#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buf s LEU 3 N 0.00 3.01 0.00 3.22 0.20 -1.26 -5.10 118.68 118.76 2buf s LEU 3 Ca 0.00 -0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.58 2buf s LEU 3 Cb 0.00 -1.72 0.00 0.00 -0.43 0.00 0.00 46.19 44.04 2buf s LEU 3 CO 0.00 0.13 0.00 -1.20 -0.29 0.00 0.00 176.35 174.99 2buf n SER 4 N 3.75 0.00 0.00 3.68 7.64 -1.26 -4.83 113.62 122.60 2buf n SER 4 Ca -0.18 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.38 2buf n SER 4 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2buf n SER 4 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2buf n ARG 5 N 0.00 0.00 -0.40 1.43 3.00 -1.26 0.61 116.66 120.04 2buf n ARG 5 Ca 0.00 0.00 0.33 0.00 -0.01 0.00 0.00 57.85 58.17 2buf n ARG 5 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 32.46 33.00 2buf n ARG 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2buf n ASP 6 N 0.00 0.13 -0.06 0.55 9.92 -1.26 0.24 116.55 126.06 2buf n ASP 6 Ca 0.00 1.00 -0.14 0.00 -0.53 0.00 0.00 54.79 55.12 2buf n ASP 6 Cb 0.00 -0.49 -0.13 0.00 -0.64 0.00 0.00 41.12 39.86 2buf n ASP 6 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2buf h ASP 7 N 0.00 0.02 0.55 -2.24 1.82 -0.23 -3.40 116.42 112.94 2buf h ASP 7 Ca 0.68 -0.98 -0.11 0.00 -0.39 0.00 0.00 57.03 56.23 2buf h ASP 7 Cb 2.33 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 42.31 2buf h ASP 7 CO -0.28 1.00 -0.53 0.00 -1.61 0.00 0.00 179.24 177.81 2buf h ALA 8 N 0.02 1.11 0.57 -0.78 0.00 0.44 -2.97 119.26 117.65 2buf h ALA 8 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2buf h ALA 8 Cb 1.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2buf h ALA 8 CO 0.01 0.66 -0.28 0.00 0.00 0.00 0.00 179.25 179.64 2buf h ALA 9 N 1.47 -0.77 -0.91 0.00 0.00 -1.64 -1.39 119.26 116.02 2buf h ALA 9 Ca -0.01 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 54.98 2buf h ALA 9 Cb 0.95 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2buf h ALA 9 CO 0.07 -0.72 0.63 -0.56 0.00 0.00 0.00 179.25 178.68 2buf h GLN 10 N -1.21 0.14 -0.40 0.00 -0.00 -1.76 -0.77 115.11 111.10 2buf h GLN 10 Ca -0.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2buf h GLN 10 Cb 0.59 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 28.02 2buf h GLN 10 CO 0.13 0.09 0.19 0.28 -0.00 0.00 0.00 178.83 179.52 2buf h VAL 11 N 0.14 1.17 -0.00 1.86 2.07 -1.30 -2.61 116.25 117.58 2buf h VAL 11 Ca 0.45 -0.49 -0.15 0.00 0.82 0.00 0.00 66.70 67.33 2buf h VAL 11 Cb 1.54 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2buf h VAL 11 CO -0.08 0.19 -0.69 0.00 0.02 0.00 0.00 177.57 177.01 2buf h ALA 12 N 1.04 0.85 -0.33 1.67 0.00 -0.05 -1.28 119.26 121.16 2buf h ALA 12 Ca 0.14 -0.63 0.08 0.00 0.00 0.00 0.00 54.91 54.51 2buf h ALA 12 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2buf h ALA 12 CO -0.02 0.86 0.23 -0.22 0.00 0.00 0.00 179.25 180.10 2buf h LYS 13 N 0.01 0.06 0.00 0.00 3.11 -1.01 -0.03 116.57 118.71 2buf h LYS 13 Ca -0.01 -0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.69 2buf h LYS 13 Cb 1.23 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.42 2buf h LYS 13 CO 0.09 0.04 -1.06 0.28 -2.81 0.00 0.00 179.45 175.99 2buf n VAL 14 N -4.45 1.48 -0.32 2.00 0.31 -1.01 -3.76 118.33 112.58 2buf n VAL 14 Ca 0.05 0.05 0.18 0.00 -0.01 0.00 0.00 64.34 64.61 2buf n VAL 14 Cb 0.37 -2.20 0.36 0.00 -0.91 0.00 0.00 33.84 31.45 2buf n VAL 14 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2buf h LEU 15 N -1.00 0.05 -1.38 7.52 3.38 -1.09 1.35 115.31 124.14 2buf h LEU 15 Ca -0.21 0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2buf h LEU 15 Cb 0.97 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2buf h LEU 15 CO -0.12 -0.22 -0.26 0.77 0.09 0.00 0.00 178.44 178.70 2buf h SER 16 N 0.17 0.00 0.71 -0.43 4.64 -1.19 -2.30 113.55 115.15 2buf h SER 16 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 2buf h SER 16 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2buf h SER 16 CO -0.71 0.26 -0.49 1.21 -0.87 0.00 0.00 176.83 176.23 2buf n GLU 17 N -3.67 0.12 0.01 4.77 2.13 0.45 -3.29 120.64 121.16 2buf n GLU 17 Ca -0.01 0.04 -0.09 0.00 0.66 0.00 0.00 57.16 57.75 2buf n GLU 17 Cb 0.38 -1.58 -0.14 0.00 0.27 0.00 0.00 31.44 30.37 2buf n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2buf h ALA 18 N 2.80 0.62 -0.93 4.31 0.00 -0.80 -3.37 119.26 121.89 2buf h ALA 18 Ca 0.00 -1.29 0.26 0.00 0.00 0.00 0.00 54.91 53.88 2buf h ALA 18 Cb 0.60 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 18.54 2buf h ALA 18 CO 0.00 1.46 0.15 1.25 0.00 0.00 0.00 179.25 182.11 2buf h LEU 19 N 0.01 -0.22 -0.02 0.00 5.85 -1.41 0.53 115.31 120.04 2buf h LEU 19 Ca -0.21 0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2buf h LEU 19 Cb 1.95 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 43.32 2buf h LEU 19 CO 0.10 -0.28 -0.21 -0.65 -0.34 0.00 0.00 178.44 177.06 2buf h PRO 20 N 0.09 -0.31 -0.36 5.25 0.11 -1.75 -0.32 132.00 134.71 2buf h PRO 20 Ca 0.59 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.78 2buf h PRO 20 Cb 1.24 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.37 2buf h PRO 20 CO -0.79 -0.21 0.05 1.88 -0.21 0.00 0.00 178.00 178.72 2buf h TYR 21 N -0.32 0.08 -0.12 0.65 0.99 -0.36 -2.30 116.97 115.58 2buf h TYR 21 Ca 0.07 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.87 2buf h TYR 21 Cb 0.41 0.02 -0.06 0.00 1.00 0.00 0.00 36.73 38.10 2buf h TYR 21 CO -0.26 -0.01 -0.23 0.82 -0.00 0.00 0.00 178.16 178.48 2buf h ILE 22 N 0.17 0.44 -1.17 -2.88 2.04 -0.16 -2.71 117.51 113.24 2buf h ILE 22 Ca 0.17 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.44 2buf h ILE 22 Cb 0.21 0.44 -0.15 0.00 -0.74 0.00 0.00 36.82 36.58 2buf h ILE 22 CO -0.24 0.00 0.71 0.03 0.00 0.00 0.00 178.15 178.65 2buf h ARG 23 N -0.29 0.10 0.00 2.37 3.08 -0.47 -0.24 114.38 118.92 2buf h ARG 23 Ca 0.10 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2buf h ARG 23 Cb 0.44 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2buf h ARG 23 CO -0.29 0.06 -0.03 0.07 -1.07 0.00 0.00 179.97 178.71 2buf h ARG 24 N 0.10 0.00 -0.01 0.04 0.11 -1.45 -2.88 114.38 110.29 2buf h ARG 24 Ca 0.82 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.90 2buf h ARG 24 Cb 2.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.41 2buf h ARG 24 CO -0.56 0.03 -0.43 1.19 0.10 0.00 0.00 179.97 180.30 2buf n PHE 25 N -3.63 0.00 -1.89 4.08 3.01 -0.10 -4.80 117.46 114.13 2buf n PHE 25 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 2buf n PHE 25 Cb 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 2buf n PHE 25 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2buf s VAL 26 N -2.16 2.57 0.00 -4.37 1.01 -1.09 -0.46 120.40 115.90 2buf s VAL 26 Ca 0.14 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2buf s VAL 26 Cb 0.15 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2buf s VAL 26 CO 0.49 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2buf n GLY 27 N 3.85 2.98 3.93 4.51 0.00 -0.79 -5.01 105.19 114.65 2buf n GLY 27 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2buf n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2buf s LYS 28 N -0.32 3.34 0.01 1.61 -0.14 0.39 -4.87 119.74 119.76 2buf s LYS 28 Ca 0.00 -0.11 0.04 0.00 -1.36 0.00 0.00 55.97 54.53 2buf s LYS 28 Cb 0.00 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.64 2buf s LYS 28 CO 0.00 -0.19 -0.07 0.95 -0.76 0.00 0.00 175.35 175.28 2buf s THR 29 N -2.63 3.61 -0.04 2.17 -4.23 -1.26 -2.18 115.64 111.08 2buf s THR 29 Ca 0.46 -0.82 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2buf s THR 29 Cb -0.10 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 2buf s THR 29 CO 0.41 0.37 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.87 2buf s LEU 30 N -1.49 2.03 -0.19 4.79 1.43 0.13 -1.43 118.68 123.95 2buf s LEU 30 Ca 0.17 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2buf s LEU 30 Cb -0.11 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2buf s LEU 30 CO 0.08 0.24 0.05 -0.69 0.23 0.00 0.00 176.35 176.27 2buf s VAL 31 N -0.25 4.67 -0.10 -1.59 1.01 -0.87 -0.76 120.40 122.50 2buf s VAL 31 Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2buf s VAL 31 Cb -0.12 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2buf s VAL 31 CO 0.02 0.45 -0.23 -0.63 0.00 0.00 0.00 175.10 174.71 2buf s ILE 32 N 0.50 1.99 -0.42 2.22 1.01 0.17 -0.73 121.20 125.93 2buf s ILE 32 Ca 0.03 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.57 2buf s ILE 32 Cb -0.13 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.66 2buf s ILE 32 CO 0.01 0.54 0.31 -0.75 0.00 0.00 0.00 174.94 175.05 2buf s LYS 33 N 0.40 2.90 0.46 2.79 2.36 -0.57 -0.64 119.74 127.44 2buf s LYS 33 Ca -0.18 -1.19 0.02 0.00 -2.55 0.00 0.00 55.97 52.07 2buf s LYS 33 Cb -0.18 -3.96 0.09 0.00 -1.05 0.00 0.00 37.83 32.73 2buf s LYS 33 CO 0.08 -0.85 0.63 0.98 1.55 0.00 0.00 175.35 177.74 2buf n TYR 34 N 5.11 -2.93 0.00 4.03 9.36 -0.10 -2.30 117.16 130.33 2buf n TYR 34 Ca -0.12 -1.24 0.00 0.00 3.32 0.00 0.00 57.90 59.86 2buf n TYR 34 Cb 0.45 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2buf n TYR 34 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2buf n GLY 35 N -0.01 2.98 0.00 2.98 0.00 -1.26 -3.48 105.19 106.39 2buf n GLY 35 Ca 0.11 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2buf n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2buf n GLY 36 N -0.08 1.18 0.14 -0.02 0.00 -1.26 -4.82 105.19 100.32 2buf n GLY 36 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 2buf n GLY 36 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2buf h ASN 37 N 0.00 0.63 0.00 1.61 2.35 -1.99 -3.39 115.58 114.79 2buf h ASN 37 Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 2buf h ASN 37 Cb 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.16 2buf h ASN 37 CO 0.00 1.64 0.00 0.00 -1.65 0.00 0.00 177.43 177.42 2buf n ALA 38 N -2.79 2.04 -0.34 -0.83 0.00 -1.26 -4.48 120.51 112.85 2buf n ALA 38 Ca -0.19 -0.54 0.07 0.00 0.00 0.00 0.00 53.44 52.77 2buf n ALA 38 Cb 1.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.76 2buf n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2buf n MET 39 N -0.10 3.66 -2.65 0.00 0.00 -1.26 -4.68 117.12 112.08 2buf n MET 39 Ca 0.00 -2.41 -0.43 0.00 0.00 0.00 0.00 57.70 54.86 2buf n MET 39 Cb 0.10 -1.94 0.00 0.00 0.00 0.00 0.00 33.22 31.38 2buf n MET 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2buf n GLU 40 N 0.69 3.49 -4.33 3.17 -0.58 -1.26 -4.50 120.64 117.32 2buf n GLU 40 Ca 0.21 -3.69 -0.18 0.00 -0.42 0.00 0.00 57.16 53.09 2buf n GLU 40 Cb 0.87 -2.99 -0.10 0.00 -0.57 0.00 0.00 31.44 28.65 2buf n GLU 40 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2buf s SER 41 N 1.90 2.39 0.12 1.62 0.15 -1.26 -5.04 113.70 113.58 2buf s SER 41 Ca 0.41 -1.03 -0.17 0.00 0.70 0.00 0.00 55.95 55.86 2buf s SER 41 Cb 0.03 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 2buf s SER 41 CO 0.00 -0.22 1.67 -0.08 1.20 0.00 0.00 173.24 175.82 2buf h GLU 42 N 2.59 0.51 0.00 5.44 4.57 -1.99 -3.10 114.58 122.61 2buf h GLU 42 Ca -0.38 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2buf h GLU 42 Cb 1.21 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2buf h GLU 42 CO 0.63 0.50 -0.08 1.49 -1.18 0.00 0.00 179.01 180.37 2buf h GLU 43 N 0.41 0.00 -0.01 1.92 4.81 -1.96 -1.63 114.58 118.11 2buf h GLU 43 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2buf h GLU 43 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2buf h GLU 43 CO -0.01 0.00 -0.52 -0.11 -0.73 0.00 0.00 179.01 177.64 2buf n LEU 44 N -2.36 1.78 -0.06 1.64 0.00 -1.23 -2.91 117.00 113.86 2buf n LEU 44 Ca 0.05 -0.66 -0.20 0.00 0.00 0.00 0.00 56.01 55.20 2buf n LEU 44 Cb 0.45 -0.02 -0.13 0.00 0.00 0.00 0.00 43.42 43.72 2buf n LEU 44 CO 0.32 0.34 -1.08 1.17 0.00 0.00 0.00 177.39 178.14 2buf n LYS 45 N -0.29 0.71 -0.01 1.96 3.00 -1.17 -2.99 118.16 119.36 2buf n LYS 45 Ca 0.09 0.21 -0.18 0.00 -0.00 0.00 0.00 58.31 58.43 2buf n LYS 45 Cb 0.44 -1.62 -0.08 0.00 0.00 0.00 0.00 35.03 33.78 2buf n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2buf h ALA 46 N 0.05 0.28 0.18 3.14 0.00 -1.42 -3.00 119.26 118.49 2buf h ALA 46 Ca -0.50 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 53.81 2buf h ALA 46 Cb 1.97 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 2buf h ALA 46 CO 0.00 0.68 -0.26 0.78 0.00 0.00 0.00 179.25 180.46 2buf h GLY 47 N 0.54 -0.52 0.21 0.00 0.00 -1.70 -1.86 103.07 99.73 2buf h GLY 47 Ca -0.06 0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.64 2buf h GLY 47 CO 0.17 -0.23 -0.10 -2.75 0.00 0.00 0.00 176.54 173.63 2buf h PHE 48 N -0.50 -0.22 -0.82 5.60 3.57 -1.59 -0.58 116.94 122.40 2buf h PHE 48 Ca 0.01 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.71 2buf h PHE 48 Cb 0.50 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 2buf h PHE 48 CO -0.21 -0.17 0.54 0.00 -2.23 0.00 0.00 178.31 176.24 2buf h ALA 49 N 1.38 2.10 -0.15 2.41 0.00 -1.33 -0.77 119.26 122.90 2buf h ALA 49 Ca 0.19 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2buf h ALA 49 Cb 0.29 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2buf h ALA 49 CO -0.40 -0.34 -0.54 0.00 0.00 0.00 0.00 179.25 177.97 2buf h ARG 50 N 0.45 0.64 -0.95 0.00 3.08 -0.31 -2.82 114.38 114.47 2buf h ARG 50 Ca 0.41 -0.48 0.12 0.00 0.07 0.00 0.00 59.98 60.10 2buf h ARG 50 Cb 0.93 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.99 2buf h ARG 50 CO -0.15 1.10 0.60 -0.44 -1.07 0.00 0.00 179.97 180.01 2buf h ASP 51 N 0.30 0.83 -0.20 7.04 3.32 -0.29 0.90 116.42 128.32 2buf h ASP 51 Ca -0.02 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2buf h ASP 51 Cb 1.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2buf h ASP 51 CO 0.11 0.45 -0.02 0.58 -1.72 0.00 0.00 179.24 178.65 2buf h VAL 52 N 0.90 1.27 -0.15 -1.35 2.07 -1.38 -0.70 116.25 116.91 2buf h VAL 52 Ca 0.46 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2buf h VAL 52 Cb 0.51 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2buf h VAL 52 CO -0.22 0.29 0.02 0.58 0.02 0.00 0.00 177.57 178.26 2buf h VAL 53 N 0.12 0.93 -0.96 2.57 2.07 -1.09 -1.35 116.25 118.53 2buf h VAL 53 Ca 0.06 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.65 2buf h VAL 53 Cb 0.44 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 2buf h VAL 53 CO 0.01 0.02 0.61 0.25 0.02 0.00 0.00 177.57 178.48 2buf h LEU 54 N 0.09 0.88 -1.27 2.57 5.85 -0.63 0.50 115.31 123.29 2buf h LEU 54 Ca 0.07 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2buf h LEU 54 Cb 0.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2buf h LEU 54 CO -0.09 0.50 -0.05 0.24 -0.34 0.00 0.00 178.44 178.70 2buf h MET 55 N 0.97 0.43 0.70 1.25 2.86 -0.45 0.15 114.93 120.85 2buf h MET 55 Ca 0.46 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.97 2buf h MET 55 Cb 0.43 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.04 2buf h MET 55 CO -0.22 0.50 -0.34 -0.22 1.06 0.00 0.00 176.91 177.70 2buf h LYS 56 N 0.42 -0.91 -0.34 1.72 1.63 0.96 1.20 116.57 121.24 2buf h LYS 56 Ca 0.09 0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.02 2buf h LYS 56 Cb 0.35 0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 32.11 2buf h LYS 56 CO 0.01 -0.58 -0.16 0.00 -3.45 0.00 0.00 179.45 175.27 2buf h ALA 57 N -0.88 0.10 0.00 5.00 0.00 -0.53 0.11 119.26 123.06 2buf h ALA 57 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2buf h ALA 57 Cb 0.75 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2buf h ALA 57 CO 0.16 -0.54 0.00 0.28 0.00 0.00 0.00 179.25 179.15 2buf n VAL 58 N -5.34 0.00 -0.52 0.00 0.31 0.02 -4.80 118.33 108.00 2buf n VAL 58 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2buf n VAL 58 Cb 0.25 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2buf n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2buf n GLY 59 N -0.03 0.70 3.95 2.92 0.00 0.37 -4.82 105.19 108.28 2buf n GLY 59 Ca 0.04 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 2buf n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2buf s ILE 60 N -2.00 5.29 -0.53 -0.61 1.01 0.41 -1.89 121.20 122.88 2buf s ILE 60 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 2buf s ILE 60 Cb 0.00 -3.77 0.14 0.00 0.01 0.00 0.00 42.46 38.84 2buf s ILE 60 CO 0.00 -0.17 0.39 0.20 0.00 0.00 0.00 174.94 175.36 2buf s ASN 61 N -3.42 5.63 0.07 3.58 0.01 -0.93 -3.68 114.94 116.21 2buf s ASN 61 Ca 0.35 -2.22 -0.21 0.00 -0.71 0.00 0.00 52.86 50.06 2buf s ASN 61 Cb -0.11 -1.97 -0.06 0.00 0.41 0.00 0.00 41.25 39.52 2buf s ASN 61 CO 0.29 -0.58 0.63 -2.16 -1.51 0.00 0.00 177.10 173.77 2buf s PRO 62 N 0.88 4.33 -0.09 -0.60 0.04 -1.26 0.18 135.00 138.48 2buf s PRO 62 Ca 0.10 0.85 0.01 0.00 0.04 0.00 0.00 61.00 61.99 2buf s PRO 62 Cb -0.23 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.05 2buf s PRO 62 CO -0.03 0.52 -0.09 0.08 0.04 0.00 0.00 177.00 177.52 2buf s VAL 63 N -0.78 1.05 -0.29 -0.36 1.01 0.06 -4.18 120.40 116.91 2buf s VAL 63 Ca 0.32 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2buf s VAL 63 Cb -0.20 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.18 2buf s VAL 63 CO 0.20 0.36 0.05 -0.69 0.00 0.00 0.00 175.10 175.01 2buf s VAL 64 N 1.23 3.68 -0.11 2.92 1.01 0.18 0.41 120.40 129.72 2buf s VAL 64 Ca -0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2buf s VAL 64 Cb -0.14 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2buf s VAL 64 CO -0.03 0.09 0.06 -0.69 0.00 0.00 0.00 175.10 174.53 2buf s VAL 65 N 1.45 4.79 0.30 2.92 1.01 0.19 0.16 120.40 131.22 2buf s VAL 65 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2buf s VAL 65 Cb -0.17 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2buf s VAL 65 CO 0.01 0.59 0.15 -1.38 0.00 0.00 0.00 175.10 174.48 2buf s HIS 66 N -0.78 1.59 0.00 5.22 -3.43 -0.41 -0.93 115.29 116.55 2buf s HIS 66 Ca 0.13 -1.36 0.00 0.00 -0.80 0.00 0.00 55.06 53.03 2buf s HIS 66 Cb -0.12 -0.85 0.00 0.00 -1.43 0.00 0.00 32.58 30.18 2buf s HIS 66 CO 0.03 -0.51 0.00 0.41 -2.00 0.00 0.00 174.74 172.66 2buf n GLY 67 N -0.57 4.50 0.00 -1.38 0.00 -1.23 -3.86 105.19 102.66 2buf n GLY 67 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2buf n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2buf n GLY 68 N 1.75 -0.19 0.34 -0.02 0.00 -1.26 -4.88 105.19 100.93 2buf n GLY 68 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 2buf n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2buf h GLY 69 N 0.00 1.18 0.78 -0.02 0.00 -1.99 -2.87 103.07 100.15 2buf h GLY 69 Ca 0.00 -0.62 0.11 0.00 0.00 0.00 0.00 47.33 46.82 2buf h GLY 69 CO 0.00 0.59 0.51 -2.55 0.00 0.00 0.00 176.54 175.09 2buf h PRO 70 N 1.08 0.62 0.04 4.80 0.11 -1.96 0.32 132.00 137.01 2buf h PRO 70 Ca 0.25 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 66.07 2buf h PRO 70 Cb 0.19 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.17 2buf h PRO 70 CO -0.02 0.41 -1.06 1.96 -0.21 0.00 0.00 178.00 179.08 2buf h GLN 71 N 0.64 0.51 0.03 1.05 1.08 -1.92 -2.79 115.11 113.71 2buf h GLN 71 Ca 0.37 -0.60 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2buf h GLN 71 Cb 0.57 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2buf h GLN 71 CO -0.14 1.22 -0.03 0.82 -0.95 0.00 0.00 178.83 179.75 2buf h ILE 72 N 0.26 0.00 -1.03 2.54 2.04 -1.03 -2.02 117.51 118.27 2buf h ILE 72 Ca -0.12 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.00 2buf h ILE 72 Cb 1.72 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 2buf h ILE 72 CO 0.19 0.00 0.67 1.23 0.00 0.00 0.00 178.15 180.24 2buf h GLY 73 N -0.07 1.05 0.81 5.37 0.00 -0.51 0.66 103.07 110.38 2buf h GLY 73 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2buf h GLY 73 CO -0.01 -0.10 -0.07 -0.55 0.00 0.00 0.00 176.54 175.81 2buf h ASP 74 N 0.36 0.42 0.87 0.19 3.32 -1.36 0.43 116.42 120.65 2buf h ASP 74 Ca 0.57 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 2buf h ASP 74 Cb 1.51 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.93 2buf h ASP 74 CO -0.25 0.71 -0.59 0.25 -1.72 0.00 0.00 179.24 177.64 2buf h LEU 75 N 0.12 0.00 0.31 1.55 5.85 -0.54 -3.17 115.31 119.43 2buf h LEU 75 Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2buf h LEU 75 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2buf h LEU 75 CO 0.02 0.59 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.50 2buf h LEU 76 N 0.00 -0.35 -1.12 2.25 3.38 0.47 -3.10 115.31 116.85 2buf h LEU 76 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2buf h LEU 76 Cb 1.19 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2buf h LEU 76 CO 0.08 0.12 0.14 1.17 0.09 0.00 0.00 178.44 180.04 2buf n LYS 77 N -5.05 0.11 0.19 1.13 3.00 0.15 -1.74 118.16 115.95 2buf n LYS 77 Ca -0.06 0.60 -0.08 0.00 -0.00 0.00 0.00 58.31 58.76 2buf n LYS 77 Cb 0.21 -2.01 -0.04 0.00 0.00 0.00 0.00 35.03 33.19 2buf n LYS 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2buf h ARG 78 N 0.00 -0.52 -0.03 1.64 -0.00 -1.50 -3.31 114.38 110.66 2buf h ARG 78 Ca 0.00 0.04 -0.16 0.00 -0.50 0.00 0.00 59.98 59.35 2buf h ARG 78 Cb 0.29 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.36 2buf h ARG 78 CO 0.00 -0.35 -0.71 1.25 0.00 0.00 0.00 179.97 180.16 2buf h LEU 79 N -1.03 0.22 -2.98 3.04 5.85 -1.60 -3.49 115.31 115.32 2buf h LEU 79 Ca -0.06 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2buf h LEU 79 Cb 0.41 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2buf h LEU 79 CO 0.09 0.86 0.00 -0.24 -0.34 0.00 0.00 178.44 178.81 2buf n SER 80 N -3.78 -1.99 -4.53 1.25 2.88 -0.71 -5.16 113.62 101.58 2buf n SER 80 Ca -0.03 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.26 2buf n SER 80 Cb 0.69 -0.99 -0.10 0.00 -0.75 0.00 0.00 64.21 63.05 2buf n SER 80 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2buf s ILE 81 N 0.00 1.51 -0.21 2.46 1.01 -1.25 -5.06 121.20 119.66 2buf s ILE 81 Ca 0.00 -2.00 -0.11 0.00 0.00 0.00 0.00 60.65 58.54 2buf s ILE 81 Cb 0.00 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 2buf s ILE 81 CO 0.00 0.00 0.17 -1.61 0.00 0.00 0.00 174.94 173.50 2buf s GLU 82 N -3.80 4.15 -0.41 2.79 8.01 -1.26 -4.80 118.70 123.39 2buf s GLU 82 Ca 0.33 -0.18 0.04 0.00 0.01 0.00 0.00 54.97 55.16 2buf s GLU 82 Cb 0.08 -3.47 0.11 0.00 -4.31 0.00 0.00 34.13 26.55 2buf s GLU 82 CO 0.16 0.19 0.14 0.45 0.01 0.00 0.00 175.26 176.20 2buf s SER 83 N 0.66 4.50 -0.02 -0.19 0.15 -1.26 -4.96 113.70 112.57 2buf s SER 83 Ca 0.09 -2.45 0.06 0.00 0.70 0.00 0.00 55.95 54.35 2buf s SER 83 Cb -0.12 -1.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 2buf s SER 83 CO 0.01 -0.32 -0.21 -1.38 1.20 0.00 0.00 173.24 172.55 2buf s HIS 84 N 0.50 1.89 0.35 3.44 -3.43 -1.26 -5.06 115.29 111.71 2buf s HIS 84 Ca 0.13 -0.41 0.04 0.00 -0.80 0.00 0.00 55.06 54.02 2buf s HIS 84 Cb -0.22 -1.23 -0.02 0.00 -1.43 0.00 0.00 32.58 29.69 2buf s HIS 84 CO -0.06 -0.07 0.51 -0.06 -2.00 0.00 0.00 174.74 173.06 2buf s PHE 85 N -0.36 3.27 -0.20 0.38 0.40 -1.26 -2.97 117.98 117.24 2buf s PHE 85 Ca 0.05 0.03 -0.05 0.00 -0.60 0.00 0.00 56.93 56.36 2buf s PHE 85 Cb -0.09 -1.98 0.07 0.00 0.51 0.00 0.00 43.02 41.53 2buf s PHE 85 CO 0.00 0.01 0.10 -1.50 0.70 0.00 0.00 175.22 174.53 2buf s ILE 86 N -2.26 -0.08 -1.86 0.64 1.10 -0.19 -4.86 121.20 113.70 2buf s ILE 86 Ca 0.43 -0.33 0.00 0.00 -0.51 0.00 0.00 60.65 60.24 2buf s ILE 86 Cb -0.10 -0.69 0.00 0.00 0.15 0.00 0.00 42.46 41.83 2buf s ILE 86 CO 0.33 -0.41 0.00 -0.67 -2.11 0.00 0.00 174.94 172.09 2buf n ASP 87 N 5.27 -5.82 0.00 4.50 -0.08 -1.26 -3.32 116.55 115.84 2buf n ASP 87 Ca -0.07 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 2buf n ASP 87 Cb 0.47 -4.88 0.00 0.00 2.34 0.00 0.00 41.12 39.05 2buf n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2buf n GLY 88 N -0.91 3.09 3.93 0.27 0.00 -1.25 -4.73 105.19 105.58 2buf n GLY 88 Ca -0.24 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 2buf n GLY 88 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2buf s MET 89 N 0.00 3.53 0.34 1.61 -1.94 -1.21 -4.73 119.30 116.90 2buf s MET 89 Ca 0.00 -0.29 0.07 0.00 -1.71 0.00 0.00 55.69 53.76 2buf s MET 89 Cb 0.00 -2.78 -0.02 0.00 2.01 0.00 0.00 34.83 34.04 2buf s MET 89 CO 0.00 0.34 0.36 -0.98 -0.01 0.00 0.00 175.02 174.73 2buf s ARG 90 N -3.51 2.87 -0.22 2.03 1.70 -1.26 -1.02 118.95 119.54 2buf s ARG 90 Ca 0.39 -1.20 -0.17 0.00 -0.47 0.00 0.00 55.73 54.28 2buf s ARG 90 Cb -0.11 -2.60 -0.03 0.00 -0.57 0.00 0.00 34.95 31.64 2buf s ARG 90 CO 0.30 0.07 0.47 0.08 -1.08 0.00 0.00 175.30 175.14 2buf s VAL 91 N -2.26 5.13 0.20 4.99 1.01 -1.16 -4.82 120.40 123.49 2buf s VAL 91 Ca 0.43 0.83 0.10 0.00 0.00 0.00 0.00 61.98 63.34 2buf s VAL 91 Cb -0.07 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2buf s VAL 91 CO 0.28 0.18 -0.12 0.42 0.00 0.00 0.00 175.10 175.86 2buf s THR 92 N 1.73 2.99 0.12 3.92 -4.23 -1.19 -4.81 115.64 114.16 2buf s THR 92 Ca 0.21 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2buf s THR 92 Cb -0.15 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 2buf s THR 92 CO 0.09 -0.16 0.04 1.51 -0.54 0.00 0.00 174.62 175.56 2buf s ASP 93 N -2.94 0.35 0.15 3.99 3.84 -1.26 -3.54 116.67 117.25 2buf s ASP 93 Ca 0.25 -1.18 -0.07 0.00 -0.00 0.00 0.00 52.55 51.55 2buf s ASP 93 Cb -0.08 0.28 0.20 0.00 -1.38 0.00 0.00 42.92 41.94 2buf s ASP 93 CO 0.15 -0.71 0.90 0.00 -0.00 0.00 0.00 175.17 175.51 2buf n ALA 94 N -0.07 0.03 -0.74 2.11 0.00 -1.26 -0.83 120.51 119.76 2buf n ALA 94 Ca -0.07 0.61 0.09 0.00 0.00 0.00 0.00 53.44 54.06 2buf n ALA 94 Cb 0.63 -0.32 0.37 0.00 0.00 0.00 0.00 19.45 20.13 2buf n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2buf n ALA 95 N -3.74 3.34 -0.07 0.00 0.00 -1.26 -0.25 120.51 118.54 2buf n ALA 95 Ca 0.08 -1.75 -0.07 0.00 0.00 0.00 0.00 53.44 51.70 2buf n ALA 95 Cb 0.26 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 2buf n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2buf n THR 96 N 0.87 0.87 -0.04 0.00 -2.24 -0.01 -3.44 114.28 110.30 2buf n THR 96 Ca 0.26 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 2buf n THR 96 Cb 0.99 -0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 68.34 2buf n THR 96 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2buf h MET 97 N 0.00 -0.01 0.00 -0.78 -1.53 -1.12 2.01 114.93 113.51 2buf h MET 97 Ca -0.34 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.92 2buf h MET 97 Cb 1.72 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.77 2buf h MET 97 CO -0.00 0.74 0.00 -3.47 0.14 0.00 0.00 176.91 174.32 2buf n ASP 98 N -4.73 0.44 -0.10 1.39 -0.08 0.65 0.39 116.55 114.51 2buf n ASP 98 Ca -0.09 0.65 -0.21 0.00 -1.51 0.00 0.00 54.79 53.63 2buf n ASP 98 Cb 0.37 -0.73 -0.10 0.00 2.34 0.00 0.00 41.12 43.00 2buf n ASP 98 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2buf n VAL 99 N -2.03 1.52 -0.08 5.18 0.31 -1.11 -3.95 118.33 118.17 2buf n VAL 99 Ca 0.01 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 2buf n VAL 99 Cb 0.13 -2.07 -0.06 0.00 -0.91 0.00 0.00 33.84 30.93 2buf n VAL 99 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2buf h VAL 100 N -1.00 0.10 -0.66 2.52 2.07 0.43 -1.77 116.25 117.95 2buf h VAL 100 Ca -0.35 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.31 2buf h VAL 100 Cb 1.24 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 2buf h VAL 100 CO -0.21 0.00 -0.01 -0.08 0.02 0.00 0.00 177.57 177.28 2buf h GLU 101 N -0.40 0.10 -0.28 1.57 4.81 -0.27 0.33 114.58 120.43 2buf h GLU 101 Ca 0.10 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 2buf h GLU 101 Cb 0.61 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 2buf h GLU 101 CO -0.51 0.07 -0.25 0.00 -0.73 0.00 0.00 179.01 177.58 2buf h MET 102 N 0.10 0.67 -0.10 1.92 -0.00 -1.58 -2.54 114.93 113.40 2buf h MET 102 Ca 0.35 -0.34 -0.03 0.00 -0.00 0.00 0.00 59.70 59.68 2buf h MET 102 Cb 0.57 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.18 2buf h MET 102 CO -0.58 0.95 -0.04 0.28 -0.00 0.00 0.00 176.91 177.52 2buf h VAL 103 N 0.40 1.31 0.00 -0.10 2.07 -0.94 -1.45 116.25 117.55 2buf h VAL 103 Ca 0.05 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2buf h VAL 103 Cb 0.81 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2buf h VAL 103 CO 0.06 0.29 0.00 -0.07 0.02 0.00 0.00 177.57 177.88 2buf h LEU 104 N -0.15 0.00 0.00 2.57 3.38 -1.01 -2.56 115.31 117.54 2buf h LEU 104 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2buf h LEU 104 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2buf h LEU 104 CO 0.01 0.00 -0.41 0.61 0.09 0.00 0.00 178.44 178.74 2buf n GLY 105 N -0.42 0.40 0.00 0.83 0.00 -0.96 -3.12 105.19 101.92 2buf n GLY 105 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2buf n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2buf n GLY 106 N 1.31 1.32 1.99 -0.02 0.00 -0.55 -4.51 105.19 104.74 2buf n GLY 106 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2buf n GLY 106 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2buf n GLN 107 N -0.35 0.00 0.33 1.61 7.27 -1.16 -4.84 117.38 120.24 2buf n GLN 107 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 2buf n GLN 107 Cb 0.30 -0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.89 2buf n GLN 107 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2buf h VAL 108 N 0.00 0.00 -0.78 1.69 2.07 -1.70 0.96 116.25 118.49 2buf h VAL 108 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2buf h VAL 108 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 2buf h VAL 108 CO 0.00 0.00 0.46 -1.13 0.02 0.00 0.00 177.57 176.92 2buf h ASN 109 N -0.84 0.71 -0.37 0.57 -0.73 -1.77 -1.67 115.58 111.46 2buf h ASN 109 Ca -0.08 0.03 -0.15 0.00 1.87 0.00 0.00 56.30 57.96 2buf h ASN 109 Cb 0.65 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 2buf h ASN 109 CO 0.13 0.45 -0.34 0.11 -0.37 0.00 0.00 177.43 177.40 2buf h LYS 110 N 0.84 0.89 -0.36 6.67 1.79 -1.79 -2.34 116.57 122.27 2buf h LYS 110 Ca 0.35 -0.46 0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2buf h LYS 110 Cb 0.21 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 2buf h LYS 110 CO -0.19 1.11 0.15 0.22 -1.08 0.00 0.00 179.45 179.66 2buf h ASP 111 N 0.70 0.19 -0.38 0.86 1.82 -0.21 0.75 116.42 120.16 2buf h ASP 111 Ca 0.06 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.78 2buf h ASP 111 Cb 0.93 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.90 2buf h ASP 111 CO 0.09 0.15 0.14 0.40 -1.61 0.00 0.00 179.24 178.41 2buf h ILE 112 N 0.32 0.89 -0.49 2.25 2.04 -1.28 -2.33 117.51 118.92 2buf h ILE 112 Ca 0.16 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 66.00 2buf h ILE 112 Cb 0.10 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 2buf h ILE 112 CO -0.14 0.05 0.07 0.58 0.00 0.00 0.00 178.15 178.72 2buf h VAL 113 N 0.30 0.70 -0.02 1.67 2.07 -0.61 -1.79 116.25 118.57 2buf h VAL 113 Ca 0.17 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2buf h VAL 113 Cb 0.15 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2buf h VAL 113 CO -0.17 0.04 -0.36 -1.13 0.02 0.00 0.00 177.57 175.96 2buf h ASN 114 N 0.20 -1.09 0.53 0.57 -1.24 -0.37 -1.84 115.58 112.34 2buf h ASN 114 Ca 0.25 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.38 2buf h ASN 114 Cb 0.34 0.43 -0.02 0.00 0.73 0.00 0.00 38.32 39.80 2buf h ASN 114 CO -0.34 -0.41 -0.49 -0.07 -1.29 0.00 0.00 177.43 174.83 2buf h LEU 115 N -0.50 -1.33 -0.68 0.34 3.38 -1.18 0.15 115.31 115.49 2buf h LEU 115 Ca 0.06 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2buf h LEU 115 Cb 0.60 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 2buf h LEU 115 CO -0.30 -0.66 -0.54 0.40 0.09 0.00 0.00 178.44 177.43 2buf h ILE 116 N -1.01 0.00 -0.80 1.22 2.04 -1.23 0.25 117.51 117.98 2buf h ILE 116 Ca -0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 2buf h ILE 116 Cb 0.87 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 2buf h ILE 116 CO -0.04 0.00 0.43 0.78 0.00 0.00 0.00 178.15 179.32 2buf h ASN 117 N -0.17 0.58 -0.19 1.72 -0.26 -1.23 -2.02 115.58 114.01 2buf h ASN 117 Ca 0.11 0.06 0.05 0.00 -0.56 0.00 0.00 56.30 55.97 2buf h ASN 117 Cb 0.46 -0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.61 2buf h ASN 117 CO -0.73 0.31 -0.31 0.03 -1.06 0.00 0.00 177.43 175.67 2buf h ARG 118 N 0.70 -0.33 -0.21 0.81 3.08 0.24 0.48 114.38 119.14 2buf h ARG 118 Ca 0.40 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2buf h ARG 118 Cb 0.44 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2buf h ARG 118 CO -0.28 -0.22 0.00 0.72 -1.07 0.00 0.00 179.97 179.11 2buf n HIS 119 N -5.40 0.00 0.00 3.04 8.25 -0.40 -4.82 115.22 115.89 2buf n HIS 119 Ca -0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2buf n HIS 119 Cb 0.32 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.41 2buf n HIS 119 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2buf n GLY 120 N 0.40 1.63 3.67 -1.41 0.00 0.15 -4.97 105.19 104.66 2buf n GLY 120 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2buf n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2buf s GLY 121 N -2.00 2.19 -0.46 -0.02 0.00 -0.79 -4.96 107.32 101.27 2buf s GLY 121 Ca 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 44.72 42.62 2buf s GLY 121 CO 0.00 -1.91 0.31 -0.56 0.00 0.00 0.00 173.10 170.94 2buf s SER 122 N -3.79 5.57 -0.09 1.64 0.01 -1.26 -3.55 113.70 112.24 2buf s SER 122 Ca 0.37 -2.00 -0.00 0.00 1.31 0.00 0.00 55.95 55.63 2buf s SER 122 Cb 0.02 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 2buf s SER 122 CO 0.20 -0.64 -0.06 0.00 0.41 0.00 0.00 173.24 173.15 2buf s ALA 123 N 1.23 2.98 -0.26 1.44 0.00 -1.26 0.12 121.76 126.00 2buf s ALA 123 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2buf s ALA 123 Cb -0.25 -1.29 0.08 0.00 0.00 0.00 0.00 23.12 21.66 2buf s ALA 123 CO -0.02 0.50 0.01 0.42 0.00 0.00 0.00 175.76 176.67 2buf s ILE 124 N -0.57 1.37 -0.39 0.00 1.01 -1.01 -4.95 121.20 116.66 2buf s ILE 124 Ca 0.09 -1.35 -0.29 0.00 0.00 0.00 0.00 60.65 59.10 2buf s ILE 124 Cb -0.12 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.54 2buf s ILE 124 CO 0.02 -0.32 1.56 -0.83 0.00 0.00 0.00 174.94 175.37 2buf s GLY 125 N 1.43 0.96 0.32 6.18 0.00 -1.26 -2.77 107.32 112.17 2buf s GLY 125 Ca 0.01 -0.03 0.10 0.00 0.00 0.00 0.00 44.72 44.80 2buf s GLY 125 CO -0.11 2.97 -0.08 1.08 0.00 0.00 0.00 173.10 176.95 2buf s LEU 126 N 6.06 2.81 0.15 0.66 1.43 -1.03 -5.01 118.68 123.75 2buf s LEU 126 Ca 0.68 -1.04 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2buf s LEU 126 Cb -0.17 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2buf s LEU 126 CO 0.33 -0.13 -0.11 0.42 0.23 0.00 0.00 176.35 177.09 2buf s THR 127 N -2.53 1.22 -1.04 5.49 -4.23 -1.26 -1.32 115.64 111.96 2buf s THR 127 Ca 0.32 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2buf s THR 127 Cb -0.01 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.98 2buf s THR 127 CO 0.17 -0.72 0.76 0.61 -0.54 0.00 0.00 174.62 174.90 2buf n GLY 128 N -0.18 -0.29 0.24 3.99 0.00 0.07 -1.40 105.19 107.63 2buf n GLY 128 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 2buf n GLY 128 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2buf h LYS 129 N 0.00 0.86 -6.26 1.61 1.63 -1.88 -1.38 116.57 111.15 2buf h LYS 129 Ca 0.00 -0.56 -0.57 0.00 -0.85 0.00 0.00 60.65 58.67 2buf h LYS 129 Cb 0.14 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2buf h LYS 129 CO 0.00 1.19 1.25 -0.25 -3.45 0.00 0.00 179.45 178.19 2buf n ASP 130 N -4.00 3.76 -4.29 4.20 8.00 -0.50 -1.86 116.55 121.87 2buf n ASP 130 Ca -0.05 0.79 -0.37 0.00 0.71 0.00 0.00 54.79 55.87 2buf n ASP 130 Cb 0.64 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 2buf n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2buf n ALA 131 N 8.06 -1.32 -4.22 2.24 0.00 -1.26 0.01 120.51 124.02 2buf n ALA 131 Ca 0.23 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 2buf n ALA 131 Cb 0.38 -3.03 -0.07 0.00 0.00 0.00 0.00 19.45 16.73 2buf n ALA 131 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2buf n GLU 132 N -4.32 -0.76 0.01 0.00 1.02 -0.77 -4.84 120.64 110.98 2buf n GLU 132 Ca 0.05 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 2buf n GLU 132 Cb 0.50 -3.19 -0.04 0.00 -0.02 0.00 0.00 31.44 28.69 2buf n GLU 132 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2buf h LEU 133 N -1.91 -0.21 -7.60 -4.62 5.85 0.70 -3.37 115.31 104.15 2buf h LEU 133 Ca -0.66 0.05 -0.69 0.00 0.84 0.00 0.00 57.88 57.42 2buf h LEU 133 Cb 1.36 0.11 -0.36 0.00 0.37 0.00 0.00 40.66 42.14 2buf h LEU 133 CO 0.64 -0.09 -0.42 -0.63 -0.34 0.00 0.00 178.44 177.59 2buf s ILE 134 N -6.18 3.53 0.22 4.05 -1.09 -0.96 -1.17 121.20 119.60 2buf s ILE 134 Ca -0.14 -2.82 -0.30 0.00 -2.23 0.00 0.00 60.65 55.17 2buf s ILE 134 Cb 0.09 -3.33 -0.08 0.00 -1.58 0.00 0.00 42.46 37.55 2buf s ILE 134 CO 0.67 -0.83 1.02 -0.13 -1.23 0.00 0.00 174.94 174.44 2buf s ARG 135 N 0.15 4.71 0.11 2.79 0.52 -0.24 -1.48 118.95 125.52 2buf s ARG 135 Ca 0.15 1.62 -0.15 0.00 -0.52 0.00 0.00 55.73 56.83 2buf s ARG 135 Cb -0.21 -3.27 0.03 0.00 0.52 0.00 0.00 34.95 32.02 2buf s ARG 135 CO -0.03 0.28 0.37 0.00 0.02 0.00 0.00 175.30 175.94 2buf s ALA 136 N -0.77 -0.84 0.28 2.13 0.00 -1.05 -1.00 121.76 120.52 2buf s ALA 136 Ca 0.45 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.39 2buf s ALA 136 Cb -0.28 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 2buf s ALA 136 CO 0.35 -0.61 -0.12 -1.59 0.00 0.00 0.00 175.76 173.78 2buf s LYS 137 N -3.72 1.60 0.29 0.00 -2.85 -0.81 -3.78 119.74 110.47 2buf s LYS 137 Ca 0.03 -1.77 -0.30 0.00 -1.00 0.00 0.00 55.97 52.92 2buf s LYS 137 Cb 0.02 -1.42 -0.12 0.00 -2.06 0.00 0.00 37.83 34.24 2buf s LYS 137 CO -0.11 0.17 1.48 1.17 0.10 0.00 0.00 175.35 178.15 2buf n LYS 138 N -0.60 2.40 -3.34 1.78 4.81 -1.26 -0.52 118.16 121.43 2buf n LYS 138 Ca -0.06 0.85 -0.40 0.00 -0.87 0.00 0.00 58.31 57.83 2buf n LYS 138 Cb 0.62 -2.56 -0.09 0.00 0.02 0.00 0.00 35.03 33.03 2buf n LYS 138 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2buf s LEU 139 N -0.52 4.22 0.20 3.14 2.96 -0.95 -4.69 118.68 123.04 2buf s LEU 139 Ca 0.63 0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 54.34 2buf s LEU 139 Cb -0.56 -2.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.59 2buf s LEU 139 CO 0.52 -0.31 1.18 -0.89 -1.32 0.00 0.00 176.35 175.53 2buf s THR 140 N 2.16 3.57 0.03 3.68 2.01 -1.26 -4.81 115.64 121.03 2buf s THR 140 Ca 0.16 1.36 -0.10 0.00 0.31 0.00 0.00 61.69 63.42 2buf s THR 140 Cb -0.16 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.49 2buf s THR 140 CO 0.11 0.24 0.20 -0.69 -0.69 0.00 0.00 174.62 173.79 2buf s VAL 141 N -0.25 0.10 -0.37 3.82 1.01 -1.26 -5.13 120.40 118.32 2buf s VAL 141 Ca 0.51 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 2buf s VAL 141 Cb -0.32 -0.86 0.10 0.00 0.00 0.00 0.00 36.38 35.30 2buf s VAL 141 CO 0.37 -0.46 0.12 0.42 0.00 0.00 0.00 175.10 175.55 2buf s THR 142 N -2.40 2.87 0.00 3.92 -4.23 -1.26 -3.28 115.64 111.25 2buf s THR 142 Ca -0.06 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 2buf s THR 142 Cb -0.02 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2buf s THR 142 CO -0.03 -0.56 0.39 -2.11 -0.54 0.00 0.00 174.62 171.77 2buf n ARG 143 N 4.47 0.00 0.00 3.99 0.00 -1.26 -4.92 116.66 118.94 2buf n ARG 143 Ca -0.02 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 2buf n ARG 143 Cb 0.42 -0.89 0.00 0.00 -0.00 0.00 0.00 32.46 31.99 2buf n ARG 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2buf n GLU 152 N -0.55 0.00 -1.71 2.89 2.13 -1.26 -4.99 120.64 117.16 2buf n GLU 152 Ca 0.00 0.00 -0.57 0.00 0.66 0.00 0.00 57.16 57.25 2buf n GLU 152 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 2buf n GLU 152 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2buf n ILE 153 N 0.15 0.31 -2.25 6.31 5.41 -1.26 -4.76 119.36 123.27 2buf n ILE 153 Ca 0.00 -0.06 -0.43 0.00 1.00 0.00 0.00 62.75 63.27 2buf n ILE 153 Cb 0.00 -1.25 -0.02 0.00 -0.71 0.00 0.00 39.64 37.66 2buf n ILE 153 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2buf s ILE 154 N 3.49 3.94 -0.45 1.39 1.01 -1.21 -4.96 121.20 124.42 2buf s ILE 154 Ca 0.98 1.09 -0.29 0.00 0.00 0.00 0.00 60.65 62.43 2buf s ILE 154 Cb -1.05 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 37.59 2buf s ILE 154 CO 0.65 -0.25 1.43 1.51 0.00 0.00 0.00 174.94 178.27 2buf s ASP 155 N 3.14 6.26 0.00 3.58 -4.77 -1.26 -4.54 116.67 119.08 2buf s ASP 155 Ca 0.64 0.71 0.27 0.00 -3.30 0.00 0.00 52.55 50.87 2buf s ASP 155 Cb -0.24 -2.54 0.94 0.00 -1.09 0.00 0.00 42.92 39.99 2buf s ASP 155 CO 0.24 -1.52 1.69 -0.38 0.70 0.00 0.00 175.17 175.90 2buf n ILE 156 N 7.05 0.00 -0.30 2.11 5.41 -1.26 -5.02 119.36 127.35 2buf n ILE 156 Ca 0.16 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.87 2buf n ILE 156 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 2buf n ILE 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2buf n GLY 157 N 1.40 0.78 1.43 7.39 0.00 -1.26 -3.20 105.19 111.73 2buf n GLY 157 Ca 0.10 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2buf n GLY 157 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2buf n HIS 158 N 0.68 0.00 -3.77 1.61 8.25 -1.23 -4.77 115.22 115.98 2buf n HIS 158 Ca 0.00 -0.92 -0.36 0.00 -0.26 0.00 0.00 57.72 56.18 2buf n HIS 158 Cb 0.00 -0.46 -0.12 0.00 1.12 0.00 0.00 29.99 30.52 2buf n HIS 158 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2buf s VAL 159 N 0.02 4.31 0.52 1.59 1.01 -1.26 -0.35 120.40 126.24 2buf s VAL 159 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2buf s VAL 159 Cb 0.00 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 2buf s VAL 159 CO 0.00 0.35 0.10 -0.83 0.00 0.00 0.00 175.10 174.72 2buf s GLY 160 N 1.56 2.86 -0.06 4.51 0.00 -1.05 -2.24 107.32 112.91 2buf s GLY 160 Ca 0.06 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.19 2buf s GLY 160 CO 0.03 -2.13 -0.11 -1.83 0.00 0.00 0.00 173.10 169.07 2buf s GLU 161 N -3.98 1.52 -0.21 2.90 -1.05 0.32 -4.69 118.70 113.51 2buf s GLU 161 Ca 0.13 -0.35 -0.39 0.00 -0.15 0.00 0.00 54.97 54.21 2buf s GLU 161 Cb 0.01 -1.30 -0.15 0.00 -0.44 0.00 0.00 34.13 32.24 2buf s GLU 161 CO 0.08 -0.01 1.70 0.28 0.95 0.00 0.00 175.26 178.26 2buf n VAL 162 N 3.90 0.29 -0.01 1.83 0.31 -1.26 -1.93 118.33 121.47 2buf n VAL 162 Ca -0.23 -0.05 0.05 0.00 -0.01 0.00 0.00 64.34 64.10 2buf n VAL 162 Cb 0.51 -1.24 -0.09 0.00 -0.91 0.00 0.00 33.84 32.12 2buf n VAL 162 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2buf n THR 163 N 4.36 0.02 -3.56 2.52 -2.24 -0.17 -4.93 114.28 110.28 2buf n THR 163 Ca 0.25 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2buf n THR 163 Cb 0.15 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 2buf n THR 163 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2buf s GLY 164 N -3.29 -0.34 -0.01 3.38 0.00 -1.12 -5.01 107.32 100.93 2buf s GLY 164 Ca -0.04 1.46 0.02 0.00 0.00 0.00 0.00 44.72 46.16 2buf s GLY 164 CO 0.45 0.53 -0.06 0.14 0.00 0.00 0.00 173.10 174.16 2buf s VAL 165 N -2.50 0.52 -0.56 1.40 1.01 -1.26 -1.08 120.40 117.94 2buf s VAL 165 Ca 0.06 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 2buf s VAL 165 Cb -0.01 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.98 2buf s VAL 165 CO -0.06 0.15 0.91 0.21 0.00 0.00 0.00 175.10 176.31 2buf s ASN 166 N -0.12 6.30 0.16 3.32 3.84 -0.31 -4.79 114.94 123.34 2buf s ASN 166 Ca 0.02 -0.50 0.17 0.00 0.21 0.00 0.00 52.86 52.76 2buf s ASN 166 Cb -0.03 -2.42 -0.04 0.00 -0.55 0.00 0.00 41.25 38.21 2buf s ASN 166 CO -0.00 -1.21 1.07 -0.37 -2.79 0.00 0.00 177.10 173.79 2buf h VAL 167 N 6.00 0.54 -0.36 -5.21 -1.51 -1.92 -3.28 116.25 110.50 2buf h VAL 167 Ca -0.27 -1.91 0.07 0.00 -1.23 0.00 0.00 66.70 63.35 2buf h VAL 167 Cb 1.08 2.09 -0.06 0.00 -2.13 0.00 0.00 31.29 32.27 2buf h VAL 167 CO 1.08 0.31 -0.01 1.23 -1.23 0.00 0.00 177.57 178.95 2buf h GLY 168 N 3.69 0.35 0.89 5.19 0.00 -1.98 0.83 103.07 112.04 2buf h GLY 168 Ca -0.09 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2buf h GLY 168 CO 0.05 -0.09 -0.00 -2.00 0.00 0.00 0.00 176.54 174.49 2buf h LEU 169 N 0.09 0.55 -0.14 3.11 5.85 -1.98 -1.62 115.31 121.16 2buf h LEU 169 Ca 0.18 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2buf h LEU 169 Cb 0.25 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2buf h LEU 169 CO -0.30 0.72 0.02 -0.07 -0.34 0.00 0.00 178.44 178.47 2buf h LEU 170 N 0.36 0.23 -0.92 2.25 3.38 -1.53 -1.65 115.31 117.42 2buf h LEU 170 Ca 0.09 -0.27 0.16 0.00 0.09 0.00 0.00 57.88 57.95 2buf h LEU 170 Cb 0.44 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 2buf h LEU 170 CO 0.02 0.44 0.52 0.78 0.09 0.00 0.00 178.44 180.28 2buf h ASN 171 N 0.01 0.66 0.69 -0.43 2.35 0.76 0.43 115.58 120.06 2buf h ASN 171 Ca 0.04 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2buf h ASN 171 Cb 0.31 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.66 2buf h ASN 171 CO 0.00 0.28 -0.33 -0.03 -1.65 0.00 0.00 177.43 175.70 2buf h MET 172 N 0.72 -0.90 -1.15 0.81 1.85 -1.14 0.28 114.93 115.40 2buf h MET 172 Ca 0.50 0.06 0.32 0.00 -0.61 0.00 0.00 59.70 59.98 2buf h MET 172 Cb 0.70 0.20 -0.07 0.00 0.43 0.00 0.00 31.60 32.87 2buf h MET 172 CO -0.35 -0.60 0.79 -0.07 -0.40 0.00 0.00 176.91 176.28 2buf h LEU 173 N -1.19 0.17 -0.00 3.39 3.38 -0.54 0.62 115.31 121.14 2buf h LEU 173 Ca -0.10 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2buf h LEU 173 Cb 0.72 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2buf h LEU 173 CO 0.16 0.02 -0.16 0.58 0.09 0.00 0.00 178.44 179.12 2buf h VAL 174 N 0.14 1.57 0.00 1.22 2.07 -0.02 0.94 116.25 122.16 2buf h VAL 174 Ca 0.59 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2buf h VAL 174 Cb 2.03 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.57 2buf h VAL 174 CO -0.13 0.51 0.00 0.50 0.02 0.00 0.00 177.57 178.46 2buf h LYS 175 N -0.58 0.00 -0.02 1.57 3.64 0.37 -0.06 116.57 121.49 2buf h LYS 175 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2buf h LYS 175 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2buf h LYS 175 CO 0.03 0.00 -0.27 0.41 -2.27 0.00 0.00 179.45 177.35 2buf n GLY 176 N -1.06 -0.01 2.05 5.01 0.00 0.15 -4.93 105.19 106.40 2buf n GLY 176 Ca -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 2buf n GLY 176 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2buf n ASP 177 N 0.03 -2.00 -4.76 1.61 -0.08 -0.04 -5.03 116.55 106.29 2buf n ASP 177 Ca 0.12 0.01 -0.36 0.00 -1.51 0.00 0.00 54.79 53.06 2buf n ASP 177 Cb 0.44 -0.97 -0.07 0.00 2.34 0.00 0.00 41.12 42.86 2buf n ASP 177 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2buf s PHE 178 N -2.10 3.48 -0.50 -0.67 0.40 0.32 -4.56 117.98 114.35 2buf s PHE 178 Ca 0.00 0.50 -0.20 0.00 -0.60 0.00 0.00 56.93 56.63 2buf s PHE 178 Cb 0.00 -2.20 0.05 0.00 0.51 0.00 0.00 43.02 41.38 2buf s PHE 178 CO 0.00 0.36 0.69 0.42 0.70 0.00 0.00 175.22 177.39 2buf s ILE 179 N 0.09 4.78 0.14 0.64 1.01 0.32 -3.89 121.20 124.29 2buf s ILE 179 Ca 0.13 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2buf s ILE 179 Cb -0.12 -4.33 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 2buf s ILE 179 CO 0.02 -0.83 1.20 -2.84 0.00 0.00 0.00 174.94 172.48 2buf s PRO 180 N 2.90 4.47 -0.33 2.79 0.02 -1.26 -2.41 135.00 141.18 2buf s PRO 180 Ca 0.19 1.83 0.03 0.00 0.02 0.00 0.00 61.00 63.07 2buf s PRO 180 Cb -0.17 -3.28 0.10 0.00 0.02 0.00 0.00 34.50 31.16 2buf s PRO 180 CO 0.14 -0.14 0.05 0.08 -0.33 0.00 0.00 177.00 176.80 2buf s VAL 181 N 0.37 2.07 -0.06 3.83 1.01 -1.11 -0.65 120.40 125.87 2buf s VAL 181 Ca 0.55 -2.20 -0.19 0.00 0.00 0.00 0.00 61.98 60.14 2buf s VAL 181 Cb -0.31 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2buf s VAL 181 CO 0.33 -0.60 0.54 -0.63 0.00 0.00 0.00 175.10 174.74 2buf s ILE 182 N 1.01 5.05 -0.18 2.22 1.01 0.42 -2.47 121.20 128.25 2buf s ILE 182 Ca 0.11 1.10 -0.13 0.00 0.00 0.00 0.00 60.65 61.73 2buf s ILE 182 Cb -0.19 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2buf s ILE 182 CO -0.10 0.38 0.27 0.00 0.00 0.00 0.00 174.94 175.49 2buf s ALA 183 N 0.13 3.60 -0.34 9.38 0.00 -0.44 -1.28 121.76 132.82 2buf s ALA 183 Ca 0.29 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 2buf s ALA 183 Cb -0.17 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2buf s ALA 183 CO 0.14 0.02 1.42 -2.30 0.00 0.00 0.00 175.76 175.04 2buf n PRO 184 N 3.75 0.77 -4.90 0.00 -0.02 -1.25 -3.38 135.00 129.97 2buf n PRO 184 Ca -0.12 -0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 60.17 2buf n PRO 184 Cb 0.52 -2.18 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 2buf n PRO 184 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2buf s ILE 185 N 4.46 2.14 0.35 4.25 1.01 -1.26 -3.00 121.20 129.14 2buf s ILE 185 Ca 0.16 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2buf s ILE 185 Cb 0.04 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 2buf s ILE 185 CO -0.01 0.55 0.36 -0.83 0.00 0.00 0.00 174.94 175.01 2buf s GLY 186 N 0.59 1.79 -0.02 6.18 0.00 -0.80 -0.75 107.32 114.30 2buf s GLY 186 Ca -0.12 -1.64 -0.00 0.00 0.00 0.00 0.00 44.72 42.96 2buf s GLY 186 CO 0.03 -1.54 0.04 0.54 0.00 0.00 0.00 173.10 172.17 2buf s VAL 187 N -2.30 -0.05 0.00 1.40 0.11 -0.55 -0.46 120.40 118.56 2buf s VAL 187 Ca 0.43 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 2buf s VAL 187 Cb -0.07 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 2buf s VAL 187 CO 0.28 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 2buf n GLY 188 N 4.01 3.33 0.21 6.54 0.00 -0.95 -2.52 105.19 115.82 2buf n GLY 188 Ca -0.25 -2.15 -0.04 0.00 0.00 0.00 0.00 46.02 43.57 2buf n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2buf n SER 189 N -1.72 -0.49 -0.47 1.61 3.41 -1.26 0.16 113.62 114.86 2buf n SER 189 Ca 0.00 0.92 0.09 0.00 -0.26 0.00 0.00 58.87 59.62 2buf n SER 189 Cb 0.00 -0.15 0.36 0.00 -0.26 0.00 0.00 64.21 64.17 2buf n SER 189 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2buf n ASN 190 N -4.68 1.41 0.00 4.04 3.02 -1.26 -4.89 115.26 112.91 2buf n ASN 190 Ca 0.02 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2buf n ASN 190 Cb 0.16 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2buf n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buf n GLY 191 N 1.06 0.44 3.78 7.41 0.00 0.42 -5.03 105.19 113.27 2buf n GLY 191 Ca 0.15 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2buf n GLY 191 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2buf s GLU 192 N -1.43 4.39 0.38 1.61 4.04 -1.26 -4.74 118.70 121.69 2buf s GLU 192 Ca 0.00 0.93 -0.25 0.00 0.04 0.00 0.00 54.97 55.68 2buf s GLU 192 Cb 0.00 -3.29 -0.09 0.00 0.02 0.00 0.00 34.13 30.77 2buf s GLU 192 CO 0.00 0.51 1.09 -1.54 -1.84 0.00 0.00 175.26 173.47 2buf s SER 193 N -0.76 6.77 0.21 0.83 1.04 -1.26 -2.23 113.70 118.29 2buf s SER 193 Ca 0.33 2.16 0.12 0.00 0.48 0.00 0.00 55.95 59.03 2buf s SER 193 Cb -0.21 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.27 2buf s SER 193 CO 0.22 -0.49 -0.23 -0.31 0.98 0.00 0.00 173.24 173.41 2buf s TYR 194 N -1.51 2.30 -0.17 5.02 1.51 0.40 -4.93 117.35 119.96 2buf s TYR 194 Ca 0.55 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 56.22 2buf s TYR 194 Cb -0.26 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 2buf s TYR 194 CO 0.33 0.54 -0.04 1.21 -1.11 0.00 0.00 175.55 176.48 2buf s ASN 195 N -2.83 4.65 0.05 2.29 2.47 0.53 -1.90 114.94 120.19 2buf s ASN 195 Ca 0.23 -0.21 0.04 0.00 0.42 0.00 0.00 52.86 53.34 2buf s ASN 195 Cb -0.07 -1.77 -0.02 0.00 -1.45 0.00 0.00 41.25 37.93 2buf s ASN 195 CO 0.11 0.11 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.86 2buf s ILE 196 N 0.69 0.89 0.08 -5.21 1.01 -1.16 -2.54 121.20 114.95 2buf s ILE 196 Ca -0.02 -1.09 -0.31 0.00 0.00 0.00 0.00 60.65 59.23 2buf s ILE 196 Cb -0.14 -0.87 -0.09 0.00 0.01 0.00 0.00 42.46 41.37 2buf s ILE 196 CO 0.02 -0.20 1.76 0.21 0.00 0.00 0.00 174.94 176.74 2buf s ASN 197 N -1.44 6.52 0.53 3.58 3.84 -1.26 -4.82 114.94 121.88 2buf s ASN 197 Ca -0.03 2.60 0.21 0.00 0.21 0.00 0.00 52.86 55.85 2buf s ASN 197 Cb -0.09 -2.56 1.37 0.00 -0.55 0.00 0.00 41.25 39.42 2buf s ASN 197 CO 0.01 -0.96 2.08 0.00 -2.79 0.00 0.00 177.10 175.45 2buf h ALA 198 N 8.77 2.20 -0.33 1.71 0.00 -1.90 0.32 119.26 130.02 2buf h ALA 198 Ca -0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2buf h ALA 198 Cb 1.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2buf h ALA 198 CO 0.94 -0.31 -0.10 -0.44 0.00 0.00 0.00 179.25 179.34 2buf h ASP 199 N 0.00 0.66 -0.19 0.00 3.32 -1.93 -1.35 116.42 116.93 2buf h ASP 199 Ca 0.12 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 2buf h ASP 199 Cb 0.48 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2buf h ASP 199 CO -0.00 0.89 0.12 -0.07 -1.72 0.00 0.00 179.24 178.45 2buf h LEU 200 N 0.42 0.22 0.78 1.55 3.38 -0.80 -1.15 115.31 119.72 2buf h LEU 200 Ca 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2buf h LEU 200 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2buf h LEU 200 CO 0.04 0.19 -0.42 0.58 0.09 0.00 0.00 178.44 178.92 2buf h VAL 201 N 0.23 0.15 -0.48 1.22 2.07 -0.98 -0.95 116.25 117.51 2buf h VAL 201 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.73 2buf h VAL 201 Cb 0.01 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2buf h VAL 201 CO -0.01 0.00 0.50 0.00 0.02 0.00 0.00 177.57 178.08 2buf h ALA 202 N -0.92 2.22 0.01 1.67 0.00 -1.16 0.23 119.26 121.32 2buf h ALA 202 Ca -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2buf h ALA 202 Cb 0.87 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2buf h ALA 202 CO 0.15 -0.75 -0.01 0.78 0.00 0.00 0.00 179.25 179.42 2buf h GLY 203 N 0.00 -0.02 1.85 0.00 0.00 -0.61 -2.89 103.07 101.40 2buf h GLY 203 Ca 0.23 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 2buf h GLY 203 CO -0.00 -0.01 -0.15 0.50 0.00 0.00 0.00 176.54 176.88 2buf h LYS 204 N -0.80 0.19 -0.41 4.80 1.79 0.47 -1.55 116.57 121.06 2buf h LYS 204 Ca -0.00 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.30 2buf h LYS 204 Cb 0.75 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2buf h LYS 204 CO 0.00 0.35 -0.23 0.28 -1.08 0.00 0.00 179.45 178.77 2buf h VAL 205 N 0.18 1.28 -0.57 0.50 2.07 -0.75 -1.75 116.25 117.21 2buf h VAL 205 Ca 0.04 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.09 2buf h VAL 205 Cb 0.38 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2buf h VAL 205 CO 0.02 0.46 0.02 0.00 0.02 0.00 0.00 177.57 178.09 2buf h ALA 206 N 0.81 0.76 -1.00 1.67 0.00 -1.23 -1.79 119.26 118.48 2buf h ALA 206 Ca 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2buf h ALA 206 Cb 0.80 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2buf h ALA 206 CO 0.07 0.58 0.66 0.93 0.00 0.00 0.00 179.25 181.48 2buf h GLU 207 N 0.87 1.30 -0.09 0.00 5.08 -1.14 0.95 114.58 121.56 2buf h GLU 207 Ca 0.16 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 2buf h GLU 207 Cb 0.52 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2buf h GLU 207 CO 0.03 0.86 -0.55 0.00 -1.00 0.00 0.00 179.01 178.35 2buf h ALA 208 N 1.37 0.90 -0.39 3.43 0.00 -1.08 -2.74 119.26 120.75 2buf h ALA 208 Ca 0.37 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2buf h ALA 208 Cb -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2buf h ALA 208 CO -0.09 0.69 0.00 1.28 0.00 0.00 0.00 179.25 181.14 2buf n LEU 209 N -3.91 2.55 -4.10 0.00 4.77 -0.69 -4.92 117.00 110.69 2buf n LEU 209 Ca -0.02 -1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 54.43 2buf n LEU 209 Cb 0.58 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2buf n LEU 209 CO 0.44 0.60 -0.33 0.29 -1.33 0.00 0.00 177.39 177.05 2buf n LYS 210 N 0.89 -0.72 -2.32 3.23 4.76 0.22 -4.82 118.16 119.41 2buf n LYS 210 Ca 0.17 0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.32 2buf n LYS 210 Cb 0.43 -2.81 -0.01 0.00 -1.84 0.00 0.00 35.03 30.80 2buf n LYS 210 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2buf s ALA 211 N -4.05 2.78 0.07 7.82 0.00 -0.57 -4.93 121.76 122.87 2buf s ALA 211 Ca 0.15 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 2buf s ALA 211 Cb -0.08 -3.27 -0.16 0.00 0.00 0.00 0.00 23.12 19.60 2buf s ALA 211 CO 0.89 -0.58 1.64 1.49 0.00 0.00 0.00 175.76 179.19 2buf h GLU 212 N 1.11 -0.08 -3.69 0.00 4.57 -1.56 -3.32 114.58 111.62 2buf h GLU 212 Ca -0.49 0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 57.52 2buf h GLU 212 Cb 1.23 0.02 -0.23 0.00 -0.16 0.00 0.00 28.75 29.60 2buf h GLU 212 CO 0.58 0.04 -0.61 0.21 -1.18 0.00 0.00 179.01 178.04 2buf s LYS 213 N -5.81 0.28 -0.25 1.92 2.20 -1.25 -2.12 119.74 114.71 2buf s LYS 213 Ca -0.14 -0.29 -0.03 0.00 -0.36 0.00 0.00 55.97 55.16 2buf s LYS 213 Cb 0.05 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2buf s LYS 213 CO 0.66 -0.05 -0.04 -1.17 -0.36 0.00 0.00 175.35 174.38 2buf s LEU 214 N -0.88 3.22 -0.37 5.43 2.96 0.69 -2.06 118.68 127.67 2buf s LEU 214 Ca -0.10 -0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 52.95 2buf s LEU 214 Cb -0.06 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.98 2buf s LEU 214 CO 0.00 -0.12 0.16 -0.04 -1.32 0.00 0.00 176.35 175.04 2buf s MET 215 N 1.37 2.63 -0.43 1.98 -1.94 0.09 0.29 119.30 123.28 2buf s MET 215 Ca 0.01 -1.26 -0.18 0.00 -1.71 0.00 0.00 55.69 52.56 2buf s MET 215 Cb -0.16 -3.59 0.03 0.00 2.01 0.00 0.00 34.83 33.11 2buf s MET 215 CO -0.04 -0.76 0.47 -0.51 -0.01 0.00 0.00 175.02 174.17 2buf s LEU 216 N 1.42 4.90 0.06 -0.03 1.43 0.14 -1.51 118.68 125.09 2buf s LEU 216 Ca 0.00 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.14 2buf s LEU 216 Cb -0.20 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 2buf s LEU 216 CO 0.03 -0.63 0.75 -0.76 0.23 0.00 0.00 176.35 175.97 2buf s LEU 217 N 2.20 4.47 0.26 1.79 1.43 -0.97 -1.14 118.68 126.72 2buf s LEU 217 Ca 0.13 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 2buf s LEU 217 Cb -0.17 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2buf s LEU 217 CO 0.13 0.06 0.15 0.28 0.23 0.00 0.00 176.35 177.20 2buf s THR 218 N -0.26 0.23 -0.51 5.49 -1.32 -0.52 -4.85 115.64 113.90 2buf s THR 218 Ca 0.37 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.88 2buf s THR 218 Cb -0.21 -2.53 0.56 0.00 -1.51 0.00 0.00 72.50 68.81 2buf s THR 218 CO 0.23 0.00 1.88 0.59 -2.21 0.00 0.00 174.62 175.11 2buf n ASN 219 N -0.67 5.11 -3.74 8.08 3.02 -1.26 0.00 115.26 125.81 2buf n ASN 219 Ca 0.02 -3.70 -0.14 0.00 -0.03 0.00 0.00 54.58 50.73 2buf n ASN 219 Cb 0.65 -0.85 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 2buf n ASN 219 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2buf s ILE 220 N -3.91 0.05 0.32 2.41 2.07 -1.26 -4.99 121.20 115.89 2buf s ILE 220 Ca 0.58 -0.43 0.08 0.00 -1.41 0.00 0.00 60.65 59.48 2buf s ILE 220 Cb 0.48 -0.65 0.36 0.00 0.13 0.00 0.00 42.46 42.78 2buf s ILE 220 CO 0.05 -0.23 1.61 0.00 -1.91 0.00 0.00 174.94 174.45 2buf h ALA 221 N 3.78 1.56 0.00 1.50 0.00 -1.92 -3.32 119.26 120.86 2buf h ALA 221 Ca -0.29 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2buf h ALA 221 Cb 1.17 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2buf h ALA 221 CO 0.40 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 179.41 2buf n GLY 222 N -1.38 0.82 3.70 0.00 0.00 -1.26 -3.49 105.19 103.58 2buf n GLY 222 Ca 0.28 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2buf n GLY 222 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2buf s LEU 223 N 0.00 4.35 0.42 0.99 0.05 -1.26 -4.92 118.68 118.32 2buf s LEU 223 Ca 0.00 2.34 0.07 0.00 0.05 0.00 0.00 54.13 56.59 2buf s LEU 223 Cb 0.00 -3.57 -0.06 0.00 -2.05 0.00 0.00 46.19 40.51 2buf s LEU 223 CO 0.00 -0.78 0.10 0.00 -0.55 0.00 0.00 176.35 175.13 2buf s MET 224 N 2.09 2.11 0.84 1.48 0.23 -1.26 -1.91 119.30 122.88 2buf s MET 224 Ca 0.68 -2.00 -0.10 0.00 -1.03 0.00 0.00 55.69 53.24 2buf s MET 224 Cb -0.37 -1.81 0.10 0.00 -1.53 0.00 0.00 34.83 31.22 2buf s MET 224 CO 0.30 -0.12 1.12 0.34 -2.03 0.00 0.00 175.02 174.63 2buf s ASP 225 N -3.83 3.69 0.00 -1.18 2.15 0.15 -4.86 116.67 112.79 2buf s ASP 225 Ca 0.36 2.03 0.06 0.00 0.43 0.00 0.00 52.55 55.43 2buf s ASP 225 Cb 0.06 -2.55 0.29 0.00 -0.30 0.00 0.00 42.92 40.42 2buf s ASP 225 CO 0.19 -2.58 1.11 0.29 -0.17 0.00 0.00 175.17 174.01 2buf n LYS 226 N -3.85 0.05 -0.08 4.34 5.02 -1.26 -1.90 118.16 120.48 2buf n LYS 226 Ca 0.11 0.30 0.05 0.00 -2.02 0.00 0.00 58.31 56.74 2buf n LYS 226 Cb 0.52 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.12 2buf n LYS 226 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2buf n GLN 227 N -1.38 1.65 -0.07 1.97 6.02 -1.26 -4.99 117.38 119.32 2buf n GLN 227 Ca 0.02 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 2buf n GLN 227 Cb 0.06 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.12 2buf n GLN 227 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2buf n GLY 228 N 0.42 0.96 3.70 1.08 0.00 -0.80 -5.08 105.19 105.48 2buf n GLY 228 Ca 0.08 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2buf n GLY 228 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2buf s GLN 229 N -0.41 4.06 -0.08 1.61 -0.21 -1.26 -4.79 119.66 118.57 2buf s GLN 229 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 55.36 54.82 2buf s GLN 229 Cb 0.00 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 2buf s GLN 229 CO 0.00 0.32 1.37 0.08 -2.12 0.00 0.00 175.29 174.94 2buf s VAL 230 N 0.27 3.98 0.45 1.09 1.01 -1.26 0.32 120.40 126.25 2buf s VAL 230 Ca 0.07 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 2buf s VAL 230 Cb -0.12 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2buf s VAL 230 CO -0.01 -0.07 0.75 -0.76 0.00 0.00 0.00 175.10 175.02 2buf s LEU 231 N 3.12 3.71 -0.23 3.92 1.43 -0.80 -4.94 118.68 124.89 2buf s LEU 231 Ca 0.61 0.91 -0.26 0.00 -1.03 0.00 0.00 54.13 54.36 2buf s LEU 231 Cb -0.27 -3.84 0.09 0.00 0.03 0.00 0.00 46.19 42.19 2buf s LEU 231 CO 0.22 -0.51 0.82 -0.89 0.23 0.00 0.00 176.35 176.22 2buf s THR 232 N -2.62 0.00 -0.54 5.49 2.01 -1.26 -3.76 115.64 114.95 2buf s THR 232 Ca 0.47 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 2buf s THR 232 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 2buf s THR 232 CO 0.41 0.00 0.19 0.61 -0.69 0.00 0.00 174.62 175.14 2buf n GLY 233 N 2.11 0.25 3.78 4.40 0.00 0.23 -4.86 105.19 111.09 2buf n GLY 233 Ca -0.14 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2buf n GLY 233 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buf s LEU 234 N -2.56 3.60 0.40 0.99 1.43 -1.25 -4.99 118.68 116.29 2buf s LEU 234 Ca 0.09 2.02 0.08 0.00 -1.03 0.00 0.00 54.13 55.29 2buf s LEU 234 Cb -0.04 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.62 2buf s LEU 234 CO 0.12 -1.29 0.50 -0.94 0.23 0.00 0.00 176.35 174.97 2buf s SER 235 N -2.25 5.59 0.00 2.29 1.04 -1.26 -4.71 113.70 114.40 2buf s SER 235 Ca 0.68 -0.44 -0.25 0.00 0.48 0.00 0.00 55.95 56.43 2buf s SER 235 Cb -0.20 -0.77 -0.18 0.00 0.10 0.00 0.00 66.02 64.97 2buf s SER 235 CO 0.33 -0.66 1.27 0.74 0.98 0.00 0.00 173.24 175.90 2buf h THR 236 N 0.79 0.99 -0.97 2.02 2.02 -1.98 -2.17 112.91 113.61 2buf h THR 236 Ca -0.42 -0.77 0.30 0.00 0.77 0.00 0.00 66.41 66.30 2buf h THR 236 Cb 1.27 1.45 -0.15 0.00 -1.74 0.00 0.00 68.15 68.98 2buf h THR 236 CO 0.49 0.18 0.44 -0.08 0.37 0.00 0.00 175.52 176.92 2buf h GLU 237 N -0.59 0.23 0.56 6.66 4.81 -1.99 0.25 114.58 124.51 2buf h GLU 237 Ca -0.02 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2buf h GLU 237 Cb 0.45 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.78 2buf h GLU 237 CO 0.03 0.16 -0.27 1.96 -0.73 0.00 0.00 179.01 180.16 2buf h GLN 238 N 0.24 -0.72 -0.65 1.92 4.20 -1.94 -3.13 115.11 115.04 2buf h GLN 238 Ca 0.69 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.58 2buf h GLN 238 Cb 1.55 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 29.37 2buf h GLN 238 CO -0.66 -0.48 -0.08 0.28 -0.67 0.00 0.00 178.83 177.22 2buf h VAL 239 N -1.05 0.40 -1.03 -0.54 2.07 -0.69 0.37 116.25 115.78 2buf h VAL 239 Ca -0.08 -0.02 0.28 0.00 0.82 0.00 0.00 66.70 67.71 2buf h VAL 239 Cb 0.58 0.35 -0.13 0.00 -1.52 0.00 0.00 31.29 30.56 2buf h VAL 239 CO 0.13 0.01 0.61 0.78 0.02 0.00 0.00 177.57 179.12 2buf h ASN 240 N 0.05 0.57 -0.26 0.57 4.21 -1.04 0.34 115.58 120.02 2buf h ASN 240 Ca 0.33 0.14 -0.04 0.00 1.21 0.00 0.00 56.30 57.94 2buf h ASN 240 Cb 0.53 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 2buf h ASN 240 CO -0.62 0.02 -0.01 -0.33 -1.29 0.00 0.00 177.43 175.20 2buf h GLU 241 N 0.45 0.47 0.00 0.81 5.08 -0.21 -0.78 114.58 120.40 2buf h GLU 241 Ca 0.67 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.84 2buf h GLU 241 Cb 1.47 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2buf h GLU 241 CO -0.48 0.65 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.92 2buf h LEU 242 N 0.24 0.00 0.04 1.33 3.38 0.02 0.19 115.31 120.51 2buf h LEU 242 Ca 0.07 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 2buf h LEU 242 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2buf h LEU 242 CO 0.02 0.18 -1.11 0.40 0.09 0.00 0.00 178.44 178.02 2buf h ILE 243 N 0.00 1.59 -0.01 1.22 2.04 -0.46 0.26 117.51 122.15 2buf h ILE 243 Ca -0.00 -3.17 -0.02 0.00 1.00 0.00 0.00 64.86 62.67 2buf h ILE 243 Cb 0.60 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 2buf h ILE 243 CO 0.02 0.92 -0.06 0.00 0.00 0.00 0.00 178.15 179.03 2buf h ALA 244 N 0.79 0.02 0.00 1.87 0.00 -0.30 -2.94 119.26 118.69 2buf h ALA 244 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2buf h ALA 244 Cb 1.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2buf h ALA 244 CO 0.17 -0.09 0.00 -0.40 0.00 0.00 0.00 179.25 178.92 2buf n ASP 245 N -4.70 0.00 -3.59 0.00 5.75 0.59 -4.85 116.55 109.76 2buf n ASP 245 Ca -0.09 -1.29 -0.26 0.00 -0.01 0.00 0.00 54.79 53.14 2buf n ASP 245 Cb 0.37 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.50 2buf n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2buf n GLY 246 N 0.25 -0.52 0.14 6.12 0.00 -1.11 -4.86 105.19 105.21 2buf n GLY 246 Ca 0.03 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.36 2buf n GLY 246 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2buf h THR 247 N -2.02 0.00 -3.28 2.61 2.02 -0.74 -3.43 112.91 108.07 2buf h THR 247 Ca -0.55 -0.94 -0.66 0.00 0.77 0.00 0.00 66.41 65.02 2buf h THR 247 Cb 1.36 1.61 -0.30 0.00 -1.74 0.00 0.00 68.15 69.09 2buf h THR 247 CO 0.60 0.00 -0.79 -0.63 0.37 0.00 0.00 175.52 175.07 2buf s ILE 248 N -3.29 2.76 0.31 3.11 1.01 -1.01 -4.87 121.20 119.23 2buf s ILE 248 Ca 0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 2buf s ILE 248 Cb 0.09 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 2buf s ILE 248 CO 0.74 0.51 0.39 -0.72 0.00 0.00 0.00 174.94 175.86 2buf s TYR 249 N 0.88 1.15 0.00 3.97 -0.85 -1.26 -4.76 117.35 116.48 2buf s TYR 249 Ca -0.04 -1.33 0.00 0.00 -0.52 0.00 0.00 57.07 55.19 2buf s TYR 249 Cb -0.15 -0.25 0.00 0.00 0.38 0.00 0.00 41.96 41.94 2buf s TYR 249 CO -0.01 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 173.43 2buf n GLY 250 N -0.52 2.11 0.00 5.49 0.00 -1.26 -2.47 105.19 108.53 2buf n GLY 250 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2buf n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2buf n GLY 251 N 0.00 -0.41 0.00 -0.02 0.00 -1.26 -2.66 105.19 100.84 2buf n GLY 251 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2buf n GLY 251 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2buf n MET 252 N -0.52 0.66 0.18 1.61 0.00 -1.03 -4.24 117.12 113.78 2buf n MET 252 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 57.70 57.50 2buf n MET 252 Cb 0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 33.22 31.72 2buf n MET 252 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2buf h LEU 253 N 0.00 -0.35 -1.65 -0.89 3.38 -1.63 -2.43 115.31 111.74 2buf h LEU 253 Ca 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2buf h LEU 253 Cb 0.58 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2buf h LEU 253 CO 0.00 -0.20 -0.18 1.55 0.09 0.00 0.00 178.44 179.70 2buf h PRO 254 N -0.47 0.00 0.52 1.13 0.13 -1.81 -1.96 132.00 129.54 2buf h PRO 254 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2buf h PRO 254 Cb 0.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 2buf h PRO 254 CO 0.07 0.18 -0.43 -0.22 -0.23 0.00 0.00 178.00 177.37 2buf h LYS 255 N 0.00 -0.90 -0.17 0.86 3.64 -1.62 0.31 116.57 118.69 2buf h LYS 255 Ca -0.00 0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 2buf h LYS 255 Cb 0.32 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2buf h LYS 255 CO 0.02 -0.60 -0.61 0.82 -2.27 0.00 0.00 179.45 176.82 2buf h ILE 256 N -0.93 1.32 -0.99 2.00 1.08 -1.47 -2.62 117.51 115.90 2buf h ILE 256 Ca -0.06 -1.88 0.26 0.00 -0.39 0.00 0.00 64.86 62.80 2buf h ILE 256 Cb 0.80 1.85 -0.06 0.00 -3.07 0.00 0.00 36.82 36.33 2buf h ILE 256 CO -0.01 0.58 0.68 0.03 -0.69 0.00 0.00 178.15 178.73 2buf h ARG 257 N 0.43 0.22 0.30 2.37 3.08 -0.93 0.90 114.38 120.76 2buf h ARG 257 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2buf h ARG 257 Cb 1.17 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2buf h ARG 257 CO 0.11 0.15 -0.15 0.00 -1.07 0.00 0.00 179.97 179.02 2buf h ALA 259 N -1.52 1.25 -0.14 0.00 0.00 -1.11 1.57 119.26 119.32 2buf h ALA 259 Ca -0.04 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2buf h ALA 259 Cb 0.31 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2buf h ALA 259 CO 0.07 -0.53 -0.21 -0.07 0.00 0.00 0.00 179.25 178.51 2buf h LEU 260 N 0.12 0.23 0.13 0.00 3.38 0.80 0.15 115.31 120.12 2buf h LEU 260 Ca 0.57 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 58.17 2buf h LEU 260 Cb 1.19 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2buf h LEU 260 CO -0.75 0.46 -1.54 -0.33 0.09 0.00 0.00 178.44 176.37 2buf h GLU 261 N 0.22 0.26 -0.47 1.13 4.39 0.19 -2.65 114.58 117.65 2buf h GLU 261 Ca 0.04 -0.45 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 2buf h GLU 261 Cb 0.50 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2buf h GLU 261 CO 0.03 1.13 0.07 0.00 -1.16 0.00 0.00 179.01 179.09 2buf h ALA 262 N 0.46 1.24 0.03 3.43 0.00 0.21 -3.28 119.26 121.35 2buf h ALA 262 Ca -0.25 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.11 2buf h ALA 262 Cb 2.02 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.57 2buf h ALA 262 CO 0.17 0.52 -2.01 0.28 0.00 0.00 0.00 179.25 178.20 2buf n VAL 263 N -4.27 1.58 -0.16 0.00 0.31 0.50 0.18 118.33 116.48 2buf n VAL 263 Ca 0.03 -0.76 -0.03 0.00 -0.01 0.00 0.00 64.34 63.57 2buf n VAL 263 Cb 0.24 -1.10 0.04 0.00 -0.91 0.00 0.00 33.84 32.11 2buf n VAL 263 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2buf h GLN 264 N 0.02 0.01 -1.52 5.55 4.20 -1.53 -3.38 115.11 118.46 2buf h GLN 264 Ca -0.41 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.12 2buf h GLN 264 Cb 2.06 -0.00 -0.26 0.00 0.30 0.00 0.00 27.48 29.58 2buf h GLN 264 CO 0.05 0.01 -0.54 0.20 -0.67 0.00 0.00 178.83 177.88 2buf s GLY 265 N -3.21 -0.68 0.00 3.46 0.00 -1.25 -4.99 107.32 100.66 2buf s GLY 265 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2buf s GLY 265 CO 0.72 3.19 0.00 0.61 0.00 0.00 0.00 173.10 177.62 2buf n GLY 266 N 4.82 2.50 3.38 0.20 0.00 -1.26 -4.85 105.19 109.98 2buf n GLY 266 Ca 0.07 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 2buf n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2buf s VAL 267 N 0.00 2.50 0.29 1.61 1.01 0.47 -4.56 120.40 121.71 2buf s VAL 267 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2buf s VAL 267 Cb 0.00 -1.93 0.24 0.00 0.00 0.00 0.00 36.38 34.69 2buf s VAL 267 CO 0.00 0.58 1.94 0.74 0.00 0.00 0.00 175.10 178.36 2buf h THR 268 N 4.52 1.22 -1.72 3.92 2.02 -1.64 -3.37 112.91 117.87 2buf h THR 268 Ca -0.43 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.31 2buf h THR 268 Cb 1.14 0.06 -0.23 0.00 -1.74 0.00 0.00 68.15 67.38 2buf h THR 268 CO 0.49 0.23 0.39 -0.94 0.37 0.00 0.00 175.52 176.05 2buf s SER 269 N -6.31 -0.51 -0.03 4.18 1.04 -0.90 -4.38 113.70 106.79 2buf s SER 269 Ca -0.12 0.78 0.07 0.00 0.48 0.00 0.00 55.95 57.16 2buf s SER 269 Cb 0.17 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 67.00 2buf s SER 269 CO 0.80 -0.31 -0.25 0.00 0.98 0.00 0.00 173.24 174.46 2buf s ALA 270 N -0.44 2.18 -0.08 5.32 0.00 0.09 -0.22 121.76 128.61 2buf s ALA 270 Ca -0.01 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2buf s ALA 270 Cb -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2buf s ALA 270 CO 0.00 0.50 -0.20 -1.01 0.00 0.00 0.00 175.76 175.05 2buf s HIS 271 N -0.48 2.19 -0.34 0.00 3.76 0.14 -1.64 115.29 118.93 2buf s HIS 271 Ca 0.06 -0.85 -0.10 0.00 -0.15 0.00 0.00 55.06 54.01 2buf s HIS 271 Cb -0.11 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.10 2buf s HIS 271 CO 0.00 -0.35 0.17 0.42 -0.85 0.00 0.00 174.74 174.13 2buf s ILE 272 N 0.39 4.57 -0.00 0.60 1.01 -0.24 0.25 121.20 127.78 2buf s ILE 272 Ca -0.16 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 59.96 2buf s ILE 272 Cb -0.17 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 2buf s ILE 272 CO 0.07 -0.06 -0.23 -0.63 0.00 0.00 0.00 174.94 174.09 2buf s ILE 273 N 1.59 1.81 -0.58 2.92 1.01 -0.30 -2.22 121.20 125.43 2buf s ILE 273 Ca 0.03 -1.05 -0.27 0.00 0.00 0.00 0.00 60.65 59.36 2buf s ILE 273 Cb -0.18 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 2buf s ILE 273 CO 0.06 0.44 1.73 -0.62 0.00 0.00 0.00 174.94 176.55 2buf s ASP 274 N -0.71 5.56 0.00 3.58 -1.08 -1.23 -1.44 116.67 121.35 2buf s ASP 274 Ca 0.09 0.36 0.05 0.00 -0.52 0.00 0.00 52.55 52.53 2buf s ASP 274 Cb -0.09 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 39.14 2buf s ASP 274 CO -0.00 -2.15 0.90 0.61 0.52 0.00 0.00 175.17 175.06 2buf n GLY 275 N 5.57 -0.67 0.13 2.66 0.00 0.10 -2.73 105.19 110.25 2buf n GLY 275 Ca 0.18 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2buf n GLY 275 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2buf h ARG 276 N 0.00 0.00 -6.63 1.61 3.08 -1.88 -3.45 114.38 107.11 2buf h ARG 276 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2buf h ARG 276 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2buf h ARG 276 CO 0.00 0.00 0.47 0.08 -1.07 0.00 0.00 179.97 179.45 2buf s VAL 277 N -3.25 3.98 0.55 2.04 1.01 -1.11 -5.01 120.40 118.61 2buf s VAL 277 Ca 0.04 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 63.48 2buf s VAL 277 Cb 0.10 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2buf s VAL 277 CO 0.73 0.27 1.25 -2.84 0.00 0.00 0.00 175.10 174.50 2buf s PRO 278 N -0.18 3.18 -0.83 2.72 0.02 -1.26 -2.39 135.00 136.25 2buf s PRO 278 Ca 0.50 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2buf s PRO 278 Cb -0.28 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.11 2buf s PRO 278 CO 0.34 -1.07 0.00 0.09 -0.33 0.00 0.00 177.00 176.02 2buf n ASN 279 N -1.20 -2.49 -0.32 2.53 4.13 -1.26 -4.80 115.26 111.85 2buf n ASN 279 Ca 0.11 0.24 0.22 0.00 1.68 0.00 0.00 54.58 56.83 2buf n ASN 279 Cb 0.48 -2.37 0.43 0.00 -1.54 0.00 0.00 39.78 36.78 2buf n ASN 279 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2buf h ALA 280 N 1.13 1.76 0.32 5.41 0.00 -1.81 -0.13 119.26 125.94 2buf h ALA 280 Ca -0.18 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2buf h ALA 280 Cb 0.76 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2buf h ALA 280 CO 0.25 -0.61 -0.15 0.28 0.00 0.00 0.00 179.25 179.02 2buf h VAL 281 N 0.22 0.67 -0.73 0.00 2.07 -1.87 -2.72 116.25 113.90 2buf h VAL 281 Ca 0.70 -0.59 0.15 0.00 0.82 0.00 0.00 66.70 67.78 2buf h VAL 281 Cb 1.59 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 2buf h VAL 281 CO -0.67 0.11 0.49 -0.07 0.02 0.00 0.00 177.57 177.45 2buf h LEU 282 N -0.77 0.32 -0.50 2.57 3.38 -1.62 -0.46 115.31 118.23 2buf h LEU 282 Ca -0.04 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2buf h LEU 282 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2buf h LEU 282 CO 0.07 0.16 -0.54 -0.07 0.09 0.00 0.00 178.44 178.16 2buf h LEU 283 N 0.34 0.66 -1.77 1.67 3.38 -1.02 -2.46 115.31 116.12 2buf h LEU 283 Ca 0.36 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2buf h LEU 283 Cb 0.90 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2buf h LEU 283 CO -0.10 1.07 -0.11 -0.33 0.09 0.00 0.00 178.44 179.06 2buf h GLU 284 N 0.46 0.00 0.00 1.13 4.39 -0.75 -3.12 114.58 116.69 2buf h GLU 284 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2buf h GLU 284 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2buf h GLU 284 CO 0.10 0.11 -0.34 0.82 -1.16 0.00 0.00 179.01 178.54 2buf h ILE 285 N 0.00 0.00 0.00 3.13 2.04 -1.44 -3.39 117.51 117.85 2buf h ILE 285 Ca -0.00 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.87 2buf h ILE 285 Cb 0.42 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2buf h ILE 285 CO 0.01 0.00 0.12 -0.26 0.00 0.00 0.00 178.15 178.03 2buf h PHE 286 N -0.99 0.00 -3.99 1.37 0.04 -1.52 -3.41 116.94 108.44 2buf h PHE 286 Ca 0.00 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.51 2buf h PHE 286 Cb 0.34 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.35 2buf h PHE 286 CO -0.15 0.00 -0.65 0.95 -0.60 0.00 0.00 178.31 177.86 2buf s THR 287 N -3.68 0.47 -0.31 -1.55 -4.23 -1.18 -4.74 115.64 100.42 2buf s THR 287 Ca -0.03 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 2buf s THR 287 Cb 0.07 -2.18 0.46 0.00 1.34 0.00 0.00 72.50 72.19 2buf s THR 287 CO 0.23 -0.39 1.27 -0.67 -0.54 0.00 0.00 174.62 174.52 2buf n ASP 288 N -0.23 4.77 -4.93 3.99 -0.08 -1.26 -4.75 116.55 114.06 2buf n ASP 288 Ca -0.05 -3.77 -0.25 0.00 -1.51 0.00 0.00 54.79 49.21 2buf n ASP 288 Cb 0.64 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2buf n ASP 288 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2buf s SER 289 N -3.39 6.06 -0.53 1.67 0.15 -1.26 -5.02 113.70 111.38 2buf s SER 289 Ca 0.51 0.63 -0.01 0.00 0.70 0.00 0.00 55.95 57.78 2buf s SER 289 Cb 0.41 -1.94 0.14 0.00 -1.71 0.00 0.00 66.02 62.92 2buf s SER 289 CO 0.02 -0.62 0.32 -0.83 1.20 0.00 0.00 173.24 173.33 2buf s GLY 290 N -4.15 2.32 -0.31 9.45 0.00 -1.26 -4.95 107.32 108.42 2buf s GLY 290 Ca 0.47 -3.02 -0.14 0.00 0.00 0.00 0.00 44.72 42.02 2buf s GLY 290 CO 0.41 1.05 0.33 0.14 0.00 0.00 0.00 173.10 175.04 2buf s VAL 291 N 0.28 5.20 0.00 1.40 1.01 -1.26 -4.97 120.40 122.06 2buf s VAL 291 Ca 0.14 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2buf s VAL 291 Cb -0.22 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2buf s VAL 291 CO -0.03 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2buf n GLY 292 N 4.90 -3.38 3.66 4.51 0.00 -1.26 -4.77 105.19 108.87 2buf n GLY 292 Ca -0.10 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 2buf n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2buf s THR 293 N -0.74 5.06 -0.20 2.61 2.01 -0.94 -4.72 115.64 118.72 2buf s THR 293 Ca 0.00 1.09 -0.01 0.00 0.31 0.00 0.00 61.69 63.08 2buf s THR 293 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.61 2buf s THR 293 CO 0.00 0.15 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.74 2buf s LEU 294 N 1.73 2.54 -0.18 4.42 2.96 -1.26 -1.07 118.68 127.82 2buf s LEU 294 Ca 0.27 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2buf s LEU 294 Cb -0.16 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2buf s LEU 294 CO 0.10 0.00 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.40 2buf s ILE 295 N 1.32 3.03 0.00 6.68 1.01 -0.65 0.75 121.20 133.33 2buf s ILE 295 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2buf s ILE 295 Cb -0.14 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.01 2buf s ILE 295 CO -0.07 0.48 0.00 -1.54 0.00 0.00 0.00 174.94 173.82 2buf n SER 296 N 4.25 0.46 0.00 3.58 3.41 -1.26 -0.73 113.62 123.33 2buf n SER 296 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2buf n SER 296 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2buf n SER 296 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2buf n ASN 297 N 0.00 0.00 0.00 4.04 6.94 -1.26 -4.93 115.26 120.05 2buf n ASN 297 Ca 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.35 2buf n ASN 297 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2buf n ASN 297 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77