#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iab s ALA 2 N 0.00 2.78 0.27 0.00 0.00 -0.43 -0.81 121.76 123.57 1iab s ALA 2 Ca 0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 1iab s ALA 2 Cb 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 23.12 22.64 1iab s ALA 2 CO 0.00 0.32 1.51 -1.50 0.00 0.00 0.00 175.76 176.09 1iab s ILE 3 N -2.26 2.40 0.20 0.00 2.07 -0.25 -1.21 121.20 122.15 1iab s ILE 3 Ca 0.28 0.34 -0.30 0.00 -1.41 0.00 0.00 60.65 59.56 1iab s ILE 3 Cb -0.06 -3.22 -0.08 0.00 0.13 0.00 0.00 42.46 39.23 1iab s ILE 3 CO 0.15 0.05 1.11 -0.76 -1.91 0.00 0.00 174.94 173.58 1iab s LEU 4 N -0.44 4.50 0.00 8.50 1.43 -1.26 -4.69 118.68 126.72 1iab s LEU 4 Ca 0.61 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1iab s LEU 4 Cb -0.44 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.17 1iab s LEU 4 CO 0.45 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1iab n GLY 5 N 1.88 1.71 0.11 -3.19 0.00 -1.26 -4.83 105.19 99.60 1iab n GLY 5 Ca 0.02 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.12 1iab n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iab n ASP 6 N 0.00 0.59 0.26 1.61 8.00 -1.26 -1.81 116.55 123.94 1iab n ASP 6 Ca 0.00 0.63 0.08 0.00 0.71 0.00 0.00 54.79 56.22 1iab n ASP 6 Cb 0.00 -0.76 0.65 0.00 -0.02 0.00 0.00 41.12 40.99 1iab n ASP 6 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1iab h GLU 7 N 0.00 0.00 -0.08 -1.24 3.07 -1.99 -1.87 114.58 112.48 1iab h GLU 7 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1iab h GLU 7 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1iab h GLU 7 CO 0.00 0.01 0.00 0.66 -1.40 0.00 0.00 179.01 178.28 1iab n TYR 8 N -4.48 0.09 -3.35 4.33 4.01 -0.75 -4.87 117.16 112.14 1iab n TYR 8 Ca -0.03 -0.05 -0.31 0.00 -0.16 0.00 0.00 57.90 57.36 1iab n TYR 8 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 1iab n TYR 8 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1iab s LEU 9 N -1.69 4.11 -0.27 7.72 1.43 -0.70 -0.46 118.68 128.81 1iab s LEU 9 Ca 0.34 0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 1iab s LEU 9 Cb 0.17 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1iab s LEU 9 CO 0.27 -0.13 1.07 0.26 0.23 0.00 0.00 176.35 178.05 1iab s TRP 10 N -1.94 3.22 -0.07 0.29 0.52 -1.26 -4.78 118.94 114.92 1iab s TRP 10 Ca 0.47 1.31 -0.38 0.00 0.02 0.00 0.00 56.10 57.52 1iab s TRP 10 Cb -0.11 -3.50 -0.16 0.00 -1.15 0.00 0.00 33.47 28.55 1iab s TRP 10 CO 0.25 -0.68 1.55 0.43 0.02 0.00 0.00 176.95 178.52 1iab n SER 11 N 6.63 2.14 0.00 2.95 7.64 -1.26 -1.01 113.62 130.70 1iab n SER 11 Ca 0.12 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1iab n SER 11 Cb 0.47 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1iab n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iab n GLY 12 N 3.38 0.72 2.39 0.23 0.00 -1.26 -2.64 105.19 108.01 1iab n GLY 12 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1iab n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iab n GLY 13 N -2.18 1.21 3.71 -0.02 0.00 -0.18 -4.59 105.19 103.13 1iab n GLY 13 Ca 0.00 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1iab n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iab s VAL 14 N -2.34 5.36 -0.33 1.61 1.01 -1.08 -1.32 120.40 123.30 1iab s VAL 14 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1iab s VAL 14 Cb 0.00 -3.46 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1iab s VAL 14 CO 0.00 0.42 0.05 -0.63 0.00 0.00 0.00 175.10 174.93 1iab s ILE 15 N 0.54 2.02 0.40 2.22 1.01 0.43 -4.53 121.20 123.29 1iab s ILE 15 Ca 0.08 -2.13 -0.26 0.00 0.00 0.00 0.00 60.65 58.34 1iab s ILE 15 Cb -0.12 -2.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 1iab s ILE 15 CO -0.00 -0.57 1.20 -2.84 0.00 0.00 0.00 174.94 172.72 1iab s PRO 16 N 1.04 4.06 0.03 2.79 0.02 -1.26 -1.66 135.00 140.03 1iab s PRO 16 Ca 0.09 1.91 -0.00 0.00 0.02 0.00 0.00 61.00 63.02 1iab s PRO 16 Cb -0.19 -2.72 -0.03 0.00 0.02 0.00 0.00 34.50 31.59 1iab s PRO 16 CO -0.11 -0.34 -0.03 1.52 -0.33 0.00 0.00 177.00 177.71 1iab s TYR 17 N -1.37 0.39 0.24 6.54 -0.85 0.69 -0.79 117.35 122.20 1iab s TYR 17 Ca 0.56 -0.74 0.09 0.00 -0.52 0.00 0.00 57.07 56.47 1iab s TYR 17 Cb -0.32 -0.28 -0.05 0.00 0.38 0.00 0.00 41.96 41.69 1iab s TYR 17 CO 0.41 -0.25 -0.15 0.95 -1.52 0.00 0.00 175.55 174.99 1iab s THR 18 N -2.41 1.96 -0.22 -3.49 -4.23 0.37 -0.83 115.64 106.80 1iab s THR 18 Ca -0.07 -2.26 -0.06 0.00 -1.18 0.00 0.00 61.69 58.13 1iab s THR 18 Cb -0.03 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 1iab s THR 18 CO -0.04 -0.50 0.02 -0.36 -0.54 0.00 0.00 174.62 173.19 1iab s PHE 19 N -2.83 3.05 -0.54 3.99 0.08 -1.26 -1.24 117.98 119.23 1iab s PHE 19 Ca 0.26 -0.49 -0.15 0.00 0.12 0.00 0.00 56.93 56.67 1iab s PHE 19 Cb -0.01 -2.13 0.13 0.00 -0.57 0.00 0.00 43.02 40.44 1iab s PHE 19 CO 0.10 -0.30 0.48 0.00 -0.10 0.00 0.00 175.22 175.40 1iab s ALA 20 N 1.22 3.62 -1.14 5.36 0.00 -0.18 -4.71 121.76 125.93 1iab s ALA 20 Ca 0.04 -2.58 -0.07 0.00 0.00 0.00 0.00 51.96 49.34 1iab s ALA 20 Cb -0.15 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1iab s ALA 20 CO 0.02 -2.01 1.00 0.41 0.00 0.00 0.00 175.76 175.17 1iab n GLY 21 N 5.12 -0.31 3.76 0.00 0.00 -1.26 -4.38 105.19 108.12 1iab n GLY 21 Ca -0.12 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1iab n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iab s VAL 22 N -3.27 5.35 0.92 1.61 1.01 -1.26 -4.64 120.40 120.11 1iab s VAL 22 Ca 0.49 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 1iab s VAL 22 Cb -0.22 -3.55 0.15 0.00 0.00 0.00 0.00 36.38 32.76 1iab s VAL 22 CO 0.61 0.45 1.14 -0.94 0.00 0.00 0.00 175.10 176.37 1iab s SER 23 N 0.12 2.91 0.21 3.32 1.04 -1.26 -4.75 113.70 115.28 1iab s SER 23 Ca 0.14 2.17 -0.08 0.00 0.48 0.00 0.00 55.95 58.65 1iab s SER 23 Cb -0.12 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.58 1iab s SER 23 CO 0.02 -3.11 1.77 1.23 0.98 0.00 0.00 173.24 174.13 1iab h GLY 24 N -1.87 1.26 1.60 7.32 0.00 -1.98 0.38 103.07 109.77 1iab h GLY 24 Ca -0.43 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.08 1iab h GLY 24 CO 0.42 0.66 -0.33 0.00 0.00 0.00 0.00 176.54 177.29 1iab h ALA 25 N 1.15 1.02 -0.30 3.60 0.00 -2.00 -0.78 119.26 121.96 1iab h ALA 25 Ca 0.26 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1iab h ALA 25 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1iab h ALA 25 CO -0.02 0.59 -0.37 -0.44 0.00 0.00 0.00 179.25 179.02 1iab h ASP 26 N 0.39 0.72 -0.46 0.00 3.32 -1.47 -2.45 116.42 116.48 1iab h ASP 26 Ca 0.05 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 1iab h ASP 26 Cb 0.78 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1iab h ASP 26 CO 0.06 1.02 0.12 1.56 -1.72 0.00 0.00 179.24 180.28 1iab h GLN 27 N 0.57 0.81 -0.54 3.56 4.20 0.00 -1.31 115.11 122.40 1iab h GLN 27 Ca 0.05 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 1iab h GLN 27 Cb 0.89 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1iab h GLN 27 CO 0.08 0.73 -0.07 0.77 -0.67 0.00 0.00 178.83 179.67 1iab h SER 28 N 0.78 0.97 -0.37 1.46 0.02 -0.95 -0.27 113.55 115.18 1iab h SER 28 Ca 0.17 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1iab h SER 28 Cb 0.30 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1iab h SER 28 CO -0.00 1.07 0.10 0.00 -1.14 0.00 0.00 176.83 176.85 1iab h ALA 29 N 1.02 0.49 -0.47 3.77 0.00 -0.96 -2.61 119.26 120.50 1iab h ALA 29 Ca 0.15 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1iab h ALA 29 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1iab h ALA 29 CO 0.04 0.16 -0.05 0.82 0.00 0.00 0.00 179.25 180.22 1iab h ILE 30 N 0.46 1.27 -0.93 0.00 2.04 -0.94 -2.14 117.51 117.27 1iab h ILE 30 Ca 0.12 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1iab h ILE 30 Cb 0.29 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1iab h ILE 30 CO -0.00 0.40 0.61 -0.07 0.00 0.00 0.00 178.15 179.09 1iab h LEU 31 N 0.72 1.05 -1.42 1.44 3.38 -1.09 -0.76 115.31 118.64 1iab h LEU 31 Ca 0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1iab h LEU 31 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1iab h LEU 31 CO 0.03 0.75 -0.29 -1.28 0.09 0.00 0.00 178.44 177.75 1iab h SER 32 N 1.24 0.00 -0.19 -0.43 0.87 -1.21 0.24 113.55 114.06 1iab h SER 32 Ca 0.35 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.77 1iab h SER 32 Cb -0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1iab h SER 32 CO -0.08 0.29 -0.41 1.23 -0.53 0.00 0.00 176.83 177.32 1iab h GLY 33 N 1.11 0.68 0.87 5.77 0.00 -0.64 -2.43 103.07 108.43 1iab h GLY 33 Ca -0.00 -0.82 0.04 0.00 0.00 0.00 0.00 47.33 46.55 1iab h GLY 33 CO 0.04 0.73 0.64 -0.33 0.00 0.00 0.00 176.54 177.63 1iab h MET 34 N 0.30 1.19 -0.62 4.80 2.07 -0.45 -2.96 114.93 119.27 1iab h MET 34 Ca 0.00 -0.07 -0.03 0.00 -2.07 0.00 0.00 59.70 57.53 1iab h MET 34 Cb 1.02 -0.27 -0.03 0.00 -1.87 0.00 0.00 31.60 30.45 1iab h MET 34 CO 0.09 0.79 0.28 0.37 1.07 0.00 0.00 176.91 179.50 1iab h GLN 35 N 1.23 0.90 -0.74 1.72 4.15 -0.30 -0.67 115.11 121.40 1iab h GLN 35 Ca 0.40 -0.15 0.06 0.00 0.77 0.00 0.00 58.65 59.73 1iab h GLN 35 Cb 0.04 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.52 1iab h GLN 35 CO -0.13 0.74 0.43 1.49 -1.93 0.00 0.00 178.83 179.44 1iab h GLU 36 N 0.85 0.78 -0.76 1.69 4.81 -1.31 0.32 114.58 120.95 1iab h GLU 36 Ca 0.21 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1iab h GLU 36 Cb 0.15 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1iab h GLU 36 CO -0.02 0.51 0.33 -0.07 -0.73 0.00 0.00 179.01 179.03 1iab h LEU 37 N 0.80 1.02 -0.24 1.64 3.38 -1.16 -2.37 115.31 118.39 1iab h LEU 37 Ca 0.32 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 1iab h LEU 37 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1iab h LEU 37 CO -0.17 0.89 -0.80 -0.33 0.09 0.00 0.00 178.44 178.12 1iab h GLU 38 N 1.10 0.00 -0.15 1.13 5.08 -0.70 0.33 114.58 121.37 1iab h GLU 38 Ca 0.26 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1iab h GLU 38 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1iab h GLU 38 CO -0.03 0.80 -0.41 0.93 -1.00 0.00 0.00 179.01 179.30 1iab h GLU 39 N 0.00 0.34 0.00 2.33 5.08 -0.79 -3.32 114.58 118.23 1iab h GLU 39 Ca -0.01 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1iab h GLU 39 Cb 1.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1iab h GLU 39 CO 0.10 0.70 -1.55 1.63 -1.00 0.00 0.00 179.01 178.89 1iab n LYS 40 N -4.02 0.67 -4.41 2.33 5.02 -0.90 -5.02 118.16 111.82 1iab n LYS 40 Ca -0.02 -0.12 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 1iab n LYS 40 Cb 0.49 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.98 1iab n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1iab s THR 41 N -3.14 0.57 -2.15 -0.18 -4.23 0.11 -4.85 115.64 101.77 1iab s THR 41 Ca -0.02 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.74 1iab s THR 41 Cb 0.13 -2.51 0.64 0.00 1.34 0.00 0.00 72.50 72.09 1iab s THR 41 CO 0.79 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.72 1iab s ILE 43 N -1.96 3.26 -0.05 0.00 -1.09 -1.26 -4.86 121.20 115.24 1iab s ILE 43 Ca 0.37 1.10 0.04 0.00 -2.23 0.00 0.00 60.65 59.93 1iab s ILE 43 Cb 0.18 -3.70 -0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1iab s ILE 43 CO 0.30 0.19 -0.19 -0.13 -1.23 0.00 0.00 174.94 173.88 1iab s ARG 44 N -0.56 2.04 -0.21 2.79 1.81 -0.44 -4.27 118.95 120.11 1iab s ARG 44 Ca 0.53 -0.67 -0.08 0.00 -1.72 0.00 0.00 55.73 53.79 1iab s ARG 44 Cb -0.35 -1.72 -0.04 0.00 -0.45 0.00 0.00 34.95 32.39 1iab s ARG 44 CO 0.40 0.24 0.09 -0.06 -0.68 0.00 0.00 175.30 175.29 1iab s PHE 45 N 0.10 3.22 0.02 -0.53 0.08 -1.26 -0.43 117.98 119.18 1iab s PHE 45 Ca -0.06 -0.01 0.05 0.00 0.12 0.00 0.00 56.93 57.03 1iab s PHE 45 Cb -0.13 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.14 1iab s PHE 45 CO 0.03 0.01 -0.16 0.14 -0.10 0.00 0.00 175.22 175.14 1iab s VAL 46 N 0.84 1.24 0.06 -0.44 -7.23 -0.66 -4.95 120.40 109.26 1iab s VAL 46 Ca 0.05 -0.89 -0.33 0.00 -1.81 0.00 0.00 61.98 59.00 1iab s VAL 46 Cb -0.13 -1.08 -0.12 0.00 0.56 0.00 0.00 36.38 35.61 1iab s VAL 46 CO 0.02 0.18 1.80 -2.65 -0.31 0.00 0.00 175.10 174.14 1iab n PRO 47 N 2.22 2.45 -1.72 4.82 -0.02 -1.26 -0.22 135.00 141.27 1iab n PRO 47 Ca -0.16 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 1iab n PRO 47 Cb 0.54 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1iab n PRO 47 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1iab n ARG 48 N 5.55 2.72 0.00 -0.52 0.00 -0.01 -4.71 116.66 119.69 1iab n ARG 48 Ca 0.19 0.98 0.00 0.00 -0.00 0.00 0.00 57.85 59.02 1iab n ARG 48 Cb 0.33 -2.81 0.00 0.00 0.00 0.00 0.00 32.46 29.98 1iab n ARG 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1iab n THR 49 N 3.65 0.00 0.41 5.15 -2.24 -1.26 -4.95 114.28 115.04 1iab n THR 49 Ca 0.15 0.08 0.05 0.00 -2.27 0.00 0.00 64.05 62.06 1iab n THR 49 Cb 0.35 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.45 1iab n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iab n THR 50 N -2.46 0.00 -2.11 4.28 -2.24 -1.26 -5.02 114.28 105.46 1iab n THR 50 Ca 0.00 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 61.12 1iab n THR 50 Cb 0.00 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1iab n THR 50 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1iab s GLU 51 N -1.96 4.01 0.00 -0.78 8.01 -1.26 -4.95 118.70 121.76 1iab s GLU 51 Ca 0.03 2.08 -0.16 0.00 0.01 0.00 0.00 54.97 56.93 1iab s GLU 51 Cb 0.07 -2.76 -0.34 0.00 -4.31 0.00 0.00 34.13 26.79 1iab s GLU 51 CO 0.39 -0.44 0.92 0.66 0.01 0.00 0.00 175.26 176.80 1iab h SER 52 N 2.71 0.75 -3.46 -0.19 4.64 -1.95 -3.43 113.55 112.62 1iab h SER 52 Ca -0.49 -0.93 -0.60 0.00 -0.47 0.00 0.00 61.79 59.30 1iab h SER 52 Cb 1.24 -0.24 -0.10 0.00 -0.31 0.00 0.00 62.40 62.99 1iab h SER 52 CO 0.63 1.68 0.05 -1.81 -0.87 0.00 0.00 176.83 176.51 1iab s ASP 53 N -7.44 6.61 0.28 4.97 1.01 -1.26 -3.22 116.67 117.62 1iab s ASP 53 Ca -0.11 0.73 -0.20 0.00 0.71 0.00 0.00 52.55 53.68 1iab s ASP 53 Cb 0.04 -2.32 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1iab s ASP 53 CO 0.91 -0.25 0.70 -0.72 0.21 0.00 0.00 175.17 176.03 1iab s TYR 54 N 1.90 -0.15 -0.26 4.23 1.13 -1.05 -4.66 117.35 118.49 1iab s TYR 54 Ca 0.26 -0.30 -0.10 0.00 -1.41 0.00 0.00 57.07 55.52 1iab s TYR 54 Cb -0.16 0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1iab s TYR 54 CO 0.10 -1.22 0.15 0.08 -2.51 0.00 0.00 175.55 172.14 1iab s VAL 55 N -3.92 5.05 -0.38 -3.49 1.01 0.03 -0.80 120.40 117.89 1iab s VAL 55 Ca 0.12 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 1iab s VAL 55 Cb -0.06 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1iab s VAL 55 CO 0.07 0.31 0.28 -0.70 0.00 0.00 0.00 175.10 175.06 1iab s GLU 56 N 1.45 3.19 -0.20 2.72 2.12 0.14 -0.48 118.70 127.64 1iab s GLU 56 Ca 0.07 -0.85 -0.13 0.00 0.36 0.00 0.00 54.97 54.42 1iab s GLU 56 Cb -0.15 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.29 1iab s GLU 56 CO 0.07 -0.63 0.25 0.42 -0.54 0.00 0.00 175.26 174.83 1iab s ILE 57 N 1.71 5.32 0.02 -3.70 1.01 -0.37 -1.20 121.20 124.00 1iab s ILE 57 Ca 0.06 0.41 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 1iab s ILE 57 Cb -0.18 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1iab s ILE 57 CO 0.10 0.35 0.21 0.72 0.00 0.00 0.00 174.94 176.32 1iab s PHE 58 N 0.82 0.01 -0.55 3.97 -0.71 -1.01 -1.01 117.98 119.49 1iab s PHE 58 Ca 0.13 -0.15 0.05 0.00 -1.04 0.00 0.00 56.93 55.91 1iab s PHE 58 Cb -0.13 -0.01 0.05 0.00 -1.21 0.00 0.00 43.02 41.72 1iab s PHE 58 CO 0.04 -0.40 0.71 0.25 -1.34 0.00 0.00 175.22 174.48 1iab n THR 59 N 0.92 0.13 0.21 -4.49 -2.24 -1.26 -1.78 114.28 105.77 1iab n THR 59 Ca -0.20 -0.57 0.12 0.00 -2.27 0.00 0.00 64.05 61.13 1iab n THR 59 Cb 0.58 1.02 0.25 0.00 -2.10 0.00 0.00 70.33 70.08 1iab n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iab n SER 60 N 0.22 3.47 -2.27 3.42 3.41 -1.26 -0.84 113.62 119.75 1iab n SER 60 Ca 0.03 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1iab n SER 60 Cb 0.14 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1iab n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iab n GLY 61 N 1.52 1.05 2.73 5.00 0.00 -1.26 -5.03 105.19 109.21 1iab n GLY 61 Ca 0.20 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.40 1iab n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iab s SER 62 N -1.00 1.66 0.00 1.61 0.15 -1.26 -4.80 113.70 110.05 1iab s SER 62 Ca 0.00 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1iab s SER 62 Cb 0.00 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1iab s SER 62 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1iab n GLY 63 N 5.18 -1.19 3.42 9.45 0.00 -1.26 -4.91 105.19 115.89 1iab n GLY 63 Ca -0.06 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 1iab n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iab s TRP 65 N 1.30 -0.50 0.06 0.00 1.48 -0.35 -5.00 118.94 115.93 1iab s TRP 65 Ca 0.04 0.46 -0.14 0.00 -1.06 0.00 0.00 56.10 55.41 1iab s TRP 65 Cb -0.15 0.52 0.02 0.00 -1.16 0.00 0.00 33.47 32.70 1iab s TRP 65 CO 0.01 -0.69 0.31 0.45 -4.06 0.00 0.00 176.95 172.97 1iab s SER 66 N -2.29 -0.12 0.71 -2.66 0.15 -1.26 -0.88 113.70 107.34 1iab s SER 66 Ca -0.00 -0.23 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 1iab s SER 66 Cb -0.01 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1iab s SER 66 CO -0.07 -0.65 1.07 -0.31 1.20 0.00 0.00 173.24 174.47 1iab s TYR 67 N -2.80 3.03 -0.30 3.44 2.02 -1.26 -4.90 117.35 116.58 1iab s TYR 67 Ca -0.03 1.44 -0.15 0.00 -0.37 0.00 0.00 57.07 57.96 1iab s TYR 67 Cb -0.00 -2.91 -0.02 0.00 -0.40 0.00 0.00 41.96 38.63 1iab s TYR 67 CO -0.05 -1.32 0.39 0.08 -1.57 0.00 0.00 175.55 173.08 1iab s VAL 68 N -3.01 5.15 0.04 0.71 1.01 -1.26 -2.77 120.40 120.26 1iab s VAL 68 Ca 0.59 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1iab s VAL 68 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1iab s VAL 68 CO 0.55 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1iab n GLY 69 N 4.78 -2.18 3.58 4.51 0.00 -0.12 -4.71 105.19 111.05 1iab n GLY 69 Ca -0.08 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 1iab n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iab s ARG 70 N -1.00 3.64 0.00 1.61 3.52 0.39 -4.79 118.95 122.32 1iab s ARG 70 Ca 0.00 0.33 0.25 0.00 -0.13 0.00 0.00 55.73 56.17 1iab s ARG 70 Cb 0.00 -3.89 0.44 0.00 -1.56 0.00 0.00 34.95 29.95 1iab s ARG 70 CO 0.00 -1.16 1.37 0.44 -0.81 0.00 0.00 175.30 175.15 1iab n ILE 71 N 6.33 0.00 -0.04 4.11 -5.35 -1.26 -4.61 119.36 118.54 1iab n ILE 71 Ca 0.07 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1iab n ILE 71 Cb 0.48 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 1iab n ILE 71 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1iab n SER 72 N -0.21 -1.21 0.00 7.28 3.41 -1.26 -5.09 113.62 116.53 1iab n SER 72 Ca 0.12 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1iab n SER 72 Cb 0.41 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 1iab n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iab n GLY 73 N -0.99 -2.42 3.67 5.00 0.00 -1.25 -4.75 105.19 104.45 1iab n GLY 73 Ca 0.00 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1iab n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iab s ALA 74 N -1.02 3.62 -0.05 4.61 0.00 -1.20 -2.53 121.76 125.19 1iab s ALA 74 Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.93 1iab s ALA 74 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1iab s ALA 74 CO 0.00 -1.18 -0.24 1.14 0.00 0.00 0.00 175.76 175.48 1iab s GLN 75 N 3.25 2.42 0.30 0.00 -2.07 0.02 -4.93 119.66 118.64 1iab s GLN 75 Ca 0.68 -0.89 -0.18 0.00 -1.82 0.00 0.00 55.36 53.15 1iab s GLN 75 Cb -0.32 -2.15 -0.09 0.00 -1.09 0.00 0.00 33.01 29.35 1iab s GLN 75 CO 0.27 0.46 0.77 -0.65 -1.32 0.00 0.00 175.29 174.83 1iab s GLN 76 N -0.35 4.17 -0.20 9.60 -0.21 -1.26 -0.68 119.66 130.72 1iab s GLN 76 Ca 0.02 0.85 0.01 0.00 0.02 0.00 0.00 55.36 56.26 1iab s GLN 76 Cb -0.12 -2.60 0.04 0.00 1.00 0.00 0.00 33.01 31.33 1iab s GLN 76 CO 0.02 0.23 -0.13 0.08 -2.12 0.00 0.00 175.29 173.37 1iab s VAL 77 N -1.81 1.83 -0.22 1.09 1.01 -0.34 -4.19 120.40 117.77 1iab s VAL 77 Ca 0.51 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1iab s VAL 77 Cb -0.13 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1iab s VAL 77 CO 0.19 0.23 0.47 -0.55 0.00 0.00 0.00 175.10 175.44 1iab s SER 78 N 1.32 6.46 -0.52 3.32 0.15 -0.06 -2.41 113.70 121.96 1iab s SER 78 Ca -0.01 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.23 1iab s SER 78 Cb -0.16 -2.26 0.15 0.00 -1.71 0.00 0.00 66.02 62.03 1iab s SER 78 CO -0.09 -0.18 0.32 -0.76 1.20 0.00 0.00 173.24 173.73 1iab s LEU 79 N 1.77 3.37 0.21 3.45 1.43 -0.73 -1.22 118.68 126.96 1iab s LEU 79 Ca 0.21 -3.05 -0.32 0.00 -1.03 0.00 0.00 54.13 49.94 1iab s LEU 79 Cb -0.15 -1.23 -0.14 0.00 0.03 0.00 0.00 46.19 44.70 1iab s LEU 79 CO 0.09 -0.20 1.38 1.67 0.23 0.00 0.00 176.35 179.51 1iab n GLN 80 N 3.00 1.85 -0.12 1.70 7.27 -1.15 -4.22 117.38 125.71 1iab n GLN 80 Ca 0.13 0.66 -0.05 0.00 0.07 0.00 0.00 57.00 57.81 1iab n GLN 80 Cb 0.36 -2.30 0.01 0.00 2.41 0.00 0.00 30.24 30.72 1iab n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iab h ALA 81 N 4.23 0.14 -2.90 1.69 0.00 -1.32 -2.34 119.26 118.77 1iab h ALA 81 Ca -0.45 0.15 -0.71 0.00 0.00 0.00 0.00 54.91 53.90 1iab h ALA 81 Cb 1.29 0.45 -0.30 0.00 0.00 0.00 0.00 17.79 19.23 1iab h ALA 81 CO 0.76 -0.54 -0.49 -0.80 0.00 0.00 0.00 179.25 178.18 1iab s ASN 82 N -5.15 5.51 0.00 0.00 0.01 -1.26 -4.31 114.94 109.74 1iab s ASN 82 Ca -0.14 -1.65 0.00 0.00 -0.71 0.00 0.00 52.86 50.36 1iab s ASN 82 Cb 0.15 -1.94 0.00 0.00 0.41 0.00 0.00 41.25 39.87 1iab s ASN 82 CO 0.70 -0.54 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 1iab n GLY 83 N 4.83 1.06 0.00 0.66 0.00 -1.22 -4.97 105.19 105.55 1iab n GLY 83 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1iab n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iab n VAL 85 N -0.50 3.11 -4.83 0.00 0.31 -1.25 -4.23 118.33 110.94 1iab n VAL 85 Ca 0.00 -2.36 -0.26 0.00 -0.01 0.00 0.00 64.34 61.71 1iab n VAL 85 Cb 0.02 -2.48 -0.15 0.00 -0.91 0.00 0.00 33.84 30.33 1iab n VAL 85 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1iab s TYR 86 N 3.44 1.79 0.19 3.52 2.02 -1.26 -5.04 117.35 122.02 1iab s TYR 86 Ca 0.53 -0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 56.72 1iab s TYR 86 Cb 0.14 -1.12 0.17 0.00 -0.40 0.00 0.00 41.96 40.76 1iab s TYR 86 CO -0.03 0.02 1.62 1.25 -1.57 0.00 0.00 175.55 176.85 1iab h HIS 87 N 5.32 -0.47 -0.34 2.71 2.76 -1.89 -0.25 115.15 122.99 1iab h HIS 87 Ca -0.40 0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 57.70 1iab h HIS 87 Cb 1.15 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 1iab h HIS 87 CO 0.44 -0.29 -0.27 0.78 -1.30 0.00 0.00 177.93 177.29 1iab h GLY 88 N -0.06 0.75 0.80 5.26 0.00 -1.69 -2.26 103.07 105.86 1iab h GLY 88 Ca 0.26 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1iab h GLY 88 CO -0.59 0.60 0.01 -0.84 0.00 0.00 0.00 176.54 175.72 1iab h THR 89 N 0.60 1.24 -0.68 4.70 2.02 -1.34 -1.37 112.91 118.08 1iab h THR 89 Ca 0.08 -0.80 0.14 0.00 0.77 0.00 0.00 66.41 66.59 1iab h THR 89 Cb 0.77 1.46 -0.13 0.00 -1.74 0.00 0.00 68.15 68.51 1iab h THR 89 CO 0.06 0.24 -0.16 0.40 0.37 0.00 0.00 175.52 176.44 1iab h ILE 90 N 0.04 0.33 -0.35 3.11 2.04 -0.92 -1.83 117.51 119.93 1iab h ILE 90 Ca 0.05 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 1iab h ILE 90 Cb 0.35 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1iab h ILE 90 CO 0.01 0.00 0.01 0.40 0.00 0.00 0.00 178.15 178.56 1iab h ILE 91 N 0.01 1.26 -0.53 -0.67 2.04 -1.35 -2.12 117.51 116.14 1iab h ILE 91 Ca 0.33 -0.96 0.11 0.00 1.00 0.00 0.00 64.86 65.33 1iab h ILE 91 Cb 0.51 1.19 -0.11 0.00 -0.74 0.00 0.00 36.82 37.67 1iab h ILE 91 CO -0.69 0.32 -0.22 -0.74 0.00 0.00 0.00 178.15 176.82 1iab h HIS 92 N 0.43 -0.56 -0.26 1.37 2.76 -0.60 0.17 115.15 118.46 1iab h HIS 92 Ca 0.10 0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 1iab h HIS 92 Cb 0.45 0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 1iab h HIS 92 CO 0.04 -0.31 -0.29 0.93 -1.30 0.00 0.00 177.93 177.00 1iab h GLU 93 N -0.10 0.65 -0.00 5.26 4.39 -1.25 -1.95 114.58 121.58 1iab h GLU 93 Ca 0.25 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 1iab h GLU 93 Cb 0.48 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1iab h GLU 93 CO -0.60 0.96 -0.40 -0.07 -1.16 0.00 0.00 179.01 177.75 1iab h LEU 94 N 0.37 0.01 -0.67 1.33 3.38 -1.08 -2.25 115.31 116.40 1iab h LEU 94 Ca 0.04 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1iab h LEU 94 Cb 0.86 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1iab h LEU 94 CO 0.07 0.40 -0.66 -0.03 0.09 0.00 0.00 178.44 178.31 1iab h MET 95 N 0.01 0.02 0.41 1.13 4.05 -0.46 -1.17 114.93 118.93 1iab h MET 95 Ca -0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1iab h MET 95 Cb 0.70 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 1iab h MET 95 CO 0.05 0.68 -0.40 0.45 0.23 0.00 0.00 176.91 177.91 1iab h HIS 96 N 0.02 -1.10 -0.89 1.39 3.86 -0.96 -2.55 115.15 114.92 1iab h HIS 96 Ca -0.01 0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1iab h HIS 96 Cb 1.17 0.43 -0.07 0.00 1.06 0.00 0.00 27.41 30.00 1iab h HIS 96 CO 0.00 -0.56 0.57 0.00 0.86 0.00 0.00 177.93 178.81 1iab h ALA 97 N -0.48 1.81 -0.60 2.45 0.00 -1.00 0.09 119.26 121.53 1iab h ALA 97 Ca -0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1iab h ALA 97 Cb 0.74 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1iab h ALA 97 CO -0.06 -0.05 0.40 0.82 0.00 0.00 0.00 179.25 180.36 1iab h ILE 98 N 0.71 1.13 0.00 0.00 2.04 -1.15 -2.41 117.51 117.82 1iab h ILE 98 Ca 0.44 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1iab h ILE 98 Cb 0.69 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1iab h ILE 98 CO -0.20 0.14 0.00 0.61 0.00 0.00 0.00 178.15 178.70 1iab n GLY 99 N -1.45 0.00 3.45 5.37 0.00 -0.41 -4.63 105.19 107.52 1iab n GLY 99 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1iab n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iab s PHE 100 N 0.00 2.56 0.73 1.61 0.40 -0.98 -1.09 117.98 121.20 1iab s PHE 100 Ca 0.00 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1iab s PHE 100 Cb 0.00 -1.48 0.14 0.00 0.51 0.00 0.00 43.02 42.18 1iab s PHE 100 CO 0.00 0.23 1.00 0.71 0.70 0.00 0.00 175.22 177.85 1iab s TYR 101 N -0.88 1.28 0.42 0.36 2.02 0.01 -4.16 117.35 116.40 1iab s TYR 101 Ca 0.14 -0.43 -0.25 0.00 -0.37 0.00 0.00 57.07 56.16 1iab s TYR 101 Cb -0.10 -2.88 -0.08 0.00 -0.40 0.00 0.00 41.96 38.50 1iab s TYR 101 CO 0.04 -1.77 1.19 -1.01 -1.57 0.00 0.00 175.55 172.44 1iab s HIS 102 N -3.12 2.97 0.19 2.71 3.76 -1.26 -4.01 115.29 116.52 1iab s HIS 102 Ca 0.67 1.52 -0.10 0.00 -0.15 0.00 0.00 55.06 57.00 1iab s HIS 102 Cb -0.04 -3.45 0.10 0.00 1.11 0.00 0.00 32.58 30.30 1iab s HIS 102 CO 0.44 -1.52 1.72 1.49 -0.85 0.00 0.00 174.74 176.03 1iab h GLU 103 N 2.51 1.01 0.00 1.40 4.57 -1.60 -3.08 114.58 119.40 1iab h GLU 103 Ca -0.49 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.48 1iab h GLU 103 Cb 1.24 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1iab h GLU 103 CO 0.62 0.88 0.00 -2.39 -1.18 0.00 0.00 179.01 176.94 1iab n HIS 104 N -4.36 0.00 -0.48 0.92 1.44 -1.26 -2.01 115.22 109.47 1iab n HIS 104 Ca 0.04 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.81 1iab n HIS 104 Cb 0.21 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.42 1iab n HIS 104 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1iab n THR 105 N -0.97 1.44 -1.19 0.61 -2.24 -1.16 -4.86 114.28 105.90 1iab n THR 105 Ca 0.14 -1.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.10 1iab n THR 105 Cb 0.07 0.19 0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1iab n THR 105 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iab n ARG 106 N -0.56 0.27 0.23 -0.78 1.74 -0.85 -0.83 116.66 115.88 1iab n ARG 106 Ca 0.10 0.15 0.09 0.00 -0.77 0.00 0.00 57.85 57.42 1iab n ARG 106 Cb 0.49 -2.19 0.58 0.00 -1.02 0.00 0.00 32.46 30.32 1iab n ARG 106 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1iab h MET 107 N -0.65 0.00 -0.60 5.56 2.86 -1.92 -1.18 114.93 119.01 1iab h MET 107 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1iab h MET 107 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1iab h MET 107 CO 0.44 0.20 0.00 -0.40 1.06 0.00 0.00 176.91 178.21 1iab n ASP 108 N -3.86 3.27 0.23 1.22 5.75 -1.26 -4.61 116.55 117.30 1iab n ASP 108 Ca -0.02 -2.29 0.08 0.00 -0.01 0.00 0.00 54.79 52.56 1iab n ASP 108 Cb 0.29 -0.46 0.58 0.00 -1.03 0.00 0.00 41.12 40.50 1iab n ASP 108 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1iab h ARG 109 N 2.68 0.00 0.00 0.11 -0.00 -1.54 -0.31 114.38 115.32 1iab h ARG 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1iab h ARG 109 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.00 1iab h ARG 109 CO 0.15 0.19 0.00 -0.44 -0.00 0.00 0.00 179.97 179.87 1iab h ASP 110 N 0.00 0.00 0.61 0.08 3.32 -1.82 0.97 116.42 119.58 1iab h ASP 110 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1iab h ASP 110 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1iab h ASP 110 CO 0.02 0.00 -0.16 0.78 -1.72 0.00 0.00 179.24 178.16 1iab h ASN 111 N 0.00 0.00 0.00 6.45 4.21 -1.41 -3.36 115.58 121.46 1iab h ASN 111 Ca 0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 1iab h ASN 111 Cb 0.34 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.51 1iab h ASN 111 CO 0.00 0.16 -1.53 -1.22 -1.29 0.00 0.00 177.43 173.55 1iab n TYR 112 N -3.50 0.00 -4.24 1.19 4.01 -0.11 -4.91 117.16 109.59 1iab n TYR 112 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1iab n TYR 112 Cb 0.32 -0.36 -0.11 0.00 -0.31 0.00 0.00 39.34 38.88 1iab n TYR 112 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1iab s VAL 113 N -2.19 1.28 -0.16 -0.72 -7.23 0.15 -0.28 120.40 111.24 1iab s VAL 113 Ca -0.11 -1.76 -0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1iab s VAL 113 Cb 0.03 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1iab s VAL 113 CO 0.23 -0.47 0.01 -0.89 -0.31 0.00 0.00 175.10 173.67 1iab s THR 114 N -2.33 4.35 -0.26 5.32 2.01 0.35 -4.33 115.64 120.74 1iab s THR 114 Ca 0.10 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 1iab s THR 114 Cb -0.04 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1iab s THR 114 CO 0.03 0.49 0.48 -0.63 -0.69 0.00 0.00 174.62 174.29 1iab s ILE 115 N 0.28 5.09 -1.17 1.82 -1.09 -1.26 -0.87 121.20 124.00 1iab s ILE 115 Ca 0.00 0.80 -0.18 0.00 -2.23 0.00 0.00 60.65 59.05 1iab s ILE 115 Cb -0.13 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.05 1iab s ILE 115 CO 0.02 0.10 1.51 0.20 -1.23 0.00 0.00 174.94 175.54 1iab s ASN 116 N 1.57 6.82 0.55 3.58 0.01 0.21 -4.86 114.94 122.82 1iab s ASN 116 Ca 0.20 -2.38 0.23 0.00 -0.71 0.00 0.00 52.86 50.20 1iab s ASN 116 Cb -0.16 -2.50 1.46 0.00 0.41 0.00 0.00 41.25 40.46 1iab s ASN 116 CO 0.09 -1.09 2.12 1.88 -1.51 0.00 0.00 177.10 178.59 1iab h TYR 117 N 8.02 0.00 0.00 2.20 0.05 -1.94 -0.53 116.97 124.77 1iab h TYR 117 Ca 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.10 1iab h TYR 117 Cb 0.92 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.66 1iab h TYR 117 CO 1.27 0.00 -0.00 -0.56 -1.05 0.00 0.00 178.16 177.82 1iab h GLN 118 N 0.00 0.00 -0.02 4.88 -0.00 -1.97 -2.60 115.11 115.39 1iab h GLN 118 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1iab h GLN 118 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1iab h GLN 118 CO -0.00 0.00 -0.09 0.09 -0.00 0.00 0.00 178.83 178.83 1iab n ASN 119 N -3.30 2.37 -4.71 0.06 3.02 -0.21 -4.92 115.26 107.56 1iab n ASN 119 Ca -0.03 -1.68 -0.39 0.00 -0.03 0.00 0.00 54.58 52.44 1iab n ASN 119 Cb 0.09 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 1iab n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1iab s VAL 120 N -1.70 5.07 -0.25 2.41 1.01 -0.98 0.15 120.40 126.11 1iab s VAL 120 Ca 0.20 1.34 -0.40 0.00 0.00 0.00 0.00 61.98 63.13 1iab s VAL 120 Cb 0.15 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 1iab s VAL 120 CO 0.29 0.26 1.74 -0.67 0.00 0.00 0.00 175.10 176.72 1iab n ASP 121 N 3.82 2.46 0.10 3.32 -0.08 0.19 -4.75 116.55 121.61 1iab n ASP 121 Ca -0.02 1.07 0.19 0.00 -1.51 0.00 0.00 54.79 54.52 1iab n ASP 121 Cb 0.51 -1.16 0.75 0.00 2.34 0.00 0.00 41.12 43.56 1iab n ASP 121 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1iab h PRO 122 N 7.30 0.00 0.00 -0.67 0.11 -1.93 -0.52 132.00 136.29 1iab h PRO 122 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1iab h PRO 122 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1iab h PRO 122 CO 0.95 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.61 1iab n SER 123 N -3.95 0.00 -0.28 -2.05 3.41 -1.26 -3.90 113.62 105.59 1iab n SER 123 Ca 0.06 -0.68 0.02 0.00 -0.26 0.00 0.00 58.87 58.01 1iab n SER 123 Cb 0.52 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1iab n SER 123 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1iab n MET 124 N -1.07 0.41 0.23 4.33 2.81 -0.20 -4.85 117.12 118.78 1iab n MET 124 Ca 0.19 -1.17 0.07 0.00 -1.81 0.00 0.00 57.70 54.98 1iab n MET 124 Cb 0.12 -0.69 0.56 0.00 -0.71 0.00 0.00 33.22 32.50 1iab n MET 124 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1iab h THR 125 N 4.46 1.02 0.00 2.03 1.35 -1.67 -2.56 112.91 117.54 1iab h THR 125 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1iab h THR 125 Cb 1.18 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1iab h THR 125 CO 0.00 0.16 0.00 -1.20 -0.25 0.00 0.00 175.52 174.23 1iab n SER 126 N -4.21 0.37 0.20 5.36 7.64 -1.26 -1.85 113.62 119.87 1iab n SER 126 Ca -0.02 0.60 0.14 0.00 1.01 0.00 0.00 58.87 60.59 1iab n SER 126 Cb 0.23 -0.67 0.72 0.00 -1.01 0.00 0.00 64.21 63.48 1iab n SER 126 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1iab h ASN 127 N 0.00 0.00 -0.45 6.43 2.35 -1.85 -0.37 115.58 121.69 1iab h ASN 127 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iab h ASN 127 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1iab h ASN 127 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1iab n PHE 128 N -2.46 0.76 -2.09 1.19 3.72 -0.77 -4.97 117.46 112.82 1iab n PHE 128 Ca -0.01 -0.56 -0.42 0.00 -0.05 0.00 0.00 57.45 56.41 1iab n PHE 128 Cb 0.08 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1iab n PHE 128 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1iab s ASP 129 N -1.11 6.75 0.24 4.37 1.01 -0.15 -4.91 116.67 122.86 1iab s ASP 129 Ca 0.34 2.48 -0.31 0.00 0.71 0.00 0.00 52.55 55.77 1iab s ASP 129 Cb 0.20 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.42 1iab s ASP 129 CO 0.19 -0.68 1.56 -0.63 0.21 0.00 0.00 175.17 175.82 1iab s ILE 130 N 0.69 2.38 -1.07 0.77 1.01 -1.26 -4.81 121.20 118.90 1iab s ILE 130 Ca 0.63 0.30 -0.22 0.00 0.00 0.00 0.00 60.65 61.36 1iab s ILE 130 Cb -0.39 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1iab s ILE 130 CO 0.35 0.04 1.73 -1.81 0.00 0.00 0.00 174.94 175.25 1iab s ASP 131 N 0.71 5.92 0.27 3.58 1.01 -0.01 -4.81 116.67 123.35 1iab s ASP 131 Ca 0.65 -1.47 0.04 0.00 0.71 0.00 0.00 52.55 52.48 1iab s ASP 131 Cb -0.45 -2.57 0.39 0.00 1.01 0.00 0.00 42.92 41.29 1iab s ASP 131 CO 0.40 -2.07 1.68 0.74 0.21 0.00 0.00 175.17 176.13 1iab h THR 132 N 6.57 1.30 -2.59 -1.27 2.02 -1.90 -3.29 112.91 113.74 1iab h THR 132 Ca 0.22 -1.50 -0.77 0.00 0.77 0.00 0.00 66.41 65.14 1iab h THR 132 Cb 0.97 1.61 -0.22 0.00 -1.74 0.00 0.00 68.15 68.77 1iab h THR 132 CO 1.34 0.46 1.10 -1.22 0.37 0.00 0.00 175.52 177.56 1iab n TYR 133 N -4.04 4.48 -3.71 3.16 4.01 -1.26 -4.92 117.16 114.88 1iab n TYR 133 Ca -0.01 -3.37 -0.10 0.00 -0.16 0.00 0.00 57.90 54.26 1iab n TYR 133 Cb 0.48 -1.89 -0.04 0.00 -0.31 0.00 0.00 39.34 37.58 1iab n TYR 133 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1iab s SER 134 N 1.53 -0.28 0.01 7.72 1.04 -1.24 -4.31 113.70 118.17 1iab s SER 134 Ca 0.37 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.41 1iab s SER 134 Cb -0.03 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1iab s SER 134 CO -0.01 -1.04 -0.17 0.00 0.98 0.00 0.00 173.24 173.00 1iab s ARG 135 N -3.86 1.22 0.53 4.02 1.70 -0.35 -4.89 118.95 117.32 1iab s ARG 135 Ca 0.08 -0.70 -0.17 0.00 -0.47 0.00 0.00 55.73 54.47 1iab s ARG 135 Cb -0.01 -1.23 -0.07 0.00 -0.57 0.00 0.00 34.95 33.08 1iab s ARG 135 CO -0.04 0.32 1.02 0.71 -1.08 0.00 0.00 175.30 176.23 1iab s TYR 136 N -0.60 3.20 -0.30 5.89 2.02 -1.26 -1.32 117.35 124.99 1iab s TYR 136 Ca 0.05 1.51 0.19 0.00 -0.37 0.00 0.00 57.07 58.46 1iab s TYR 136 Cb -0.07 -2.92 0.48 0.00 -0.40 0.00 0.00 41.96 39.05 1iab s TYR 136 CO 0.00 -0.69 1.03 1.33 -1.57 0.00 0.00 175.55 175.65 1iab n VAL 137 N -1.58 1.21 0.00 0.71 0.24 -1.26 -4.95 118.33 112.70 1iab n VAL 137 Ca 0.08 -3.12 0.00 0.00 -2.04 0.00 0.00 64.34 59.26 1iab n VAL 137 Cb 0.53 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 1iab n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iab n GLY 138 N -0.32 0.70 3.12 7.63 0.00 -1.26 -4.48 105.19 110.60 1iab n GLY 138 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1iab n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iab s GLU 139 N -0.93 0.84 0.78 1.61 0.41 -1.26 -5.04 118.70 115.11 1iab s GLU 139 Ca 0.00 -0.73 -0.10 0.00 -0.41 0.00 0.00 54.97 53.73 1iab s GLU 139 Cb 0.00 -0.82 0.08 0.00 -1.78 0.00 0.00 34.13 31.61 1iab s GLU 139 CO 0.00 0.20 1.13 -0.51 -0.49 0.00 0.00 175.26 175.59 1iab s ASP 140 N -1.15 4.52 0.24 -0.19 1.01 -1.26 -4.98 116.67 114.86 1iab s ASP 140 Ca -0.00 0.62 -0.31 0.00 0.71 0.00 0.00 52.55 53.57 1iab s ASP 140 Cb -0.08 -1.13 -0.13 0.00 1.01 0.00 0.00 42.92 42.58 1iab s ASP 140 CO 0.01 -1.85 1.40 0.00 0.21 0.00 0.00 175.17 174.94 1iab n TYR 141 N -3.20 2.15 -3.95 4.23 4.19 -1.26 -5.01 117.16 114.31 1iab n TYR 141 Ca 0.09 0.44 -0.29 0.00 3.31 0.00 0.00 57.90 61.45 1iab n TYR 141 Cb 0.61 -2.46 -0.16 0.00 0.49 0.00 0.00 39.34 37.82 1iab n TYR 141 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1iab s GLN 142 N -0.45 1.85 0.47 2.98 -1.52 -1.26 -5.02 119.66 116.71 1iab s GLN 142 Ca 0.68 -0.51 0.14 0.00 -1.95 0.00 0.00 55.36 53.73 1iab s GLN 142 Cb -0.65 -1.99 1.11 0.00 -0.22 0.00 0.00 33.01 31.26 1iab s GLN 142 CO 0.50 -0.32 2.05 1.88 -0.25 0.00 0.00 175.29 179.15 1iab h TYR 143 N 8.09 0.27 -0.45 0.91 0.05 -2.00 -2.46 116.97 121.38 1iab h TYR 143 Ca -0.31 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1iab h TYR 143 Cb 1.12 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1iab h TYR 143 CO 0.47 0.15 0.00 0.66 -1.05 0.00 0.00 178.16 178.39 1iab n TYR 144 N -4.48 1.29 -1.57 4.88 4.01 -1.26 -4.82 117.16 115.21 1iab n TYR 144 Ca 0.05 -0.72 -0.46 0.00 -0.16 0.00 0.00 57.90 56.61 1iab n TYR 144 Cb 0.25 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 1iab n TYR 144 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1iab n SER 145 N 0.35 1.13 0.32 7.72 2.88 -0.93 -4.73 113.62 120.36 1iab n SER 145 Ca 0.23 1.17 0.15 0.00 -1.33 0.00 0.00 58.87 59.08 1iab n SER 145 Cb 0.90 -1.25 0.78 0.00 -0.75 0.00 0.00 64.21 63.89 1iab n SER 145 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1iab h ILE 146 N 2.09 0.00 -0.13 2.46 6.09 -1.92 -1.96 117.51 124.14 1iab h ILE 146 Ca -0.40 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 1iab h ILE 146 Cb 1.35 0.63 0.00 0.00 0.47 0.00 0.00 36.82 39.27 1iab h ILE 146 CO 0.63 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.94 1iab n MET 147 N -2.80 1.80 -3.68 2.19 2.81 -1.26 -4.59 117.12 111.59 1iab n MET 147 Ca -0.02 -1.19 -0.35 0.00 -1.81 0.00 0.00 57.70 54.34 1iab n MET 147 Cb 0.37 -1.43 -0.05 0.00 -0.71 0.00 0.00 33.22 31.39 1iab n MET 147 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1iab s HIS 148 N -1.84 3.59 0.38 2.03 5.65 -0.74 -1.35 115.29 123.01 1iab s HIS 148 Ca 0.34 0.68 0.07 0.00 0.25 0.00 0.00 55.06 56.40 1iab s HIS 148 Cb 0.19 -2.07 -0.00 0.00 -1.18 0.00 0.00 32.58 29.52 1iab s HIS 148 CO 0.29 0.58 0.49 0.71 -0.65 0.00 0.00 174.74 176.16 1iab s TYR 149 N -1.32 2.92 0.80 3.88 2.02 -1.26 -4.19 117.35 120.19 1iab s TYR 149 Ca 0.29 -0.34 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1iab s TYR 149 Cb -0.14 -2.18 0.12 0.00 -0.40 0.00 0.00 41.96 39.37 1iab s TYR 149 CO 0.16 -0.20 1.12 0.20 -1.57 0.00 0.00 175.55 175.26 1iab s GLY 150 N -4.24 1.73 0.58 0.71 0.00 -1.19 -4.53 107.32 100.39 1iab s GLY 150 Ca 0.50 -1.22 0.35 0.00 0.00 0.00 0.00 44.72 44.35 1iab s GLY 150 CO 0.31 -0.65 2.17 0.07 0.00 0.00 0.00 173.10 175.01 1iab h LYS 151 N -0.94 0.00 -0.10 2.90 2.10 -1.73 -2.78 116.57 116.01 1iab h LYS 151 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1iab h LYS 151 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1iab h LYS 151 CO 0.48 0.04 0.00 0.66 -2.00 0.00 0.00 179.45 178.63 1iab n TYR 152 N -3.35 0.11 -1.63 0.07 4.01 -1.26 0.30 117.16 115.41 1iab n TYR 152 Ca -0.02 -0.06 -0.55 0.00 -0.16 0.00 0.00 57.90 57.11 1iab n TYR 152 Cb 0.18 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.15 1iab n TYR 152 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1iab n SER 153 N 1.24 1.76 -1.77 7.72 7.64 -1.05 -1.17 113.62 128.00 1iab n SER 153 Ca 0.14 1.11 -0.19 0.00 1.01 0.00 0.00 58.87 60.94 1iab n SER 153 Cb 0.55 -1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 1iab n SER 153 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iab n PHE 154 N 3.45 -0.39 -2.04 1.43 3.72 -1.26 -4.72 117.46 117.65 1iab n PHE 154 Ca 0.22 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.27 1iab n PHE 154 Cb 0.15 -3.43 0.02 0.00 -0.94 0.00 0.00 39.48 35.28 1iab n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1iab s SER 155 N -2.52 5.38 0.47 4.37 0.15 -0.32 -0.64 113.70 120.60 1iab s SER 155 Ca 0.00 2.18 0.26 0.00 0.70 0.00 0.00 55.95 59.09 1iab s SER 155 Cb 0.00 -2.58 0.68 0.00 -1.71 0.00 0.00 66.02 62.41 1iab s SER 155 CO 0.00 -1.45 1.73 0.16 1.20 0.00 0.00 173.24 174.88 1iab h ILE 156 N 0.75 0.00 -2.30 6.45 3.07 -0.59 -3.38 117.51 121.51 1iab h ILE 156 Ca -0.49 -0.83 -0.58 0.00 1.55 0.00 0.00 64.86 64.51 1iab h ILE 156 Cb 1.27 1.82 -0.38 0.00 -0.27 0.00 0.00 36.82 39.26 1iab h ILE 156 CO 0.55 0.00 -0.99 1.67 -1.05 0.00 0.00 178.15 178.33 1iab n GLN 157 N -3.07 0.38 -1.76 0.16 7.27 -1.26 -5.02 117.38 114.08 1iab n GLN 157 Ca 0.03 -3.24 -0.42 0.00 0.07 0.00 0.00 57.00 53.44 1iab n GLN 157 Cb 0.45 -1.59 -0.03 0.00 2.41 0.00 0.00 30.24 31.49 1iab n GLN 157 CO 0.00 0.00 0.00 -0.46 0.07 0.00 0.00 177.06 176.67 1iab s TRP 158 N -0.30 2.90 0.00 3.69 -0.00 -1.26 -1.67 118.94 122.30 1iab s TRP 158 Ca 0.33 0.44 0.00 0.00 -0.00 0.00 0.00 56.10 56.87 1iab s TRP 158 Cb 0.07 -4.11 0.00 0.00 -0.00 0.00 0.00 33.47 29.43 1iab s TRP 158 CO -0.18 -4.11 0.00 0.41 -0.00 0.00 0.00 176.95 173.07 1iab n GLY 159 N 3.67 0.62 1.34 5.86 0.00 -1.26 -4.84 105.19 110.58 1iab n GLY 159 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1iab n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iab n VAL 160 N -2.00 0.55 -3.52 1.61 0.31 -0.69 -5.03 118.33 109.56 1iab n VAL 160 Ca 0.00 0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 64.11 1iab n VAL 160 Cb 0.00 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 31.60 1iab n VAL 160 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1iab s LEU 161 N -6.53 4.55 0.20 7.52 1.43 -0.67 -5.06 118.68 120.11 1iab s LEU 161 Ca 0.00 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 1iab s LEU 161 Cb 0.00 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 1iab s LEU 161 CO 0.00 -0.25 0.80 -1.61 0.23 0.00 0.00 176.35 175.52 1iab s GLU 162 N 1.74 4.53 -0.16 1.70 2.02 -1.26 -4.67 118.70 122.60 1iab s GLU 162 Ca 0.06 1.14 0.08 0.00 0.02 0.00 0.00 54.97 56.28 1iab s GLU 162 Cb -0.17 -3.14 -0.15 0.00 0.10 0.00 0.00 34.13 30.76 1iab s GLU 162 CO 0.11 0.50 -0.03 0.25 0.02 0.00 0.00 175.26 176.11 1iab n THR 163 N 1.30 1.01 -4.10 3.63 -2.24 0.15 -4.64 114.28 109.39 1iab n THR 163 Ca -0.04 -0.53 -0.34 0.00 -2.27 0.00 0.00 64.05 60.87 1iab n THR 163 Cb 0.49 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.76 1iab n THR 163 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1iab s ILE 164 N -2.35 3.16 -0.18 2.28 1.01 -0.95 -0.62 121.20 123.54 1iab s ILE 164 Ca -0.14 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1iab s ILE 164 Cb 0.05 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1iab s ILE 164 CO 0.52 0.46 -0.19 -0.69 0.00 0.00 0.00 174.94 175.04 1iab s VAL 165 N 1.23 2.12 0.39 2.92 1.01 -0.05 -4.51 120.40 123.50 1iab s VAL 165 Ca 0.03 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 1iab s VAL 165 Cb -0.14 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1iab s VAL 165 CO -0.03 0.52 1.22 -2.16 0.00 0.00 0.00 175.10 174.65 1iab s PRO 166 N 1.29 4.10 0.24 2.72 0.04 -1.26 -0.50 135.00 141.64 1iab s PRO 166 Ca 0.05 1.97 0.24 0.00 0.04 0.00 0.00 61.00 63.29 1iab s PRO 166 Cb -0.13 -2.78 0.29 0.00 0.04 0.00 0.00 34.50 31.92 1iab s PRO 166 CO -0.12 -0.32 1.36 -0.07 0.04 0.00 0.00 177.00 177.89 1iab h LEU 167 N 2.82 0.00 -9.96 -3.56 3.38 -0.99 -3.46 115.31 103.54 1iab h LEU 167 Ca -0.49 -0.06 -0.57 0.00 0.09 0.00 0.00 57.88 56.85 1iab h LEU 167 Cb 1.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1iab h LEU 167 CO 0.63 0.03 -0.27 -1.10 0.09 0.00 0.00 178.44 177.82 1iab s GLN 168 N -3.23 3.65 0.28 1.13 -0.21 -1.26 -5.05 119.66 114.96 1iab s GLN 168 Ca 0.05 -0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.10 1iab s GLN 168 Cb 0.10 -2.81 -0.10 0.00 1.00 0.00 0.00 33.01 31.20 1iab s GLN 168 CO 0.71 0.43 1.43 1.21 -2.12 0.00 0.00 175.29 176.96 1iab s ASN 169 N -2.47 6.62 0.00 5.90 2.47 -1.26 -4.04 114.94 122.17 1iab s ASN 169 Ca 0.42 2.73 0.00 0.00 0.42 0.00 0.00 52.86 56.43 1iab s ASN 169 Cb -0.12 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1iab s ASN 169 CO 0.24 -0.71 0.00 0.61 -3.72 0.00 0.00 177.10 173.53 1iab n GLY 170 N 1.82 0.75 3.78 1.21 0.00 -1.26 -5.03 105.19 106.45 1iab n GLY 170 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1iab n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iab s ILE 171 N -2.17 5.34 -0.33 -0.61 -1.09 -1.26 -5.04 121.20 116.04 1iab s ILE 171 Ca 0.00 0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.88 1iab s ILE 171 Cb 0.00 -3.55 0.10 0.00 -1.58 0.00 0.00 42.46 37.43 1iab s ILE 171 CO 0.00 0.48 0.05 -0.62 -1.23 0.00 0.00 174.94 173.61 1iab s ASP 172 N -0.08 4.64 -0.03 3.58 -1.08 -1.26 -4.91 116.67 117.52 1iab s ASP 172 Ca 0.15 -2.04 -0.30 0.00 -0.52 0.00 0.00 52.55 49.85 1iab s ASP 172 Cb -0.13 -1.52 -0.06 0.00 -1.46 0.00 0.00 42.92 39.75 1iab s ASP 172 CO 0.04 -0.37 1.57 -0.76 0.52 0.00 0.00 175.17 176.16 1iab s LEU 173 N 1.01 4.31 0.27 -1.34 1.43 -1.26 -5.00 118.68 118.10 1iab s LEU 173 Ca 0.09 2.20 0.09 0.00 -1.03 0.00 0.00 54.13 55.49 1iab s LEU 173 Cb -0.19 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1iab s LEU 173 CO -0.10 -0.86 -0.14 0.42 0.23 0.00 0.00 176.35 175.90 1iab s THR 174 N 3.46 2.05 0.69 5.49 -4.23 -1.26 -2.60 115.64 119.23 1iab s THR 174 Ca 0.70 -2.26 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1iab s THR 174 Cb -0.33 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1iab s THR 174 CO 0.28 -0.40 1.08 -1.81 -0.54 0.00 0.00 174.62 173.23 1iab s ASP 175 N -3.45 5.54 0.49 3.99 1.01 -1.26 -3.16 116.67 119.82 1iab s ASP 175 Ca 0.28 1.21 0.14 0.00 0.71 0.00 0.00 52.55 54.89 1iab s ASP 175 Cb -0.01 -2.05 1.15 0.00 1.01 0.00 0.00 42.92 43.02 1iab s ASP 175 CO 0.12 -1.29 2.10 -0.65 0.21 0.00 0.00 175.17 175.67 1iab h PRO 176 N -0.62 0.17 0.00 8.23 0.11 -1.86 -1.37 132.00 136.67 1iab h PRO 176 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1iab h PRO 176 Cb 1.24 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1iab h PRO 176 CO 0.63 0.11 -0.00 0.10 -0.21 0.00 0.00 178.00 178.63 1iab h TYR 177 N 0.18 0.00 -0.00 0.65 -0.00 -1.92 -1.72 116.97 114.15 1iab h TYR 177 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.80 1iab h TYR 177 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.81 1iab h TYR 177 CO -0.00 0.00 -0.28 -0.25 -0.00 0.00 0.00 178.16 177.63 1iab n ASP 178 N -3.15 0.50 -4.83 0.10 8.00 -0.52 -4.69 116.55 111.97 1iab n ASP 178 Ca -0.03 -0.31 -0.38 0.00 0.71 0.00 0.00 54.79 54.79 1iab n ASP 178 Cb 0.09 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1iab n ASP 178 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iab s LYS 179 N -2.80 4.00 0.11 -1.24 -0.14 -0.65 -5.00 119.74 114.03 1iab s LYS 179 Ca 0.18 0.50 -0.06 0.00 -1.36 0.00 0.00 55.97 55.23 1iab s LYS 179 Cb 0.19 -3.23 -0.14 0.00 -1.68 0.00 0.00 37.83 32.97 1iab s LYS 179 CO 0.59 0.67 1.26 0.00 -0.76 0.00 0.00 175.35 177.11 1iab h ALA 180 N 4.70 0.29 -2.75 5.17 0.00 -1.90 -3.34 119.26 121.43 1iab h ALA 180 Ca -0.51 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 53.61 1iab h ALA 180 Cb 1.22 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1iab h ALA 180 CO 0.62 0.81 -0.16 -1.01 0.00 0.00 0.00 179.25 179.51 1iab s HIS 181 N -3.19 0.18 0.54 0.00 3.76 -1.26 -4.79 115.29 110.54 1iab s HIS 181 Ca -0.06 -0.53 -0.17 0.00 -0.15 0.00 0.00 55.06 54.14 1iab s HIS 181 Cb 0.08 0.15 -0.06 0.00 1.11 0.00 0.00 32.58 33.86 1iab s HIS 181 CO 0.88 -0.82 1.03 0.00 -0.85 0.00 0.00 174.74 174.97 1iab s MET 182 N -3.93 3.63 0.78 1.40 0.23 -1.26 -4.78 119.30 115.37 1iab s MET 182 Ca 0.14 1.15 -0.11 0.00 -1.03 0.00 0.00 55.69 55.84 1iab s MET 182 Cb 0.01 -2.08 0.06 0.00 -1.53 0.00 0.00 34.83 31.29 1iab s MET 182 CO -0.01 -0.55 1.08 -0.51 -2.03 0.00 0.00 175.02 173.01 1iab s LEU 183 N -4.14 2.87 0.28 0.18 1.43 -1.26 -4.95 118.68 113.09 1iab s LEU 183 Ca 0.63 1.65 -0.03 0.00 -1.03 0.00 0.00 54.13 55.35 1iab s LEU 183 Cb -0.14 -4.34 0.39 0.00 0.03 0.00 0.00 46.19 42.13 1iab s LEU 183 CO 0.31 -1.98 1.93 -0.61 0.23 0.00 0.00 176.35 176.23 1iab h GLN 184 N -1.09 1.10 0.00 1.70 5.75 -1.99 -1.40 115.11 119.17 1iab h GLN 184 Ca -0.45 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 57.93 1iab h GLN 184 Cb 1.24 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 1iab h GLN 184 CO 0.54 0.77 -0.14 1.79 -2.65 0.00 0.00 178.83 179.14 1iab h THR 185 N 1.12 0.44 -0.16 2.39 1.35 -1.99 0.52 112.91 116.58 1iab h THR 185 Ca 0.29 -0.77 -0.09 0.00 -0.55 0.00 0.00 66.41 65.29 1iab h THR 185 Cb -0.05 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1iab h THR 185 CO -0.06 0.14 -0.27 0.44 -0.25 0.00 0.00 175.52 175.53 1iab h ASP 186 N 0.00 0.51 -0.36 5.36 3.32 -1.64 -2.64 116.42 120.97 1iab h ASP 186 Ca -0.00 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 1iab h ASP 186 Cb 0.53 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1iab h ASP 186 CO 0.02 0.95 0.20 0.00 -1.72 0.00 0.00 179.24 178.68 1iab h ALA 187 N 0.58 0.46 -0.98 3.45 0.00 -0.96 -2.80 119.26 119.01 1iab h ALA 187 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1iab h ALA 187 Cb 0.85 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1iab h ALA 187 CO 0.06 -0.02 0.63 -0.91 0.00 0.00 0.00 179.25 179.01 1iab h ASN 188 N 0.45 1.00 -0.44 0.00 2.35 -0.90 -1.55 115.58 116.50 1iab h ASN 188 Ca 0.13 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 1iab h ASN 188 Cb 0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1iab h ASN 188 CO -0.02 0.64 -0.17 1.56 -1.65 0.00 0.00 177.43 177.79 1iab h GLN 189 N 1.14 0.89 -0.26 0.81 4.20 -1.28 0.40 115.11 121.01 1iab h GLN 189 Ca 0.42 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1iab h GLN 189 Cb 0.18 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1iab h GLN 189 CO -0.16 1.02 0.12 0.82 -0.67 0.00 0.00 178.83 179.95 1iab h ILE 190 N 0.72 1.15 -0.43 2.54 2.04 -1.17 -0.62 117.51 121.73 1iab h ILE 190 Ca 0.10 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1iab h ILE 190 Cb 0.73 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1iab h ILE 190 CO 0.06 0.15 -0.07 0.78 0.00 0.00 0.00 178.15 179.07 1iab h ASN 191 N 0.28 0.72 -0.35 1.72 2.35 -0.99 0.15 115.58 119.45 1iab h ASN 191 Ca 0.09 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1iab h ASN 191 Cb 0.12 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1iab h ASN 191 CO -0.01 0.83 0.16 0.78 -1.65 0.00 0.00 177.43 177.54 1iab h ASN 192 N 0.68 0.47 -0.69 5.81 2.35 -0.78 -2.33 115.58 121.10 1iab h ASN 192 Ca 0.12 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1iab h ASN 192 Cb 0.52 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1iab h ASN 192 CO 0.03 0.48 0.17 0.25 -1.65 0.00 0.00 177.43 176.71 1iab h LEU 193 N 0.43 1.04 -2.81 1.61 5.85 -0.73 -3.10 115.31 117.60 1iab h LEU 193 Ca 0.12 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1iab h LEU 193 Cb 0.14 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1iab h LEU 193 CO -0.01 1.00 0.07 -1.22 -0.34 0.00 0.00 178.44 177.94 1iab n TYR 194 N -4.26 1.51 -0.12 1.25 4.02 0.01 -4.59 117.16 114.98 1iab n TYR 194 Ca 0.05 -0.62 -0.06 0.00 -0.01 0.00 0.00 57.90 57.25 1iab n TYR 194 Cb 0.26 -0.43 0.02 0.00 -0.02 0.00 0.00 39.34 39.16 1iab n TYR 194 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1iab h THR 195 N 2.39 0.94 -0.54 -0.72 2.02 -1.34 0.18 112.91 115.83 1iab h THR 195 Ca 0.06 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 1iab h THR 195 Cb 1.61 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1iab h THR 195 CO 0.39 0.06 -0.10 0.78 0.37 0.00 0.00 175.52 177.03 1iab h ASN 196 N 0.35 1.03 -0.05 4.18 -0.26 -1.87 -3.31 115.58 115.65 1iab h ASN 196 Ca 0.17 -0.35 -0.02 0.00 -0.56 0.00 0.00 56.30 55.54 1iab h ASN 196 Cb 0.11 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.09 1iab h ASN 196 CO -0.14 1.14 -0.05 -0.33 -1.06 0.00 0.00 177.43 176.99 1iab h GLU 197 N 0.90 0.11 -3.91 0.81 4.39 -1.57 -3.33 114.58 111.98 1iab h GLU 197 Ca 0.14 -0.06 -0.77 0.00 0.34 0.00 0.00 59.36 59.01 1iab h GLU 197 Cb 0.67 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.06 1iab h GLU 197 CO 0.05 0.58 -0.06 0.00 -1.16 0.00 0.00 179.01 178.42 1iab n SER 199 N 4.33 3.60 -0.33 0.00 7.64 -1.25 -4.74 113.62 122.88 1iab n SER 199 Ca 0.04 -2.79 0.04 0.00 1.01 0.00 0.00 58.87 57.18 1iab n SER 199 Cb 0.44 -1.54 0.03 0.00 -1.01 0.00 0.00 64.21 62.13 1iab n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03