68 -2.87 115.31 116.64 3duf h LEU 135 Ca 0.26 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3duf h LEU 135 Cb -0.10 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3duf h LEU 135 CO -0.06 -0.05 -0.03 -0.37 0.09 0.00 0.00 178.44 178.03 3duf h VAL 136 N -0.40 0.08 -0.03 1.22 -1.51 -1.62 -3.09 116.25 110.89 3duf h VAL 136 Ca -0.03 -0.61 -0.05 0.00 -1.23 0.00 0.00 66.70 64.78 3duf h VAL 136 Cb 0.31 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 3duf h VAL 136 CO 0.05 0.03 -0.22 0.00 -1.23 0.00 0.00 177.57 176.19 3duf h ALA 137 N 1.97 1.57 -0.09 5.19 0.00 -1.03 -2.95 119.26 123.93 3duf h ALA 137 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3duf h ALA 137 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3duf h ALA 137 CO 0.00 0.32 0.00 1.04 0.00 0.00 0.00 179.25 180.61 3duf n GLN 138 N -4.25 1.31 -3.57 0.00 6.02 -1.17 -4.80 117.38 110.91 3duf n GLN 138 Ca -0.02 -0.47 -0.40 0.00 -0.01 0.00 0.00 57.00 56.10 3duf n GLN 138 Cb 0.29 -1.28 -0.11 0.00 1.02 0.00 0.00 30.24 30.16 3duf n GLN 138 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3duf s GLN 139 N -1.89 3.24 0.31 -1.09 2.00 -1.12 -5.06 119.66 116.06 3duf s GLN 139 Ca 0.25 -0.81 -0.30 0.00 -2.00 0.00 0.00 55.36 52.51 3duf s GLN 139 Cb 0.12 -3.74 -0.11 0.00 0.80 0.00 0.00 33.01 30.08 3duf s GLN 139 CO 0.20 -0.53 1.57 -2.14 -0.50 0.00 0.00 175.29 173.89 3duf s PRO 140 N 1.65 4.12 0.00 1.67 0.02 -1.26 -3.03 135.00 138.17 3duf s PRO 140 Ca 0.05 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3duf s PRO 140 Cb -0.18 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3duf s PRO 140 CO 0.08 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3duf n GLY 141 N 1.82 0.43 3.56 0.52 0.00 -1.26 -4.75 105.19 105.51 3duf n GLY 141 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3duf n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3duf s LEU 142 N 0.00 2.93 -0.07 0.99 1.43 -1.17 -4.53 118.68 118.27 3duf s LEU 142 Ca 0.00 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3duf s LEU 142 Cb 0.00 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.68 3duf s LEU 142 CO 0.00 0.06 -0.17 -0.54 0.23 0.00 0.00 176.35 175.93 3duf s LYS 143 N -3.20 2.10 -0.16 1.70 1.02 -1.13 -4.71 119.74 115.36 3duf s LYS 143 Ca 0.27 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.66 3duf s LYS 143 Cb -0.07 -1.71 0.01 0.00 -0.52 0.00 0.00 37.83 35.53 3duf s LYS 143 CO 0.16 0.15 -0.18 0.08 -0.92 0.00 0.00 175.35 174.64 3duf s VAL 144 N 0.34 2.36 -0.05 3.17 1.01 -0.60 -0.02 120.40 126.61 3duf s VAL 144 Ca -0.12 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.05 3duf s VAL 144 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3duf s VAL 144 CO 0.05 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.78 3duf s VAL 145 N 0.96 2.57 -0.35 2.92 1.01 -0.09 -2.02 120.40 125.40 3duf s VAL 145 Ca -0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 3duf s VAL 145 Cb -0.15 -1.97 0.13 0.00 0.00 0.00 0.00 36.38 34.40 3duf s VAL 145 CO -0.04 0.58 0.20 -0.63 0.00 0.00 0.00 175.10 175.21 3duf s ILE 146 N -0.51 0.15 0.52 2.22 1.01 -1.13 -1.45 121.20 122.01 3duf s ILE 146 Ca 0.07 -1.61 -0.18 0.00 0.00 0.00 0.00 60.65 58.92 3duf s ILE 146 Cb -0.11 -1.12 -0.07 0.00 0.01 0.00 0.00 42.46 41.16 3duf s ILE 146 CO 0.01 -0.95 1.03 -2.16 0.00 0.00 0.00 174.94 172.86 3duf s PRO 147 N 1.18 3.71 0.00 2.79 0.04 -1.26 -4.31 135.00 137.16 3duf s PRO 147 Ca 0.17 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.44 3duf s PRO 147 Cb -0.22 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3duf s PRO 147 CO -0.04 -0.49 0.11 -1.13 0.04 0.00 0.00 177.00 175.49 3duf n SER 148 N -1.39 0.15 -4.30 6.66 3.41 -1.26 -4.67 113.62 112.21 3duf n SER 148 Ca 0.08 -0.57 -0.16 0.00 -0.26 0.00 0.00 58.87 57.96 3duf n SER 148 Cb 0.53 0.95 -0.10 0.00 -0.26 0.00 0.00 64.21 65.33 3duf n SER 148 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3duf s THR 149 N -1.13 0.99 0.30 6.66 -4.23 -1.26 -4.99 115.64 111.99 3duf s THR 149 Ca 0.01 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3duf s THR 149 Cb 0.01 -2.22 0.11 0.00 1.34 0.00 0.00 72.50 71.74 3duf s THR 149 CO 0.08 -0.42 1.78 -0.65 -0.54 0.00 0.00 174.62 174.87 3duf h PRO 150 N 2.56 0.52 -0.00 3.99 0.11 -1.89 -1.81 132.00 135.49 3duf h PRO 150 Ca -0.38 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3duf h PRO 150 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3duf h PRO 150 CO 0.64 0.65 0.00 -0.92 -0.21 0.00 0.00 178.00 178.16 3duf h TYR 151 N 0.48 0.00 -0.33 0.65 3.20 -1.90 -3.06 116.97 116.01 3duf h TYR 151 Ca 0.09 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 3duf h TYR 151 Cb 0.52 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3duf h TYR 151 CO 0.02 0.23 0.09 -0.44 -1.64 0.00 0.00 178.16 176.42 3duf h ASP 152 N -0.23 0.49 -0.71 -2.11 3.32 -1.97 -3.00 116.42 112.22 3duf h ASP 152 Ca 0.00 -0.22 0.15 0.00 0.02 0.00 0.00 57.03 56.98 3duf h ASP 152 Cb 0.23 -0.13 -0.13 0.00 0.22 0.00 0.00 39.33 39.52 3duf h ASP 152 CO 0.00 0.58 -0.10 0.00 -1.72 0.00 0.00 179.24 178.00 3duf h ALA 153 N 0.93 0.58 0.05 3.45 0.00 -1.32 0.26 119.26 123.22 3duf h ALA 153 Ca 0.11 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3duf h ALA 153 Cb 0.27 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3duf h ALA 153 CO -0.00 -0.42 -0.03 -0.22 0.00 0.00 0.00 179.25 178.58 3duf h LYS 154 N 0.04 -0.07 -0.18 0.00 3.64 -1.56 -1.41 116.57 117.03 3duf h LYS 154 Ca 0.36 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.78 3duf h LYS 154 Cb 0.59 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 3duf h LYS 154 CO -0.69 0.44 -0.04 0.78 -2.27 0.00 0.00 179.45 177.68 3duf h GLY 155 N -0.62 0.14 1.23 5.01 0.00 -1.31 -1.60 103.07 105.92 3duf h GLY 155 Ca -0.01 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3duf h GLY 155 CO 0.01 -0.06 0.07 1.41 0.00 0.00 0.00 176.54 177.97 3duf h LEU 156 N 0.01 0.90 -1.42 3.11 3.38 -0.59 -2.51 115.31 118.19 3duf h LEU 156 Ca 0.09 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3duf h LEU 156 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3duf h LEU 156 CO -0.18 0.92 -0.25 0.25 0.09 0.00 0.00 178.44 179.27 3duf h LEU 157 N 0.89 0.05 -0.17 1.67 5.85 -0.87 0.07 115.31 122.80 3duf h LEU 157 Ca 0.18 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.66 3duf h LEU 157 Cb 0.42 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3duf h LEU 157 CO 0.01 0.31 -0.96 0.40 -0.34 0.00 0.00 178.44 177.86 3duf h ILE 158 N 0.05 1.46 -0.06 4.05 2.04 -1.09 -2.95 117.51 121.02 3duf h ILE 158 Ca 0.01 -2.64 -0.01 0.00 1.00 0.00 0.00 64.86 63.22 3duf h ILE 158 Cb 0.48 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3duf h ILE 158 CO 0.03 0.78 -0.01 0.28 0.00 0.00 0.00 178.15 179.23 3duf h SER 159 N 0.15 0.11 -0.53 1.72 0.02 -1.00 -2.46 113.55 111.56 3duf h SER 159 Ca -0.07 -0.35 0.11 0.00 -0.84 0.00 0.00 61.79 60.64 3duf h SER 159 Cb 1.61 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 64.03 3duf h SER 159 CO 0.16 0.43 -0.03 0.00 -1.14 0.00 0.00 176.83 176.25 3duf h ALA 160 N 0.68 0.47 0.00 3.77 0.00 -1.04 0.28 119.26 123.43 3duf h ALA 160 Ca 0.02 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3duf h ALA 160 Cb 0.38 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3duf h ALA 160 CO 0.00 -0.40 -0.39 0.82 0.00 0.00 0.00 179.25 179.29 3duf h ILE 161 N 0.09 1.23 0.00 0.00 2.04 -1.49 -2.76 117.51 116.62 3duf h ILE 161 Ca 0.27 -1.35 -0.18 0.00 1.00 0.00 0.00 64.86 64.60 3duf h ILE 161 Cb 0.41 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3duf h ILE 161 CO -0.47 0.38 -0.86 0.03 0.00 0.00 0.00 178.15 177.23 3duf h ARG 162 N 0.00 0.00 -6.70 2.37 3.08 -0.70 -3.45 114.38 108.98 3duf h ARG 162 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3duf h ARG 162 Cb 0.70 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.82 3duf h ARG 162 CO 0.05 0.84 0.97 -3.47 -1.07 0.00 0.00 179.97 177.28 3duf n ASP 163 N -3.30 3.94 -0.38 7.04 -0.08 0.87 -4.87 116.55 119.76 3duf n ASP 163 Ca 0.00 1.09 0.02 0.00 -1.51 0.00 0.00 54.79 54.39 3duf n ASP 163 Cb 0.88 -1.58 0.07 0.00 2.34 0.00 0.00 41.12 42.83 3duf n ASP 163 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3duf n ASN 164 N 3.36 1.04 -4.36 1.67 3.02 -1.26 -4.67 115.26 114.06 3duf n ASN 164 Ca 0.14 -2.04 -0.21 0.00 -0.03 0.00 0.00 54.58 52.43 3duf n ASN 164 Cb 0.35 -0.20 -0.11 0.00 -0.61 0.00 0.00 39.78 39.22 3duf n ASN 164 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3duf s ASP 165 N -0.81 2.82 0.44 6.41 1.01 -1.25 -3.46 116.67 121.83 3duf s ASP 165 Ca 0.10 -0.95 -0.26 0.00 0.71 0.00 0.00 52.55 52.15 3duf s ASP 165 Cb 0.06 -0.18 -0.09 0.00 1.01 0.00 0.00 42.92 43.72 3duf s ASP 165 CO 0.06 -0.07 1.44 -2.16 0.21 0.00 0.00 175.17 174.66 3duf s PRO 166 N -3.23 3.74 -0.01 8.23 0.04 -0.53 -4.38 135.00 138.86 3duf s PRO 166 Ca 0.21 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3duf s PRO 166 Cb -0.04 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.81 3duf s PRO 166 CO 0.08 -0.79 -0.01 0.08 0.04 0.00 0.00 177.00 176.41 3duf s VAL 167 N -1.19 0.14 -0.27 -0.36 1.01 -0.78 -2.85 120.40 116.10 3duf s VAL 167 Ca 0.60 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 3duf s VAL 167 Cb -0.44 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 3duf s VAL 167 CO 0.58 0.08 0.14 -0.63 0.00 0.00 0.00 175.10 175.26 3duf s ILE 168 N 0.36 4.86 -0.42 2.22 1.09 0.97 -0.60 121.20 129.68 3duf s ILE 168 Ca -0.03 0.02 -0.10 0.00 -1.10 0.00 0.00 60.65 59.43 3duf s ILE 168 Cb -0.06 -3.30 0.07 0.00 -1.06 0.00 0.00 42.46 38.12 3duf s ILE 168 CO -0.01 0.29 0.27 0.12 -0.10 0.00 0.00 174.94 175.52 3duf s PHE 169 N 1.68 3.31 -0.21 3.97 5.36 0.15 -0.91 117.98 131.33 3duf s PHE 169 Ca 0.07 -1.38 -0.14 0.00 -0.96 0.00 0.00 56.93 54.52 3duf s PHE 169 Cb -0.16 -2.92 -0.04 0.00 -0.34 0.00 0.00 43.02 39.56 3duf s PHE 169 CO 0.08 -0.82 0.33 -0.51 -1.46 0.00 0.00 175.22 172.84 3duf s LEU 170 N 1.47 4.14 -0.24 6.12 1.43 -0.53 -1.79 118.68 129.29 3duf s LEU 170 Ca 0.03 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.50 3duf s LEU 170 Cb -0.23 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.61 3duf s LEU 170 CO 0.03 -0.04 -0.06 -1.61 0.23 0.00 0.00 176.35 174.91 3duf s GLU 171 N 1.24 3.05 -0.10 1.70 2.02 -0.77 -4.09 118.70 121.74 3duf s GLU 171 Ca 0.16 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 54.01 3duf s GLU 171 Cb -0.14 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 3duf s GLU 171 CO 0.07 -0.32 1.20 -1.58 0.02 0.00 0.00 175.26 174.65 3duf s HIS 172 N 1.38 3.13 0.22 1.61 2.46 -1.26 -1.11 115.29 121.72 3duf s HIS 172 Ca 0.03 1.20 -0.07 0.00 0.47 0.00 0.00 55.06 56.68 3duf s HIS 172 Cb -0.16 -3.42 0.36 0.00 -0.13 0.00 0.00 32.58 29.23 3duf s HIS 172 CO -0.04 -1.30 1.72 -0.07 -2.47 0.00 0.00 174.74 172.57 3duf h LEU 173 N 8.66 0.12 0.00 8.88 3.38 -0.93 -1.37 115.31 134.06 3duf h LEU 173 Ca -0.31 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3duf h LEU 173 Cb 1.14 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3duf h LEU 173 CO 0.91 0.05 0.00 1.17 0.09 0.00 0.00 178.44 180.66 3duf n LYS 174 N -5.07 0.56 -0.13 1.13 4.81 -1.26 -2.56 118.16 115.64 3duf n LYS 174 Ca 0.11 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.58 3duf n LYS 174 Cb 0.36 -1.29 0.04 0.00 0.02 0.00 0.00 35.03 34.16 3duf n LYS 174 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3duf n LEU 175 N -0.79 1.15 -0.03 3.14 4.77 -0.52 -4.57 117.00 120.15 3duf n LEU 175 Ca 0.08 -1.56 -0.15 0.00 -0.03 0.00 0.00 56.01 54.35 3duf n LEU 175 Cb 0.04 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 3duf n LEU 175 CO 0.06 0.37 0.44 1.88 -1.33 0.00 0.00 177.39 178.82 3duf h TYR 176 N 0.00 0.31 0.00 -1.77 0.05 -1.45 -3.40 116.97 110.72 3duf h TYR 176 Ca 0.00 -0.14 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 3duf h TYR 176 Cb 0.95 -0.05 -0.14 0.00 1.01 0.00 0.00 36.73 38.50 3duf h TYR 176 CO 0.02 0.88 -0.62 0.54 -1.05 0.00 0.00 178.16 177.94 3duf n ARG 177 N -4.51 0.56 0.17 4.88 1.74 -1.26 -2.80 116.66 115.44 3duf n ARG 177 Ca -0.09 -2.14 0.10 0.00 -0.77 0.00 0.00 57.85 54.96 3duf n ARG 177 Cb 0.47 -0.73 0.10 0.00 -1.02 0.00 0.00 32.46 31.28 3duf n ARG 177 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3duf h SER 178 N 0.59 0.00 -4.96 0.55 4.64 -1.81 -3.48 113.55 109.08 3duf h SER 178 Ca -0.08 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.30 3duf h SER 178 Cb 1.43 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.41 3duf h SER 178 CO 0.04 0.07 0.34 0.72 -0.87 0.00 0.00 176.83 177.13 3duf s PHE 179 N -3.21 -0.34 0.15 4.77 -0.71 -1.26 -5.12 117.98 112.25 3duf s PHE 179 Ca 0.04 0.08 0.10 0.00 -1.04 0.00 0.00 56.93 56.11 3duf s PHE 179 Cb 0.07 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 3duf s PHE 179 CO 0.72 -0.85 -0.19 1.03 -1.34 0.00 0.00 175.22 174.59 3duf s ARG 180 N -3.53 1.74 -0.03 1.99 0.52 -1.26 -4.43 118.95 113.94 3duf s ARG 180 Ca 0.06 -1.28 -0.15 0.00 -0.52 0.00 0.00 55.73 53.84 3duf s ARG 180 Cb -0.02 -2.05 0.03 0.00 0.52 0.00 0.00 34.95 33.43 3duf s ARG 180 CO -0.05 0.45 0.33 -1.14 0.02 0.00 0.00 175.30 174.91 3duf s GLN 181 N -2.37 0.64 0.27 3.54 0.74 -1.20 -4.99 119.66 116.28 3duf s GLN 181 Ca 0.19 -0.07 -0.31 0.00 0.05 0.00 0.00 55.36 55.23 3duf s GLN 181 Cb -0.10 0.29 -0.12 0.00 1.10 0.00 0.00 33.01 34.18 3duf s GLN 181 CO 0.11 -0.17 1.63 -1.91 -0.55 0.00 0.00 175.29 174.40 3duf n GLU 182 N 1.51 2.70 -3.68 1.67 4.07 -1.26 -2.90 120.64 122.76 3duf n GLU 182 Ca -0.20 0.97 -0.15 0.00 -0.06 0.00 0.00 57.16 57.72 3duf n GLU 182 Cb 0.56 -2.76 -0.14 0.00 -0.06 0.00 0.00 31.44 29.03 3duf n GLU 182 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3duf s VAL 183 N 0.34 -0.29 0.58 6.31 1.01 0.14 -4.69 120.40 123.80 3duf s VAL 183 Ca 0.67 0.29 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 3duf s VAL 183 Cb -0.50 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3duf s VAL 183 CO 0.44 0.12 1.31 -2.65 0.00 0.00 0.00 175.10 174.33 3duf n PRO 184 N 5.15 1.49 -3.30 2.72 -0.02 -1.26 -0.08 135.00 139.70 3duf n PRO 184 Ca -0.09 0.56 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 3duf n PRO 184 Cb 0.50 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 3duf n PRO 184 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3duf s GLU 185 N -3.00 4.20 0.00 -0.52 0.41 -1.26 -4.76 118.70 113.77 3duf s GLU 185 Ca 0.75 0.65 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 3duf s GLU 185 Cb -0.41 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 28.65 3duf s GLU 185 CO 0.47 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 176.15 3duf n GLY 186 N 2.14 2.03 3.76 -1.39 0.00 -1.26 -5.03 105.19 105.45 3duf n GLY 186 Ca -0.10 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 3duf n GLY 186 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3duf s GLU 187 N -2.00 4.66 -0.03 1.61 -1.05 -1.26 -5.04 118.70 115.59 3duf s GLU 187 Ca 0.00 1.50 -0.29 0.00 -0.15 0.00 0.00 54.97 56.04 3duf s GLU 187 Cb 0.00 -3.04 0.10 0.00 -0.44 0.00 0.00 34.13 30.75 3duf s GLU 187 CO 0.00 0.32 0.82 1.52 0.95 0.00 0.00 175.26 178.86 3duf s TYR 188 N -1.36 -0.46 0.08 4.83 -0.85 -1.26 -5.19 117.35 113.14 3duf s TYR 188 Ca 0.46 0.56 0.05 0.00 -0.52 0.00 0.00 57.07 57.63 3duf s TYR 188 Cb -0.24 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 3duf s TYR 188 CO 0.31 -0.56 -0.13 0.95 -1.52 0.00 0.00 175.55 174.60 3duf s THR 189 N -2.23 1.09 -0.13 -3.49 -4.23 -1.26 -4.53 115.64 100.86 3duf s THR 189 Ca -0.01 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3duf s THR 189 Cb -0.01 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.69 3duf s THR 189 CO -0.02 -0.31 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.93 3duf s ILE 190 N -1.58 1.78 0.38 2.99 1.01 -1.19 -4.98 121.20 119.61 3duf s ILE 190 Ca 0.00 -0.81 -0.27 0.00 0.00 0.00 0.00 60.65 59.57 3duf s ILE 190 Cb -0.08 -1.60 -0.11 0.00 0.01 0.00 0.00 42.46 40.67 3duf s ILE 190 CO 0.02 0.50 1.34 -0.81 0.00 0.00 0.00 174.94 175.99 3duf n PRO 191 N 4.19 2.22 -2.97 2.79 -0.04 -1.26 -4.45 135.00 135.47 3duf n PRO 191 Ca -0.19 0.78 -0.41 0.00 -0.04 0.00 0.00 63.50 63.64 3duf n PRO 191 Cb 0.51 -2.45 -0.05 0.00 -0.04 0.00 0.00 33.50 31.48 3duf n PRO 191 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3duf s ILE 192 N -1.14 4.93 0.00 0.52 1.01 -1.26 -3.77 121.20 121.50 3duf s ILE 192 Ca 0.57 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.68 3duf s ILE 192 Cb -0.52 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 37.88 3duf s ILE 192 CO 0.61 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.21 3duf n GLY 193 N 3.61 1.69 2.83 6.18 0.00 -1.26 -4.99 105.19 113.25 3duf n GLY 193 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3duf n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3duf s LYS 194 N -0.37 1.10 0.95 1.61 2.47 -1.25 -4.31 119.74 119.94 3duf s LYS 194 Ca 0.00 -0.44 -0.15 0.00 -1.56 0.00 0.00 55.97 53.82 3duf s LYS 194 Cb 0.00 -1.94 0.19 0.00 -1.46 0.00 0.00 37.83 34.62 3duf s LYS 194 CO 0.00 -0.49 1.31 0.00 0.16 0.00 0.00 175.35 176.33 3duf s ALA 195 N 1.73 2.30 -0.00 3.13 0.00 -1.20 -4.68 121.76 123.03 3duf s ALA 195 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 3duf s ALA 195 Cb -0.16 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.24 3duf s ALA 195 CO -0.07 -2.37 0.48 0.16 0.00 0.00 0.00 175.76 173.95 3duf s ASP 196 N -4.87 -0.39 -0.46 0.00 -4.77 -0.88 -5.02 116.67 100.28 3duf s ASP 196 Ca 0.73 0.28 -0.24 0.00 -3.30 0.00 0.00 52.55 50.02 3duf s ASP 196 Cb -0.04 0.43 0.03 0.00 -1.09 0.00 0.00 42.92 42.25 3duf s ASP 196 CO 0.53 -0.58 0.84 -0.63 0.70 0.00 0.00 175.17 176.02 3duf s ILE 197 N -1.68 4.58 0.13 2.11 1.01 -1.26 -2.26 121.20 123.83 3duf s ILE 197 Ca -0.10 0.51 0.15 0.00 0.00 0.00 0.00 60.65 61.22 3duf s ILE 197 Cb -0.02 -4.37 0.06 0.00 0.01 0.00 0.00 42.46 38.13 3duf s ILE 197 CO 0.04 -0.78 1.62 0.11 0.00 0.00 0.00 174.94 175.92 3duf h LYS 198 N 9.03 0.00 -2.44 2.79 6.56 -1.69 -3.45 116.57 127.37 3duf h LYS 198 Ca -0.25 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.27 3duf h LYS 198 Cb 1.08 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 32.50 3duf h LYS 198 CO 0.99 0.51 -0.16 0.50 -2.06 0.00 0.00 179.45 179.23 3duf s ARG 199 N -3.42 0.54 0.21 3.15 3.52 -1.14 -4.98 118.95 116.83 3duf s ARG 199 Ca 0.00 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.18 3duf s ARG 199 Cb 0.11 0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 33.53 3duf s ARG 199 CO 0.72 -0.13 1.12 -1.21 -0.81 0.00 0.00 175.30 175.00 3duf s GLU 200 N 1.09 4.59 0.20 5.12 0.41 -1.26 -1.32 118.70 127.53 3duf s GLU 200 Ca -0.07 1.78 -0.11 0.00 -0.41 0.00 0.00 54.97 56.17 3duf s GLU 200 Cb -0.06 -3.24 -0.01 0.00 -1.78 0.00 0.00 34.13 29.05 3duf s GLU 200 CO -0.10 0.08 0.37 0.20 -0.49 0.00 0.00 175.26 175.32 3duf s GLY 201 N -0.31 0.51 0.00 -1.39 0.00 -1.26 -4.55 107.32 100.32 3duf s GLY 201 Ca 0.48 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3duf s GLY 201 CO 0.37 -0.73 0.00 1.17 0.00 0.00 0.00 173.10 173.91 3duf n LYS 202 N -0.30 0.32 0.02 2.90 0.00 -1.04 -4.56 118.16 115.50 3duf n LYS 202 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.07 3duf n LYS 202 Cb 0.63 -0.83 -0.11 0.00 0.00 0.00 0.00 35.03 34.72 3duf n LYS 202 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3duf h ASP 203 N 0.00 0.73 -3.65 3.14 3.32 -0.90 -3.38 116.42 115.67 3duf h ASP 203 Ca 0.00 -0.74 -0.10 0.00 0.02 0.00 0.00 57.03 56.21 3duf h ASP 203 Cb 0.65 -0.22 -0.24 0.00 0.22 0.00 0.00 39.33 39.74 3duf h ASP 203 CO 0.00 1.37 -0.18 -0.51 -1.72 0.00 0.00 179.24 178.20 3duf s ILE 204 N -3.29 -0.01 0.20 0.35 2.07 -0.86 -4.48 121.20 115.19 3duf s ILE 204 Ca -0.12 0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 58.90 3duf s ILE 204 Cb 0.05 -0.68 -0.08 0.00 0.13 0.00 0.00 42.46 41.88 3duf s ILE 204 CO 0.87 0.01 0.80 -0.89 -1.91 0.00 0.00 174.94 173.82 3duf s THR 205 N 0.68 4.36 -0.20 4.00 2.01 -0.46 -0.84 115.64 125.18 3duf s THR 205 Ca -0.03 1.68 -0.00 0.00 0.31 0.00 0.00 61.69 63.64 3duf s THR 205 Cb -0.05 -4.09 0.05 0.00 0.01 0.00 0.00 72.50 68.42 3duf s THR 205 CO -0.05 0.43 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.65 3duf s ILE 206 N -1.27 1.16 -0.18 1.82 1.01 0.11 -2.14 121.20 121.72 3duf s ILE 206 Ca 0.39 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 3duf s ILE 206 Cb -0.22 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 3duf s ILE 206 CO 0.26 -0.04 0.27 -0.63 0.00 0.00 0.00 174.94 174.79 3duf s ILE 207 N 1.58 5.31 0.24 2.92 1.01 -0.60 -0.61 121.20 131.04 3duf s ILE 207 Ca -0.02 0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.92 3duf s ILE 207 Cb -0.17 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.71 3duf s ILE 207 CO -0.07 0.37 0.58 0.00 0.00 0.00 0.00 174.94 175.82 3duf s ALA 208 N 0.67 -0.84 -0.06 9.38 0.00 -0.33 -0.65 121.76 129.93 3duf s ALA 208 Ca 0.14 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.44 3duf s ALA 208 Cb -0.13 0.92 0.05 0.00 0.00 0.00 0.00 23.12 23.96 3duf s ALA 208 CO 0.04 -0.90 0.51 1.52 0.00 0.00 0.00 175.76 176.92 3duf s TYR 209 N -3.93 -0.45 0.00 0.00 1.13 -1.26 -1.91 117.35 110.93 3duf s TYR 209 Ca 0.14 0.82 0.00 0.00 -1.41 0.00 0.00 57.07 56.62 3duf s TYR 209 Cb -0.03 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 41.09 3duf s TYR 209 CO 0.04 -0.47 0.00 0.41 -2.51 0.00 0.00 175.55 173.02 3duf n GLY 210 N 1.32 0.28 0.00 5.49 0.00 -1.26 -3.58 105.19 107.44 3duf n GLY 210 Ca -0.19 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 44.88 3duf n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3duf n ALA 211 N 6.65 2.05 0.76 4.61 0.00 -1.26 -2.47 120.51 130.86 3duf n ALA 211 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.48 3duf n ALA 211 Cb 0.00 -1.35 0.36 0.00 0.00 0.00 0.00 19.45 18.46 3duf n ALA 211 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3duf n MET 212 N -1.40 0.16 -0.13 0.00 2.00 -1.23 -2.98 117.12 113.54 3duf n MET 212 Ca 0.08 0.09 -0.11 0.00 0.00 0.00 0.00 57.70 57.75 3duf n MET 212 Cb 0.22 -1.65 -0.02 0.00 0.00 0.00 0.00 33.22 31.77 3duf n MET 212 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3duf h VAL 213 N 0.00 1.28 -0.37 2.03 2.07 -1.67 0.52 116.25 120.11 3duf h VAL 213 Ca 0.00 -1.19 -0.16 0.00 0.82 0.00 0.00 66.70 66.17 3duf h VAL 213 Cb 0.64 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3duf h VAL 213 CO 0.00 0.39 -0.41 -0.74 0.02 0.00 0.00 177.57 176.83 3duf h HIS 214 N 0.52 1.13 0.00 1.57 -0.00 -1.74 -2.21 115.15 114.42 3duf h HIS 214 Ca 0.09 -0.35 -0.02 0.00 -0.00 0.00 0.00 60.37 60.10 3duf h HIS 214 Cb 0.62 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 3duf h HIS 214 CO 0.05 1.18 -0.08 0.93 -0.00 0.00 0.00 177.93 180.01 3duf h GLU 215 N 0.75 0.00 0.00 5.26 4.39 -1.41 -1.63 114.58 121.95 3duf h GLU 215 Ca 0.05 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.57 3duf h GLU 215 Cb 1.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 3duf h GLU 215 CO 0.10 0.08 -0.87 0.77 -1.16 0.00 0.00 179.01 177.93 3duf h SER 216 N 0.00 0.00 -0.00 1.42 0.02 -0.50 -2.87 113.55 111.62 3duf h SER 216 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 3duf h SER 216 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3duf h SER 216 CO 0.01 0.87 -0.65 -0.07 -1.14 0.00 0.00 176.83 175.86 3duf h LEU 217 N 0.00 0.72 -1.34 5.07 3.38 -0.71 0.18 115.31 122.60 3duf h LEU 217 Ca -0.01 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3duf h LEU 217 Cb 1.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3duf h LEU 217 CO 0.11 1.18 -0.21 0.11 0.09 0.00 0.00 178.44 179.72 3duf h LYS 218 N 0.45 0.00 0.05 1.13 1.57 -1.46 -1.08 116.57 117.23 3duf h LYS 218 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 3duf h LYS 218 Cb 1.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.55 3duf h LYS 218 CO 0.13 0.21 -0.59 0.00 -0.57 0.00 0.00 179.45 178.62 3duf h ALA 219 N 1.79 0.00 -0.61 3.86 0.00 -1.22 -2.66 119.26 120.42 3duf h ALA 219 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3duf h ALA 219 Cb 0.64 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3duf h ALA 219 CO 0.03 0.30 0.37 0.00 0.00 0.00 0.00 179.25 179.95 3duf h ALA 220 N 0.21 0.78 -0.56 0.00 0.00 -0.40 -1.33 119.26 117.95 3duf h ALA 220 Ca -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3duf h ALA 220 Cb 1.37 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3duf h ALA 220 CO 0.11 0.25 0.31 0.00 0.00 0.00 0.00 179.25 179.93 3duf h ALA 221 N 1.19 0.72 0.00 0.00 0.00 -1.28 -1.29 119.26 118.59 3duf h ALA 221 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3duf h ALA 221 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3duf h ALA 221 CO -0.04 0.23 -0.26 1.49 0.00 0.00 0.00 179.25 180.67 3duf h GLU 222 N 0.75 0.00 -0.06 0.00 4.57 -1.22 -2.90 114.58 115.72 3duf h GLU 222 Ca 0.20 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.13 3duf h GLU 222 Cb 0.03 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3duf h GLU 222 CO -0.03 0.26 -0.93 -0.07 -1.18 0.00 0.00 179.01 177.05 3duf h LEU 223 N 0.00 0.89 -1.57 1.64 3.38 -0.52 -3.17 115.31 115.96 3duf h LEU 223 Ca -0.00 -0.66 0.26 0.00 0.09 0.00 0.00 57.88 57.57 3duf h LEU 223 Cb 0.58 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3duf h LEU 223 CO 0.03 1.46 0.67 -0.08 0.09 0.00 0.00 178.44 180.61 3duf h GLU 224 N 0.44 0.29 0.00 1.13 4.57 -1.05 0.68 114.58 120.64 3duf h GLU 224 Ca -0.10 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3duf h GLU 224 Cb 1.57 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 3duf h GLU 224 CO 0.18 0.19 -0.21 0.87 -1.18 0.00 0.00 179.01 178.87 3duf h LYS 225 N 0.30 0.00 -0.12 1.92 1.57 -1.61 -2.66 116.57 115.98 3duf h LYS 225 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3duf h LYS 225 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3duf h LYS 225 CO -0.19 0.21 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 3duf n GLU 226 N -3.52 2.32 -0.19 3.15 1.02 0.23 -4.96 120.64 118.70 3duf n GLU 226 Ca -0.01 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 3duf n GLU 226 Cb 0.36 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3duf n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3duf n GLY 227 N 1.37 0.75 3.64 0.62 0.00 -0.77 -5.07 105.19 105.74 3duf n GLY 227 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3duf n GLY 227 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3duf s ILE 228 N -2.18 5.31 -0.49 -0.61 1.01 -0.99 -4.98 121.20 118.26 3duf s ILE 228 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 3duf s ILE 228 Cb 0.00 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.96 3duf s ILE 228 CO 0.00 0.29 0.66 -0.55 0.00 0.00 0.00 174.94 175.35 3duf s SER 229 N 1.27 6.26 -0.19 3.58 0.15 -1.26 -3.40 113.70 120.11 3duf s SER 229 Ca 0.10 -0.71 -0.05 0.00 0.70 0.00 0.00 55.95 55.98 3duf s SER 229 Cb -0.14 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 3duf s SER 229 CO 0.07 -0.90 0.00 0.00 1.20 0.00 0.00 173.24 173.62 3duf s ALA 230 N 2.81 3.10 -0.26 5.45 0.00 -1.26 -0.17 121.76 131.43 3duf s ALA 230 Ca 0.18 -0.90 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 3duf s ALA 230 Cb -0.17 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 3duf s ALA 230 CO 0.14 -0.00 0.60 -2.00 0.00 0.00 0.00 175.76 174.50 3duf s GLU 231 N 0.74 4.08 -0.23 0.00 2.12 -0.02 -4.10 118.70 121.28 3duf s GLU 231 Ca 0.00 0.47 -0.13 0.00 0.36 0.00 0.00 54.97 55.68 3duf s GLU 231 Cb -0.14 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 3duf s GLU 231 CO 0.02 -0.42 0.28 0.08 -0.54 0.00 0.00 175.26 174.68 3duf s VAL 232 N 2.47 5.28 -0.12 3.70 1.01 -0.43 0.10 120.40 132.41 3duf s VAL 232 Ca 0.25 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.69 3duf s VAL 232 Cb -0.15 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3duf s VAL 232 CO 0.09 0.29 -0.22 -0.69 0.00 0.00 0.00 175.10 174.56 3duf s VAL 233 N 1.28 2.01 -0.21 2.92 1.01 0.21 -1.65 120.40 125.98 3duf s VAL 233 Ca 0.13 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 3duf s VAL 233 Cb -0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3duf s VAL 233 CO 0.07 0.55 0.05 -0.62 0.00 0.00 0.00 175.10 175.15 3duf s ASP 234 N 0.59 5.27 0.18 3.32 2.15 -0.96 -1.18 116.67 126.04 3duf s ASP 234 Ca -0.13 -0.09 -0.12 0.00 0.43 0.00 0.00 52.55 52.64 3duf s ASP 234 Cb -0.17 -1.92 0.10 0.00 -0.30 0.00 0.00 42.92 40.63 3duf s ASP 234 CO 0.03 0.07 1.80 -0.07 -0.17 0.00 0.00 175.17 176.84 3duf h LEU 235 N 7.49 0.78 0.00 -1.34 3.38 -1.69 -2.33 115.31 121.60 3duf h LEU 235 Ca -0.36 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3duf h LEU 235 Cb 1.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3duf h LEU 235 CO 0.63 0.64 0.00 0.54 0.09 0.00 0.00 178.44 180.34 3duf n ARG 236 N -4.56 0.00 -3.80 1.13 1.74 -1.26 -3.24 116.66 106.67 3duf n ARG 236 Ca 0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 3duf n ARG 236 Cb 0.08 -3.47 -0.14 0.00 -1.02 0.00 0.00 32.46 27.90 3duf n ARG 236 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3duf s THR 237 N -0.39 -0.03 -1.37 0.55 2.01 -1.26 -2.84 115.64 112.31 3duf s THR 237 Ca 0.00 0.11 0.13 0.00 0.31 0.00 0.00 61.69 62.24 3duf s THR 237 Cb 0.00 -0.13 0.05 0.00 0.01 0.00 0.00 72.50 72.43 3duf s THR 237 CO 0.00 0.05 0.81 1.33 -0.69 0.00 0.00 174.62 176.12 3duf n VAL 238 N 3.70 0.00 -3.15 3.82 0.24 -0.85 -4.70 118.33 117.39 3duf n VAL 238 Ca -0.21 -0.43 0.05 0.00 -2.04 0.00 0.00 64.34 61.71 3duf n VAL 238 Cb 0.55 1.21 -0.01 0.00 -1.47 0.00 0.00 33.84 34.11 3duf n VAL 238 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3duf s GLN 239 N -1.35 0.34 0.45 7.34 2.00 -1.24 -4.35 119.66 122.86 3duf s GLN 239 Ca 0.13 0.58 -0.22 0.00 -2.00 0.00 0.00 55.36 53.85 3duf s GLN 239 Cb 0.10 0.32 -0.09 0.00 0.80 0.00 0.00 33.01 34.14 3duf s GLN 239 CO 0.24 -0.40 1.03 -1.25 -0.50 0.00 0.00 175.29 174.41 3duf s PRO 240 N 2.91 3.98 0.46 1.67 0.04 -1.26 -1.56 135.00 141.25 3duf s PRO 240 Ca 0.09 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.30 3duf s PRO 240 Cb -0.12 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 3duf s PRO 240 CO -0.16 -0.28 1.02 -0.51 0.04 0.00 0.00 177.00 177.11 3duf s LEU 241 N -3.16 3.90 -1.01 -3.56 2.01 -1.26 -4.61 118.68 111.00 3duf s LEU 241 Ca 0.63 1.90 -0.14 0.00 0.01 0.00 0.00 54.13 56.54 3duf s LEU 241 Cb -0.17 -4.50 0.19 0.00 0.01 0.00 0.00 46.19 41.72 3duf s LEU 241 CO 0.22 -0.67 1.11 -0.62 1.01 0.00 0.00 176.35 177.40 3duf s ASP 242 N -1.95 6.92 0.04 2.29 2.15 -1.26 -4.87 116.67 119.98 3duf s ASP 242 Ca 0.65 -2.77 -0.25 0.00 0.43 0.00 0.00 52.55 50.61 3duf s ASP 242 Cb -0.16 -2.31 -0.17 0.00 -0.30 0.00 0.00 42.92 39.98 3duf s ASP 242 CO 0.20 -0.70 1.51 0.40 -0.17 0.00 0.00 175.17 176.41 3duf h ILE 243 N 4.82 1.08 -0.54 4.11 1.08 -1.93 -2.64 117.51 123.49 3duf h ILE 243 Ca 0.19 -0.48 0.11 0.00 -0.39 0.00 0.00 64.86 64.29 3duf h ILE 243 Cb 0.96 1.40 -0.11 0.00 -3.07 0.00 0.00 36.82 36.00 3duf h ILE 243 CO 1.03 0.12 -0.20 -0.08 -0.69 0.00 0.00 178.15 178.33 3duf h GLU 244 N -0.30 -0.07 0.25 2.37 4.22 -1.99 0.27 114.58 119.33 3duf h GLU 244 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 3duf h GLU 244 Cb 0.26 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3duf h GLU 244 CO 0.01 -0.05 -0.12 1.15 -2.18 0.00 0.00 179.01 177.82 3duf h THR 245 N -0.07 0.80 -0.38 0.32 2.02 -1.98 -0.69 112.91 112.92 3duf h THR 245 Ca 0.25 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 67.08 3duf h THR 245 Cb 0.47 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 3duf h THR 245 CO -0.60 0.09 0.07 0.40 0.37 0.00 0.00 175.52 175.85 3duf h ILE 246 N -0.55 0.79 -0.52 3.11 5.03 -1.06 -2.36 117.51 121.95 3duf h ILE 246 Ca -0.03 -0.06 -0.01 0.00 -0.12 0.00 0.00 64.86 64.63 3duf h ILE 246 Cb 0.41 0.59 -0.02 0.00 -3.03 0.00 0.00 36.82 34.76 3duf h ILE 246 CO 0.06 0.03 0.28 0.40 -0.68 0.00 0.00 178.15 178.25 3duf h ILE 247 N 0.19 1.18 -0.18 -0.67 2.04 -0.46 -1.86 117.51 117.75 3duf h ILE 247 Ca 0.18 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3duf h ILE 247 Cb 0.22 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3duf h ILE 247 CO -0.25 0.19 0.23 1.23 0.00 0.00 0.00 178.15 179.55 3duf h GLY 248 N 0.70 0.00 0.70 5.37 0.00 -0.61 0.31 103.07 109.54 3duf h GLY 248 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.20 3duf h GLY 248 CO -0.03 0.00 -1.60 0.23 0.00 0.00 0.00 176.54 175.14 3duf h SER 249 N 0.00 0.48 0.00 0.19 0.87 -0.97 -3.22 113.55 110.90 3duf h SER 249 Ca 0.09 -0.90 -0.18 0.00 -1.23 0.00 0.00 61.79 59.57 3duf h SER 249 Cb 0.54 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3duf h SER 249 CO -0.00 1.71 -0.63 0.58 -0.53 0.00 0.00 176.83 177.96 3duf h VAL 250 N -0.11 1.32 0.00 2.23 2.07 -0.79 -2.09 116.25 118.87 3duf h VAL 250 Ca -0.33 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 3duf h VAL 250 Cb 1.92 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3duf h VAL 250 CO 0.11 0.59 -0.04 -0.33 0.02 0.00 0.00 177.57 177.92 3duf h GLU 251 N 0.45 0.00 0.12 1.57 5.08 -0.56 1.50 114.58 122.74 3duf h GLU 251 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 3duf h GLU 251 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3duf h GLU 251 CO 0.12 0.04 -1.63 -0.22 -1.00 0.00 0.00 179.01 176.32 3duf h LYS 252 N 0.00 0.26 0.03 2.33 3.64 -1.47 -3.39 116.57 117.96 3duf h LYS 252 Ca -0.00 -0.44 -0.35 0.00 -1.27 0.00 0.00 60.65 58.59 3duf h LYS 252 Cb 0.24 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 3duf h LYS 252 CO 0.01 1.11 -2.15 0.25 -2.27 0.00 0.00 179.45 176.40 3duf n THR 253 N -3.45 1.55 -0.99 1.00 -2.24 -0.82 -4.97 114.28 104.36 3duf n THR 253 Ca -0.19 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3duf n THR 253 Cb 1.05 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3duf n THR 253 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3duf n GLY 254 N 1.86 0.92 2.97 3.38 0.00 0.51 -4.78 105.19 110.05 3duf n GLY 254 Ca -0.31 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 3duf n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3duf s ARG 255 N -0.03 0.29 0.03 1.61 0.52 -1.26 -0.74 118.95 119.37 3duf s ARG 255 Ca 0.00 -0.46 -0.27 0.00 -0.52 0.00 0.00 55.73 54.48 3duf s ARG 255 Cb 0.00 -0.04 0.07 0.00 0.52 0.00 0.00 34.95 35.50 3duf s ARG 255 CO 0.00 -0.01 0.63 0.00 0.02 0.00 0.00 175.30 175.95 3duf s ALA 256 N -0.99 -1.66 -0.05 2.13 0.00 -1.26 -1.35 121.76 118.58 3duf s ALA 256 Ca -0.10 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 3duf s ALA 256 Cb -0.07 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.41 3duf s ALA 256 CO -0.00 -0.52 0.12 0.96 0.00 0.00 0.00 175.76 176.32 3duf s ILE 257 N -2.20 -0.01 -0.14 0.00 -4.36 -0.91 -3.05 121.20 110.53 3duf s ILE 257 Ca -0.06 0.02 -0.05 0.00 -0.26 0.00 0.00 60.65 60.30 3duf s ILE 257 Cb -0.00 -0.18 -0.03 0.00 1.25 0.00 0.00 42.46 43.49 3duf s ILE 257 CO 0.01 0.01 0.02 -0.69 0.24 0.00 0.00 174.94 174.53 3duf s VAL 258 N 0.20 4.43 -0.05 8.37 1.01 -0.29 -1.56 120.40 132.50 3duf s VAL 258 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3duf s VAL 258 Cb -0.02 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3duf s VAL 258 CO -0.01 0.52 -0.25 -0.69 0.00 0.00 0.00 175.10 174.68 3duf s VAL 259 N -0.10 2.12 0.03 2.92 1.01 0.17 0.35 120.40 126.90 3duf s VAL 259 Ca 0.05 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 3duf s VAL 259 Cb -0.12 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3duf s VAL 259 CO 0.02 0.57 0.37 0.00 0.00 0.00 0.00 175.10 176.06 3duf s GLN 260 N -0.28 0.84 0.10 2.72 -2.07 -0.49 -4.19 119.66 116.29 3duf s GLN 260 Ca -0.00 -0.35 0.05 0.00 -1.82 0.00 0.00 55.36 53.24 3duf s GLN 260 Cb -0.13 0.37 -0.23 0.00 -1.09 0.00 0.00 33.01 31.94 3duf s GLN 260 CO 0.03 -0.27 1.20 1.49 -1.32 0.00 0.00 175.29 176.41 3duf h GLU 261 N 3.25 0.06 -7.18 9.60 4.81 -1.87 -3.38 114.58 119.86 3duf h GLU 261 Ca -0.31 -0.10 -0.47 0.00 -0.13 0.00 0.00 59.36 58.36 3duf h GLU 261 Cb 1.19 0.04 0.21 0.00 0.63 0.00 0.00 28.75 30.82 3duf h GLU 261 CO 0.43 1.01 0.08 0.00 -0.73 0.00 0.00 179.01 179.81 3duf s ALA 262 N -2.69 0.20 0.83 2.92 0.00 -1.26 -4.00 121.76 117.75 3duf s ALA 262 Ca -0.01 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 3duf s ALA 262 Cb 0.09 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.97 3duf s ALA 262 CO 0.83 -3.50 1.12 -0.65 0.00 0.00 0.00 175.76 173.57 3duf s GLN 263 N -4.51 1.73 0.24 0.00 1.11 -1.26 -1.99 119.66 114.98 3duf s GLN 263 Ca 0.68 1.39 -0.06 0.00 0.01 0.00 0.00 55.36 57.38 3duf s GLN 263 Cb -0.25 -1.82 0.32 0.00 -1.01 0.00 0.00 33.01 30.26 3duf s GLN 263 CO 0.62 -2.08 1.85 -0.09 0.01 0.00 0.00 175.29 175.61 3duf h ARG 264 N -1.35 0.93 0.00 2.91 2.43 -1.62 -1.26 114.38 116.43 3duf h ARG 264 Ca -0.44 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3duf h ARG 264 Cb 1.25 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3duf h ARG 264 CO 0.47 0.62 0.00 0.00 -1.51 0.00 0.00 179.97 179.55 3duf n GLN 265 N -4.62 0.43 -2.25 0.20 10.64 -1.26 -4.82 117.38 115.69 3duf n GLN 265 Ca 0.12 0.05 -0.03 0.00 -1.83 0.00 0.00 57.00 55.31 3duf n GLN 265 Cb 0.17 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.04 3duf n GLN 265 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3duf n ALA 266 N -1.23 0.04 0.00 2.61 0.00 -0.48 -5.09 120.51 116.37 3duf n ALA 266 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3duf n ALA 266 Cb 0.17 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3duf n ALA 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3duf n GLY 267 N 4.12 -1.76 0.00 0.00 0.00 -1.26 -4.59 105.19 101.70 3duf n GLY 267 Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3duf n GLY 267 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3duf n ILE 268 N 0.00 0.48 0.30 -0.61 -6.64 -1.26 -4.44 119.36 107.19 3duf n ILE 268 Ca 0.00 -0.56 -0.17 0.00 -1.77 0.00 0.00 62.75 60.25 3duf n ILE 268 Cb 0.00 0.85 -0.09 0.00 -1.44 0.00 0.00 39.64 38.96 3duf n ILE 268 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3duf h ALA 269 N 0.00 -1.15 -0.27 -1.28 0.00 -1.95 -2.09 119.26 112.52 3duf h ALA 269 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3duf h ALA 269 Cb 0.56 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3duf h ALA 269 CO 0.00 -1.16 0.44 0.00 0.00 0.00 0.00 179.25 178.53 3duf h ALA 270 N -1.06 1.85 0.04 0.00 0.00 -1.88 0.33 119.26 118.54 3duf h ALA 270 Ca -0.07 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 3duf h ALA 270 Cb 0.81 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3duf h ALA 270 CO -0.02 -0.58 -1.26 -0.97 0.00 0.00 0.00 179.25 176.43 3duf h ASN 271 N 0.00 0.12 0.42 0.00 -1.24 -1.77 -3.04 115.58 110.07 3duf h ASN 271 Ca 0.13 -0.15 -0.19 0.00 0.71 0.00 0.00 56.30 56.80 3duf h ASN 271 Cb 1.00 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 3duf h ASN 271 CO -0.00 1.12 -0.79 0.58 -1.29 0.00 0.00 177.43 177.05 3duf h VAL 272 N 0.02 1.43 -0.06 2.57 2.07 0.23 -3.05 116.25 119.45 3duf h VAL 272 Ca -0.12 -2.34 -0.05 0.00 0.82 0.00 0.00 66.70 65.01 3duf h VAL 272 Cb 1.88 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.91 3duf h VAL 272 CO 0.13 0.69 -0.21 0.58 0.02 0.00 0.00 177.57 178.78 3duf h VAL 273 N 0.18 1.19 -0.06 2.57 2.07 -1.21 -2.70 116.25 118.29 3duf h VAL 273 Ca -0.04 -0.86 -0.19 0.00 0.82 0.00 0.00 66.70 66.43 3duf h VAL 273 Cb 1.38 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3duf h VAL 273 CO 0.13 0.26 -0.76 0.00 0.02 0.00 0.00 177.57 177.21 3duf h ALA 274 N 1.69 0.58 -0.14 1.67 0.00 -1.43 -2.35 119.26 119.28 3duf h ALA 274 Ca 0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 3duf h ALA 274 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3duf h ALA 274 CO 0.03 0.78 -0.59 0.93 0.00 0.00 0.00 179.25 180.40 3duf h GLU 275 N 0.25 0.46 -0.21 0.00 4.39 -1.46 -2.85 114.58 115.17 3duf h GLU 275 Ca -0.04 -0.31 -0.14 0.00 0.34 0.00 0.00 59.36 59.21 3duf h GLU 275 Cb 1.34 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 3duf h GLU 275 CO 0.13 0.92 -0.42 0.82 -1.16 0.00 0.00 179.01 179.30 3duf h ILE 276 N 0.35 1.32 0.00 3.13 2.04 -1.50 -2.43 117.51 120.42 3duf h ILE 276 Ca -0.00 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.21 3duf h ILE 276 Cb 1.13 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 3duf h ILE 276 CO 0.11 0.51 0.00 0.59 0.00 0.00 0.00 178.15 179.36 3duf n ASN 277 N -4.21 0.00 -0.00 1.72 4.13 -0.89 -0.87 115.26 115.15 3duf n ASN 277 Ca -0.06 0.22 0.06 0.00 1.68 0.00 0.00 54.58 56.48 3duf n ASN 277 Cb 0.55 -0.37 -0.08 0.00 -1.54 0.00 0.00 39.78 38.35 3duf n ASN 277 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3duf n GLU 278 N -1.37 1.95 0.00 3.52 2.13 -1.08 -4.32 120.64 121.48 3duf n GLU 278 Ca 0.06 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3duf n GLU 278 Cb 0.15 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 30.72 3duf n GLU 278 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3duf n ARG 279 N -1.55 2.98 -0.46 5.31 1.74 -0.93 -4.75 116.66 118.99 3duf n ARG 279 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.15 3duf n ARG 279 Cb 0.24 -0.94 0.23 0.00 -1.02 0.00 0.00 32.46 30.97 3duf n ARG 279 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3duf n ALA 280 N -1.73 3.14 -0.08 7.54 0.00 -0.05 -4.67 120.51 124.67 3duf n ALA 280 Ca 0.00 -2.51 0.12 0.00 0.00 0.00 0.00 53.44 51.06 3duf n ALA 280 Cb 0.36 -0.68 0.51 0.00 0.00 0.00 0.00 19.45 19.64 3duf n ALA 280 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3duf h ILE 281 N 1.41 0.89 0.00 0.00 -0.00 -1.75 -0.51 117.51 117.55 3duf h ILE 281 Ca 0.04 -0.13 0.00 0.00 -0.00 0.00 0.00 64.86 64.77 3duf h ILE 281 Cb 1.43 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 38.72 3duf h ILE 281 CO 0.23 0.07 0.00 0.18 -0.00 0.00 0.00 178.15 178.63 3duf n LEU 282 N -4.47 0.32 -0.01 2.19 4.77 -1.26 -3.42 117.00 115.13 3duf n LEU 282 Ca 0.10 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.69 3duf n LEU 282 Cb 0.38 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 3duf n LEU 282 CO 0.34 -0.26 -0.66 -1.20 -1.33 0.00 0.00 177.39 174.28 3duf n SER 283 N -1.83 2.07 -4.71 -1.43 7.64 -0.25 -5.00 113.62 110.11 3duf n SER 283 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.50 3duf n SER 283 Cb 0.27 1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 65.00 3duf n SER 283 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3duf s LEU 284 N -3.93 4.37 0.00 -3.43 1.43 -0.87 -4.42 118.68 111.83 3duf s LEU 284 Ca -0.05 2.60 0.14 0.00 -1.03 0.00 0.00 54.13 55.78 3duf s LEU 284 Cb 0.08 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.77 3duf s LEU 284 CO 0.53 -0.87 0.84 -0.62 0.23 0.00 0.00 176.35 176.46 3duf n GLU 285 N 4.72 1.46 -3.52 1.70 1.02 0.08 -4.99 120.64 121.11 3duf n GLU 285 Ca 0.15 -0.99 -0.14 0.00 -0.02 0.00 0.00 57.16 56.16 3duf n GLU 285 Cb 0.39 -1.22 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 3duf n GLU 285 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3duf s ALA 286 N -1.43 -1.48 0.21 0.62 0.00 -1.25 -5.06 121.76 113.38 3duf s ALA 286 Ca 0.13 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 3duf s ALA 286 Cb 0.11 0.50 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 3duf s ALA 286 CO 0.26 -0.58 1.23 -1.25 0.00 0.00 0.00 175.76 175.42 3duf s PRO 287 N -2.72 4.47 -0.22 0.00 0.04 -1.26 -4.77 135.00 130.54 3duf s PRO 287 Ca -0.04 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 3duf s PRO 287 Cb -0.00 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 3duf s PRO 287 CO -0.04 -0.11 1.56 0.08 0.04 0.00 0.00 177.00 178.54 3duf s VAL 288 N -0.24 3.77 0.29 -0.36 1.01 -1.26 -4.80 120.40 118.81 3duf s VAL 288 Ca 0.52 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.42 3duf s VAL 288 Cb -0.34 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3duf s VAL 288 CO 0.39 -0.31 0.43 -0.76 0.00 0.00 0.00 175.10 174.85 3duf s LEU 289 N 4.99 4.16 0.13 3.92 1.43 -1.17 -4.95 118.68 127.18 3duf s LEU 289 Ca 0.69 0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.95 3duf s LEU 289 Cb -0.24 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 3duf s LEU 289 CO 0.28 -0.22 -0.18 -0.13 0.23 0.00 0.00 176.35 176.33 3duf s ARG 290 N -4.10 1.76 -0.20 1.70 0.52 -1.26 -1.13 118.95 116.23 3duf s ARG 290 Ca 0.38 -1.21 0.02 0.00 -0.52 0.00 0.00 55.73 54.40 3duf s ARG 290 Cb -0.09 -2.09 0.03 0.00 0.52 0.00 0.00 34.95 33.32 3duf s ARG 290 CO 0.31 0.47 -0.17 0.08 0.02 0.00 0.00 175.30 176.01 3duf s VAL 291 N -1.20 2.07 0.33 3.52 1.01 0.15 -4.92 120.40 121.37 3duf s VAL 291 Ca 0.18 -1.13 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3duf s VAL 291 Cb -0.10 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.34 3duf s VAL 291 CO 0.10 0.38 0.57 0.00 0.00 0.00 0.00 175.10 176.15 3duf n ALA 292 N 4.57 -0.95 -2.08 5.51 0.00 -1.26 -1.40 120.51 124.90 3duf n ALA 292 Ca -0.19 -1.27 -0.28 0.00 0.00 0.00 0.00 53.44 51.70 3duf n ALA 292 Cb 0.48 1.02 0.02 0.00 0.00 0.00 0.00 19.45 20.96 3duf n ALA 292 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3duf s ALA 293 N -2.28 3.25 0.64 0.00 0.00 -0.84 -4.82 121.76 117.71 3duf s ALA 293 Ca 0.20 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.47 3duf s ALA 293 Cb -0.03 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 3duf s ALA 293 CO 0.14 -0.69 1.27 -2.14 0.00 0.00 0.00 175.76 174.34 3duf s PRO 294 N -4.99 2.65 -0.06 0.00 0.02 -1.26 -1.92 135.00 129.43 3duf s PRO 294 Ca 0.53 1.98 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 3duf s PRO 294 Cb -0.11 -1.87 -0.20 0.00 0.02 0.00 0.00 34.50 32.35 3duf s PRO 294 CO 0.47 -1.50 2.89 -0.25 -0.33 0.00 0.00 177.00 178.28 3duf n ASP 295 N -1.86 4.17 -4.59 2.53 8.00 -1.26 -4.53 116.55 119.01 3duf n ASP 295 Ca 0.15 -2.26 -0.29 0.00 0.71 0.00 0.00 54.79 53.10 3duf n ASP 295 Cb 0.49 -1.10 -0.09 0.00 -0.02 0.00 0.00 41.12 40.39 3duf n ASP 295 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3duf s THR 296 N 1.53 1.35 0.72 -3.53 -4.23 -1.26 -5.05 115.64 105.16 3duf s THR 296 Ca 0.52 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 3duf s THR 296 Cb 0.24 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.59 3duf s THR 296 CO -0.00 0.00 1.15 -0.69 -0.54 0.00 0.00 174.62 174.54 3duf s VAL 297 N -2.92 2.75 -0.02 2.29 1.01 -1.26 -4.87 120.40 117.37 3duf s VAL 297 Ca 0.21 0.34 -0.35 0.00 0.00 0.00 0.00 61.98 62.18 3duf s VAL 297 Cb 0.05 -2.84 -0.13 0.00 0.00 0.00 0.00 36.38 33.46 3duf s VAL 297 CO 0.11 -0.22 1.73 0.00 0.00 0.00 0.00 175.10 176.71 3duf n TYR 298 N -2.75 2.21 -0.76 5.22 9.36 -1.26 -4.89 117.16 124.29 3duf n TYR 298 Ca 0.12 0.19 -0.33 0.00 3.32 0.00 0.00 57.90 61.20 3duf n TYR 298 Cb 0.51 -2.58 0.13 0.00 -0.63 0.00 0.00 39.34 36.78 3duf n TYR 298 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3duf n PRO 299 N 5.19 -0.63 -2.27 2.98 -0.04 -1.26 -4.97 135.00 134.00 3duf n PRO 299 Ca 0.21 -0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 3duf n PRO 299 Cb 0.26 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 3duf n PRO 299 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3duf s PHE 300 N -2.36 3.29 0.11 0.54 0.08 -1.26 -4.86 117.98 113.52 3duf s PHE 300 Ca 0.57 1.43 -0.09 0.00 0.12 0.00 0.00 56.93 58.96 3duf s PHE 300 Cb -0.19 -3.53 0.12 0.00 -0.57 0.00 0.00 43.02 38.85 3duf s PHE 300 CO 0.67 -1.46 0.77 0.00 -0.10 0.00 0.00 175.22 175.11 3duf n ALA 301 N 1.62 -0.07 0.24 5.36 0.00 -1.26 0.65 120.51 127.05 3duf n ALA 301 Ca 0.02 0.49 0.07 0.00 0.00 0.00 0.00 53.44 54.03 3duf n ALA 301 Cb 0.43 -0.22 0.61 0.00 0.00 0.00 0.00 19.45 20.28 3duf n ALA 301 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3duf h GLN 302 N 0.00 0.04 -0.20 0.00 1.08 -1.97 -2.45 115.11 111.62 3duf h GLN 302 Ca 0.17 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3duf h GLN 302 Cb 0.30 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3duf h GLN 302 CO -0.49 0.04 0.00 0.00 -0.95 0.00 0.00 178.83 177.43 3duf n ALA 303 N -2.53 2.48 -0.03 3.87 0.00 0.21 -4.27 120.51 120.23 3duf n ALA 303 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 3duf n ALA 303 Cb 0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 3duf n ALA 303 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3duf h GLU 304 N 1.05 0.23 -0.85 0.00 5.08 -1.48 -3.01 114.58 115.60 3duf h GLU 304 Ca 0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3duf h GLU 304 Cb 0.26 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3duf h GLU 304 CO 0.00 0.21 0.55 0.66 -1.00 0.00 0.00 179.01 179.43 3duf h SER 305 N 0.18 0.87 0.20 1.42 4.64 -1.84 0.13 113.55 119.15 3duf h SER 305 Ca 0.06 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3duf h SER 305 Cb 0.04 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3duf h SER 305 CO -0.01 0.58 -0.15 1.33 -0.87 0.00 0.00 176.83 177.71 3duf n VAL 306 N -4.47 0.00 -0.06 0.95 0.24 -1.22 -4.34 118.33 109.43 3duf n VAL 306 Ca 0.12 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 3duf n VAL 306 Cb 0.16 0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.75 3duf n VAL 306 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 3duf n TRP 307 N -0.55 0.00 -1.82 6.34 -0.00 -0.85 -5.03 117.44 115.53 3duf n TRP 307 Ca 0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.24 3duf n TRP 307 Cb 0.32 -0.45 -0.01 0.00 -0.00 0.00 0.00 31.31 31.18 3duf n TRP 307 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3duf s LEU 308 N -6.23 4.33 0.27 5.87 1.43 0.39 -4.66 118.68 120.09 3duf s LEU 308 Ca -0.17 3.00 -0.29 0.00 -1.03 0.00 0.00 54.13 55.64 3duf s LEU 308 Cb 0.06 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 3duf s LEU 308 CO 0.24 -0.86 1.23 -2.84 0.23 0.00 0.00 176.35 174.36 3duf s PRO 309 N -1.71 4.47 0.15 1.29 0.02 -1.26 -4.96 135.00 133.00 3duf s PRO 309 Ca 0.55 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.60 3duf s PRO 309 Cb -0.46 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 30.90 3duf s PRO 309 CO 0.59 -0.06 0.07 0.27 -0.33 0.00 0.00 177.00 177.54 3duf n ASN 310 N 1.49 0.69 -0.17 2.53 0.23 -1.26 -5.02 115.26 113.75 3duf n ASN 310 Ca 0.01 -1.83 0.05 0.00 -0.53 0.00 0.00 54.58 52.28 3duf n ASN 310 Cb 0.43 0.46 0.33 0.00 -2.08 0.00 0.00 39.78 38.92 3duf n ASN 310 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 3duf h PHE 311 N 1.30 0.79 -0.78 -2.53 -0.00 -1.97 -2.20 116.94 111.55 3duf h PHE 311 Ca -0.11 0.02 0.09 0.00 -0.00 0.00 0.00 57.97 57.96 3duf h PHE 311 Cb 0.46 -0.26 -0.05 0.00 -0.00 0.00 0.00 35.95 36.10 3duf h PHE 311 CO 0.00 0.45 0.51 0.87 -0.00 0.00 0.00 178.31 180.14 3duf h LYS 312 N 0.81 0.73 -0.11 6.09 1.57 -1.97 0.19 116.57 123.88 3duf h LYS 312 Ca 0.29 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 3duf h LYS 312 Cb 0.12 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3duf h LYS 312 CO -0.08 0.48 -0.38 -0.44 -0.57 0.00 0.00 179.45 178.45 3duf h ASP 313 N 0.75 0.53 0.24 0.86 3.32 -1.82 -0.99 116.42 119.31 3duf h ASP 313 Ca 0.35 -0.61 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3duf h ASP 313 Cb 0.39 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3duf h ASP 313 CO -0.13 1.05 -0.04 0.58 -1.72 0.00 0.00 179.24 178.99 3duf h VAL 314 N 0.04 0.29 0.01 -1.35 2.07 -1.01 -1.06 116.25 115.24 3duf h VAL 314 Ca -0.02 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3duf h VAL 314 Cb 1.01 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3duf h VAL 314 CO 0.08 0.04 -0.01 0.40 0.02 0.00 0.00 177.57 178.10 3duf h ILE 315 N 0.00 1.21 -0.95 4.57 1.08 -0.35 -2.81 117.51 120.26 3duf h ILE 315 Ca -0.00 -1.85 0.03 0.00 -0.39 0.00 0.00 64.86 62.64 3duf h ILE 315 Cb 0.17 2.27 -0.05 0.00 -3.07 0.00 0.00 36.82 36.13 3duf h ILE 315 CO 0.00 0.40 0.63 -0.08 -0.69 0.00 0.00 178.15 178.41 3duf h GLU 316 N -0.98 1.20 -0.02 2.37 4.81 -0.89 -2.22 114.58 118.85 3duf h GLU 316 Ca -0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 3duf h GLU 316 Cb 0.67 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3duf h GLU 316 CO 0.00 0.79 -0.62 1.15 -0.73 0.00 0.00 179.01 179.61 3duf h THR 317 N 1.24 1.43 -0.19 0.32 2.02 -1.33 -2.81 112.91 113.59 3duf h THR 317 Ca 0.37 -2.10 -0.18 0.00 0.77 0.00 0.00 66.41 65.27 3duf h THR 317 Cb -0.06 2.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3duf h THR 317 CO -0.10 0.60 -0.63 0.00 0.37 0.00 0.00 175.52 175.77 3duf h ALA 318 N 1.31 0.54 0.00 6.16 0.00 -1.17 -2.87 119.26 123.23 3duf h ALA 318 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3duf h ALA 318 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3duf h ALA 318 CO 0.09 0.70 0.00 1.63 0.00 0.00 0.00 179.25 181.66 3duf n LYS 319 N -3.95 0.06 0.03 0.00 5.02 -0.88 -1.94 118.16 116.51 3duf n LYS 319 Ca -0.05 0.10 -0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3duf n LYS 319 Cb 0.66 -1.58 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 3duf n LYS 319 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3duf h LYS 320 N 0.00 0.00 0.00 1.97 3.64 -1.36 -2.08 116.57 118.74 3duf h LYS 320 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3duf h LYS 320 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3duf h LYS 320 CO 0.00 0.29 -0.97 0.28 -2.27 0.00 0.00 179.45 176.78 3duf h VAL 321 N 0.00 0.13 0.17 2.00 2.07 -1.40 -3.08 116.25 116.14 3duf h VAL 321 Ca -0.16 -1.24 -0.30 0.00 0.82 0.00 0.00 66.70 65.82 3duf h VAL 321 Cb 1.58 1.69 0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3duf h VAL 321 CO 0.05 0.07 -1.43 0.24 0.02 0.00 0.00 177.57 176.52 3duf h MET 322 N 0.00 0.36 -0.85 1.57 2.86 -1.47 -3.31 114.93 114.08 3duf h MET 322 Ca -0.03 -0.61 -0.10 0.00 -2.06 0.00 0.00 59.70 56.89 3duf h MET 322 Cb 1.13 0.23 -0.06 0.00 0.06 0.00 0.00 31.60 32.96 3duf h MET 322 CO 0.01 1.29 0.12 0.09 1.06 0.00 0.00 176.91 179.49 3duf n ASN 323 N -3.82 3.51 0.00 1.22 3.02 -0.78 -5.08 115.26 113.33 3duf n ASN 323 Ca -0.22 -2.63 0.13 0.00 -0.03 0.00 0.00 54.58 51.84 3duf n ASN 323 Cb 0.98 -0.63 0.78 0.00 -0.61 0.00 0.00 39.78 40.30 3duf n ASN 323 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97