#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aor n ILE 10 N 0.00 0.00 -2.01 3.17 5.41 -1.19 -4.52 119.36 120.22 2aor n ILE 10 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 2aor n ILE 10 Cb 0.00 -0.45 -0.02 0.00 -0.71 0.00 0.00 39.64 38.46 2aor n ILE 10 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2aor s PRO 11 N 2.98 4.27 0.05 0.38 0.04 -1.26 -4.94 135.00 136.52 2aor s PRO 11 Ca 0.96 2.32 0.14 0.00 0.04 0.00 0.00 61.00 64.46 2aor s PRO 11 Cb -1.35 -3.08 -0.15 0.00 0.04 0.00 0.00 34.50 29.95 2aor s PRO 11 CO 0.72 -0.38 0.87 1.96 0.04 0.00 0.00 177.00 180.21 2aor h GLN 12 N 4.43 0.00 -5.22 4.56 1.08 -1.96 -3.48 115.11 114.53 2aor h GLN 12 Ca -0.47 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.23 2aor h GLN 12 Cb 1.22 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.52 2aor h GLN 12 CO 0.73 0.43 -0.59 0.95 -0.95 0.00 0.00 178.83 179.41 2aor s THR 13 N -2.80 1.13 0.15 -0.54 -4.23 -1.26 -5.00 115.64 103.08 2aor s THR 13 Ca -0.02 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 2aor s THR 13 Cb 0.08 -2.70 -0.14 0.00 1.34 0.00 0.00 72.50 71.08 2aor s THR 13 CO 0.81 0.00 1.37 0.25 -0.54 0.00 0.00 174.62 176.51 2aor h LEU 14 N 2.01 0.54 -1.11 4.79 5.85 -1.96 -2.82 115.31 122.61 2aor h LEU 14 Ca -0.40 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 57.85 2aor h LEU 14 Cb 1.25 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2aor h LEU 14 CO 0.68 1.16 -0.40 -0.08 -0.34 0.00 0.00 178.44 179.46 2aor h GLU 15 N 0.28 0.00 -0.15 1.25 4.81 -1.97 -0.82 114.58 117.98 2aor h GLU 15 Ca -0.05 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2aor h GLU 15 Cb 1.42 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 2aor h GLU 15 CO 0.14 0.40 -0.08 1.96 -0.73 0.00 0.00 179.01 180.70 2aor h GLN 16 N 0.00 0.32 -0.05 1.92 4.20 -1.96 0.77 115.11 120.32 2aor h GLN 16 Ca -0.00 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2aor h GLN 16 Cb 0.80 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2aor h GLN 16 CO 0.05 0.65 0.01 1.25 -0.67 0.00 0.00 178.83 180.13 2aor h LEU 17 N -0.02 0.08 -1.05 1.46 5.85 -1.34 -1.97 115.31 118.32 2aor h LEU 17 Ca 0.03 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 2aor h LEU 17 Cb 0.56 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2aor h LEU 17 CO 0.02 0.29 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.08 2aor h LEU 18 N -0.14 0.37 -0.28 2.25 -0.00 -1.18 -0.69 115.31 115.63 2aor h LEU 18 Ca 0.02 -0.12 -0.17 0.00 -0.00 0.00 0.00 57.88 57.61 2aor h LEU 18 Cb 0.24 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2aor h LEU 18 CO 0.00 0.63 -0.50 -1.28 -0.00 0.00 0.00 178.44 177.29 2aor h SER 19 N 0.33 0.92 -0.73 -0.43 0.87 -0.80 -1.03 113.55 112.68 2aor h SER 19 Ca 0.05 -0.53 -0.03 0.00 -1.23 0.00 0.00 61.79 60.05 2aor h SER 19 Cb 0.63 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 2aor h SER 19 CO 0.05 1.28 0.33 -0.61 -0.53 0.00 0.00 176.83 177.34 2aor h GLN 20 N 0.60 1.07 -0.36 2.24 5.75 -1.11 -0.27 115.11 123.02 2aor h GLN 20 Ca 0.02 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2aor h GLN 20 Cb 1.11 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 2aor h GLN 20 CO 0.11 0.85 0.16 0.00 -2.65 0.00 0.00 178.83 177.31 2aor h ALA 21 N 1.16 0.47 0.00 3.38 0.00 -0.98 -2.10 119.26 121.19 2aor h ALA 21 Ca 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2aor h ALA 21 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2aor h ALA 21 CO -0.03 0.05 -0.22 1.96 0.00 0.00 0.00 179.25 181.01 2aor h GLN 22 N 0.45 0.00 0.00 0.00 1.08 -0.89 -2.89 115.11 112.86 2aor h GLN 22 Ca 0.12 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 2aor h GLN 22 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2aor h GLN 22 CO -0.01 0.22 -0.21 0.66 -0.95 0.00 0.00 178.83 178.53 2aor h SER 23 N 0.00 0.00 0.17 1.46 4.64 -0.40 -3.20 113.55 116.21 2aor h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aor h SER 23 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2aor h SER 23 CO 0.03 0.21 -0.25 2.30 -0.87 0.00 0.00 176.83 178.25 2aor n ILE 24 N -3.16 0.00 -1.80 0.95 -5.35 -0.91 -4.90 119.36 104.19 2aor n ILE 24 Ca 0.03 -0.17 -0.42 0.00 -0.27 0.00 0.00 62.75 61.93 2aor n ILE 24 Cb 0.61 0.55 -0.02 0.00 -1.74 0.00 0.00 39.64 39.03 2aor n ILE 24 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2aor s ALA 25 N -2.43 3.78 0.00 -1.28 0.00 -1.18 -2.02 121.76 118.63 2aor s ALA 25 Ca 0.25 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2aor s ALA 25 Cb 0.19 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2aor s ALA 25 CO 0.50 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2aor n GLY 26 N 2.70 2.11 3.81 0.00 0.00 0.49 -4.98 105.19 109.31 2aor n GLY 26 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2aor n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aor s LEU 27 N 0.00 3.71 0.38 0.99 1.43 -0.85 -4.73 118.68 119.61 2aor s LEU 27 Ca 0.00 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 54.90 2aor s LEU 27 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2aor s LEU 27 CO 0.00 -0.82 0.61 0.42 0.23 0.00 0.00 176.35 176.79 2aor s THR 28 N -2.25 4.98 0.35 5.49 -4.23 -1.26 -1.07 115.64 117.65 2aor s THR 28 Ca 0.64 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2aor s THR 28 Cb -0.14 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 70.14 2aor s THR 28 CO 0.26 -0.60 1.97 -0.26 -0.54 0.00 0.00 174.62 175.45 2aor h PHE 29 N 0.62 0.83 -0.21 3.99 0.04 -0.86 -1.89 116.94 119.47 2aor h PHE 29 Ca -0.49 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.28 2aor h PHE 29 Cb 1.22 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 2aor h PHE 29 CO 0.52 0.47 0.03 0.78 -0.60 0.00 0.00 178.31 179.51 2aor h GLY 30 N 0.85 0.37 1.02 -1.45 0.00 -1.37 -0.01 103.07 102.48 2aor h GLY 30 Ca 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2aor h GLY 30 CO -0.09 0.23 0.44 0.83 0.00 0.00 0.00 176.54 177.95 2aor h GLU 31 N 0.13 1.11 -0.12 4.80 5.08 -1.67 -0.87 114.58 123.04 2aor h GLU 31 Ca 0.06 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2aor h GLU 31 Cb 0.33 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2aor h GLU 31 CO 0.00 0.82 -0.01 1.25 -1.00 0.00 0.00 179.01 180.07 2aor h LEU 32 N 1.10 0.23 -1.09 1.33 6.46 -1.26 -2.03 115.31 120.05 2aor h LEU 32 Ca 0.28 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2aor h LEU 32 Cb 0.03 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 2aor h LEU 32 CO -0.05 0.50 0.45 0.00 -0.62 0.00 0.00 178.44 178.73 2aor h ALA 33 N 0.73 1.31 -0.44 1.25 0.00 -0.87 -1.26 119.26 119.98 2aor h ALA 33 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2aor h ALA 33 Cb 0.39 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2aor h ALA 33 CO 0.01 0.58 0.15 -0.44 0.00 0.00 0.00 179.25 179.55 2aor h ASP 34 N 1.09 0.63 -0.93 0.00 3.45 -1.07 0.26 116.42 119.85 2aor h ASP 34 Ca 0.28 -0.19 0.07 0.00 0.43 0.00 0.00 57.03 57.62 2aor h ASP 34 Cb -0.01 -0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 38.54 2aor h ASP 34 CO -0.05 0.65 0.60 -0.33 -1.57 0.00 0.00 179.24 178.54 2aor h GLU 35 N 0.57 1.03 -0.02 3.56 5.08 -0.73 -1.12 114.58 122.94 2aor h GLU 35 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2aor h GLU 35 Cb 0.23 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2aor h GLU 35 CO -0.01 0.68 0.00 1.28 -1.00 0.00 0.00 179.01 179.96 2aor n LEU 36 N -4.49 1.27 -3.71 1.33 4.77 -0.53 -4.93 117.00 110.71 2aor n LEU 36 Ca 0.14 -0.43 -0.24 0.00 -0.03 0.00 0.00 56.01 55.45 2aor n LEU 36 Cb 0.20 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 2aor n LEU 36 CO 0.33 0.22 0.07 1.41 -1.33 0.00 0.00 177.39 178.09 2aor n HIS 37 N 0.00 -2.26 -4.42 -1.77 8.25 0.36 -4.98 115.22 110.40 2aor n HIS 37 Ca 0.20 0.91 -0.33 0.00 -0.26 0.00 0.00 57.72 58.23 2aor n HIS 37 Cb 0.31 -4.50 -0.15 0.00 1.12 0.00 0.00 29.99 26.78 2aor n HIS 37 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2aor s ILE 38 N -3.44 2.88 0.39 1.59 1.01 0.65 -5.02 121.20 119.26 2aor s ILE 38 Ca 0.32 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 60.01 2aor s ILE 38 Cb -0.15 -2.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.99 2aor s ILE 38 CO 0.79 0.50 1.28 -2.16 0.00 0.00 0.00 174.94 175.35 2aor s PRO 39 N 0.88 4.05 -0.22 2.79 0.04 -1.26 -4.40 135.00 136.87 2aor s PRO 39 Ca -0.03 2.12 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 2aor s PRO 39 Cb -0.15 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 2aor s PRO 39 CO -0.00 -0.41 0.11 0.08 0.04 0.00 0.00 177.00 176.81 2aor s VAL 40 N -1.26 4.90 1.04 -0.36 1.01 -1.26 -5.10 120.40 119.37 2aor s VAL 40 Ca 0.55 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 2aor s VAL 40 Cb -0.37 -3.26 0.21 0.00 0.00 0.00 0.00 36.38 32.95 2aor s VAL 40 CO 0.48 0.38 1.11 -2.16 0.00 0.00 0.00 175.10 174.91 2aor s PRO 41 N 1.01 0.10 0.15 2.72 0.04 -1.26 -4.96 135.00 132.80 2aor s PRO 41 Ca 0.05 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.35 2aor s PRO 41 Cb -0.14 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2aor s PRO 41 CO 0.03 -2.91 1.40 0.82 0.04 0.00 0.00 177.00 176.39 2aor h ILE 42 N -2.01 1.33 -2.46 0.56 2.04 -2.02 -3.45 117.51 111.49 2aor h ILE 42 Ca -0.52 -1.99 -0.04 0.00 1.00 0.00 0.00 64.86 63.31 2aor h ILE 42 Cb 1.32 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 2aor h ILE 42 CO 0.53 0.62 0.06 -0.90 0.00 0.00 0.00 178.15 178.45 2aor n ASP 43 N -3.90 -0.74 -1.18 1.72 5.68 -1.26 -4.46 116.55 112.41 2aor n ASP 43 Ca -0.05 -1.60 0.12 0.00 -0.50 0.00 0.00 54.79 52.75 2aor n ASP 43 Cb 0.70 1.25 0.24 0.00 -1.14 0.00 0.00 41.12 42.17 2aor n ASP 43 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2aor n LEU 44 N 0.00 3.50 -0.28 -2.12 4.77 -1.26 -4.55 117.00 117.06 2aor n LEU 44 Ca -0.02 -1.55 0.06 0.00 -0.03 0.00 0.00 56.01 54.47 2aor n LEU 44 Cb 0.21 -0.29 0.20 0.00 -2.33 0.00 0.00 43.42 41.22 2aor n LEU 44 CO 0.10 0.77 1.07 0.11 -1.33 0.00 0.00 177.39 178.11 2aor h LYS 45 N 4.41 0.54 -0.19 3.23 1.57 -1.98 -2.06 116.57 122.09 2aor h LYS 45 Ca 0.00 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2aor h LYS 45 Cb 0.98 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.11 2aor h LYS 45 CO 0.00 0.36 -0.26 0.54 -0.57 0.00 0.00 179.45 179.52 2aor n ARG 46 N -4.91 1.73 -2.71 3.15 5.12 -1.26 -4.60 116.66 113.18 2aor n ARG 46 Ca 0.15 -3.23 -0.08 0.00 -1.93 0.00 0.00 57.85 52.77 2aor n ARG 46 Cb 0.41 -1.73 0.11 0.00 -1.16 0.00 0.00 32.46 30.09 2aor n ARG 46 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2aor n ASP 47 N -1.12 -1.96 -0.10 0.55 9.92 -0.82 -5.02 116.55 117.99 2aor n ASP 47 Ca 0.27 -2.78 0.12 0.00 -0.53 0.00 0.00 54.79 51.86 2aor n ASP 47 Cb 0.88 1.22 0.49 0.00 -0.64 0.00 0.00 41.12 43.08 2aor n ASP 47 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2aor h LYS 48 N 2.27 0.41 -0.52 -1.24 1.57 -1.68 -2.01 116.57 115.38 2aor h LYS 48 Ca -0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2aor h LYS 48 Cb 1.25 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 2aor h LYS 48 CO -0.01 0.27 0.01 0.41 -0.57 0.00 0.00 179.45 179.57 2aor n GLY 49 N -1.52 3.26 0.23 3.86 0.00 -1.26 -4.61 105.19 105.15 2aor n GLY 49 Ca 0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 2aor n GLY 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2aor h TRP 50 N 3.49 0.78 -0.60 1.61 7.01 -1.75 -0.97 115.95 125.51 2aor h TRP 50 Ca 0.01 -0.10 -0.10 0.00 2.11 0.00 0.00 58.89 60.82 2aor h TRP 50 Cb 1.89 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 28.71 2aor h TRP 50 CO 0.98 0.72 -0.01 0.28 -2.79 0.00 0.00 178.44 177.62 2aor h VAL 51 N 0.62 1.27 -0.61 2.65 2.07 -1.81 -0.47 116.25 119.96 2aor h VAL 51 Ca 0.14 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 2aor h VAL 51 Cb 0.33 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2aor h VAL 51 CO 0.00 0.42 0.21 1.23 0.02 0.00 0.00 177.57 179.46 2aor h GLY 52 N 0.99 0.97 1.53 2.17 0.00 -1.83 -1.64 103.07 105.26 2aor h GLY 52 Ca 0.17 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.81 2aor h GLY 52 CO 0.03 0.49 -0.62 -0.33 0.00 0.00 0.00 176.54 176.11 2aor h MET 53 N 0.88 0.48 -0.36 4.80 2.07 -0.87 -2.50 114.93 119.43 2aor h MET 53 Ca 0.20 -0.33 0.01 0.00 -2.07 0.00 0.00 59.70 57.51 2aor h MET 53 Cb 0.22 0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.98 2aor h MET 53 CO -0.01 0.95 0.22 1.25 1.07 0.00 0.00 176.91 180.39 2aor h LEU 54 N 0.35 0.37 -1.00 1.22 5.85 -0.54 -1.35 115.31 120.22 2aor h LEU 54 Ca -0.01 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2aor h LEU 54 Cb 1.17 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2aor h LEU 54 CO 0.11 0.27 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.10 2aor h LEU 55 N 0.45 0.35 -0.55 2.25 -0.00 -1.26 -1.89 115.31 114.67 2aor h LEU 55 Ca 0.14 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 2aor h LEU 55 Cb -0.03 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 2aor h LEU 55 CO -0.05 0.65 0.21 -0.33 -0.00 0.00 0.00 178.44 178.92 2aor h GLU 56 N 0.30 0.82 -0.17 1.13 5.08 -0.97 -1.45 114.58 119.32 2aor h GLU 56 Ca 0.04 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2aor h GLU 56 Cb 0.70 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2aor h GLU 56 CO 0.05 0.72 0.08 0.00 -1.00 0.00 0.00 179.01 178.87 2aor h ARG 57 N 0.74 0.25 0.00 2.33 2.47 -1.02 0.49 114.38 119.64 2aor h ARG 57 Ca 0.18 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 2aor h ARG 57 Cb 0.21 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2aor h ARG 57 CO -0.01 0.28 -0.15 0.00 0.56 0.00 0.00 179.97 180.65 2aor h ALA 58 N 0.95 1.22 -0.28 0.04 0.00 -1.19 -3.12 119.26 116.89 2aor h ALA 58 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2aor h ALA 58 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2aor h ALA 58 CO -0.01 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.71 2aor n LEU 59 N -3.58 2.85 0.00 0.00 4.77 -0.56 -4.99 117.00 115.48 2aor n LEU 59 Ca -0.01 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 2aor n LEU 59 Cb 0.28 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2aor n LEU 59 CO 0.31 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 2aor n GLY 60 N 0.89 0.47 3.89 -0.72 0.00 -0.70 -4.50 105.19 104.53 2aor n GLY 60 Ca 0.13 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2aor n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aor s ALA 61 N -2.00 2.83 -0.16 4.61 0.00 0.08 -3.19 121.76 123.92 2aor s ALA 61 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 2aor s ALA 61 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2aor s ALA 61 CO 0.00 -1.36 0.08 0.95 0.00 0.00 0.00 175.76 175.43 2aor s THR 62 N -3.43 4.96 0.34 0.00 -4.23 -1.26 -4.55 115.64 107.47 2aor s THR 62 Ca 0.60 0.02 -0.28 0.00 -1.18 0.00 0.00 61.69 60.84 2aor s THR 62 Cb -0.11 -3.21 -0.10 0.00 1.34 0.00 0.00 72.50 70.42 2aor s THR 62 CO 0.50 0.50 1.28 0.00 -0.54 0.00 0.00 174.62 176.36 2aor s ALA 63 N -0.03 3.43 0.00 3.99 0.00 -1.26 -3.03 121.76 124.86 2aor s ALA 63 Ca 0.07 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2aor s ALA 63 Cb -0.12 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2aor s ALA 63 CO 0.01 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2aor n GLY 64 N 0.79 2.51 3.37 0.00 0.00 -1.26 -4.97 105.19 105.63 2aor n GLY 64 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 2aor n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aor n SER 65 N 0.53 -1.74 -0.36 1.61 2.88 -1.17 -4.93 113.62 110.44 2aor n SER 65 Ca 0.00 0.98 0.08 0.00 -1.33 0.00 0.00 58.87 58.60 2aor n SER 65 Cb 0.00 -0.95 0.16 0.00 -0.75 0.00 0.00 64.21 62.67 2aor n SER 65 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2aor n LYS 66 N 1.08 1.35 -1.78 -1.46 4.76 -1.26 -5.06 118.16 115.79 2aor n LYS 66 Ca 0.14 -2.84 -0.33 0.00 -2.87 0.00 0.00 58.31 52.41 2aor n LYS 66 Cb 0.33 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.07 2aor n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2aor s ALA 67 N -2.88 2.55 0.22 7.82 0.00 -1.26 -4.95 121.76 123.26 2aor s ALA 67 Ca 0.34 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 2aor s ALA 67 Cb 0.32 -3.27 0.26 0.00 0.00 0.00 0.00 23.12 20.42 2aor s ALA 67 CO -0.02 -1.17 1.83 1.49 0.00 0.00 0.00 175.76 177.89 2aor h GLU 68 N -0.02 0.81 -6.33 0.00 4.57 -2.02 -3.42 114.58 108.17 2aor h GLU 68 Ca -0.46 -0.05 -0.61 0.00 -1.18 0.00 0.00 59.36 57.06 2aor h GLU 68 Cb 1.23 -0.18 -0.24 0.00 -0.16 0.00 0.00 28.75 29.40 2aor h GLU 68 CO 0.55 0.53 -0.85 -0.65 -1.18 0.00 0.00 179.01 177.42 2aor s GLN 69 N -6.09 1.38 0.27 1.92 -0.21 -1.26 -4.75 119.66 110.92 2aor s GLN 69 Ca -0.13 -1.09 -0.03 0.00 0.02 0.00 0.00 55.36 54.14 2aor s GLN 69 Cb 0.17 -1.60 0.38 0.00 1.00 0.00 0.00 33.01 32.96 2aor s GLN 69 CO 0.77 0.40 1.91 -0.44 -2.12 0.00 0.00 175.29 175.81 2aor h ASP 70 N 4.49 1.05 -2.86 5.90 3.32 -1.80 -3.22 116.42 123.31 2aor h ASP 70 Ca -0.45 -0.01 -0.61 0.00 0.02 0.00 0.00 57.03 55.98 2aor h ASP 70 Cb 1.16 -0.23 -0.41 0.00 0.22 0.00 0.00 39.33 40.07 2aor h ASP 70 CO 0.42 0.71 -0.66 0.49 -1.72 0.00 0.00 179.24 178.48 2aor n PHE 71 N -4.45 2.42 -0.29 4.55 3.01 -0.18 -4.67 117.46 117.84 2aor n PHE 71 Ca 0.14 -4.10 0.01 0.00 1.01 0.00 0.00 57.45 54.51 2aor n PHE 71 Cb 0.12 -0.45 0.15 0.00 -0.01 0.00 0.00 39.48 39.29 2aor n PHE 71 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2aor h SER 72 N 5.32 0.73 0.25 4.37 0.02 -1.78 0.20 113.55 122.65 2aor h SER 72 Ca 0.18 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2aor h SER 72 Cb 0.78 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2aor h SER 72 CO 0.66 0.45 -0.18 1.12 -1.14 0.00 0.00 176.83 177.73 2aor h HIS 73 N 0.86 0.00 0.00 3.45 2.07 -1.93 -2.65 115.15 116.95 2aor h HIS 73 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 2aor h HIS 73 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 2aor h HIS 73 CO -0.05 0.18 -1.25 1.28 -3.07 0.00 0.00 177.93 175.02 2aor n LEU 74 N -4.09 0.59 -1.63 6.12 4.77 -0.69 -4.99 117.00 117.08 2aor n LEU 74 Ca -0.02 -0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.70 2aor n LEU 74 Cb 0.26 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2aor n LEU 74 CO 0.35 0.10 0.08 0.61 -1.33 0.00 0.00 177.39 177.20 2aor n GLY 75 N 1.39 0.36 3.11 -0.72 0.00 0.61 -5.05 105.19 104.89 2aor n GLY 75 Ca 0.01 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 2aor n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aor s VAL 76 N -3.07 1.11 -0.12 1.61 1.01 -0.71 -4.55 120.40 115.67 2aor s VAL 76 Ca 0.21 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2aor s VAL 76 Cb -0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2aor s VAL 76 CO 0.26 0.31 -0.08 -0.70 0.00 0.00 0.00 175.10 174.89 2aor s GLU 77 N -0.34 3.31 -0.17 2.72 2.56 -0.36 -1.01 118.70 125.40 2aor s GLU 77 Ca 0.05 -0.60 -0.10 0.00 0.00 0.00 0.00 54.97 54.32 2aor s GLU 77 Cb -0.05 -2.71 -0.05 0.00 2.00 0.00 0.00 34.13 33.32 2aor s GLU 77 CO -0.01 0.34 0.17 -1.17 -0.56 0.00 0.00 175.26 174.04 2aor s LEU 78 N 0.05 4.26 -0.09 2.70 2.96 -1.26 0.03 118.68 127.31 2aor s LEU 78 Ca -0.02 0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.19 2aor s LEU 78 Cb -0.14 -2.15 0.05 0.00 0.50 0.00 0.00 46.19 44.45 2aor s LEU 78 CO 0.03 0.21 0.20 -0.54 -1.32 0.00 0.00 176.35 174.93 2aor s LYS 79 N 0.09 0.12 0.44 1.98 1.02 -0.84 -4.95 119.74 117.61 2aor s LYS 79 Ca 0.11 0.55 -0.18 0.00 0.02 0.00 0.00 55.97 56.48 2aor s LYS 79 Cb -0.12 -0.16 -0.09 0.00 -0.52 0.00 0.00 37.83 36.94 2aor s LYS 79 CO 0.01 -0.23 0.92 0.95 -0.92 0.00 0.00 175.35 176.07 2aor s THR 80 N 1.79 4.52 -0.23 2.17 -4.23 -1.26 -1.23 115.64 117.16 2aor s THR 80 Ca -0.03 1.23 -0.03 0.00 -1.18 0.00 0.00 61.69 61.68 2aor s THR 80 Cb -0.12 -3.66 0.07 0.00 1.34 0.00 0.00 72.50 70.14 2aor s THR 80 CO -0.07 -0.46 0.06 -0.22 -0.54 0.00 0.00 174.62 173.39 2aor s LEU 81 N -3.55 1.30 0.10 4.79 2.96 -0.54 -4.85 118.68 118.89 2aor s LEU 81 Ca 0.59 -1.04 -0.31 0.00 -0.22 0.00 0.00 54.13 53.15 2aor s LEU 81 Cb -0.10 -0.61 -0.08 0.00 0.50 0.00 0.00 46.19 45.90 2aor s LEU 81 CO 0.22 -0.35 1.54 -2.16 -1.32 0.00 0.00 176.35 174.29 2aor s PRO 82 N 1.85 4.24 0.03 0.98 0.04 -1.26 -1.67 135.00 139.19 2aor s PRO 82 Ca 0.02 2.25 0.07 0.00 0.04 0.00 0.00 61.00 63.38 2aor s PRO 82 Cb -0.17 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2aor s PRO 82 CO -0.15 -0.62 -0.21 0.96 0.04 0.00 0.00 177.00 177.03 2aor s ILE 83 N 1.81 1.65 0.83 0.56 -4.36 -0.01 -0.20 121.20 121.48 2aor s ILE 83 Ca 0.70 -1.11 -0.11 0.00 -0.26 0.00 0.00 60.65 59.86 2aor s ILE 83 Cb -0.40 -1.42 0.19 0.00 1.25 0.00 0.00 42.46 42.08 2aor s ILE 83 CO 0.31 0.28 1.13 -0.46 0.24 0.00 0.00 174.94 176.43 2aor n ASN 84 N 2.05 0.36 0.15 4.36 0.23 0.44 -1.56 115.26 121.28 2aor n ASN 84 Ca -0.17 -1.57 0.18 0.00 -0.53 0.00 0.00 54.58 52.49 2aor n ASN 84 Cb 0.53 -0.84 0.78 0.00 -2.08 0.00 0.00 39.78 38.18 2aor n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2aor h ALA 85 N -1.53 1.98 -0.53 -2.53 0.00 -1.97 0.41 119.26 115.09 2aor h ALA 85 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2aor h ALA 85 Cb 1.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2aor h ALA 85 CO 0.28 -0.45 0.00 0.39 0.00 0.00 0.00 179.25 179.47 2aor n GLU 86 N -3.83 2.55 -0.73 0.00 4.71 -1.26 -4.94 120.64 117.13 2aor n GLU 86 Ca 0.04 -2.37 0.00 0.00 -0.01 0.00 0.00 57.16 54.82 2aor n GLU 86 Cb 0.45 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 2aor n GLU 86 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2aor n GLY 87 N 1.55 0.60 3.87 0.62 0.00 0.14 -5.06 105.19 106.91 2aor n GLY 87 Ca 0.21 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2aor n GLY 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2aor s TYR 88 N -2.00 3.64 0.27 1.61 5.04 -1.26 -4.76 117.35 119.88 2aor s TYR 88 Ca 0.00 0.67 -0.30 0.00 -2.44 0.00 0.00 57.07 55.00 2aor s TYR 88 Cb 0.00 -2.04 -0.13 0.00 0.35 0.00 0.00 41.96 40.13 2aor s TYR 88 CO 0.00 0.70 1.28 -2.30 -1.34 0.00 0.00 175.55 173.89 2aor n PRO 89 N 1.87 1.84 0.06 4.97 -0.02 -1.26 -0.42 135.00 142.03 2aor n PRO 89 Ca -0.18 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 2aor n PRO 89 Cb 0.54 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 2aor n PRO 89 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aor n LEU 90 N 1.63 0.83 -4.04 2.45 4.77 0.72 -4.75 117.00 118.61 2aor n LEU 90 Ca 0.10 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 2aor n LEU 90 Cb 0.32 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 2aor n LEU 90 CO 0.62 -0.01 -0.17 -1.61 -1.33 0.00 0.00 177.39 174.89 2aor s GLU 91 N -3.13 0.98 0.88 3.23 0.41 -1.26 -5.07 118.70 114.74 2aor s GLU 91 Ca -0.02 -1.27 -0.12 0.00 -0.41 0.00 0.00 54.97 53.16 2aor s GLU 91 Cb 0.09 0.30 0.12 0.00 -1.78 0.00 0.00 34.13 32.87 2aor s GLU 91 CO 0.80 -0.31 1.10 0.95 -0.49 0.00 0.00 175.26 177.32 2aor s THR 92 N -3.99 2.53 -0.18 3.63 -4.23 -1.26 -4.71 115.64 107.44 2aor s THR 92 Ca 0.18 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 2aor s THR 92 Cb 0.06 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 2aor s THR 92 CO -0.01 -0.23 -0.05 -0.89 -0.54 0.00 0.00 174.62 172.90 2aor s THR 93 N -3.10 3.57 0.24 3.99 2.01 -0.87 -4.93 115.64 116.56 2aor s THR 93 Ca 0.63 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 2aor s THR 93 Cb -0.16 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.68 2aor s THR 93 CO 0.55 0.46 1.15 0.12 -0.69 0.00 0.00 174.62 176.21 2aor s PHE 94 N 0.87 3.49 -0.04 4.92 5.36 -1.26 -0.89 117.98 130.42 2aor s PHE 94 Ca -0.01 1.58 -0.09 0.00 -0.96 0.00 0.00 56.93 57.45 2aor s PHE 94 Cb -0.15 -3.36 -0.03 0.00 -0.34 0.00 0.00 43.02 39.14 2aor s PHE 94 CO 0.01 -0.87 -0.18 0.28 -1.46 0.00 0.00 175.22 173.01 2aor n VAL 95 N 1.69 1.35 -3.59 3.12 0.31 0.72 -4.92 118.33 117.01 2aor n VAL 95 Ca 0.01 0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.55 2aor n VAL 95 Cb 0.45 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 2aor n VAL 95 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2aor s SER 96 N -5.96 -0.21 0.17 4.52 1.04 -1.21 -4.99 113.70 107.06 2aor s SER 96 Ca -0.15 -0.08 -0.31 0.00 0.48 0.00 0.00 55.95 55.90 2aor s SER 96 Cb 0.02 0.28 -0.09 0.00 0.10 0.00 0.00 66.02 66.33 2aor s SER 96 CO 0.22 -0.47 1.38 -0.76 0.98 0.00 0.00 173.24 174.58 2aor s LEU 97 N -2.51 4.39 0.06 2.42 1.43 -1.26 -0.37 118.68 122.84 2aor s LEU 97 Ca 0.09 2.43 -0.30 0.00 -1.03 0.00 0.00 54.13 55.32 2aor s LEU 97 Cb -0.00 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 2aor s LEU 97 CO -0.05 -0.62 1.08 0.00 0.23 0.00 0.00 176.35 176.99 2aor s ALA 98 N 0.52 3.29 -0.55 4.21 0.00 -0.78 -4.85 121.76 123.60 2aor s ALA 98 Ca 0.61 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.99 2aor s ALA 98 Cb -0.38 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.38 2aor s ALA 98 CO 0.36 -0.29 1.38 -1.25 0.00 0.00 0.00 175.76 175.96 2aor s PRO 99 N 0.76 3.36 0.09 0.00 0.04 -1.26 -4.76 135.00 133.23 2aor s PRO 99 Ca 0.54 0.46 0.27 0.00 0.04 0.00 0.00 61.00 62.30 2aor s PRO 99 Cb -0.26 -4.10 0.84 0.00 0.04 0.00 0.00 34.50 31.02 2aor s PRO 99 CO 0.29 -1.87 1.70 1.28 0.04 0.00 0.00 177.00 178.44 2aor n LEU 100 N 9.34 0.45 -4.13 -3.56 4.77 -1.26 -4.69 117.00 117.93 2aor n LEU 100 Ca 0.12 0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 56.41 2aor n LEU 100 Cb 0.49 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 2aor n LEU 100 CO 0.71 -0.05 -0.36 0.68 -1.33 0.00 0.00 177.39 177.05 2aor s VAL 101 N -3.06 0.37 -1.57 4.08 -7.23 -1.26 -3.95 120.40 107.78 2aor s VAL 101 Ca 0.11 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 2aor s VAL 101 Cb 0.16 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.42 2aor s VAL 101 CO 0.61 -0.85 0.20 0.00 -0.31 0.00 0.00 175.10 174.75 2aor n GLN 102 N 0.01 -2.77 0.00 4.82 6.02 -1.26 -4.83 117.38 119.37 2aor n GLN 102 Ca -0.12 0.88 0.13 0.00 -0.01 0.00 0.00 57.00 57.88 2aor n GLN 102 Cb 0.61 -5.59 0.38 0.00 1.02 0.00 0.00 30.24 26.66 2aor n GLN 102 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2aor n ASN 103 N -2.14 1.13 0.00 1.08 0.23 -1.26 -4.96 115.26 109.34 2aor n ASN 103 Ca -0.18 -0.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 2aor n ASN 103 Cb 0.65 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.48 2aor n ASN 103 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2aor n SER 104 N -0.52 0.00 -1.50 0.53 3.41 -1.26 -2.24 113.62 112.03 2aor n SER 104 Ca 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 2aor n SER 104 Cb 0.36 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.40 2aor n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aor n GLY 105 N 0.00 5.80 3.62 5.00 0.00 -1.26 -5.03 105.19 113.32 2aor n GLY 105 Ca 0.00 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 2aor n GLY 105 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aor n VAL 106 N -0.85 3.06 -4.01 1.61 0.24 -0.95 -5.00 118.33 112.43 2aor n VAL 106 Ca 0.34 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.92 2aor n VAL 106 Cb 0.87 -1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 31.98 2aor n VAL 106 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2aor s LYS 107 N -2.41 2.80 0.20 7.34 -0.14 -1.26 -5.02 119.74 121.25 2aor s LYS 107 Ca 0.69 -1.18 -0.11 0.00 -1.36 0.00 0.00 55.97 54.01 2aor s LYS 107 Cb -0.48 -2.50 0.15 0.00 -1.68 0.00 0.00 37.83 33.32 2aor s LYS 107 CO 0.52 0.27 1.84 2.35 -0.76 0.00 0.00 175.35 179.58 2aor h TRP 108 N 1.42 0.75 -1.16 3.18 2.91 -1.96 -2.73 115.95 118.35 2aor h TRP 108 Ca -0.47 0.02 0.37 0.00 1.13 0.00 0.00 58.89 59.94 2aor h TRP 108 Cb 1.25 -0.24 -0.13 0.00 -0.51 0.00 0.00 29.16 29.52 2aor h TRP 108 CO 0.55 0.43 0.73 0.93 -1.03 0.00 0.00 178.44 180.05 2aor h GLU 109 N 0.79 0.20 -0.06 2.65 3.07 -2.02 -0.22 114.58 118.99 2aor h GLU 109 Ca 0.25 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 2aor h GLU 109 Cb 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2aor h GLU 109 CO -0.09 0.13 -0.42 0.27 -1.40 0.00 0.00 179.01 177.50 2aor n ASN 110 N -4.79 1.84 -4.90 1.42 0.23 -1.05 -4.88 115.26 103.14 2aor n ASN 110 Ca 0.33 -3.88 -0.29 0.00 -0.53 0.00 0.00 54.58 50.22 2aor n ASN 110 Cb 1.19 -0.55 0.02 0.00 -2.08 0.00 0.00 39.78 38.36 2aor n ASN 110 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2aor s SER 111 N -3.12 6.00 0.13 0.53 1.04 -0.10 -4.91 113.70 113.27 2aor s SER 111 Ca 0.39 1.05 -0.14 0.00 0.48 0.00 0.00 55.95 57.73 2aor s SER 111 Cb 0.37 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 64.34 2aor s SER 111 CO -0.06 -0.87 1.59 0.45 0.98 0.00 0.00 173.24 175.33 2aor h HIS 112 N -0.14 0.80 -0.11 5.02 3.86 -1.92 -2.49 115.15 120.16 2aor h HIS 112 Ca -0.45 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 58.66 2aor h HIS 112 Cb 1.22 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 2aor h HIS 112 CO 0.57 0.79 -0.09 0.28 0.86 0.00 0.00 177.93 180.34 2aor h VAL 113 N 0.59 0.75 -0.22 2.45 2.07 -1.94 0.17 116.25 120.11 2aor h VAL 113 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2aor h VAL 113 Cb 0.45 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2aor h VAL 113 CO 0.02 0.00 0.12 -0.09 0.02 0.00 0.00 177.57 177.63 2aor h ARG 114 N -0.09 0.24 0.13 1.57 2.43 -1.81 -0.04 114.38 116.81 2aor h ARG 114 Ca 0.07 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2aor h ARG 114 Cb 0.20 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2aor h ARG 114 CO -0.17 0.16 -0.18 1.25 -1.51 0.00 0.00 179.97 179.51 2aor h HIS 115 N 0.25 -0.48 -0.36 2.20 2.76 -1.05 -0.21 115.15 118.27 2aor h HIS 115 Ca 0.09 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2aor h HIS 115 Cb 0.01 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2aor h HIS 115 CO -0.09 -0.27 0.14 0.87 -1.30 0.00 0.00 177.93 177.28 2aor h LYS 116 N -0.37 0.50 -0.64 5.26 1.57 -0.51 -2.69 116.57 119.68 2aor h LYS 116 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2aor h LYS 116 Cb 0.37 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2aor h LYS 116 CO -0.08 0.41 0.00 1.28 -0.57 0.00 0.00 179.45 180.49 2aor n LEU 117 N -4.40 3.77 0.12 2.94 4.77 -0.04 -4.35 117.00 119.81 2aor n LEU 117 Ca 0.02 -1.89 -0.03 0.00 -0.03 0.00 0.00 56.01 54.08 2aor n LEU 117 Cb 0.14 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 40.91 2aor n LEU 117 CO 0.37 0.80 0.51 0.77 -1.33 0.00 0.00 177.39 178.50 2aor h SER 118 N 3.67 0.12 -1.47 -1.43 4.64 -0.69 -3.40 113.55 115.00 2aor h SER 118 Ca 0.00 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 2aor h SER 118 Cb 1.05 -0.03 -0.26 0.00 -0.31 0.00 0.00 62.40 62.85 2aor h SER 118 CO 0.09 0.68 -0.40 0.00 -0.87 0.00 0.00 176.83 176.33 2aor s VAL 120 N 2.68 2.53 -0.57 0.00 1.01 -0.24 -1.23 120.40 124.59 2aor s VAL 120 Ca 0.15 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 2aor s VAL 120 Cb -0.15 -1.99 0.12 0.00 0.00 0.00 0.00 36.38 34.36 2aor s VAL 120 CO -0.20 0.56 0.59 -0.22 0.00 0.00 0.00 175.10 175.83 2aor s LEU 121 N 0.04 5.89 0.01 3.92 2.96 0.10 -0.77 118.68 130.84 2aor s LEU 121 Ca -0.08 -1.68 -0.26 0.00 -0.22 0.00 0.00 54.13 51.89 2aor s LEU 121 Cb -0.15 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2aor s LEU 121 CO 0.05 -0.95 0.82 0.26 -1.32 0.00 0.00 176.35 175.21 2aor s TRP 122 N 1.98 3.68 -0.40 5.38 0.52 0.50 -1.98 118.94 128.61 2aor s TRP 122 Ca 0.07 1.50 0.03 0.00 0.02 0.00 0.00 56.10 57.71 2aor s TRP 122 Cb -0.27 -2.91 0.11 0.00 -1.15 0.00 0.00 33.47 29.25 2aor s TRP 122 CO 0.04 0.14 0.14 -1.64 0.02 0.00 0.00 176.95 175.65 2aor s MET 123 N 0.46 1.72 0.37 4.98 -1.94 -0.37 -1.22 119.30 123.31 2aor s MET 123 Ca 0.42 -2.06 -0.27 0.00 -1.71 0.00 0.00 55.69 52.07 2aor s MET 123 Cb -0.20 -3.32 -0.09 0.00 2.01 0.00 0.00 34.83 33.23 2aor s MET 123 CO 0.23 -1.01 1.22 -2.14 -0.01 0.00 0.00 175.02 173.32 2aor s PRO 124 N 0.63 4.18 0.02 2.03 0.02 -1.26 -1.47 135.00 139.15 2aor s PRO 124 Ca 0.12 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.14 2aor s PRO 124 Cb -0.21 -2.85 -0.01 0.00 0.02 0.00 0.00 34.50 31.44 2aor s PRO 124 CO -0.06 -0.26 -0.03 0.96 -0.33 0.00 0.00 177.00 177.28 2aor s ILE 125 N -1.28 0.20 0.32 2.83 -4.36 -0.67 0.71 121.20 118.94 2aor s ILE 125 Ca 0.53 -0.59 -0.29 0.00 -0.26 0.00 0.00 60.65 60.05 2aor s ILE 125 Cb -0.35 -0.27 -0.11 0.00 1.25 0.00 0.00 42.46 42.99 2aor s ILE 125 CO 0.45 -0.25 1.43 -1.61 0.24 0.00 0.00 174.94 175.20 2aor s GLU 126 N -0.88 4.23 0.00 0.37 2.02 -0.38 -0.83 118.70 123.23 2aor s GLU 126 Ca -0.08 2.39 0.00 0.00 0.02 0.00 0.00 54.97 57.30 2aor s GLU 126 Cb -0.06 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.13 2aor s GLU 126 CO -0.00 -0.40 0.46 0.41 0.02 0.00 0.00 175.26 175.74 2aor n GLY 127 N 1.23 -0.31 3.68 -1.39 0.00 -0.60 -4.75 105.19 103.05 2aor n GLY 127 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2aor n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aor s SER 128 N -0.20 6.43 0.57 1.61 0.01 -1.26 -4.87 113.70 115.99 2aor s SER 128 Ca 0.00 2.73 0.28 0.00 1.31 0.00 0.00 55.95 60.27 2aor s SER 128 Cb 0.00 -2.56 1.49 0.00 0.21 0.00 0.00 66.02 65.16 2aor s SER 128 CO 0.00 -1.01 1.97 0.08 0.41 0.00 0.00 173.24 174.69 2aor h ARG 129 N 9.03 0.00 0.00 12.44 0.11 -1.97 -0.42 114.38 133.57 2aor h ARG 129 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2aor h ARG 129 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2aor h ARG 129 CO 0.95 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.63 2aor n HIS 130 N -4.00 0.00 -3.69 4.08 1.44 -1.26 -4.65 115.22 107.14 2aor n HIS 130 Ca 0.08 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.42 2aor n HIS 130 Cb 0.60 -0.23 -0.12 0.00 0.12 0.00 0.00 29.99 30.36 2aor n HIS 130 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2aor s ILE 131 N -2.46 4.68 0.33 0.61 1.01 -0.17 -5.06 121.20 120.14 2aor s ILE 131 Ca 0.27 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.57 2aor s ILE 131 Cb 0.18 -3.23 -0.13 0.00 0.01 0.00 0.00 42.46 39.29 2aor s ILE 131 CO 0.38 0.28 1.17 -2.65 0.00 0.00 0.00 174.94 174.12 2aor n PRO 132 N 4.98 1.79 -0.27 2.79 -0.02 -1.26 -4.79 135.00 138.20 2aor n PRO 132 Ca -0.15 0.63 0.02 0.00 -2.02 0.00 0.00 63.50 61.97 2aor n PRO 132 Cb 0.51 -2.13 0.09 0.00 -0.02 0.00 0.00 33.50 31.95 2aor n PRO 132 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2aor h LEU 133 N 2.27 -0.77 -2.15 2.45 5.85 -1.89 0.11 115.31 121.18 2aor h LEU 133 Ca -0.44 0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.55 2aor h LEU 133 Cb 1.31 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 2aor h LEU 133 CO 0.61 -0.26 0.08 0.03 -0.34 0.00 0.00 178.44 178.56 2aor h ARG 134 N -0.01 0.00 -0.01 1.25 3.08 -1.88 -2.67 114.38 114.14 2aor h ARG 134 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2aor h ARG 134 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2aor h ARG 134 CO -0.81 0.00 -0.16 0.39 -1.07 0.00 0.00 179.97 178.33 2aor n GLU 135 N -4.23 1.11 -2.45 0.04 1.02 0.39 -1.16 120.64 115.36 2aor n GLU 135 Ca -0.01 -0.63 -0.39 0.00 -0.02 0.00 0.00 57.16 56.11 2aor n GLU 135 Cb 0.19 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 2aor n GLU 135 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2aor s ARG 136 N -2.32 4.44 0.10 3.49 0.52 -1.01 -4.81 118.95 119.36 2aor s ARG 136 Ca 0.30 1.77 -0.04 0.00 -0.52 0.00 0.00 55.73 57.23 2aor s ARG 136 Cb 0.20 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 2aor s ARG 136 CO 0.45 0.04 0.33 -1.01 0.02 0.00 0.00 175.30 175.13 2aor s HIS 137 N -1.30 3.51 -0.07 -0.53 3.76 -1.26 -0.60 115.29 118.79 2aor s HIS 137 Ca 0.49 0.51 -0.18 0.00 -0.15 0.00 0.00 55.06 55.73 2aor s HIS 137 Cb -0.30 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.38 2aor s HIS 137 CO 0.38 0.50 0.50 0.42 -0.85 0.00 0.00 174.74 175.69 2aor s ILE 138 N -1.55 5.10 0.24 0.60 1.01 -0.23 -1.25 121.20 125.11 2aor s ILE 138 Ca 0.37 1.02 -0.03 0.00 0.00 0.00 0.00 60.65 62.01 2aor s ILE 138 Cb -0.13 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.56 2aor s ILE 138 CO 0.23 0.38 0.33 0.61 0.00 0.00 0.00 174.94 176.50 2aor n GLY 139 N 2.85 -0.35 3.78 6.18 0.00 0.22 -0.38 105.19 117.50 2aor n GLY 139 Ca -0.08 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 2aor n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aor s ALA 140 N -3.49 3.38 0.66 4.61 0.00 -1.26 -4.43 121.76 121.23 2aor s ALA 140 Ca 0.20 0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 2aor s ALA 140 Cb -0.01 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2aor s ALA 140 CO 0.14 0.26 1.21 -1.25 0.00 0.00 0.00 175.76 176.11 2aor s PRO 141 N -1.49 2.57 -0.22 0.00 0.04 -1.26 -4.45 135.00 130.19 2aor s PRO 141 Ca 0.41 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.23 2aor s PRO 141 Cb -0.22 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.49 2aor s PRO 141 CO 0.26 -1.51 -0.07 0.42 0.04 0.00 0.00 177.00 176.14 2aor s ILE 142 N -1.81 1.59 -0.49 0.56 1.01 -0.35 -4.98 121.20 116.72 2aor s ILE 142 Ca 0.76 -1.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 2aor s ILE 142 Cb -0.30 -1.77 0.05 0.00 0.01 0.00 0.00 42.46 40.45 2aor s ILE 142 CO 0.40 0.02 0.65 0.12 0.00 0.00 0.00 174.94 176.13 2aor s PHE 143 N 1.39 3.03 0.04 3.97 5.36 -1.26 -0.37 117.98 130.14 2aor s PHE 143 Ca -0.04 -0.35 0.07 0.00 -0.96 0.00 0.00 56.93 55.65 2aor s PHE 143 Cb -0.18 -3.51 -0.03 0.00 -0.34 0.00 0.00 43.02 38.96 2aor s PHE 143 CO -0.07 -1.01 -0.19 -0.46 -1.46 0.00 0.00 175.22 172.04 2aor s TRP 144 N 2.80 2.54 -0.06 10.12 -0.00 0.05 -4.99 118.94 129.40 2aor s TRP 144 Ca 0.18 -0.27 0.01 0.00 -0.00 0.00 0.00 56.10 56.03 2aor s TRP 144 Cb -0.17 -1.46 0.02 0.00 -0.00 0.00 0.00 33.47 31.86 2aor s TRP 144 CO 0.15 0.24 -0.08 0.15 -0.00 0.00 0.00 176.95 177.40 2aor s LYS 145 N -1.41 1.33 0.38 5.86 3.01 -1.26 -1.08 119.74 126.58 2aor s LYS 145 Ca 0.14 -0.26 -0.28 0.00 -1.01 0.00 0.00 55.97 54.56 2aor s LYS 145 Cb -0.10 -1.22 -0.11 0.00 -1.01 0.00 0.00 37.83 35.39 2aor s LYS 145 CO 0.05 -0.06 1.47 -1.25 0.51 0.00 0.00 175.35 176.07 2aor s PRO 146 N 0.95 4.08 0.85 -1.68 0.04 -1.26 -4.99 135.00 132.99 2aor s PRO 146 Ca -0.10 2.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.36 2aor s PRO 146 Cb -0.15 -2.94 0.10 0.00 0.04 0.00 0.00 34.50 31.55 2aor s PRO 146 CO 0.00 -0.54 1.13 0.95 0.04 0.00 0.00 177.00 178.58 2aor s THR 147 N -1.13 2.44 0.34 1.26 -4.23 -1.26 -4.72 115.64 108.34 2aor s THR 147 Ca 0.53 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 61.23 2aor s THR 147 Cb -0.46 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 70.75 2aor s THR 147 CO 0.62 -0.19 1.91 0.00 -0.54 0.00 0.00 174.62 176.42 2aor h ALA 148 N -1.27 1.67 0.06 3.99 0.00 -1.99 0.56 119.26 122.28 2aor h ALA 148 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2aor h ALA 148 Cb 1.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2aor h ALA 148 CO 0.62 0.16 -0.03 1.49 0.00 0.00 0.00 179.25 181.49 2aor h GLU 149 N 0.84 -0.07 -0.21 0.00 4.22 -1.99 -1.18 114.58 116.19 2aor h GLU 149 Ca 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.84 2aor h GLU 149 Cb 0.40 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2aor h GLU 149 CO -0.16 0.15 0.13 1.96 -2.18 0.00 0.00 179.01 178.91 2aor h GLN 150 N -0.28 0.28 -0.80 1.92 4.20 -1.68 -1.25 115.11 117.50 2aor h GLN 150 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2aor h GLN 150 Cb 0.25 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2aor h GLN 150 CO 0.01 0.22 0.51 1.49 -0.67 0.00 0.00 178.83 180.39 2aor h GLU 151 N 0.26 1.06 -0.32 1.46 4.81 -0.92 -0.83 114.58 120.11 2aor h GLU 151 Ca 0.07 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2aor h GLU 151 Cb 0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2aor h GLU 151 CO -0.01 0.72 0.13 -0.09 -0.73 0.00 0.00 179.01 179.02 2aor h ARG 152 N 1.09 0.47 -0.50 1.92 2.43 -0.75 -0.10 114.38 118.94 2aor h ARG 152 Ca 0.29 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2aor h ARG 152 Cb -0.10 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2aor h ARG 152 CO -0.06 0.47 0.27 1.96 -1.51 0.00 0.00 179.97 181.10 2aor h GLN 153 N 0.36 0.70 0.04 0.20 4.20 -0.68 -1.23 115.11 118.70 2aor h GLN 153 Ca 0.11 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2aor h GLN 153 Cb 0.18 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2aor h GLN 153 CO -0.01 0.55 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.62 2aor h LEU 154 N 0.66 -0.05 -0.77 1.46 3.38 -1.00 -1.94 115.31 117.05 2aor h LEU 154 Ca 0.17 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2aor h LEU 154 Cb 0.06 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 2aor h LEU 154 CO -0.03 0.05 0.43 0.50 0.09 0.00 0.00 178.44 179.49 2aor h LYS 155 N -0.14 0.73 -0.23 1.13 3.64 -0.85 0.21 116.57 121.07 2aor h LYS 155 Ca -0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2aor h LYS 155 Cb 0.12 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2aor h LYS 155 CO 0.01 0.48 0.10 0.37 -2.27 0.00 0.00 179.45 178.14 2aor h GLN 156 N 0.75 0.34 -0.43 1.90 4.15 -1.04 -1.34 115.11 119.44 2aor h GLN 156 Ca 0.37 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.70 2aor h GLN 156 Cb 0.31 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2aor h GLN 156 CO -0.23 0.38 0.17 -0.44 -1.93 0.00 0.00 178.83 176.78 2aor h ASP 157 N 0.23 0.59 -0.41 -0.69 3.32 -0.72 -1.96 116.42 116.78 2aor h ASP 157 Ca 0.08 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.03 2aor h ASP 157 Cb 0.16 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2aor h ASP 157 CO -0.01 0.60 0.05 -0.25 -1.72 0.00 0.00 179.24 177.91 2aor h TRP 158 N 0.55 0.07 -0.49 4.55 7.01 -0.38 0.55 115.95 127.81 2aor h TRP 158 Ca 0.14 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.06 2aor h TRP 158 Cb 0.19 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 2aor h TRP 158 CO 0.00 -0.03 -0.12 0.93 -2.79 0.00 0.00 178.44 176.43 2aor h GLU 159 N 0.17 0.95 -0.49 2.65 5.08 -1.13 0.28 114.58 122.09 2aor h GLU 159 Ca 0.20 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2aor h GLU 159 Cb 0.26 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2aor h GLU 159 CO -0.29 1.03 0.04 1.49 -1.00 0.00 0.00 179.01 180.27 2aor h GLU 160 N 0.80 0.78 0.02 2.33 4.81 -0.89 -0.92 114.58 121.52 2aor h GLU 160 Ca 0.12 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 2aor h GLU 160 Cb 0.68 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.98 2aor h GLU 160 CO 0.05 0.77 -0.65 -0.07 -0.73 0.00 0.00 179.01 178.37 2aor h LEU 161 N 0.74 0.53 -1.85 1.64 3.38 -0.74 -3.22 115.31 115.78 2aor h LEU 161 Ca 0.15 -0.79 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 2aor h LEU 161 Cb 0.40 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2aor h LEU 161 CO 0.01 1.26 -0.13 0.24 0.09 0.00 0.00 178.44 179.92 2aor h MET 162 N -0.14 0.00 -0.41 1.13 2.86 -0.34 -2.26 114.93 115.76 2aor h MET 162 Ca -0.09 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2aor h MET 162 Cb 1.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 2aor h MET 162 CO 0.13 0.13 0.01 -0.44 1.06 0.00 0.00 176.91 177.80 2aor h ASP 163 N 0.00 0.70 -0.83 1.22 3.32 -1.19 0.13 116.42 119.77 2aor h ASP 163 Ca -0.00 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 2aor h ASP 163 Cb 0.26 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2aor h ASP 163 CO 0.02 0.83 0.50 -0.07 -1.72 0.00 0.00 179.24 178.80 2aor h LEU 164 N 0.55 1.00 0.01 1.55 4.07 -1.44 -1.86 115.31 119.19 2aor h LEU 164 Ca 0.12 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 2aor h LEU 164 Cb 0.46 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2aor h LEU 164 CO 0.02 0.77 -0.00 0.40 -1.08 0.00 0.00 178.44 178.54 2aor h ILE 165 N 1.14 1.27 0.00 1.22 2.04 -1.12 0.57 117.51 122.64 2aor h ILE 165 Ca 0.30 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 2aor h ILE 165 Cb -0.05 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2aor h ILE 165 CO -0.06 0.22 -0.29 0.58 0.00 0.00 0.00 178.15 178.60 2aor h VAL 166 N -0.36 1.00 -0.42 1.67 2.07 -0.67 -2.86 116.25 116.68 2aor h VAL 166 Ca -0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2aor h VAL 166 Cb 0.36 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2aor h VAL 166 CO 0.00 0.28 0.00 0.18 0.02 0.00 0.00 177.57 178.05 2aor n LEU 167 N -3.90 2.37 -2.70 2.57 4.77 -0.71 -4.92 117.00 114.48 2aor n LEU 167 Ca -0.02 -1.18 -0.17 0.00 -0.03 0.00 0.00 56.01 54.61 2aor n LEU 167 Cb 0.37 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2aor n LEU 167 CO 0.36 0.56 0.17 0.61 -1.33 0.00 0.00 177.39 177.76 2aor n GLY 168 N 1.13 -0.11 1.60 -0.72 0.00 -1.08 -4.91 105.19 101.10 2aor n GLY 168 Ca 0.14 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 2aor n GLY 168 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aor n LYS 169 N -3.67 2.54 0.06 1.61 5.02 0.19 -3.79 118.16 120.12 2aor n LYS 169 Ca -0.01 -3.54 0.17 0.00 -2.02 0.00 0.00 58.31 52.91 2aor n LYS 169 Cb 0.55 -2.03 0.68 0.00 -0.02 0.00 0.00 35.03 34.20 2aor n LYS 169 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2aor h LEU 170 N 1.54 0.00 -1.57 -0.35 3.38 -1.83 -0.77 115.31 115.72 2aor h LEU 170 Ca 0.32 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2aor h LEU 170 Cb 1.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2aor h LEU 170 CO 0.68 0.00 0.29 0.44 0.09 0.00 0.00 178.44 179.94 2aor h ASP 171 N 0.00 0.50 1.62 -0.43 3.32 -1.94 -2.35 116.42 117.14 2aor h ASP 171 Ca 0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2aor h ASP 171 Cb 0.77 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2aor h ASP 171 CO -0.00 0.36 0.00 1.56 -1.72 0.00 0.00 179.24 179.44 2aor h GLN 172 N 0.59 0.00 -6.49 3.56 4.20 -1.53 -3.46 115.11 111.98 2aor h GLN 172 Ca 0.16 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.34 2aor h GLN 172 Cb -0.05 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.74 2aor h GLN 172 CO -0.04 0.00 0.76 0.42 -0.67 0.00 0.00 178.83 179.31 2aor s ILE 173 N -3.35 3.43 0.17 2.54 1.01 -0.89 -5.03 121.20 119.08 2aor s ILE 173 Ca 0.05 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2aor s ILE 173 Cb 0.07 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2aor s ILE 173 CO 0.62 0.05 0.04 0.28 0.00 0.00 0.00 174.94 175.93 2aor s THR 174 N 1.55 0.39 -1.14 2.92 -1.32 -1.26 -5.03 115.64 111.75 2aor s THR 174 Ca 0.65 -1.96 0.15 0.00 -1.21 0.00 0.00 61.69 59.32 2aor s THR 174 Cb -0.35 -2.18 0.17 0.00 -1.51 0.00 0.00 72.50 68.63 2aor s THR 174 CO 0.29 -0.38 1.47 0.00 -2.21 0.00 0.00 174.62 173.79 2aor n ALA 175 N -0.21 1.74 1.02 11.08 0.00 -1.24 -2.85 120.51 130.05 2aor n ALA 175 Ca -0.05 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.46 2aor n ALA 175 Cb 0.64 -1.25 0.60 0.00 0.00 0.00 0.00 19.45 19.45 2aor n ALA 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2aor n ARG 176 N -1.43 0.10 -3.12 0.00 1.74 -1.26 -4.67 116.66 108.03 2aor n ARG 176 Ca 0.05 0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.78 2aor n ARG 176 Cb 0.16 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 2aor n ARG 176 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2aor s ILE 177 N -2.89 4.54 0.00 0.55 1.01 -1.13 -4.93 121.20 118.36 2aor s ILE 177 Ca 0.16 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2aor s ILE 177 Cb 0.18 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2aor s ILE 177 CO 0.47 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.56 2aor n GLY 178 N 1.66 2.63 0.10 6.18 0.00 -1.26 -4.40 105.19 110.10 2aor n GLY 178 Ca -0.08 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 2aor n GLY 178 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2aor h GLU 179 N 0.00 0.18 0.00 1.61 9.09 -1.91 -3.42 114.58 120.12 2aor h GLU 179 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 59.36 59.11 2aor h GLU 179 Cb 0.00 0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 2aor h GLU 179 CO 0.00 1.14 -0.38 1.33 0.05 0.00 0.00 179.01 181.15 2aor n VAL 180 N -4.24 0.00 -4.33 -1.06 0.24 -1.26 -4.97 118.33 102.70 2aor n VAL 180 Ca -0.17 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.34 61.67 2aor n VAL 180 Cb 0.73 0.78 -0.14 0.00 -1.47 0.00 0.00 33.84 33.74 2aor n VAL 180 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2aor s MET 181 N -1.31 0.76 0.29 7.34 -2.45 -1.26 -0.72 119.30 121.94 2aor s MET 181 Ca 0.00 -0.47 0.03 0.00 -1.25 0.00 0.00 55.69 53.99 2aor s MET 181 Cb 0.00 -0.72 -0.04 0.00 1.25 0.00 0.00 34.83 35.32 2aor s MET 181 CO 0.00 0.19 0.15 1.14 1.05 0.00 0.00 175.02 177.55 2aor s GLN 182 N -0.58 1.53 -0.16 4.11 -2.07 0.23 -4.25 119.66 118.47 2aor s GLN 182 Ca 0.02 -1.86 -0.00 0.00 -1.82 0.00 0.00 55.36 51.69 2aor s GLN 182 Cb -0.05 -0.08 -0.01 0.00 -1.09 0.00 0.00 33.01 31.78 2aor s GLN 182 CO 0.00 -0.42 -0.13 -0.51 -1.32 0.00 0.00 175.29 172.91 2aor s LEU 183 N -3.34 2.59 0.32 2.60 1.43 -1.26 -0.72 118.68 120.30 2aor s LEU 183 Ca 0.36 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2aor s LEU 183 Cb 0.06 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2aor s LEU 183 CO 0.17 0.09 0.12 -0.13 0.23 0.00 0.00 176.35 176.83 2aor s ARG 184 N 0.78 1.62 0.77 1.70 0.52 -0.78 -3.73 118.95 119.84 2aor s ARG 184 Ca -0.05 -1.92 -0.12 0.00 -0.52 0.00 0.00 55.73 53.11 2aor s ARG 184 Cb -0.15 -0.35 0.06 0.00 0.52 0.00 0.00 34.95 35.03 2aor s ARG 184 CO 0.01 -0.38 1.12 -2.14 0.02 0.00 0.00 175.30 173.93 2aor s PRO 185 N -3.86 2.09 -0.33 3.54 0.02 -1.26 -0.22 135.00 134.98 2aor s PRO 185 Ca 0.34 1.38 0.03 0.00 0.02 0.00 0.00 61.00 62.77 2aor s PRO 185 Cb 0.06 -1.86 0.16 0.00 0.02 0.00 0.00 34.50 32.88 2aor s PRO 185 CO 0.16 -1.80 0.43 0.21 -0.33 0.00 0.00 177.00 175.67 2aor s LYS 186 N -4.54 0.53 0.00 5.54 2.47 -0.39 -4.46 119.74 118.89 2aor s LYS 186 Ca 0.65 -0.18 0.00 0.00 -1.56 0.00 0.00 55.97 54.88 2aor s LYS 186 Cb -0.21 -0.36 0.00 0.00 -1.46 0.00 0.00 37.83 35.81 2aor s LYS 186 CO 0.52 -1.10 0.00 0.41 0.16 0.00 0.00 175.35 175.34 2aor n GLY 187 N 4.94 -1.10 0.21 5.54 0.00 -1.26 -4.58 105.19 108.93 2aor n GLY 187 Ca 0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 2aor n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aor h ALA 188 N 0.00 0.57 -1.68 4.61 0.00 -1.99 -3.48 119.26 117.29 2aor h ALA 188 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2aor h ALA 188 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2aor h ALA 188 CO 0.00 0.18 0.08 0.27 0.00 0.00 0.00 179.25 179.77 2aor n ASN 189 N -4.61 -0.22 0.00 0.00 0.23 -1.26 -5.01 115.26 104.39 2aor n ASN 189 Ca 0.01 -1.11 0.09 0.00 -0.53 0.00 0.00 54.58 53.03 2aor n ASN 189 Cb 0.15 0.36 0.52 0.00 -2.08 0.00 0.00 39.78 38.73 2aor n ASN 189 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2aor n SER 190 N -0.65 0.00 -0.32 0.53 3.41 -1.26 -2.17 113.62 113.16 2aor n SER 190 Ca -0.00 -0.40 0.11 0.00 -0.26 0.00 0.00 58.87 58.32 2aor n SER 190 Cb 0.08 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2aor n SER 190 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2aor n ARG 191 N -1.08 0.80 -1.52 4.33 1.74 -1.26 -4.96 116.66 114.71 2aor n ARG 191 Ca 0.12 -0.64 -0.35 0.00 -0.77 0.00 0.00 57.85 56.20 2aor n ARG 191 Cb 0.09 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.13 2aor n ARG 191 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aor s ALA 192 N -2.65 2.18 0.02 7.54 0.00 -0.92 -5.03 121.76 122.91 2aor s ALA 192 Ca 0.16 1.04 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 2aor s ALA 192 Cb 0.18 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 2aor s ALA 192 CO 0.66 -1.83 0.15 0.14 0.00 0.00 0.00 175.76 174.87 2aor s VAL 193 N -1.72 0.10 0.19 0.00 -7.23 -1.26 -4.23 120.40 106.25 2aor s VAL 193 Ca 0.78 -0.86 -0.12 0.00 -1.81 0.00 0.00 61.98 59.97 2aor s VAL 193 Cb -0.33 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 35.91 2aor s VAL 193 CO 0.43 -0.47 0.39 0.28 -0.31 0.00 0.00 175.10 175.42 2aor s THR 194 N -2.06 0.04 0.27 5.32 -1.32 0.04 -4.83 115.64 113.10 2aor s THR 194 Ca -0.09 -1.21 -0.29 0.00 -1.21 0.00 0.00 61.69 58.88 2aor s THR 194 Cb -0.04 -1.83 -0.09 0.00 -1.51 0.00 0.00 72.50 69.03 2aor s THR 194 CO -0.02 -0.19 1.10 -0.54 -2.21 0.00 0.00 174.62 172.77 2aor s LYS 195 N -3.95 4.64 0.24 7.08 -0.14 -1.26 -0.86 119.74 125.48 2aor s LYS 195 Ca 0.16 1.80 0.02 0.00 -1.36 0.00 0.00 55.97 56.59 2aor s LYS 195 Cb 0.01 -3.20 -0.01 0.00 -1.68 0.00 0.00 37.83 32.96 2aor s LYS 195 CO 0.01 0.20 0.26 0.41 -0.76 0.00 0.00 175.35 175.47 2aor n GLY 196 N 1.28 2.86 3.43 -3.33 0.00 0.22 -4.33 105.19 105.32 2aor n GLY 196 Ca -0.01 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 2aor n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aor s ILE 197 N -2.82 3.77 0.75 -0.61 1.01 -1.25 -0.37 121.20 121.68 2aor s ILE 197 Ca 0.24 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2aor s ILE 197 Cb 0.00 -2.68 0.16 0.00 0.01 0.00 0.00 42.46 39.95 2aor s ILE 197 CO 0.17 0.45 1.03 0.61 0.00 0.00 0.00 174.94 177.20 2aor n GLY 198 N 4.08 -0.56 0.36 6.18 0.00 0.25 -4.29 105.19 111.21 2aor n GLY 198 Ca -0.17 -1.84 0.18 0.00 0.00 0.00 0.00 46.02 44.19 2aor n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aor h LYS 199 N 0.00 0.00 -0.67 1.61 1.57 -1.86 -0.60 116.57 116.62 2aor h LYS 199 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2aor h LYS 199 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2aor h LYS 199 CO 0.28 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.25 2aor n ASN 200 N -4.17 4.38 0.00 0.86 3.02 -1.26 -4.91 115.26 113.19 2aor n ASN 200 Ca 0.06 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 2aor n ASN 200 Cb 0.50 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2aor n ASN 200 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aor n GLY 201 N 1.31 0.63 3.90 7.41 0.00 -0.23 -5.03 105.19 113.18 2aor n GLY 201 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 2aor n GLY 201 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aor s GLU 202 N -0.11 3.66 0.04 1.61 1.03 -1.26 -4.73 118.70 118.94 2aor s GLU 202 Ca 0.00 0.09 -0.30 0.00 0.03 0.00 0.00 54.97 54.79 2aor s GLU 202 Cb 0.00 -2.60 -0.05 0.00 -0.80 0.00 0.00 34.13 30.67 2aor s GLU 202 CO 0.00 0.17 1.21 0.42 -1.33 0.00 0.00 175.26 175.74 2aor s ILE 203 N -2.13 4.04 0.34 1.83 1.01 -1.26 0.85 121.20 125.88 2aor s ILE 203 Ca 0.45 1.45 0.03 0.00 0.00 0.00 0.00 60.65 62.58 2aor s ILE 203 Cb -0.11 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2aor s ILE 203 CO 0.30 0.09 0.09 0.27 0.00 0.00 0.00 174.94 175.69 2aor s ILE 204 N 1.29 0.85 -0.13 2.92 -4.36 0.50 -4.85 121.20 117.42 2aor s ILE 204 Ca 0.59 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.84 2aor s ILE 204 Cb -0.29 -2.60 -0.05 0.00 1.25 0.00 0.00 42.46 40.77 2aor s ILE 204 CO 0.28 0.00 0.32 -1.81 0.24 0.00 0.00 174.94 173.97 2aor s ASP 205 N -3.50 6.52 0.14 4.36 -0.00 -1.26 -0.61 116.67 122.31 2aor s ASP 205 Ca 0.32 0.61 -0.15 0.00 -0.00 0.00 0.00 52.55 53.33 2aor s ASP 205 Cb 0.06 -2.20 0.03 0.00 -0.00 0.00 0.00 42.92 40.81 2aor s ASP 205 CO 0.15 0.14 0.39 0.28 -0.00 0.00 0.00 175.17 176.14 2aor s THR 206 N 0.14 0.07 0.15 -1.27 -1.32 -0.04 -4.89 115.64 108.48 2aor s THR 206 Ca 0.19 -0.75 -0.31 0.00 -1.21 0.00 0.00 61.69 59.61 2aor s THR 206 Cb -0.14 -1.32 -0.11 0.00 -1.51 0.00 0.00 72.50 69.42 2aor s THR 206 CO 0.06 -0.31 1.78 -0.22 -2.21 0.00 0.00 174.62 173.72 2aor s LEU 207 N -2.84 4.39 0.18 9.08 2.96 -1.26 -0.78 118.68 130.41 2aor s LEU 207 Ca 0.06 2.78 -0.31 0.00 -0.22 0.00 0.00 54.13 56.44 2aor s LEU 207 Cb 0.02 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 2aor s LEU 207 CO -0.09 -0.98 1.49 -2.84 -1.32 0.00 0.00 176.35 172.61 2aor s PRO 208 N 2.12 4.25 0.22 0.98 0.02 -1.26 -4.85 135.00 136.48 2aor s PRO 208 Ca 0.78 2.29 0.09 0.00 0.02 0.00 0.00 61.00 64.17 2aor s PRO 208 Cb -0.47 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.85 2aor s PRO 208 CO 0.34 -0.51 -0.02 -0.51 -0.33 0.00 0.00 177.00 175.98 2aor s LEU 209 N 0.62 3.19 0.07 -5.54 1.43 -1.26 -1.26 118.68 115.93 2aor s LEU 209 Ca 0.65 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2aor s LEU 209 Cb -0.42 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2aor s LEU 209 CO 0.35 0.05 -0.09 -0.83 0.23 0.00 0.00 176.35 176.06 2aor s GLY 210 N -3.27 0.68 -0.11 -3.19 0.00 0.69 -1.86 107.32 100.26 2aor s GLY 210 Ca 0.29 -0.97 -0.24 0.00 0.00 0.00 0.00 44.72 43.80 2aor s GLY 210 CO 0.19 -1.03 0.74 -1.36 0.00 0.00 0.00 173.10 171.63 2aor s PHE 211 N -1.84 3.50 0.01 1.90 0.08 0.50 -1.86 117.98 120.27 2aor s PHE 211 Ca -0.03 1.22 0.06 0.00 0.12 0.00 0.00 56.93 58.30 2aor s PHE 211 Cb -0.07 -2.88 -0.02 0.00 -0.57 0.00 0.00 43.02 39.49 2aor s PHE 211 CO 0.00 -0.05 -0.18 0.71 -0.10 0.00 0.00 175.22 175.60 2aor s TYR 212 N 1.38 1.57 -0.03 0.36 1.51 0.11 -0.20 117.35 122.04 2aor s TYR 212 Ca 0.37 -0.32 -0.23 0.00 -1.01 0.00 0.00 57.07 55.87 2aor s TYR 212 Cb -0.17 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 2aor s TYR 212 CO 0.16 0.02 0.69 -0.51 -1.11 0.00 0.00 175.55 174.79 2aor s LEU 213 N -0.73 4.36 0.71 -1.29 1.43 -0.07 -0.60 118.68 122.49 2aor s LEU 213 Ca 0.06 1.23 -0.14 0.00 -1.03 0.00 0.00 54.13 54.26 2aor s LEU 213 Cb -0.07 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.09 2aor s LEU 213 CO 0.00 -0.05 1.13 -0.13 0.23 0.00 0.00 176.35 177.53 2aor s ARG 214 N 0.44 2.49 0.58 1.70 0.52 0.10 -2.04 118.95 122.74 2aor s ARG 214 Ca 0.36 1.43 0.32 0.00 -0.52 0.00 0.00 55.73 57.32 2aor s ARG 214 Cb -0.18 -1.91 1.81 0.00 0.52 0.00 0.00 34.95 35.19 2aor s ARG 214 CO 0.19 -1.50 2.21 0.87 0.02 0.00 0.00 175.30 177.09 2aor h LYS 215 N -0.34 0.00 -0.23 3.54 1.57 -1.89 -2.19 116.57 117.03 2aor h LYS 215 Ca -0.46 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 2aor h LYS 215 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2aor h LYS 215 CO 0.52 0.04 -0.53 0.93 -0.57 0.00 0.00 179.45 179.83 2aor h GLU 216 N 0.00 0.68 -0.21 3.15 3.07 -1.93 -1.84 114.58 117.51 2aor h GLU 216 Ca -0.00 -0.42 -0.05 0.00 -0.50 0.00 0.00 59.36 58.38 2aor h GLU 216 Cb 0.12 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2aor h GLU 216 CO 0.00 1.04 -0.07 0.35 -1.40 0.00 0.00 179.01 178.94 2aor h PHE 217 N 0.53 0.48 0.00 4.33 3.57 -1.68 -1.42 116.94 122.76 2aor h PHE 217 Ca 0.01 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.30 2aor h PHE 217 Cb 1.10 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2aor h PHE 217 CO 0.05 0.69 -0.49 1.79 -2.23 0.00 0.00 178.31 178.12 2aor h THR 218 N 0.15 1.22 -0.44 4.41 1.35 -1.56 -2.59 112.91 115.45 2aor h THR 218 Ca 0.05 -1.76 -0.09 0.00 -0.55 0.00 0.00 66.41 64.07 2aor h THR 218 Cb 0.54 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 2aor h THR 218 CO 0.03 0.48 -0.08 0.00 -0.25 0.00 0.00 175.52 175.70 2aor h ALA 219 N 1.51 1.03 -0.62 6.62 0.00 -1.21 -1.70 119.26 124.88 2aor h ALA 219 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2aor h ALA 219 Cb 0.94 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2aor h ALA 219 CO 0.06 0.59 0.35 0.37 0.00 0.00 0.00 179.25 180.63 2aor h GLN 220 N 0.71 0.86 -0.65 0.00 4.15 -0.89 0.21 115.11 119.51 2aor h GLN 220 Ca 0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2aor h GLN 220 Cb 0.55 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 2aor h GLN 220 CO 0.03 0.64 0.38 0.82 -1.93 0.00 0.00 178.83 178.77 2aor h ILE 221 N 0.85 1.19 -0.27 2.39 2.04 -1.12 0.20 117.51 122.79 2aor h ILE 221 Ca 0.22 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 2aor h ILE 221 Cb 0.02 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2aor h ILE 221 CO -0.04 0.21 -0.04 -0.07 0.00 0.00 0.00 178.15 178.21 2aor h LEU 222 N 0.88 0.51 -0.53 1.44 3.38 -0.81 -1.37 115.31 118.80 2aor h LEU 222 Ca 0.23 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2aor h LEU 222 Cb 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2aor h LEU 222 CO -0.04 0.74 0.30 -1.13 0.09 0.00 0.00 178.44 178.39 2aor h ASN 223 N 0.28 0.66 0.35 -0.43 -1.24 -0.31 -1.72 115.58 113.17 2aor h ASN 223 Ca 0.07 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.94 2aor h ASN 223 Cb 0.50 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 2aor h ASN 223 CO 0.02 0.56 -0.26 0.00 -1.29 0.00 0.00 177.43 176.46 2aor h ALA 224 N 1.13 1.43 -0.41 1.57 0.00 -0.53 -1.64 119.26 120.82 2aor h ALA 224 Ca 0.19 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2aor h ALA 224 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2aor h ALA 224 CO -0.03 0.33 -0.24 0.35 0.00 0.00 0.00 179.25 179.66 2aor h PHE 225 N 0.00 1.02 -0.24 0.00 3.57 -0.50 1.05 116.94 121.83 2aor h PHE 225 Ca -0.00 -0.26 -0.16 0.00 3.53 0.00 0.00 57.97 61.07 2aor h PHE 225 Cb 0.51 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2aor h PHE 225 CO 0.00 1.05 -0.48 -0.07 -2.23 0.00 0.00 178.31 176.58 2aor h LEU 226 N 0.69 0.84 -1.71 0.59 3.38 -0.90 -3.19 115.31 115.01 2aor h LEU 226 Ca 0.09 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 2aor h LEU 226 Cb 0.81 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2aor h LEU 226 CO 0.07 1.23 -0.13 -0.33 0.09 0.00 0.00 178.44 179.37 2aor h GLU 227 N 0.49 0.02 0.00 1.13 4.39 -1.34 -3.46 114.58 115.81 2aor h GLU 227 Ca 0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2aor h GLU 227 Cb 1.09 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2aor h GLU 227 CO 0.11 0.15 0.00 0.25 -1.16 0.00 0.00 179.01 178.36 2aor n THR 228 N -4.37 0.00 -0.92 1.13 -2.24 -1.10 -5.11 114.28 101.67 2aor n THR 228 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2aor n THR 228 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2aor n THR 228 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79