#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a9o s LYS 3 N 0.00 3.53 -0.18 1.97 2.20 -1.26 -1.28 119.74 124.72 2a9o s LYS 3 Ca 0.00 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2a9o s LYS 3 Cb 0.00 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2a9o s LYS 3 CO 0.00 0.15 -0.04 0.42 -0.36 0.00 0.00 175.35 175.51 2a9o s ILE 4 N 0.58 3.63 -0.30 5.43 1.01 0.24 -0.18 121.20 131.61 2a9o s ILE 4 Ca -0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 2a9o s ILE 4 Cb -0.15 -2.61 -0.00 0.00 0.01 0.00 0.00 42.46 39.71 2a9o s ILE 4 CO 0.03 0.46 0.71 -0.22 0.00 0.00 0.00 174.94 175.92 2a9o s LEU 5 N 0.85 4.12 -0.37 2.97 2.96 -0.44 -0.78 118.68 127.99 2a9o s LEU 5 Ca -0.01 0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 54.32 2a9o s LEU 5 Cb -0.15 -2.95 0.00 0.00 0.50 0.00 0.00 46.19 43.60 2a9o s LEU 5 CO 0.01 -0.54 0.25 -0.63 -1.32 0.00 0.00 176.35 174.12 2a9o s ILE 6 N 2.78 5.12 -0.39 6.68 1.01 0.27 -0.12 121.20 136.54 2a9o s ILE 6 Ca 0.29 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 2a9o s ILE 6 Cb -0.15 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.63 2a9o s ILE 6 CO 0.12 -0.13 0.24 -0.69 0.00 0.00 0.00 174.94 174.48 2a9o s VAL 7 N 1.68 4.67 -0.27 2.92 1.01 0.98 -1.16 120.40 130.24 2a9o s VAL 7 Ca 0.05 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 2a9o s VAL 7 Cb -0.18 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.61 2a9o s VAL 7 CO 0.09 -0.32 0.69 -0.62 0.00 0.00 0.00 175.10 174.95 2a9o s ASP 8 N 1.73 -0.82 0.21 3.32 -1.08 -0.68 -0.96 116.67 118.38 2a9o s ASP 8 Ca 0.03 1.44 0.26 0.00 -0.52 0.00 0.00 52.55 53.76 2a9o s ASP 8 Cb -0.20 1.39 0.79 0.00 -1.46 0.00 0.00 42.92 43.44 2a9o s ASP 8 CO 0.07 -0.24 1.77 -0.90 0.52 0.00 0.00 175.17 176.38 2a9o n ASP 9 N 3.49 0.84 -4.50 -0.34 5.75 -1.24 -4.35 116.55 116.20 2a9o n ASP 9 Ca -0.17 0.57 -0.43 0.00 -0.01 0.00 0.00 54.79 54.75 2a9o n ASP 9 Cb 0.57 -0.79 -0.07 0.00 -1.03 0.00 0.00 41.12 39.80 2a9o n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2a9o s GLU 10 N -3.10 3.22 0.24 0.11 2.02 -1.26 -4.96 118.70 114.96 2a9o s GLU 10 Ca 0.10 -0.54 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 2a9o s GLU 10 Cb 0.12 -3.99 0.45 0.00 0.10 0.00 0.00 34.13 30.81 2a9o s GLU 10 CO 0.60 -1.06 1.74 -0.22 0.02 0.00 0.00 175.26 176.34 2a9o h LYS 11 N 8.91 0.46 -0.97 1.61 3.64 -1.99 0.24 116.57 128.47 2a9o h LYS 11 Ca -0.26 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 2a9o h LYS 11 Cb 1.10 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 2a9o h LYS 11 CO 0.91 0.31 0.63 -1.35 -2.27 0.00 0.00 179.45 177.67 2a9o h PRO 12 N 0.48 1.16 -0.08 1.90 0.11 -1.97 0.26 132.00 133.86 2a9o h PRO 12 Ca 0.41 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.40 2a9o h PRO 12 Cb 0.60 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2a9o h PRO 12 CO -0.38 0.77 -0.16 0.82 -0.21 0.00 0.00 178.00 178.84 2a9o h ILE 13 N 1.19 1.41 -0.58 4.15 2.04 -1.82 -2.02 117.51 121.89 2a9o h ILE 13 Ca 0.39 -1.45 0.11 0.00 1.00 0.00 0.00 64.86 64.91 2a9o h ILE 13 Cb 0.05 2.17 -0.09 0.00 -0.74 0.00 0.00 36.82 38.21 2a9o h ILE 13 CO -0.13 0.41 0.07 -1.28 0.00 0.00 0.00 178.15 177.22 2a9o h SER 14 N -0.23 -0.11 -0.45 1.72 0.87 -0.55 -2.10 113.55 112.70 2a9o h SER 14 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2a9o h SER 14 Cb 0.74 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2a9o h SER 14 CO 0.03 -0.04 0.29 0.44 -0.53 0.00 0.00 176.83 177.03 2a9o h ASP 15 N 0.19 0.53 -0.33 6.23 3.32 -0.41 -0.36 116.42 125.59 2a9o h ASP 15 Ca 0.30 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.36 2a9o h ASP 15 Cb 0.46 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2a9o h ASP 15 CO -0.43 0.40 0.12 0.40 -1.72 0.00 0.00 179.24 178.00 2a9o h ILE 16 N 0.61 0.91 -0.30 0.35 2.04 -0.89 0.49 117.51 120.72 2a9o h ILE 16 Ca 0.16 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 2a9o h ILE 16 Cb -0.05 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2a9o h ILE 16 CO -0.03 0.05 -0.07 0.40 0.00 0.00 0.00 178.15 178.49 2a9o h ILE 17 N 0.26 1.28 -0.27 -0.67 2.04 -1.18 -2.29 117.51 116.68 2a9o h ILE 17 Ca 0.15 -1.11 0.05 0.00 1.00 0.00 0.00 64.86 64.95 2a9o h ILE 17 Cb 0.12 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2a9o h ILE 17 CO -0.15 0.35 0.01 0.50 0.00 0.00 0.00 178.15 178.86 2a9o h LYS 18 N 0.34 0.09 -0.16 2.37 3.64 -0.91 0.76 116.57 122.70 2a9o h LYS 18 Ca 0.07 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2a9o h LYS 18 Cb 0.56 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 2a9o h LYS 18 CO 0.03 0.06 -0.25 0.35 -2.27 0.00 0.00 179.45 177.36 2a9o h PHE 19 N 0.09 -0.68 -0.59 1.91 3.57 -0.76 -0.11 116.94 120.37 2a9o h PHE 19 Ca 0.13 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2a9o h PHE 19 Cb 0.17 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2a9o h PHE 19 CO -0.20 -0.33 0.15 -0.91 -2.23 0.00 0.00 178.31 174.79 2a9o h ASN 20 N -0.30 0.88 -0.17 0.41 -0.26 -1.19 -1.88 115.58 113.07 2a9o h ASN 20 Ca 0.11 -0.23 -0.12 0.00 -0.56 0.00 0.00 56.30 55.50 2a9o h ASN 20 Cb 0.47 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 2a9o h ASN 20 CO -0.34 0.88 -0.30 0.24 -1.06 0.00 0.00 177.43 176.85 2a9o h MET 21 N 0.84 0.67 -0.13 0.81 2.86 -0.59 -2.50 114.93 116.88 2a9o h MET 21 Ca 0.19 -0.30 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2a9o h MET 21 Cb 0.33 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2a9o h MET 21 CO -0.00 0.89 -0.00 1.15 1.06 0.00 0.00 176.91 180.00 2a9o h THR 22 N 0.57 0.90 -0.20 2.22 2.02 -0.90 -1.61 112.91 115.91 2a9o h THR 22 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2a9o h THR 22 Cb 0.80 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2a9o h THR 22 CO 0.07 0.01 0.13 0.50 0.37 0.00 0.00 175.52 176.59 2a9o h LYS 23 N 0.04 0.27 0.00 6.66 3.64 -1.22 0.44 116.57 126.40 2a9o h LYS 23 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2a9o h LYS 23 Cb 0.08 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2a9o h LYS 23 CO -0.11 0.19 0.00 -1.91 -2.27 0.00 0.00 179.45 175.35 2a9o n GLU 24 N -4.50 0.03 -0.07 1.90 4.07 -0.95 -4.91 120.64 116.21 2a9o n GLU 24 Ca 0.00 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2a9o n GLU 24 Cb 0.08 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 2a9o n GLU 24 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a9o n GLY 25 N 0.58 0.63 3.82 8.31 0.00 0.15 -5.07 105.19 113.60 2a9o n GLY 25 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2a9o n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a9o s TYR 26 N -2.11 3.50 0.01 1.61 2.02 -0.64 -4.57 117.35 117.17 2a9o s TYR 26 Ca 0.00 1.47 -0.30 0.00 -0.37 0.00 0.00 57.07 57.87 2a9o s TYR 26 Cb 0.00 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 2a9o s TYR 26 CO 0.00 0.14 1.10 -2.00 -1.57 0.00 0.00 175.55 173.22 2a9o s GLU 27 N -2.55 4.47 -0.14 -0.62 2.12 -0.40 -4.25 118.70 117.31 2a9o s GLU 27 Ca 0.52 1.60 -0.03 0.00 0.36 0.00 0.00 54.97 57.42 2a9o s GLU 27 Cb -0.13 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 2a9o s GLU 27 CO 0.19 -0.21 -0.04 0.08 -0.54 0.00 0.00 175.26 174.73 2a9o s VAL 28 N 1.28 3.86 0.08 3.70 1.01 -1.26 -0.59 120.40 128.48 2a9o s VAL 28 Ca 0.55 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.24 2a9o s VAL 28 Cb -0.25 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2a9o s VAL 28 CO 0.27 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.99 2a9o s VAL 29 N 0.16 2.66 0.09 2.92 1.01 0.04 -4.97 120.40 122.31 2a9o s VAL 29 Ca -0.02 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 60.63 2a9o s VAL 29 Cb -0.14 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2a9o s VAL 29 CO 0.03 0.22 -0.20 0.42 0.00 0.00 0.00 175.10 175.56 2a9o s THR 30 N -1.01 1.64 0.01 3.92 -4.23 -1.26 -0.57 115.64 114.14 2a9o s THR 30 Ca 0.15 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2a9o s THR 30 Cb -0.10 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 2a9o s THR 30 CO 0.07 -0.02 -0.04 0.00 -0.54 0.00 0.00 174.62 174.09 2a9o s ALA 31 N -1.09 0.30 -0.96 3.99 0.00 -0.31 -4.94 121.76 118.76 2a9o s ALA 31 Ca 0.06 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.71 2a9o s ALA 31 Cb -0.10 0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.16 2a9o s ALA 31 CO 0.03 -0.01 0.91 1.19 0.00 0.00 0.00 175.76 177.88 2a9o n PHE 32 N 2.29 0.11 -3.89 0.00 3.72 -1.26 -1.69 117.46 116.74 2a9o n PHE 32 Ca -0.18 -0.16 -0.09 0.00 -0.05 0.00 0.00 57.45 56.98 2a9o n PHE 32 Cb 0.57 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.09 2a9o n PHE 32 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2a9o s ASN 33 N -0.80 -0.02 0.36 4.37 2.20 -1.26 -3.71 114.94 116.08 2a9o s ASN 33 Ca 0.12 -0.93 0.10 0.00 -0.94 0.00 0.00 52.86 51.21 2a9o s ASN 33 Cb 0.08 0.74 0.70 0.00 -2.00 0.00 0.00 41.25 40.77 2a9o s ASN 33 CO 0.11 -1.42 1.84 1.23 -2.94 0.00 0.00 177.10 175.93 2a9o h GLY 34 N 2.06 0.17 0.67 0.45 0.00 -1.31 0.50 103.07 105.61 2a9o h GLY 34 Ca -0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2a9o h GLY 34 CO 0.33 0.11 -0.05 -0.09 0.00 0.00 0.00 176.54 176.84 2a9o h ARG 35 N 0.14 -0.15 -1.00 4.80 2.43 -1.82 -2.17 114.38 116.62 2a9o h ARG 35 Ca 0.02 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 2a9o h ARG 35 Cb 0.55 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.05 2a9o h ARG 35 CO 0.04 0.18 0.63 0.93 -1.51 0.00 0.00 179.97 180.24 2a9o h GLU 36 N -0.49 0.92 0.06 0.20 5.08 -1.89 -0.84 114.58 117.61 2a9o h GLU 36 Ca -0.02 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2a9o h GLU 36 Cb 0.40 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2a9o h GLU 36 CO 0.03 0.61 -0.14 0.00 -1.00 0.00 0.00 179.01 178.50 2a9o h ALA 37 N 1.56 -0.21 -0.43 3.43 0.00 -0.74 0.32 119.26 123.19 2a9o h ALA 37 Ca 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 2a9o h ALA 37 Cb 0.57 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2a9o h ALA 37 CO -0.28 -0.65 0.15 -0.07 0.00 0.00 0.00 179.25 178.40 2a9o h LEU 38 N -0.27 0.60 -0.50 0.00 3.38 -1.05 -0.13 115.31 117.34 2a9o h LEU 38 Ca 0.03 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2a9o h LEU 38 Cb 0.30 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2a9o h LEU 38 CO -0.10 0.63 0.27 -0.33 0.09 0.00 0.00 178.44 179.00 2a9o h GLU 39 N 0.55 0.51 -0.53 1.13 5.08 -0.90 -1.50 114.58 118.92 2a9o h GLU 39 Ca 0.14 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 2a9o h GLU 39 Cb 0.22 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2a9o h GLU 39 CO -0.01 0.34 -0.11 1.96 -1.00 0.00 0.00 179.01 180.18 2a9o h GLN 40 N 0.52 1.02 -0.34 2.33 1.08 -0.25 -1.19 115.11 118.28 2a9o h GLN 40 Ca 0.22 -0.38 0.06 0.00 -1.45 0.00 0.00 58.65 57.10 2a9o h GLN 40 Cb 0.10 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.41 2a9o h GLN 40 CO -0.14 1.07 -0.01 0.35 -0.95 0.00 0.00 178.83 179.15 2a9o h PHE 41 N 0.89 -0.05 -0.40 2.96 3.57 -0.76 0.23 116.94 123.39 2a9o h PHE 41 Ca 0.14 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 2a9o h PHE 41 Cb 0.68 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2a9o h PHE 41 CO 0.05 -0.08 -0.09 0.93 -2.23 0.00 0.00 178.31 176.89 2a9o h GLU 42 N 0.08 0.76 -0.04 1.11 4.39 -1.06 -0.44 114.58 119.38 2a9o h GLU 42 Ca 0.17 -0.29 -0.19 0.00 0.34 0.00 0.00 59.36 59.39 2a9o h GLU 42 Cb 0.23 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2a9o h GLU 42 CO -0.29 0.89 -0.73 0.00 -1.16 0.00 0.00 179.01 177.73 2a9o h ALA 43 N 0.85 0.15 0.00 3.43 0.00 -1.01 -3.37 119.26 119.30 2a9o h ALA 43 Ca 0.10 -0.60 -0.20 0.00 0.00 0.00 0.00 54.91 54.21 2a9o h ALA 43 Cb 0.61 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2a9o h ALA 43 CO 0.04 0.49 -1.61 0.39 0.00 0.00 0.00 179.25 178.56 2a9o n GLU 44 N -4.08 0.63 -3.62 0.00 -0.58 0.80 -5.01 120.64 108.77 2a9o n GLU 44 Ca -0.10 0.19 -0.26 0.00 -0.42 0.00 0.00 57.16 56.57 2a9o n GLU 44 Cb 0.73 -1.76 0.03 0.00 -0.57 0.00 0.00 31.44 29.87 2a9o n GLU 44 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2a9o n GLN 45 N -2.86 -1.24 -1.03 3.49 6.02 -0.18 -4.92 117.38 116.67 2a9o n GLN 45 Ca -0.13 0.67 -0.32 0.00 -0.01 0.00 0.00 57.00 57.21 2a9o n GLN 45 Cb 0.90 -3.92 0.13 0.00 1.02 0.00 0.00 30.24 28.37 2a9o n GLN 45 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a9o s PRO 46 N -5.35 1.58 0.34 -1.09 0.04 -1.26 -4.92 135.00 124.34 2a9o s PRO 46 Ca 0.30 1.55 0.19 0.00 0.04 0.00 0.00 61.00 63.08 2a9o s PRO 46 Cb -0.11 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.82 2a9o s PRO 46 CO 0.86 -2.21 1.49 -0.44 0.04 0.00 0.00 177.00 176.73 2a9o h ASP 47 N -1.25 0.00 -4.35 6.66 5.19 -0.92 -3.47 116.42 118.28 2a9o h ASP 47 Ca -0.45 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.90 2a9o h ASP 47 Cb 1.27 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.57 2a9o h ASP 47 CO 0.46 0.26 0.06 -0.51 -3.12 0.00 0.00 179.24 176.39 2a9o s ILE 48 N -3.09 0.00 -0.12 0.35 2.07 -1.11 -4.16 121.20 115.16 2a9o s ILE 48 Ca 0.05 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 2a9o s ILE 48 Cb 0.06 -0.91 -0.02 0.00 0.13 0.00 0.00 42.46 41.73 2a9o s ILE 48 CO 0.71 -0.02 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.97 2a9o s ILE 49 N -0.24 3.10 -0.22 2.00 1.01 -0.39 -1.33 121.20 125.13 2a9o s ILE 49 Ca -0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 2a9o s ILE 49 Cb -0.03 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2a9o s ILE 49 CO 0.04 0.53 0.10 -0.63 0.00 0.00 0.00 174.94 174.98 2a9o s ILE 50 N 0.18 4.81 -0.27 2.92 1.01 0.82 -0.47 121.20 130.21 2a9o s ILE 50 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 2a9o s ILE 50 Cb -0.15 -3.22 0.08 0.00 0.01 0.00 0.00 42.46 39.18 2a9o s ILE 50 CO 0.05 0.38 0.05 -0.22 0.00 0.00 0.00 174.94 175.20 2a9o s LEU 51 N 1.02 2.19 0.79 2.97 2.96 0.58 -0.01 118.68 129.18 2a9o s LEU 51 Ca 0.05 -1.39 -0.12 0.00 -0.22 0.00 0.00 54.13 52.45 2a9o s LEU 51 Cb -0.14 -0.90 0.07 0.00 0.50 0.00 0.00 46.19 45.72 2a9o s LEU 51 CO 0.03 -0.35 1.14 -0.62 -1.32 0.00 0.00 176.35 175.23 2a9o s ASP 52 N 1.59 4.02 -0.16 3.68 2.15 -0.14 -1.15 116.67 126.66 2a9o s ASP 52 Ca 0.04 2.09 -0.08 0.00 0.43 0.00 0.00 52.55 55.04 2a9o s ASP 52 Cb -0.18 -2.56 -0.07 0.00 -0.30 0.00 0.00 42.92 39.82 2a9o s ASP 52 CO -0.17 -2.37 -0.21 0.18 -0.17 0.00 0.00 175.17 172.44 2a9o n LEU 53 N -3.38 1.19 -4.55 -1.34 4.77 -1.26 -4.05 117.00 108.37 2a9o n LEU 53 Ca 0.11 0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.90 2a9o n LEU 53 Cb 0.52 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2a9o n LEU 53 CO 0.50 0.35 1.35 -0.04 -1.33 0.00 0.00 177.39 178.22 2a9o s MET 54 N -2.30 3.16 0.10 3.23 -1.94 -1.26 -0.96 119.30 119.33 2a9o s MET 54 Ca -0.23 -0.40 0.07 0.00 -1.71 0.00 0.00 55.69 53.43 2a9o s MET 54 Cb 0.09 -4.68 -0.03 0.00 2.01 0.00 0.00 34.83 32.21 2a9o s MET 54 CO 0.29 -2.40 -0.19 -0.51 -0.01 0.00 0.00 175.02 172.20 2a9o s LEU 55 N 6.49 2.31 0.86 -0.03 1.43 -1.26 -4.73 118.68 123.74 2a9o s LEU 55 Ca 0.47 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2a9o s LEU 55 Cb -0.06 -0.79 0.11 0.00 0.03 0.00 0.00 46.19 45.48 2a9o s LEU 55 CO 0.06 0.02 1.16 -2.84 0.23 0.00 0.00 176.35 174.98 2a9o s PRO 56 N -1.95 1.40 0.00 1.29 0.02 -1.26 -4.23 135.00 130.27 2a9o s PRO 56 Ca 0.05 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.66 2a9o s PRO 56 Cb -0.10 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2a9o s PRO 56 CO 0.04 -2.36 0.00 0.39 -0.33 0.00 0.00 177.00 174.74 2a9o n GLU 57 N -3.79 0.00 -3.73 5.54 -0.58 -1.26 -1.92 120.64 114.91 2a9o n GLU 57 Ca 0.12 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.72 2a9o n GLU 57 Cb 0.52 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.24 2a9o n GLU 57 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2a9o s ILE 58 N 0.00 -0.09 0.73 -3.67 1.01 -1.26 -4.90 121.20 113.01 2a9o s ILE 58 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 2a9o s ILE 58 Cb 0.00 -0.27 0.03 0.00 0.01 0.00 0.00 42.46 42.23 2a9o s ILE 58 CO 0.00 0.09 1.07 1.51 0.00 0.00 0.00 174.94 177.61 2a9o s ASP 59 N 1.40 5.07 0.39 3.58 1.47 -1.26 -3.09 116.67 124.23 2a9o s ASP 59 Ca -0.07 1.59 0.12 0.00 1.18 0.00 0.00 52.55 55.37 2a9o s ASP 59 Cb -0.12 -2.42 0.92 0.00 -0.34 0.00 0.00 42.92 40.97 2a9o s ASP 59 CO -0.06 -1.64 1.91 1.23 0.68 0.00 0.00 175.17 177.29 2a9o h GLY 60 N -0.86 0.91 0.89 2.12 0.00 -1.19 -0.67 103.07 104.27 2a9o h GLY 60 Ca -0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2a9o h GLY 60 CO 0.56 0.10 0.08 1.41 0.00 0.00 0.00 176.54 178.69 2a9o h LEU 61 N 0.56 0.37 -0.79 3.11 3.38 -1.87 0.17 115.31 120.24 2a9o h LEU 61 Ca 0.38 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2a9o h LEU 61 Cb 0.70 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2a9o h LEU 61 CO -0.15 0.48 0.52 -0.33 0.09 0.00 0.00 178.44 179.05 2a9o h GLU 62 N 0.25 1.03 0.10 1.13 4.39 -1.83 0.23 114.58 119.87 2a9o h GLU 62 Ca 0.08 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.73 2a9o h GLU 62 Cb 0.24 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2a9o h GLU 62 CO -0.00 0.68 -0.13 0.28 -1.16 0.00 0.00 179.01 178.67 2a9o h VAL 63 N 1.06 0.69 -0.21 3.13 2.07 -0.77 0.22 116.25 122.44 2a9o h VAL 63 Ca 0.30 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.84 2a9o h VAL 63 Cb -0.10 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2a9o h VAL 63 CO -0.07 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.59 2a9o h ALA 64 N 0.60 0.23 -0.54 1.67 0.00 -0.27 0.83 119.26 121.77 2a9o h ALA 64 Ca 0.02 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2a9o h ALA 64 Cb 0.28 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2a9o h ALA 64 CO -0.06 -0.35 0.18 -0.22 0.00 0.00 0.00 179.25 178.79 2a9o h LYS 65 N 0.17 0.33 -0.10 0.00 3.64 -0.39 -0.08 116.57 120.15 2a9o h LYS 65 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2a9o h LYS 65 Cb 0.06 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2a9o h LYS 65 CO -0.09 0.22 0.01 1.15 -2.27 0.00 0.00 179.45 178.47 2a9o h THR 66 N 0.34 1.23 -0.93 1.00 2.02 -0.14 -2.81 112.91 113.63 2a9o h THR 66 Ca 0.27 -0.74 0.08 0.00 0.77 0.00 0.00 66.41 66.80 2a9o h THR 66 Cb 0.33 1.54 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 2a9o h THR 66 CO -0.29 0.21 0.58 0.40 0.37 0.00 0.00 175.52 176.78 2a9o h ILE 67 N -0.09 0.99 0.00 3.11 2.04 -0.55 -1.58 117.51 121.43 2a9o h ILE 67 Ca 0.03 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2a9o h ILE 67 Cb 0.32 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2a9o h ILE 67 CO 0.00 0.18 0.00 0.03 0.00 0.00 0.00 178.15 178.37 2a9o h ARG 68 N 1.00 0.00 -0.34 2.37 2.47 -0.75 -0.94 114.38 118.18 2a9o h ARG 68 Ca 0.43 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 59.19 2a9o h ARG 68 Cb 0.29 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 2a9o h ARG 68 CO -0.21 0.00 0.23 0.87 0.56 0.00 0.00 179.97 181.42 2a9o h LYS 69 N 0.00 0.26 0.00 0.04 1.79 -1.18 -3.34 116.57 114.15 2a9o h LYS 69 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2a9o h LYS 69 Cb 0.21 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2a9o h LYS 69 CO 0.00 0.17 -0.83 0.25 -1.08 0.00 0.00 179.45 177.96 2a9o n THR 70 N -4.48 0.00 -3.93 -0.16 -2.24 -0.62 -5.09 114.28 97.76 2a9o n THR 70 Ca 0.04 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 2a9o n THR 70 Cb 0.22 0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 68.90 2a9o n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2a9o s SER 71 N -1.82 0.12 -0.34 3.42 0.15 -0.45 -5.01 113.70 109.76 2a9o s SER 71 Ca 0.00 -0.27 0.09 0.00 0.70 0.00 0.00 55.95 56.47 2a9o s SER 71 Cb 0.00 0.08 0.69 0.00 -1.71 0.00 0.00 66.02 65.08 2a9o s SER 71 CO 0.00 -0.19 1.77 -1.54 1.20 0.00 0.00 173.24 174.48 2a9o n SER 72 N 2.17 4.25 -4.74 5.45 3.41 -1.26 -4.20 113.62 118.71 2a9o n SER 72 Ca -0.19 -3.37 -0.42 0.00 -0.26 0.00 0.00 58.87 54.63 2a9o n SER 72 Cb 0.57 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 2a9o n SER 72 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2a9o n VAL 73 N -0.53 0.98 -1.66 -3.33 3.14 -1.26 -4.86 118.33 110.81 2a9o n VAL 73 Ca 0.43 -0.24 -0.46 0.00 -2.96 0.00 0.00 64.34 61.11 2a9o n VAL 73 Cb 1.38 -1.94 -0.03 0.00 -1.06 0.00 0.00 33.84 32.19 2a9o n VAL 73 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2a9o n PRO 74 N 2.22 1.92 -4.32 1.45 -0.02 -1.26 -4.89 135.00 130.10 2a9o n PRO 74 Ca 0.09 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 2a9o n PRO 74 Cb 0.36 -2.35 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 2a9o n PRO 74 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2a9o s ILE 75 N 0.15 1.61 -0.39 4.25 1.01 -1.26 -1.26 121.20 125.31 2a9o s ILE 75 Ca 0.72 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 2a9o s ILE 75 Cb -0.69 -1.47 0.06 0.00 0.01 0.00 0.00 42.46 40.36 2a9o s ILE 75 CO 0.47 0.46 0.21 -0.22 0.00 0.00 0.00 174.94 175.87 2a9o s LEU 76 N 1.16 4.87 0.28 2.97 0.20 0.38 -0.14 118.68 128.40 2a9o s LEU 76 Ca -0.02 -1.34 -0.29 0.00 0.69 0.00 0.00 54.13 53.16 2a9o s LEU 76 Cb -0.14 -1.96 -0.09 0.00 -0.43 0.00 0.00 46.19 43.57 2a9o s LEU 76 CO -0.05 -0.46 1.08 -0.04 -0.29 0.00 0.00 176.35 176.59 2a9o s MET 77 N 1.43 4.63 -0.17 1.98 -1.94 -0.32 -0.31 119.30 124.60 2a9o s MET 77 Ca 0.02 1.75 -0.04 0.00 -1.71 0.00 0.00 55.69 55.71 2a9o s MET 77 Cb -0.21 -3.15 0.06 0.00 2.01 0.00 0.00 34.83 33.53 2a9o s MET 77 CO 0.03 0.22 0.08 -1.17 -0.01 0.00 0.00 175.02 174.16 2a9o s LEU 78 N -1.51 0.50 -0.03 -0.03 2.96 -0.30 -0.26 118.68 120.00 2a9o s LEU 78 Ca 0.45 -0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 53.62 2a9o s LEU 78 Cb -0.31 -0.31 0.02 0.00 0.50 0.00 0.00 46.19 46.10 2a9o s LEU 78 CO 0.39 -0.33 0.31 -0.55 -1.32 0.00 0.00 176.35 174.85 2a9o s SER 79 N 2.08 -0.21 0.50 3.68 0.15 -0.62 -3.67 113.70 115.60 2a9o s SER 79 Ca 0.02 0.17 0.24 0.00 0.70 0.00 0.00 55.95 57.08 2a9o s SER 79 Cb -0.16 0.37 1.30 0.00 -1.71 0.00 0.00 66.02 65.82 2a9o s SER 79 CO -0.08 -0.39 2.03 0.00 1.20 0.00 0.00 173.24 176.00 2a9o h ALA 80 N 4.15 1.36 -1.96 5.45 0.00 -1.88 0.41 119.26 126.78 2a9o h ALA 80 Ca -0.29 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 53.90 2a9o h ALA 80 Cb 1.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2a9o h ALA 80 CO 0.38 0.19 1.33 0.15 0.00 0.00 0.00 179.25 181.30 2a9o s LYS 81 N -4.26 3.38 -0.04 0.00 1.02 -1.26 -4.69 119.74 113.89 2a9o s LYS 81 Ca -0.03 1.75 0.05 0.00 0.02 0.00 0.00 55.97 57.76 2a9o s LYS 81 Cb 0.14 -4.23 0.08 0.00 -0.52 0.00 0.00 37.83 33.29 2a9o s LYS 81 CO 0.62 -1.81 1.01 -0.40 -0.92 0.00 0.00 175.35 173.85 2a9o n ASP 82 N 10.35 1.95 -4.83 2.83 5.75 -1.26 -4.82 116.55 126.52 2a9o n ASP 82 Ca 0.25 -2.24 -0.31 0.00 -0.01 0.00 0.00 54.79 52.48 2a9o n ASP 82 Cb 0.46 -0.12 0.05 0.00 -1.03 0.00 0.00 41.12 40.48 2a9o n ASP 82 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a9o s SER 83 N -1.45 5.31 0.22 -1.12 1.04 -1.26 -4.86 113.70 111.57 2a9o s SER 83 Ca 0.09 1.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.92 2a9o s SER 83 Cb 0.08 -2.35 0.31 0.00 0.10 0.00 0.00 66.02 64.16 2a9o s SER 83 CO 0.01 -1.47 1.77 -0.08 0.98 0.00 0.00 173.24 174.45 2a9o h GLU 84 N -0.74 0.52 -0.50 4.02 4.81 -2.00 -2.06 114.58 118.64 2a9o h GLU 84 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2a9o h GLU 84 Cb 1.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2a9o h GLU 84 CO 0.59 0.34 0.32 0.35 -0.73 0.00 0.00 179.01 179.88 2a9o h PHE 85 N 0.54 0.65 -0.11 0.92 3.57 -1.99 -1.06 116.94 119.46 2a9o h PHE 85 Ca 0.33 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.84 2a9o h PHE 85 Cb 0.36 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2a9o h PHE 85 CO -0.13 0.43 0.05 -0.44 -2.23 0.00 0.00 178.31 176.00 2a9o h ASP 86 N 0.68 0.08 -0.06 0.41 3.45 -1.77 -0.37 116.42 118.83 2a9o h ASP 86 Ca 0.18 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.64 2a9o h ASP 86 Cb -0.04 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 38.72 2a9o h ASP 86 CO -0.04 0.06 0.02 0.11 -1.57 0.00 0.00 179.24 177.83 2a9o h LYS 87 N 0.11 0.10 -0.28 3.56 1.57 -1.27 -0.52 116.57 119.84 2a9o h LYS 87 Ca 0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2a9o h LYS 87 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2a9o h LYS 87 CO -0.03 0.24 0.16 0.28 -0.57 0.00 0.00 179.45 179.52 2a9o h VAL 88 N -0.06 1.12 -0.57 0.50 2.07 -1.09 -0.37 116.25 117.85 2a9o h VAL 88 Ca 0.02 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2a9o h VAL 88 Cb 0.18 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2a9o h VAL 88 CO -0.00 0.12 0.11 -0.29 0.02 0.00 0.00 177.57 177.52 2a9o h ILE 89 N 0.34 1.25 0.08 4.57 6.09 -0.97 0.07 117.51 128.94 2a9o h ILE 89 Ca 0.10 -0.95 0.02 0.00 -1.37 0.00 0.00 64.86 62.66 2a9o h ILE 89 Cb 0.05 0.77 -0.04 0.00 0.47 0.00 0.00 36.82 38.07 2a9o h ILE 89 CO -0.02 0.35 -0.34 1.23 -3.07 0.00 0.00 178.15 176.30 2a9o h GLY 90 N 0.83 -0.63 1.04 8.18 0.00 -0.86 0.19 103.07 111.82 2a9o h GLY 90 Ca 0.17 0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.85 2a9o h GLY 90 CO 0.01 -0.25 0.20 1.41 0.00 0.00 0.00 176.54 177.91 2a9o h LEU 91 N -0.54 1.00 -1.04 3.11 3.38 -0.81 -2.48 115.31 117.94 2a9o h LEU 91 Ca 0.04 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2a9o h LEU 91 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2a9o h LEU 91 CO -0.23 0.95 -0.36 -0.33 0.09 0.00 0.00 178.44 178.57 2a9o h GLU 92 N 1.00 0.23 0.00 1.13 5.08 -0.60 -1.09 114.58 120.34 2a9o h GLU 92 Ca 0.22 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2a9o h GLU 92 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2a9o h GLU 92 CO -0.00 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.85 2a9o n LEU 93 N -4.07 0.47 0.00 1.33 4.32 0.63 -4.88 117.00 114.80 2a9o n LEU 93 Ca -0.01 0.63 0.00 0.00 -0.02 0.00 0.00 56.01 56.60 2a9o n LEU 93 Cb 0.44 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 2a9o n LEU 93 CO 0.41 -0.52 0.00 0.61 -1.22 0.00 0.00 177.39 176.67 2a9o n GLY 94 N -0.17 0.42 3.78 -0.72 0.00 -0.41 -4.43 105.19 103.65 2a9o n GLY 94 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2a9o n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a9o s ALA 95 N -1.35 3.56 -0.25 4.61 0.00 -0.95 -4.73 121.76 122.64 2a9o s ALA 95 Ca 0.00 1.53 0.21 0.00 0.00 0.00 0.00 51.96 53.70 2a9o s ALA 95 Cb 0.00 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.57 2a9o s ALA 95 CO 0.00 -1.00 1.13 -0.44 0.00 0.00 0.00 175.76 175.45 2a9o h ASP 96 N 3.04 0.00 -5.03 0.00 3.32 -0.87 -3.41 116.42 113.48 2a9o h ASP 96 Ca -0.51 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2a9o h ASP 96 Cb 1.24 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.69 2a9o h ASP 96 CO 0.64 0.12 0.15 -0.62 -1.72 0.00 0.00 179.24 177.81 2a9o s ASP 97 N -5.64 -0.40 -0.19 6.45 -1.08 -1.11 -5.03 116.67 109.67 2a9o s ASP 97 Ca 0.01 -0.27 -0.05 0.00 -0.52 0.00 0.00 52.55 51.72 2a9o s ASP 97 Cb 0.08 0.61 0.09 0.00 -1.46 0.00 0.00 42.92 42.24 2a9o s ASP 97 CO 0.77 -1.06 0.36 -0.47 0.52 0.00 0.00 175.17 175.29 2a9o s TYR 98 N -3.82 -0.67 -0.00 -5.34 6.14 -1.26 -1.18 117.35 111.22 2a9o s TYR 98 Ca 0.05 1.18 0.08 0.00 0.64 0.00 0.00 57.07 59.02 2a9o s TYR 98 Cb -0.02 0.12 -0.02 0.00 0.42 0.00 0.00 41.96 42.46 2a9o s TYR 98 CO -0.06 -0.49 -0.25 0.08 0.64 0.00 0.00 175.55 175.46 2a9o s VAL 99 N 2.53 2.14 0.10 3.14 1.01 0.64 -4.97 120.40 124.98 2a9o s VAL 99 Ca 0.02 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.84 2a9o s VAL 99 Cb -0.13 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2a9o s VAL 99 CO -0.12 0.51 0.21 0.42 0.00 0.00 0.00 175.10 176.12 2a9o s THR 100 N -0.68 5.17 0.01 3.92 -4.23 -1.26 -1.59 115.64 116.97 2a9o s THR 100 Ca 0.11 -0.59 -0.17 0.00 -1.18 0.00 0.00 61.69 59.86 2a9o s THR 100 Cb -0.10 -3.57 -0.06 0.00 1.34 0.00 0.00 72.50 70.11 2a9o s THR 100 CO 0.00 0.05 0.47 -0.54 -0.54 0.00 0.00 174.62 174.06 2a9o s LYS 101 N -2.76 4.07 0.49 3.99 1.02 0.14 -3.57 119.74 123.13 2a9o s LYS 101 Ca 0.34 0.53 -0.19 0.00 0.02 0.00 0.00 55.97 56.66 2a9o s LYS 101 Cb -0.12 -3.26 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 2a9o s LYS 101 CO 0.27 0.60 1.02 -1.25 -0.92 0.00 0.00 175.35 175.07 2a9o s PRO 102 N -0.85 3.82 0.24 -1.68 0.04 -1.26 -4.55 135.00 130.75 2a9o s PRO 102 Ca 0.26 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.64 2a9o s PRO 102 Cb -0.17 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2a9o s PRO 102 CO 0.15 -0.40 -0.13 -0.59 0.04 0.00 0.00 177.00 176.07 2a9o s PHE 103 N -2.14 1.86 -0.13 0.56 -0.12 -1.23 -5.12 117.98 111.66 2a9o s PHE 103 Ca 0.65 -0.57 -0.20 0.00 -0.05 0.00 0.00 56.93 56.76 2a9o s PHE 103 Cb -0.14 -0.91 -0.04 0.00 -0.63 0.00 0.00 43.02 41.30 2a9o s PHE 103 CO 0.22 0.39 0.55 0.45 -0.05 0.00 0.00 175.22 176.78 2a9o s SER 104 N -3.38 6.73 0.20 1.98 0.15 -1.26 -4.97 113.70 113.14 2a9o s SER 104 Ca 0.25 0.88 -0.11 0.00 0.70 0.00 0.00 55.95 57.67 2a9o s SER 104 Cb -0.00 -2.32 0.16 0.00 -1.71 0.00 0.00 66.02 62.15 2a9o s SER 104 CO 0.09 -0.08 1.83 0.78 1.20 0.00 0.00 173.24 177.06 2a9o h ASN 105 N 6.93 0.61 -0.54 5.45 2.35 -1.99 0.10 115.58 128.48 2a9o h ASN 105 Ca -0.39 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.33 2a9o h ASN 105 Cb 1.17 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 2a9o h ASN 105 CO 0.76 0.42 0.18 -0.09 -1.65 0.00 0.00 177.43 177.05 2a9o h ARG 106 N 0.74 0.84 -0.50 0.81 2.43 -1.99 -0.47 114.38 116.23 2a9o h ARG 106 Ca 0.25 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2a9o h ARG 106 Cb 0.04 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2a9o h ARG 106 CO -0.11 0.76 0.08 1.49 -1.51 0.00 0.00 179.97 180.67 2a9o h GLU 107 N 0.75 0.84 -0.14 0.20 4.81 -1.90 -0.90 114.58 118.23 2a9o h GLU 107 Ca 0.18 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2a9o h GLU 107 Cb 0.27 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 2a9o h GLU 107 CO -0.01 0.83 -0.12 1.25 -0.73 0.00 0.00 179.01 180.24 2a9o h LEU 108 N 0.71 -0.38 -0.59 1.64 6.46 -0.74 0.14 115.31 122.55 2a9o h LEU 108 Ca 0.15 0.08 0.12 0.00 -0.12 0.00 0.00 57.88 58.11 2a9o h LEU 108 Cb 0.41 0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 40.43 2a9o h LEU 108 CO 0.01 -0.16 0.01 1.56 -0.62 0.00 0.00 178.44 179.24 2a9o h GLN 109 N -0.14 0.12 -0.67 1.25 1.08 -0.83 -0.95 115.11 114.98 2a9o h GLN 109 Ca 0.09 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 2a9o h GLN 109 Cb 0.27 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 2a9o h GLN 109 CO -0.22 0.08 0.17 0.00 -0.95 0.00 0.00 178.83 177.91 2a9o h ALA 110 N 1.53 1.03 -0.10 3.87 0.00 -0.45 -1.26 119.26 123.88 2a9o h ALA 110 Ca 0.31 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2a9o h ALA 110 Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2a9o h ALA 110 CO -0.49 0.64 -0.63 0.00 0.00 0.00 0.00 179.25 178.77 2a9o h ARG 111 N 1.01 0.36 -0.01 0.00 3.08 -0.56 0.30 114.38 118.57 2a9o h ARG 111 Ca 0.21 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2a9o h ARG 111 Cb 0.34 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2a9o h ARG 111 CO -0.00 0.87 0.00 0.28 -1.07 0.00 0.00 179.97 180.06 2a9o h VAL 112 N 0.26 1.14 -0.43 2.04 2.07 -0.95 0.39 116.25 120.78 2a9o h VAL 112 Ca -0.01 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2a9o h VAL 112 Cb 1.16 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 2a9o h VAL 112 CO 0.11 0.11 0.15 0.50 0.02 0.00 0.00 177.57 178.46 2a9o h LYS 113 N -0.15 0.31 -0.61 1.57 3.64 -1.06 -0.35 116.57 119.92 2a9o h LYS 113 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2a9o h LYS 113 Cb 0.17 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2a9o h LYS 113 CO -0.00 0.21 0.37 0.00 -2.27 0.00 0.00 179.45 177.76 2a9o h ALA 114 N 1.28 0.79 -0.44 5.00 0.00 -0.13 -0.71 119.26 125.06 2a9o h ALA 114 Ca 0.20 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2a9o h ALA 114 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2a9o h ALA 114 CO -0.20 0.11 -0.04 -0.07 0.00 0.00 0.00 179.25 179.04 2a9o h LEU 115 N 0.73 0.80 -0.92 0.00 3.38 -0.57 -2.93 115.31 115.80 2a9o h LEU 115 Ca 0.25 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2a9o h LEU 115 Cb 0.03 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2a9o h LEU 115 CO -0.11 0.94 0.59 -0.07 0.09 0.00 0.00 178.44 179.89 2a9o h LEU 116 N 0.64 0.97 -1.27 1.67 3.38 -0.76 -2.68 115.31 117.26 2a9o h LEU 116 Ca 0.12 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.28 2a9o h LEU 116 Cb 0.56 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 2a9o h LEU 116 CO 0.03 0.65 0.61 -0.09 0.09 0.00 0.00 178.44 179.72 2a9o h ARG 117 N 1.12 0.58 -0.01 1.13 2.43 -0.94 -3.51 114.38 115.18 2a9o h ARG 117 Ca 0.38 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2a9o h ARG 117 Cb 0.07 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2a9o h ARG 117 CO -0.14 0.39 0.00 0.54 -1.51 0.00 0.00 179.97 179.25