#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yia n ARG 22 N 0.00 0.00 -2.53 0.00 1.74 -1.26 -4.71 116.66 109.90 1yia n ARG 22 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1yia n ARG 22 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 1yia n ARG 22 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1yia s PRO 23 N 0.00 4.00 -0.17 5.56 0.04 -1.26 -4.72 135.00 138.44 1yia s PRO 23 Ca 0.00 1.47 -0.21 0.00 0.04 0.00 0.00 61.00 62.29 1yia s PRO 23 Cb 0.00 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1yia s PRO 23 CO 0.00 -0.28 0.65 0.50 0.04 0.00 0.00 177.00 177.91 1yia s ARG 24 N -2.80 4.26 -0.11 4.56 6.06 -1.26 -2.16 118.95 127.50 1yia s ARG 24 Ca 0.62 0.68 -0.02 0.00 -2.50 0.00 0.00 55.73 54.51 1yia s ARG 24 Cb -0.20 -3.55 -0.03 0.00 0.06 0.00 0.00 34.95 31.23 1yia s ARG 24 CO 0.25 -0.18 -0.05 0.08 -2.50 0.00 0.00 175.30 172.89 1yia s VAL 25 N 1.71 3.78 -0.07 7.11 1.01 -0.40 -0.85 120.40 132.68 1yia s VAL 25 Ca 0.30 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1yia s VAL 25 Cb -0.16 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1yia s VAL 25 CO 0.11 0.54 -0.17 -0.22 0.00 0.00 0.00 175.10 175.37 1yia s LEU 26 N -0.18 2.53 0.30 3.92 2.96 -0.95 -0.90 118.68 126.35 1yia s LEU 26 Ca 0.03 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1yia s LEU 26 Cb -0.13 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1yia s LEU 26 CO 0.03 0.27 0.42 0.42 -1.32 0.00 0.00 176.35 176.16 1yia s THR 27 N -0.26 0.00 0.00 3.68 -4.23 -0.31 -4.19 115.64 110.34 1yia s THR 27 Ca 0.01 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1yia s THR 27 Cb -0.13 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1yia s THR 27 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1yia n GLY 28 N -0.48 -0.35 3.20 3.99 0.00 -1.26 -0.30 105.19 109.98 1yia n GLY 28 Ca 0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1yia n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yia s ASP 29 N 0.00 -0.40 -0.12 1.61 1.01 -0.76 -4.91 116.67 113.10 1yia s ASP 29 Ca 0.00 0.73 -0.29 0.00 0.71 0.00 0.00 52.55 53.69 1yia s ASP 29 Cb 0.00 0.64 -0.01 0.00 1.01 0.00 0.00 42.92 44.56 1yia s ASP 29 CO 0.00 -0.16 1.10 0.00 0.21 0.00 0.00 175.17 176.32 1yia s ARG 30 N 1.02 4.35 -0.72 8.23 1.70 -1.26 -2.37 118.95 129.89 1yia s ARG 30 Ca -0.07 1.51 -0.26 0.00 -0.47 0.00 0.00 55.73 56.44 1yia s ARG 30 Cb -0.07 -3.59 -0.06 0.00 -0.57 0.00 0.00 34.95 30.65 1yia s ARG 30 CO -0.08 -0.47 2.10 -2.14 -1.08 0.00 0.00 175.30 173.63 1yia s PRO 31 N 2.49 2.30 0.00 3.89 0.02 -1.26 -4.67 135.00 137.77 1yia s PRO 31 Ca 0.51 0.44 0.00 0.00 0.02 0.00 0.00 61.00 61.96 1yia s PRO 31 Cb -0.20 -4.72 0.00 0.00 0.02 0.00 0.00 34.50 29.60 1yia s PRO 31 CO 0.16 -3.39 0.00 2.41 -0.33 0.00 0.00 177.00 175.86 1yia n THR 32 N 7.88 0.00 -3.79 0.99 -1.04 -1.26 -4.39 114.28 112.66 1yia n THR 32 Ca 0.35 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1yia n THR 32 Cb 0.49 0.82 0.01 0.00 -1.82 0.00 0.00 70.33 69.83 1yia n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yia n GLY 33 N 0.75 0.69 3.81 3.41 0.00 -1.26 -4.90 105.19 107.68 1yia n GLY 33 Ca 0.00 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1yia n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yia s ALA 34 N -1.46 3.09 0.62 4.61 0.00 -1.26 -4.66 121.76 122.70 1yia s ALA 34 Ca 0.12 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 1yia s ALA 34 Cb -0.01 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1yia s ALA 34 CO 0.01 0.12 1.08 -0.51 0.00 0.00 0.00 175.76 176.46 1yia s LEU 35 N -2.82 3.46 0.00 0.00 1.02 -1.26 -4.97 118.68 114.12 1yia s LEU 35 Ca 0.58 1.89 0.05 0.00 0.02 0.00 0.00 54.13 56.67 1yia s LEU 35 Cb -0.13 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.53 1yia s LEU 35 CO 0.17 -1.33 0.17 0.00 0.02 0.00 0.00 176.35 175.37 1yia n HIS 36 N -2.15 -0.16 0.05 0.29 1.44 -1.26 -2.39 115.22 111.03 1yia n HIS 36 Ca 0.09 -2.36 0.22 0.00 -2.01 0.00 0.00 57.72 53.66 1yia n HIS 36 Cb 0.52 0.09 0.71 0.00 0.12 0.00 0.00 29.99 31.43 1yia n HIS 36 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1yia h LEU 37 N 0.00 0.00 -0.47 2.39 5.85 -1.61 -0.33 115.31 121.14 1yia h LEU 37 Ca -0.25 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.29 1yia h LEU 37 Cb 1.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1yia h LEU 37 CO 0.39 0.00 -0.67 1.23 -0.34 0.00 0.00 178.44 179.05 1yia h GLY 38 N 0.00 0.44 1.58 3.75 0.00 -1.90 -2.15 103.07 104.80 1yia h GLY 38 Ca 0.24 -0.59 -0.21 0.00 0.00 0.00 0.00 47.33 46.77 1yia h GLY 38 CO -0.00 0.53 -0.85 0.45 0.00 0.00 0.00 176.54 176.66 1yia h HIS 39 N 0.29 0.55 0.54 5.60 3.86 -1.47 0.83 115.15 125.34 1yia h HIS 39 Ca -0.02 -0.28 -0.03 0.00 -1.16 0.00 0.00 60.37 58.89 1yia h HIS 39 Cb 1.23 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 29.63 1yia h HIS 39 CO 0.04 1.08 -0.26 1.25 0.86 0.00 0.00 177.93 180.90 1yia h LEU 40 N 0.24 -0.61 -0.40 2.43 5.85 -1.33 0.60 115.31 122.08 1yia h LEU 40 Ca -0.06 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1yia h LEU 40 Cb 1.47 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1yia h LEU 40 CO 0.15 -0.42 -0.08 0.00 -0.34 0.00 0.00 178.44 177.75 1yia h ALA 41 N -0.29 0.55 -0.25 1.25 0.00 -1.45 -2.20 119.26 116.88 1yia h ALA 41 Ca -0.07 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1yia h ALA 41 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1yia h ALA 41 CO 0.12 0.41 -0.30 0.78 0.00 0.00 0.00 179.25 180.25 1yia h GLY 42 N 0.58 0.55 0.00 0.00 0.00 -0.69 -3.44 103.07 100.06 1yia h GLY 42 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1yia h GLY 42 CO 0.04 0.44 0.00 -1.14 0.00 0.00 0.00 176.54 175.87 1yia n SER 43 N -4.09 0.00 0.20 0.19 3.41 0.18 -4.79 113.62 108.73 1yia n SER 43 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.43 1yia n SER 43 Cb 0.44 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 1yia n SER 43 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1yia h LEU 44 N 0.00 -1.43 -0.80 1.04 3.38 -0.62 -1.18 115.31 115.70 1yia h LEU 44 Ca 0.00 0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.26 1yia h LEU 44 Cb 0.00 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1yia h LEU 44 CO 0.00 -0.60 0.35 1.56 0.09 0.00 0.00 178.44 179.84 1yia h GLN 45 N -0.86 0.48 -0.19 1.13 4.20 -1.65 0.56 115.11 118.77 1yia h GLN 45 Ca -0.03 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1yia h GLN 45 Cb 0.80 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1yia h GLN 45 CO -0.17 0.32 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.27 1yia h ASN 46 N 0.49 0.28 0.90 1.46 -0.73 -1.71 -2.13 115.58 114.13 1yia h ASN 46 Ca 0.45 -0.05 -0.15 0.00 1.87 0.00 0.00 56.30 58.42 1yia h ASN 46 Cb 0.69 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.18 1yia h ASN 46 CO -0.41 0.38 -0.71 0.03 -0.37 0.00 0.00 177.43 176.36 1yia h ARG 47 N 0.29 0.00 0.00 6.67 3.08 0.13 -1.57 114.38 122.97 1yia h ARG 47 Ca 0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1yia h ARG 47 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1yia h ARG 47 CO 0.01 0.71 -0.42 0.28 -1.07 0.00 0.00 179.97 179.48 1yia h VAL 48 N 0.00 1.16 0.04 2.04 2.07 -0.32 -2.71 116.25 118.54 1yia h VAL 48 Ca -0.01 -1.51 -0.18 0.00 0.82 0.00 0.00 66.70 65.82 1yia h VAL 48 Cb 1.35 1.84 0.02 0.00 -1.52 0.00 0.00 31.29 32.98 1yia h VAL 48 CO 0.09 0.41 -0.75 0.03 0.02 0.00 0.00 177.57 177.38 1yia h ARG 49 N 0.00 0.43 -0.53 1.57 -0.00 -1.07 -3.33 114.38 111.46 1yia h ARG 49 Ca -0.00 -0.52 -0.01 0.00 -0.50 0.00 0.00 59.98 58.95 1yia h ARG 49 Cb 0.81 0.16 -0.03 0.00 0.00 0.00 0.00 29.97 30.92 1yia h ARG 49 CO 0.05 1.18 0.30 -0.07 0.00 0.00 0.00 179.97 181.43 1yia h LEU 50 N -0.08 0.63 -2.21 3.04 3.38 -1.14 -2.80 115.31 116.12 1yia h LEU 50 Ca -0.11 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1yia h LEU 50 Cb 1.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1yia h LEU 50 CO 0.15 0.50 0.26 0.06 0.09 0.00 0.00 178.44 179.49 1yia h GLN 51 N 0.72 0.00 0.00 1.13 3.07 -1.59 -1.20 115.11 117.25 1yia h GLN 51 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.93 1yia h GLN 51 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1yia h GLN 51 CO -0.03 0.00 -0.92 -0.25 0.09 0.00 0.00 178.83 177.72 1yia n ASP 52 N -3.46 0.68 -0.21 0.06 10.43 -1.06 -4.31 116.55 118.69 1yia n ASP 52 Ca 0.01 0.06 0.06 0.00 2.57 0.00 0.00 54.79 57.49 1yia n ASP 52 Cb 0.36 0.53 0.08 0.00 1.84 0.00 0.00 41.12 43.93 1yia n ASP 52 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1yia n GLU 53 N -2.21 0.90 -3.73 -1.24 0.28 -0.66 -4.38 120.64 109.60 1yia n GLU 53 Ca 0.02 -1.94 -0.02 0.00 -0.16 0.00 0.00 57.16 55.06 1yia n GLU 53 Cb 0.47 -1.11 -0.01 0.00 1.43 0.00 0.00 31.44 32.22 1yia n GLU 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yia s ALA 54 N -1.74 -1.82 -0.41 -1.84 0.00 -0.54 -4.23 121.76 111.18 1yia s ALA 54 Ca 0.19 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 1yia s ALA 54 Cb 0.16 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.87 1yia s ALA 54 CO 0.02 -1.05 0.45 -2.00 0.00 0.00 0.00 175.76 173.18 1yia s GLU 55 N -2.97 3.16 -0.14 0.00 2.12 -0.92 -4.03 118.70 115.92 1yia s GLU 55 Ca 0.13 -0.68 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 1yia s GLU 55 Cb 0.00 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 1yia s GLU 55 CO 0.01 -0.83 0.21 -1.17 -0.54 0.00 0.00 175.26 172.94 1yia s LEU 56 N 2.19 4.30 -0.11 2.70 1.98 -1.26 -1.28 118.68 127.20 1yia s LEU 56 Ca 0.13 0.46 0.03 0.00 -2.89 0.00 0.00 54.13 51.86 1yia s LEU 56 Cb -0.17 -2.22 0.00 0.00 0.66 0.00 0.00 46.19 44.46 1yia s LEU 56 CO 0.14 0.24 -0.23 -0.36 -1.89 0.00 0.00 176.35 174.25 1yia s PHE 57 N -0.15 2.51 -0.13 5.38 2.99 -0.08 -1.09 117.98 127.41 1yia s PHE 57 Ca 0.14 -1.09 0.03 0.00 0.00 0.00 0.00 56.93 56.01 1yia s PHE 57 Cb -0.12 -1.69 0.01 0.00 0.00 0.00 0.00 43.02 41.21 1yia s PHE 57 CO 0.03 -0.46 -0.22 0.14 -0.00 0.00 0.00 175.22 174.71 1yia s VAL 58 N 0.50 2.14 -0.25 -0.44 -7.23 -0.28 -1.16 120.40 113.68 1yia s VAL 58 Ca -0.15 -0.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.96 1yia s VAL 58 Cb -0.17 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1yia s VAL 58 CO 0.06 0.55 0.14 -0.22 -0.31 0.00 0.00 175.10 175.32 1yia s LEU 59 N 0.68 3.86 -0.87 1.32 2.96 0.59 -0.43 118.68 126.79 1yia s LEU 59 Ca -0.10 -0.03 -0.19 0.00 -0.22 0.00 0.00 54.13 53.59 1yia s LEU 59 Cb -0.16 -2.05 0.12 0.00 0.50 0.00 0.00 46.19 44.60 1yia s LEU 59 CO 0.01 -0.00 1.07 -0.76 -1.32 0.00 0.00 176.35 175.35 1yia s LEU 60 N 1.46 5.01 -1.03 -0.68 1.43 0.15 -1.83 118.68 123.18 1yia s LEU 60 Ca 0.07 -1.86 -0.20 0.00 -1.03 0.00 0.00 54.13 51.10 1yia s LEU 60 Cb -0.15 -2.39 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 1yia s LEU 60 CO 0.07 -1.11 1.99 0.00 0.23 0.00 0.00 176.35 177.52 1yia n ALA 61 N 6.66 3.71 0.23 4.21 0.00 -1.00 -2.06 120.51 132.27 1yia n ALA 61 Ca 0.18 -3.46 0.12 0.00 0.00 0.00 0.00 53.44 50.27 1yia n ALA 61 Cb 0.48 -3.59 0.47 0.00 0.00 0.00 0.00 19.45 16.81 1yia n ALA 61 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1yia h ASP 62 N 7.61 0.00 -0.11 0.00 2.03 -1.92 -0.47 116.42 123.57 1yia h ASP 62 Ca 0.44 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.65 1yia h ASP 62 Cb 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1yia h ASP 62 CO 1.82 0.17 -0.26 0.58 -1.03 0.00 0.00 179.24 180.51 1yia h VAL 63 N 0.00 1.39 -0.35 4.15 2.07 -1.91 -2.62 116.25 118.98 1yia h VAL 63 Ca -0.00 -1.57 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 1yia h VAL 63 Cb 0.74 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1yia h VAL 63 CO 0.02 0.46 -0.19 -0.61 0.02 0.00 0.00 177.57 177.27 1yia h GLN 64 N -0.06 0.65 -0.05 1.57 4.15 -1.91 -1.36 115.11 118.09 1yia h GLN 64 Ca -0.00 -0.23 0.01 0.00 0.77 0.00 0.00 58.65 59.20 1yia h GLN 64 Cb 0.87 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.51 1yia h GLN 64 CO 0.06 0.80 0.10 0.00 -1.93 0.00 0.00 178.83 177.86 1yia h ALA 65 N 1.22 1.37 0.00 3.38 0.00 -0.96 -0.49 119.26 123.77 1yia h ALA 65 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yia h ALA 65 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1yia h ALA 65 CO 0.05 -0.13 -0.19 1.28 0.00 0.00 0.00 179.25 180.26 1yia n LEU 66 N -3.41 0.41 0.19 0.00 4.77 -0.51 -2.31 117.00 116.14 1yia n LEU 66 Ca -0.02 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.48 1yia n LEU 66 Cb 0.18 -0.36 0.65 0.00 -2.33 0.00 0.00 43.42 41.57 1yia n LEU 66 CO 0.23 -0.03 0.90 0.71 -1.33 0.00 0.00 177.39 177.86 1yia h THR 67 N 0.00 0.00 0.00 -5.08 1.35 -1.11 -1.77 112.91 106.31 1yia h THR 67 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1yia h THR 67 Cb 0.60 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1yia h THR 67 CO 0.00 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.37 1yia n ASP 68 N -2.43 0.00 -1.08 5.36 3.85 -1.25 -4.03 116.55 116.97 1yia n ASP 68 Ca -0.00 -0.06 0.05 0.00 -0.71 0.00 0.00 54.79 54.06 1yia n ASP 68 Cb 0.12 0.11 0.26 0.00 -1.35 0.00 0.00 41.12 40.26 1yia n ASP 68 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1yia n HIS 69 N -0.11 1.16 0.07 2.11 8.25 -0.98 -4.58 115.22 121.14 1yia n HIS 69 Ca 0.00 -1.04 0.02 0.00 -0.26 0.00 0.00 57.72 56.45 1yia n HIS 69 Cb 0.00 -0.39 0.12 0.00 1.12 0.00 0.00 29.99 30.84 1yia n HIS 69 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1yia n PHE 70 N -0.56 0.12 0.33 4.41 -1.74 -0.67 0.27 117.46 119.61 1yia n PHE 70 Ca 0.26 0.06 0.10 0.00 -0.56 0.00 0.00 57.45 57.31 1yia n PHE 70 Cb 0.98 -0.60 0.18 0.00 1.52 0.00 0.00 39.48 41.56 1yia n PHE 70 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1yia n ASP 71 N -1.62 3.19 -3.06 5.98 3.85 -1.26 -4.48 116.55 119.15 1yia n ASP 71 Ca 0.00 -1.93 -0.16 0.00 -0.71 0.00 0.00 54.79 52.00 1yia n ASP 71 Cb 0.02 -0.20 -0.01 0.00 -1.35 0.00 0.00 41.12 39.59 1yia n ASP 71 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1yia n ARG 72 N 1.28 1.01 0.21 0.11 1.74 0.14 -4.95 116.66 116.20 1yia n ARG 72 Ca 0.17 -3.22 0.15 0.00 -0.77 0.00 0.00 57.85 54.17 1yia n ARG 72 Cb 0.55 -1.55 0.73 0.00 -1.02 0.00 0.00 32.46 31.17 1yia n ARG 72 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1yia h PRO 73 N 2.98 0.00 0.14 5.56 0.13 -1.78 -2.12 132.00 136.91 1yia h PRO 73 Ca 0.04 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.88 1yia h PRO 73 Cb 1.02 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.18 1yia h PRO 73 CO 0.46 0.00 -1.22 0.93 -0.23 0.00 0.00 178.00 177.94 1yia h GLU 74 N 0.00 0.58 -0.20 0.86 4.39 -1.92 -2.69 114.58 115.60 1yia h GLU 74 Ca 0.00 -0.81 0.00 0.00 0.34 0.00 0.00 59.36 58.89 1yia h GLU 74 Cb 0.11 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1yia h GLU 74 CO 0.00 1.37 0.13 0.37 -1.16 0.00 0.00 179.01 179.72 1yia h GLN 75 N 0.19 0.26 -0.12 2.33 4.15 -1.78 -1.61 115.11 118.53 1yia h GLN 75 Ca -0.19 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 1yia h GLN 75 Cb 1.91 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.54 1yia h GLN 75 CO 0.23 0.19 0.06 0.28 -1.93 0.00 0.00 178.83 177.66 1yia h VAL 76 N 0.25 1.12 -0.44 2.39 2.07 -1.61 -2.71 116.25 117.32 1yia h VAL 76 Ca 0.07 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1yia h VAL 76 Cb -0.01 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1yia h VAL 76 CO -0.01 0.11 0.07 -0.09 0.02 0.00 0.00 177.57 177.67 1yia h ARG 77 N 0.06 0.19 -0.01 1.57 2.43 -1.33 -2.60 114.38 114.70 1yia h ARG 77 Ca 0.04 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1yia h ARG 77 Cb 0.13 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1yia h ARG 77 CO -0.00 0.13 -0.33 0.93 -1.51 0.00 0.00 179.97 179.18 1yia h GLU 78 N 0.20 0.02 -0.00 0.20 4.39 -1.27 -3.16 114.58 114.96 1yia h GLU 78 Ca 0.22 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1yia h GLU 78 Cb 0.29 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1yia h GLU 78 CO -0.30 0.35 -0.15 0.09 -1.16 0.00 0.00 179.01 177.84 1yia n ASN 79 N -4.14 0.35 -0.11 1.42 3.02 -0.99 -3.52 115.26 111.30 1yia n ASN 79 Ca -0.02 -0.26 -0.11 0.00 -0.03 0.00 0.00 54.58 54.16 1yia n ASN 79 Cb 0.38 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 1yia n ASN 79 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1yia h VAL 80 N 0.32 1.26 -0.04 2.41 3.04 -1.49 -0.53 116.25 121.22 1yia h VAL 80 Ca 0.00 -1.00 -0.17 0.00 -1.01 0.00 0.00 66.70 64.53 1yia h VAL 80 Cb 0.41 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1yia h VAL 80 CO 0.00 0.32 -0.70 -0.07 -1.01 0.00 0.00 177.57 176.11 1yia h LEU 81 N 0.36 0.27 -0.51 3.16 4.07 -1.76 -2.67 115.31 118.24 1yia h LEU 81 Ca 0.09 -0.18 -0.13 0.00 0.08 0.00 0.00 57.88 57.74 1yia h LEU 81 Cb 0.47 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1yia h LEU 81 CO 0.02 0.89 -0.20 0.00 -1.08 0.00 0.00 178.44 178.06 1yia h ALA 82 N 1.11 0.70 -0.19 1.53 0.00 -1.56 -0.90 119.26 119.95 1yia h ALA 82 Ca -0.02 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 1yia h ALA 82 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1yia h ALA 82 CO 0.11 0.68 -0.52 -0.39 0.00 0.00 0.00 179.25 179.12 1yia h VAL 83 N 0.87 1.32 -0.74 0.00 -1.51 -1.12 -1.32 116.25 113.75 1yia h VAL 83 Ca 0.11 -1.76 0.04 0.00 -1.23 0.00 0.00 66.70 63.86 1yia h VAL 83 Cb 0.78 1.74 -0.05 0.00 -2.13 0.00 0.00 31.29 31.63 1yia h VAL 83 CO 0.06 0.55 0.46 0.00 -1.23 0.00 0.00 177.57 177.41 1yia h ALA 84 N 1.01 0.98 -0.75 5.19 0.00 -1.15 0.58 119.26 125.12 1yia h ALA 84 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1yia h ALA 84 Cb 1.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1yia h ALA 84 CO 0.10 0.24 0.37 1.25 0.00 0.00 0.00 179.25 181.20 1yia h LEU 85 N 0.89 0.96 -0.59 0.00 7.12 -0.91 -2.00 115.31 120.78 1yia h LEU 85 Ca 0.30 -0.10 -0.08 0.00 0.13 0.00 0.00 57.88 58.14 1yia h LEU 85 Cb 0.05 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 39.91 1yia h LEU 85 CO -0.12 0.80 0.07 0.44 -0.13 0.00 0.00 178.44 179.50 1yia h ASP 86 N 1.06 0.96 -0.33 1.25 3.32 0.11 0.15 116.42 122.94 1yia h ASP 86 Ca 0.26 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.07 1yia h ASP 86 Cb 0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1yia h ASP 86 CO -0.03 0.99 0.14 1.88 -1.72 0.00 0.00 179.24 180.50 1yia h TYR 87 N 0.89 0.26 0.03 4.55 0.99 0.33 0.16 116.97 124.18 1yia h TYR 87 Ca 0.18 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.92 1yia h TYR 87 Cb 0.46 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.12 1yia h TYR 87 CO 0.03 0.13 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.24 1yia h LEU 88 N 0.30 -0.03 -1.29 3.88 3.38 -1.15 -1.62 115.31 118.77 1yia h LEU 88 Ca 0.14 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.12 1yia h LEU 88 Cb 0.09 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1yia h LEU 88 CO -0.12 0.10 0.56 0.00 0.09 0.00 0.00 178.44 179.06 1yia h ALA 89 N 0.80 1.78 -0.07 1.53 0.00 -0.37 0.12 119.26 123.05 1yia h ALA 89 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1yia h ALA 89 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yia h ALA 89 CO 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 179.25 179.02 1yia h ALA 90 N 1.59 1.48 0.00 0.00 0.00 -0.19 -3.39 119.26 118.74 1yia h ALA 90 Ca 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yia h ALA 90 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1yia h ALA 90 CO -0.18 0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1yia n GLY 91 N -0.73 1.01 3.70 0.00 0.00 0.40 -4.96 105.19 104.62 1yia n GLY 91 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1yia n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yia s LEU 92 N 0.00 4.35 -0.22 0.99 2.96 -0.67 -4.95 118.68 121.14 1yia s LEU 92 Ca 0.00 2.30 -0.23 0.00 -0.22 0.00 0.00 54.13 55.98 1yia s LEU 92 Cb 0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1yia s LEU 92 CO 0.00 -0.72 0.77 -0.62 -1.32 0.00 0.00 176.35 174.45 1yia s ASP 93 N 1.58 6.80 0.61 3.68 -1.08 -1.26 -4.48 116.67 122.52 1yia s ASP 93 Ca 0.66 0.99 0.32 0.00 -0.52 0.00 0.00 52.55 54.00 1yia s ASP 93 Cb -0.36 -2.41 1.81 0.00 -1.46 0.00 0.00 42.92 40.50 1yia s ASP 93 CO 0.29 -0.42 2.15 -0.65 0.52 0.00 0.00 175.17 177.05 1yia h PRO 94 N 7.59 0.00 -0.02 4.34 0.11 -1.93 0.68 132.00 142.78 1yia h PRO 94 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1yia h PRO 94 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1yia h PRO 94 CO 0.83 0.00 -0.17 1.04 -0.21 0.00 0.00 178.00 179.49 1yia n GLN 95 N -3.57 1.42 -0.03 1.05 1.13 -1.26 -4.26 117.38 111.86 1yia n GLN 95 Ca -0.00 -0.97 -0.05 0.00 -1.94 0.00 0.00 57.00 54.03 1yia n GLN 95 Cb 0.26 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 1yia n GLN 95 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1yia n LYS 96 N 0.06 0.14 -4.26 -1.09 4.01 0.12 -5.05 118.16 112.10 1yia n LYS 96 Ca 0.14 0.04 -0.35 0.00 -0.51 0.00 0.00 58.31 57.64 1yia n LYS 96 Cb 0.41 -0.95 -0.10 0.00 -0.51 0.00 0.00 35.03 33.88 1yia n LYS 96 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1yia s THR 97 N -2.12 4.44 -0.61 -0.18 -4.23 0.19 -4.34 115.64 108.79 1yia s THR 97 Ca -0.08 -0.18 -0.24 0.00 -1.18 0.00 0.00 61.69 60.00 1yia s THR 97 Cb 0.03 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 71.00 1yia s THR 97 CO 0.13 0.56 1.01 -0.89 -0.54 0.00 0.00 174.62 174.88 1yia s THR 98 N -0.40 4.26 -0.24 3.99 2.01 -0.25 -4.69 115.64 120.32 1yia s THR 98 Ca 0.08 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 1yia s THR 98 Cb -0.12 -4.64 -0.04 0.00 0.01 0.00 0.00 72.50 67.71 1yia s THR 98 CO 0.02 -1.33 0.38 0.00 -0.69 0.00 0.00 174.62 173.00 1yia s VAL 100 N 1.72 1.54 -0.33 0.00 -7.23 0.42 -2.09 120.40 114.44 1yia s VAL 100 Ca 0.17 -1.04 -0.17 0.00 -1.81 0.00 0.00 61.98 59.13 1yia s VAL 100 Cb -0.15 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 1yia s VAL 100 CO 0.09 0.26 0.48 -0.69 -0.31 0.00 0.00 175.10 174.93 1yia s VAL 101 N -0.68 5.06 0.25 1.32 1.01 -1.26 0.30 120.40 126.40 1yia s VAL 101 Ca 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 1yia s VAL 101 Cb -0.08 -3.91 0.23 0.00 0.00 0.00 0.00 36.38 32.62 1yia s VAL 101 CO 0.01 -0.14 1.76 -0.61 0.00 0.00 0.00 175.10 176.11 1yia h GLN 102 N 8.40 0.56 -0.84 2.72 4.15 -1.79 -1.14 115.11 127.18 1yia h GLN 102 Ca -0.28 -0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.24 1yia h GLN 102 Cb 1.13 -0.13 -0.09 0.00 0.21 0.00 0.00 27.48 28.60 1yia h GLN 102 CO 0.75 0.37 0.44 0.77 -1.93 0.00 0.00 178.83 179.22 1yia h SER 103 N 0.58 0.54 0.00 -0.69 0.02 -1.93 -2.40 113.55 109.67 1yia h SER 103 Ca 0.44 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1yia h SER 103 Cb 0.61 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1yia h SER 103 CO -0.36 0.24 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 1yia n ALA 104 N -2.42 2.37 -3.53 3.77 0.00 -0.43 -4.28 120.51 115.99 1yia n ALA 104 Ca 0.16 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 1yia n ALA 104 Cb 0.41 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.73 1yia n ALA 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yia s VAL 105 N -2.00 0.90 -0.39 0.00 0.11 -0.90 -4.91 120.40 113.20 1yia s VAL 105 Ca 0.01 -2.80 0.14 0.00 -2.93 0.00 0.00 61.98 56.41 1yia s VAL 105 Cb 0.01 -1.62 0.14 0.00 -1.53 0.00 0.00 36.38 33.38 1yia s VAL 105 CO 0.01 -1.12 1.41 -0.81 -3.33 0.00 0.00 175.10 171.26 1yia n PRO 106 N 2.95 0.09 -0.23 1.54 -0.04 -1.26 -2.02 135.00 136.03 1yia n PRO 106 Ca 0.23 0.58 0.02 0.00 -0.04 0.00 0.00 63.50 64.29 1yia n PRO 106 Cb 0.42 -1.85 0.26 0.00 -0.04 0.00 0.00 33.50 32.30 1yia n PRO 106 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1yia h GLU 107 N 0.00 0.95 -0.17 0.54 3.07 -1.94 -0.96 114.58 116.08 1yia h GLU 107 Ca 0.00 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1yia h GLU 107 Cb 0.09 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1yia h GLU 107 CO 0.00 0.63 0.01 -0.07 -1.40 0.00 0.00 179.01 178.18 1yia h LEU 108 N 0.98 -0.03 -0.28 1.33 3.38 -1.77 -0.31 115.31 118.61 1yia h LEU 108 Ca 0.31 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.36 1yia h LEU 108 Cb 0.03 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1yia h LEU 108 CO -0.09 0.01 0.01 0.00 0.09 0.00 0.00 178.44 178.45 1yia h ALA 109 N 1.13 0.25 -0.84 1.53 0.00 -1.51 0.42 119.26 120.23 1yia h ALA 109 Ca 0.08 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1yia h ALA 109 Cb 0.08 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1yia h ALA 109 CO -0.12 -0.41 0.55 1.49 0.00 0.00 0.00 179.25 180.76 1yia h GLU 110 N 0.09 0.68 0.03 0.00 4.81 -0.62 -1.21 114.58 118.35 1yia h GLU 110 Ca 0.13 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.08 1yia h GLU 110 Cb 0.17 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1yia h GLU 110 CO -0.22 0.45 -1.01 1.25 -0.73 0.00 0.00 179.01 178.76 1yia h LEU 111 N 0.70 0.54 -0.80 1.64 5.85 0.14 -3.21 115.31 120.18 1yia h LEU 111 Ca 0.40 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1yia h LEU 111 Cb 0.59 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1yia h LEU 111 CO -0.17 1.27 0.47 0.71 -0.34 0.00 0.00 178.44 180.38 1yia h THR 112 N 0.21 1.23 -0.09 1.05 1.35 0.66 0.13 112.91 117.45 1yia h THR 112 Ca -0.09 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 1yia h THR 112 Cb 1.66 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1yia h THR 112 CO 0.17 0.24 -0.01 1.62 -0.25 0.00 0.00 175.52 177.29 1yia h VAL 113 N 1.10 1.07 0.00 6.82 3.04 -1.44 0.11 116.25 126.95 1yia h VAL 113 Ca 0.28 -0.28 -0.18 0.00 -1.01 0.00 0.00 66.70 65.52 1yia h VAL 113 Cb -0.02 1.02 -0.03 0.00 -2.01 0.00 0.00 31.29 30.26 1yia h VAL 113 CO -0.05 0.09 -0.84 1.88 -1.01 0.00 0.00 177.57 177.64 1yia h TYR 114 N 0.12 0.00 0.00 3.17 0.99 -1.24 -3.06 116.97 116.95 1yia h TYR 114 Ca 0.03 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.64 1yia h TYR 114 Cb 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.83 1yia h TYR 114 CO 0.00 0.84 -0.56 0.74 -0.00 0.00 0.00 178.16 179.18 1yia h PHE 115 N 0.00 0.00 -0.19 4.88 -1.00 0.92 -3.15 116.94 118.41 1yia h PHE 115 Ca -0.01 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.83 1yia h PHE 115 Cb 1.53 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.08 1yia h PHE 115 CO 0.00 0.56 0.22 -0.07 -1.61 0.00 0.00 178.31 177.41 1yia h LEU 116 N 0.00 0.00 0.00 1.54 3.38 -0.77 0.71 115.31 120.17 1yia h LEU 116 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1yia h LEU 116 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1yia h LEU 116 CO 0.07 0.00 -0.08 0.59 0.09 0.00 0.00 178.44 179.11 1yia n ASN 117 N -3.74 0.81 -0.73 -0.43 5.03 -1.19 -3.35 115.26 111.66 1yia n ASN 117 Ca 0.02 0.51 0.12 0.00 0.87 0.00 0.00 54.58 56.11 1yia n ASN 117 Cb 0.34 -0.67 0.33 0.00 -1.02 0.00 0.00 39.78 38.76 1yia n ASN 117 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1yia n LEU 118 N -2.25 2.24 -4.01 3.41 4.77 0.24 -4.92 117.00 116.48 1yia n LEU 118 Ca 0.05 -0.84 -0.16 0.00 -0.03 0.00 0.00 56.01 55.04 1yia n LEU 118 Cb 0.43 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1yia n LEU 118 CO 0.31 0.42 -0.41 0.54 -1.33 0.00 0.00 177.39 176.92 1yia s VAL 119 N -1.86 0.53 0.19 4.08 0.11 -1.21 -4.91 120.40 117.31 1yia s VAL 119 Ca 0.34 -0.53 -0.09 0.00 -2.93 0.00 0.00 61.98 58.77 1yia s VAL 119 Cb 0.20 -0.50 -0.07 0.00 -1.53 0.00 0.00 36.38 34.49 1yia s VAL 119 CO 0.30 -0.02 0.49 0.28 -3.33 0.00 0.00 175.10 172.83 1yia s THR 120 N -0.53 5.00 0.28 5.04 -1.32 -1.26 -4.96 115.64 117.89 1yia s THR 120 Ca -0.01 0.40 -0.03 0.00 -1.21 0.00 0.00 61.69 60.83 1yia s THR 120 Cb -0.05 -3.63 0.26 0.00 -1.51 0.00 0.00 72.50 67.57 1yia s THR 120 CO 0.00 0.02 1.95 0.58 -2.21 0.00 0.00 174.62 174.97 1yia h VAL 121 N 2.18 1.22 0.15 5.08 2.07 -1.98 -1.20 116.25 123.77 1yia h VAL 121 Ca -0.47 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1yia h VAL 121 Cb 1.17 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1yia h VAL 121 CO 0.69 0.22 -0.28 -1.28 0.02 0.00 0.00 177.57 176.95 1yia h SER 122 N 1.20 -0.78 0.50 0.57 0.87 -1.99 -0.43 113.55 113.50 1yia h SER 122 Ca 0.33 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 1yia h SER 122 Cb -0.13 0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1yia h SER 122 CO -0.07 -0.37 -0.15 0.45 -0.53 0.00 0.00 176.83 176.15 1yia h HIS 123 N -0.51 0.00 0.00 2.24 -0.00 -1.84 -2.22 115.15 112.82 1yia h HIS 123 Ca 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.23 1yia h HIS 123 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.91 1yia h HIS 123 CO -0.24 0.15 -0.79 -0.07 -0.00 0.00 0.00 177.93 176.99 1yia h LEU 124 N 0.00 0.00 -0.44 2.43 3.38 -0.81 -3.17 115.31 116.70 1yia h LEU 124 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1yia h LEU 124 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1yia h LEU 124 CO 0.02 0.79 -0.43 -0.09 0.09 0.00 0.00 178.44 178.82 1yia h ARG 125 N 0.00 0.00 0.00 1.13 2.43 -0.47 -3.27 114.38 114.20 1yia h ARG 125 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1yia h ARG 125 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 1yia h ARG 125 CO 0.10 0.43 -0.06 1.04 -1.51 0.00 0.00 179.97 179.97 1yia n GLN 126 N -3.34 0.22 -1.57 0.20 6.02 -1.07 -4.79 117.38 113.06 1yia n GLN 126 Ca 0.01 0.17 -0.49 0.00 -0.01 0.00 0.00 57.00 56.68 1yia n GLN 126 Cb 0.63 -1.75 -0.05 0.00 1.02 0.00 0.00 30.24 30.08 1yia n GLN 126 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1yia n ASN 127 N -2.14 2.81 0.21 1.08 2.85 -1.24 -4.83 115.26 114.01 1yia n ASN 127 Ca 0.06 0.59 0.05 0.00 -0.11 0.00 0.00 54.58 55.17 1yia n ASN 127 Cb 0.42 -1.35 0.47 0.00 1.24 0.00 0.00 39.78 40.56 1yia n ASN 127 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1yia h PRO 128 N 11.62 0.00 0.08 1.20 0.13 -1.94 -1.56 132.00 141.53 1yia h PRO 128 Ca -0.38 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.49 1yia h PRO 128 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 1yia h PRO 128 CO 0.98 0.25 -1.06 0.00 -0.23 0.00 0.00 178.00 177.94 1yia h THR 129 N 0.00 1.33 -0.09 1.56 1.03 -1.88 -1.22 112.91 113.64 1yia h THR 129 Ca -0.00 -2.37 -0.15 0.00 -0.01 0.00 0.00 66.41 63.88 1yia h THR 129 Cb 0.46 2.68 -0.01 0.00 -1.07 0.00 0.00 68.15 70.21 1yia h THR 129 CO 0.03 0.71 -0.61 -0.37 -0.01 0.00 0.00 175.52 175.28 1yia h VAL 130 N 0.17 1.37 -0.82 0.00 -1.51 -1.93 -1.78 116.25 111.76 1yia h VAL 130 Ca -0.16 -1.97 -0.02 0.00 -1.23 0.00 0.00 66.70 63.33 1yia h VAL 130 Cb 1.76 1.97 -0.04 0.00 -2.13 0.00 0.00 31.29 32.85 1yia h VAL 130 CO 0.21 0.59 0.43 0.50 -1.23 0.00 0.00 177.57 178.06 1yia h LYS 131 N 0.23 1.15 -0.29 5.19 3.64 -1.27 -0.05 116.57 125.17 1yia h LYS 131 Ca -0.01 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1yia h LYS 131 Cb 1.13 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1yia h LYS 131 CO 0.10 0.87 -0.26 0.00 -2.27 0.00 0.00 179.45 177.88 1yia h ALA 132 N 1.23 1.00 -0.33 5.00 0.00 -0.81 -1.26 119.26 124.08 1yia h ALA 132 Ca 0.28 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1yia h ALA 132 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1yia h ALA 132 CO -0.04 0.59 -0.33 0.93 0.00 0.00 0.00 179.25 180.40 1yia h GLU 133 N 0.51 0.81 -0.31 0.00 5.08 -0.47 -0.90 114.58 119.30 1yia h GLU 133 Ca 0.07 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1yia h GLU 133 Cb 0.72 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1yia h GLU 133 CO 0.06 1.06 0.05 0.82 -1.00 0.00 0.00 179.01 180.00 1yia h ILE 134 N 0.59 1.16 0.17 3.13 2.04 -0.90 0.52 117.51 124.22 1yia h ILE 134 Ca 0.05 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1yia h ILE 134 Cb 0.91 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1yia h ILE 134 CO 0.08 0.20 -0.08 0.00 0.00 0.00 0.00 178.15 178.35 1yia h ALA 135 N 1.62 -0.23 0.00 1.87 0.00 -0.64 -1.99 119.26 119.88 1yia h ALA 135 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1yia h ALA 135 Cb 0.21 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yia h ALA 135 CO -0.00 -0.52 -0.12 -0.56 0.00 0.00 0.00 179.25 178.04 1yia h GLN 136 N -0.44 0.00 0.00 0.00 -0.00 -0.58 -2.34 115.11 111.75 1yia h GLN 136 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1yia h GLN 136 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1yia h GLN 136 CO 0.04 0.12 0.00 0.87 -0.00 0.00 0.00 178.83 179.86 1yia h LYS 137 N 0.00 0.00 -0.33 0.06 6.56 0.24 -3.47 116.57 119.63 1yia h LYS 137 Ca -0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.44 1yia h LYS 137 Cb 0.57 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.17 1yia h LYS 137 CO 0.02 0.00 -0.13 0.41 -2.06 0.00 0.00 179.45 177.69 1yia n GLY 138 N 1.03 0.87 0.19 3.86 0.00 -0.77 -4.91 105.19 105.46 1yia n GLY 138 Ca 0.04 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1yia n GLY 138 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1yia h TYR 139 N 0.00 -0.36 0.00 1.61 0.05 -1.83 -3.47 116.97 112.96 1yia h TYR 139 Ca -0.14 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.66 1yia h TYR 139 Cb 0.66 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1yia h TYR 139 CO 0.32 -0.21 0.00 0.41 -1.05 0.00 0.00 178.16 177.63 1yia n GLY 140 N -1.29 1.19 0.00 3.88 0.00 -1.26 -3.48 105.19 104.23 1yia n GLY 140 Ca -0.03 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.23 1yia n GLY 140 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yia n GLU 141 N 1.11 0.88 -0.67 1.61 1.02 -1.26 -4.69 120.64 118.65 1yia n GLU 141 Ca 0.00 -0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 1yia n GLU 141 Cb 0.00 -1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 1yia n GLU 141 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1yia n ARG 142 N -1.74 1.51 -3.11 3.49 1.74 -1.23 -4.84 116.66 112.48 1yia n ARG 142 Ca -0.01 -0.86 -0.40 0.00 -0.77 0.00 0.00 57.85 55.81 1yia n ARG 142 Cb 0.24 -1.99 -0.05 0.00 -1.02 0.00 0.00 32.46 29.64 1yia n ARG 142 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yia s VAL 143 N 2.15 5.05 0.12 1.55 1.01 -1.26 -4.89 120.40 124.14 1yia s VAL 143 Ca 0.42 1.28 -0.31 0.00 0.00 0.00 0.00 61.98 63.36 1yia s VAL 143 Cb 0.17 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1yia s VAL 143 CO -0.01 0.20 1.55 -2.16 0.00 0.00 0.00 175.10 174.69 1yia s PRO 144 N 1.22 4.23 0.21 2.72 0.04 -1.26 -4.87 135.00 137.29 1yia s PRO 144 Ca 0.32 2.29 -0.19 0.00 0.04 0.00 0.00 61.00 63.46 1yia s PRO 144 Cb -0.16 -3.31 0.20 0.00 0.04 0.00 0.00 34.50 31.26 1yia s PRO 144 CO 0.14 -0.61 1.56 0.00 0.04 0.00 0.00 177.00 178.13 1yia h ALA 145 N 7.27 0.09 -1.02 8.56 0.00 -1.95 -0.19 119.26 132.02 1yia h ALA 145 Ca -0.42 0.24 0.25 0.00 0.00 0.00 0.00 54.91 54.97 1yia h ALA 145 Cb 1.20 0.93 -0.11 0.00 0.00 0.00 0.00 17.79 19.81 1yia h ALA 145 CO 0.91 -0.64 0.63 0.78 0.00 0.00 0.00 179.25 180.92 1yia h GLY 146 N -0.06 1.60 0.98 0.00 0.00 -1.91 -0.07 103.07 103.62 1yia h GLY 146 Ca 0.31 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 1yia h GLY 146 CO -0.88 -0.17 -0.51 -2.75 0.00 0.00 0.00 176.54 172.23 1yia h PHE 147 N 0.53 0.85 -0.86 5.60 3.04 -1.18 -2.75 116.94 122.16 1yia h PHE 147 Ca 0.61 -0.34 0.07 0.00 3.98 0.00 0.00 57.97 62.30 1yia h PHE 147 Cb 1.29 -0.15 -0.06 0.00 2.56 0.00 0.00 35.95 39.60 1yia h PHE 147 CO -0.00 1.12 0.56 0.35 -2.02 0.00 0.00 178.31 178.32 1yia h PHE 148 N 0.33 0.96 -0.65 0.41 3.04 -0.54 -2.50 116.94 117.99 1yia h PHE 148 Ca -0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1yia h PHE 148 Cb 1.13 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1yia h PHE 148 CO 0.09 0.48 0.00 1.33 -2.02 0.00 0.00 178.31 178.20 1yia n VAL 149 N -4.50 1.93 0.26 1.41 0.24 -0.92 -4.56 118.33 112.19 1yia n VAL 149 Ca 0.13 -1.20 0.12 0.00 -2.04 0.00 0.00 64.34 61.35 1yia n VAL 149 Cb 0.24 0.08 0.71 0.00 -1.47 0.00 0.00 33.84 33.39 1yia n VAL 149 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1yia h TYR 150 N 4.12 0.00 -0.14 6.34 -0.00 -1.13 -1.81 116.97 124.34 1yia h TYR 150 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.76 1yia h TYR 150 Cb 1.52 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.24 1yia h TYR 150 CO 0.81 0.12 0.10 -1.35 -0.00 0.00 0.00 178.16 177.84 1yia h PRO 151 N 0.00 0.07 0.01 0.10 0.11 -1.82 -0.63 132.00 129.84 1yia h PRO 151 Ca -0.00 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.90 1yia h PRO 151 Cb 0.29 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1yia h PRO 151 CO 0.02 0.05 -0.90 -0.39 -0.21 0.00 0.00 178.00 176.56 1yia h VAL 152 N 0.07 1.49 0.00 3.15 -1.51 -1.70 -1.36 116.25 116.39 1yia h VAL 152 Ca 0.06 -2.64 -0.05 0.00 -1.23 0.00 0.00 66.70 62.84 1yia h VAL 152 Cb 0.17 2.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1yia h VAL 152 CO -0.01 0.77 -0.26 0.77 -1.23 0.00 0.00 177.57 177.61 1yia h SER 153 N 0.12 0.00 -0.27 4.19 4.64 -1.27 0.37 113.55 121.33 1yia h SER 153 Ca -0.05 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.08 1yia h SER 153 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1yia h SER 153 CO 0.14 0.26 -0.57 1.56 -0.87 0.00 0.00 176.83 177.35 1yia h GLN 154 N 0.00 0.87 -0.43 4.77 4.20 -0.75 -0.66 115.11 123.11 1yia h GLN 154 Ca -0.00 -0.56 -0.04 0.00 0.06 0.00 0.00 58.65 58.11 1yia h GLN 154 Cb 0.51 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1yia h GLN 154 CO 0.03 1.19 0.11 0.00 -0.67 0.00 0.00 178.83 179.50 1yia h ALA 155 N 0.68 1.40 -0.42 3.87 0.00 -0.05 0.17 119.26 124.91 1yia h ALA 155 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1yia h ALA 155 Cb 1.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1yia h ALA 155 CO 0.13 0.44 -0.14 0.00 0.00 0.00 0.00 179.25 179.67 1yia h ALA 156 N 1.51 0.96 0.24 0.00 0.00 0.18 -2.88 119.26 119.26 1yia h ALA 156 Ca 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1yia h ALA 156 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1yia h ALA 156 CO -0.00 0.61 -0.19 -0.44 0.00 0.00 0.00 179.25 179.23 1yia h ASP 157 N 0.70 -0.49 -0.10 0.00 3.32 0.82 -1.98 116.42 118.70 1yia h ASP 157 Ca 0.11 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.24 1yia h ASP 157 Cb 0.63 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.28 1yia h ASP 157 CO 0.04 -0.29 -0.41 0.40 -1.72 0.00 0.00 179.24 177.27 1yia h ILE 158 N -0.44 0.17 -0.26 0.35 1.08 -1.16 -2.80 117.51 114.45 1yia h ILE 158 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1yia h ILE 158 Cb 0.39 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1yia h ILE 158 CO -0.02 0.00 0.09 0.00 -0.69 0.00 0.00 178.15 177.54 1yia h ALA 159 N 0.12 0.34 -0.69 1.87 0.00 -1.50 -1.92 119.26 117.48 1yia h ALA 159 Ca 0.07 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1yia h ALA 159 Cb 0.62 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1yia h ALA 159 CO -0.37 -0.04 0.39 0.00 0.00 0.00 0.00 179.25 179.22 1yia h ALA 160 N 0.93 0.93 -0.00 0.00 0.00 -1.33 0.60 119.26 120.38 1yia h ALA 160 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1yia h ALA 160 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1yia h ALA 160 CO -0.00 0.07 -0.03 1.19 0.00 0.00 0.00 179.25 180.48 1yia n PHE 161 N -4.77 0.00 -3.50 0.00 0.99 -1.06 -3.89 117.46 105.22 1yia n PHE 161 Ca 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.36 1yia n PHE 161 Cb 0.18 -0.18 0.07 0.00 -1.00 0.00 0.00 39.48 38.55 1yia n PHE 161 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yia n GLY 162 N 1.21 -0.38 3.79 1.37 0.00 0.20 -4.94 105.19 106.43 1yia n GLY 162 Ca 0.17 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 1yia n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yia s ALA 163 N -3.45 3.50 -0.68 4.61 0.00 -0.78 -4.72 121.76 120.24 1yia s ALA 163 Ca 0.03 0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.28 1yia s ALA 163 Cb -0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1yia s ALA 163 CO 0.76 0.31 0.52 0.25 0.00 0.00 0.00 175.76 177.60 1yia n THR 164 N 1.80 0.00 -3.98 0.00 -2.24 -0.03 -4.31 114.28 105.51 1yia n THR 164 Ca -0.07 -0.37 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 1yia n THR 164 Cb 0.50 1.07 -0.16 0.00 -2.10 0.00 0.00 70.33 69.63 1yia n THR 164 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1yia s LEU 165 N -1.85 1.19 -0.12 3.22 0.20 -1.01 -1.39 118.68 118.92 1yia s LEU 165 Ca 0.06 -0.05 -0.01 0.00 0.69 0.00 0.00 54.13 54.81 1yia s LEU 165 Cb 0.07 -0.28 0.04 0.00 -0.43 0.00 0.00 46.19 45.58 1yia s LEU 165 CO 0.27 -0.09 -0.01 0.68 -0.29 0.00 0.00 176.35 176.91 1yia s VAL 166 N 1.02 0.62 0.17 1.68 -7.23 0.13 -2.24 120.40 114.55 1yia s VAL 166 Ca -0.10 -0.19 -0.32 0.00 -1.81 0.00 0.00 61.98 59.56 1yia s VAL 166 Cb -0.14 -0.83 -0.11 0.00 0.56 0.00 0.00 36.38 35.87 1yia s VAL 166 CO -0.01 0.16 1.62 -2.84 -0.31 0.00 0.00 175.10 173.72 1yia s PRO 167 N 1.86 4.19 -0.06 4.82 0.02 -1.26 -1.67 135.00 142.90 1yia s PRO 167 Ca 0.03 2.43 -0.08 0.00 0.02 0.00 0.00 61.00 63.40 1yia s PRO 167 Cb -0.14 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.24 1yia s PRO 167 CO -0.07 -0.66 0.21 0.54 -0.33 0.00 0.00 177.00 176.70 1yia s VAL 168 N 1.25 0.02 0.20 3.83 0.11 -0.90 -4.87 120.40 120.04 1yia s VAL 168 Ca 0.72 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 59.54 1yia s VAL 168 Cb -0.45 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1yia s VAL 168 CO 0.32 -0.11 0.42 -0.83 -3.33 0.00 0.00 175.10 171.56 1yia s GLY 169 N -0.35 1.96 0.00 6.54 0.00 -1.26 0.50 107.32 114.71 1yia s GLY 169 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1yia s GLY 169 CO 0.01 -0.61 0.92 2.09 0.00 0.00 0.00 173.10 175.51 1yia n ASP 170 N -0.45 0.00 0.08 1.64 5.75 -1.26 0.98 116.55 123.29 1yia n ASP 170 Ca -0.03 0.42 0.12 0.00 -0.01 0.00 0.00 54.79 55.30 1yia n ASP 170 Cb 0.53 -0.42 0.27 0.00 -1.03 0.00 0.00 41.12 40.47 1yia n ASP 170 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1yia n ASP 171 N -1.42 0.77 -0.40 -1.12 8.00 -1.26 -3.50 116.55 117.62 1yia n ASP 171 Ca 0.00 0.32 0.07 0.00 0.71 0.00 0.00 54.79 55.89 1yia n ASP 171 Cb 0.07 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 40.93 1yia n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yia n GLN 172 N -2.20 1.44 -0.12 -1.24 3.00 0.27 -4.54 117.38 114.00 1yia n GLN 172 Ca 0.04 -0.97 0.15 0.00 -0.01 0.00 0.00 57.00 56.21 1yia n GLN 172 Cb 0.44 -1.21 0.53 0.00 0.00 0.00 0.00 30.24 30.00 1yia n GLN 172 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1yia h LEU 173 N 1.98 0.32 -1.10 1.08 3.38 -1.54 0.28 115.31 119.71 1yia h LEU 173 Ca 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1yia h LEU 173 Cb 0.49 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1yia h LEU 173 CO 0.00 0.18 -0.36 1.55 0.09 0.00 0.00 178.44 179.90 1yia h PRO 174 N 0.35 0.00 0.13 1.13 0.13 -1.81 0.47 132.00 132.40 1yia h PRO 174 Ca 0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.45 1yia h PRO 174 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1yia h PRO 174 CO -0.09 0.36 -0.06 1.98 -0.23 0.00 0.00 178.00 179.96 1yia h MET 175 N 0.00 -0.16 -0.01 0.86 -1.53 -0.81 -0.07 114.93 113.20 1yia h MET 175 Ca -0.00 0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 1yia h MET 175 Cb 0.80 0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.87 1yia h MET 175 CO 0.05 0.24 -0.07 1.25 0.14 0.00 0.00 176.91 178.52 1yia h LEU 176 N -0.62 -0.20 -1.08 3.39 7.12 -0.95 -1.89 115.31 121.09 1yia h LEU 176 Ca -0.02 0.03 0.09 0.00 0.13 0.00 0.00 57.88 58.11 1yia h LEU 176 Cb 0.48 0.09 -0.07 0.00 -0.53 0.00 0.00 40.66 40.63 1yia h LEU 176 CO 0.03 -0.10 0.62 -0.08 -0.13 0.00 0.00 178.44 178.78 1yia h GLU 177 N -0.11 1.01 -0.84 1.25 4.57 0.00 0.78 114.58 121.24 1yia h GLU 177 Ca 0.03 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1yia h GLU 177 Cb 0.16 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 1yia h GLU 177 CO -0.08 0.67 0.45 0.37 -1.18 0.00 0.00 179.01 179.24 1yia h GLN 178 N 1.04 1.18 -0.51 1.92 4.15 -0.54 -1.75 115.11 120.59 1yia h GLN 178 Ca 0.44 -0.14 0.09 0.00 0.77 0.00 0.00 58.65 59.81 1yia h GLN 178 Cb 0.31 -0.23 -0.08 0.00 0.21 0.00 0.00 27.48 27.70 1yia h GLN 178 CO -0.19 0.87 0.08 1.15 -1.93 0.00 0.00 178.83 178.81 1yia h THR 179 N 1.17 0.68 -0.95 2.39 2.02 -0.08 0.87 112.91 119.01 1yia h THR 179 Ca 0.29 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1yia h THR 179 Cb 0.05 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 1yia h THR 179 CO -0.05 0.04 0.62 0.03 0.37 0.00 0.00 175.52 176.53 1yia h ARG 180 N 0.21 1.13 -0.26 6.66 2.47 -0.67 0.09 114.38 124.01 1yia h ARG 180 Ca 0.26 -0.07 -0.13 0.00 -1.26 0.00 0.00 59.98 58.79 1yia h ARG 180 Cb 0.37 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1yia h ARG 180 CO -0.36 0.75 -0.37 0.93 0.56 0.00 0.00 179.97 181.48 1yia h GLU 181 N 1.16 0.58 0.35 0.04 5.08 -0.26 -2.15 114.58 119.38 1yia h GLU 181 Ca 0.39 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1yia h GLU 181 Cb 0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1yia h GLU 181 CO -0.14 0.86 -0.17 0.82 -1.00 0.00 0.00 179.01 179.38 1yia h ILE 182 N 0.48 0.60 -0.98 3.13 2.04 0.17 0.51 117.51 123.46 1yia h ILE 182 Ca 0.05 -0.57 0.13 0.00 1.00 0.00 0.00 64.86 65.47 1yia h ILE 182 Cb 0.86 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.71 1yia h ILE 182 CO 0.07 0.10 0.61 0.58 0.00 0.00 0.00 178.15 179.51 1yia h VAL 183 N -0.82 0.88 -0.36 1.67 2.07 -1.05 0.28 116.25 118.92 1yia h VAL 183 Ca -0.05 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1yia h VAL 183 Cb 0.53 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1yia h VAL 183 CO 0.08 0.17 0.20 -0.09 0.02 0.00 0.00 177.57 177.95 1yia h ARG 184 N 0.94 0.49 -0.36 1.57 2.43 -1.28 0.18 114.38 118.36 1yia h ARG 184 Ca 0.50 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.55 1yia h ARG 184 Cb 0.54 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1yia h ARG 184 CO -0.28 0.40 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.41 1yia h ARG 185 N 0.46 0.60 -0.12 0.20 9.65 0.81 -2.09 114.38 123.88 1yia h ARG 185 Ca 0.13 -0.16 -0.08 0.00 -1.10 0.00 0.00 59.98 58.76 1yia h ARG 185 Cb 0.04 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1yia h ARG 185 CO -0.02 0.67 -0.24 0.35 2.80 0.00 0.00 179.97 183.53 1yia h PHE 186 N 0.56 0.47 -0.18 2.20 3.04 0.21 -2.37 116.94 120.87 1yia h PHE 186 Ca 0.11 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1yia h PHE 186 Cb 0.46 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1yia h PHE 186 CO 0.02 0.85 0.11 -0.91 -2.02 0.00 0.00 178.31 176.36 1yia h ASN 187 N -0.05 0.21 0.21 0.41 2.35 -0.56 -0.83 115.58 117.32 1yia h ASN 187 Ca 0.00 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1yia h ASN 187 Cb 0.83 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1yia h ASN 187 CO 0.05 0.18 -0.20 0.00 -1.65 0.00 0.00 177.43 175.82 1yia h ALA 188 N 1.03 1.64 0.08 -0.83 0.00 -1.41 -2.68 119.26 117.09 1yia h ALA 188 Ca 0.06 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 1yia h ALA 188 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1yia h ALA 188 CO -0.01 0.24 -1.46 1.25 0.00 0.00 0.00 179.25 179.27 1yia h LEU 189 N 0.00 0.26 0.00 0.00 5.85 -1.14 -3.45 115.31 116.82 1yia h LEU 189 Ca -0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1yia h LEU 189 Cb 0.35 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1yia h LEU 189 CO 0.03 1.30 0.00 -1.22 -0.34 0.00 0.00 178.44 178.20 1yia n TYR 190 N -3.37 0.00 -3.81 1.25 0.53 -0.34 -5.09 117.16 106.33 1yia n TYR 190 Ca -0.13 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.62 1yia n TYR 190 Cb 1.02 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 39.23 1yia n TYR 190 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1yia s ALA 191 N -2.41 -0.55 -0.71 -0.72 0.00 -1.02 -4.99 121.76 111.36 1yia s ALA 191 Ca 0.00 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.11 1yia s ALA 191 Cb 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 23.12 22.72 1yia s ALA 191 CO 0.00 -0.16 1.87 -0.35 0.00 0.00 0.00 175.76 177.12 1yia n PRO 192 N 2.29 0.83 -0.00 0.00 -0.04 -1.19 -4.30 135.00 132.59 1yia n PRO 192 Ca -0.17 -1.73 0.05 0.00 -0.04 0.00 0.00 63.50 61.62 1yia n PRO 192 Cb 0.57 -3.19 -0.07 0.00 -0.04 0.00 0.00 33.50 30.77 1yia n PRO 192 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1yia n VAL 193 N 7.31 0.00 -4.04 0.52 0.31 -1.26 -4.99 118.33 116.17 1yia n VAL 193 Ca 0.46 -0.25 -0.36 0.00 -0.01 0.00 0.00 64.34 64.18 1yia n VAL 193 Cb 0.44 0.71 -0.07 0.00 -0.91 0.00 0.00 33.84 34.00 1yia n VAL 193 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1yia s LEU 194 N -3.00 4.11 0.23 7.52 1.43 -1.26 -5.01 118.68 122.70 1yia s LEU 194 Ca 0.01 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 1yia s LEU 194 Cb 0.08 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1yia s LEU 194 CO 0.45 0.38 0.92 0.00 0.23 0.00 0.00 176.35 178.33 1yia s ALA 195 N -1.03 3.35 -0.25 4.21 0.00 -1.26 -4.96 121.76 121.82 1yia s ALA 195 Ca 0.16 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 1yia s ALA 195 Cb -0.12 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 1yia s ALA 195 CO 0.06 0.22 0.87 -2.00 0.00 0.00 0.00 175.76 174.91 1yia s GLU 196 N -1.18 4.17 0.58 0.00 2.12 -1.26 -4.90 118.70 118.24 1yia s GLU 196 Ca 0.40 0.98 -0.16 0.00 0.36 0.00 0.00 54.97 56.55 1yia s GLU 196 Cb -0.26 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 1yia s GLU 196 CO 0.31 -0.57 1.06 -1.25 -0.54 0.00 0.00 175.26 174.28 1yia s PRO 197 N 2.95 3.35 0.13 4.30 0.04 -1.26 -4.85 135.00 139.65 1yia s PRO 197 Ca 0.37 1.25 0.10 0.00 0.04 0.00 0.00 61.00 62.76 1yia s PRO 197 Cb -0.15 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1yia s PRO 197 CO 0.08 -0.79 -0.26 -0.65 0.04 0.00 0.00 177.00 175.42 1yia s GLN 198 N -3.94 1.35 0.38 4.56 -0.21 -0.48 -4.90 119.66 116.42 1yia s GLN 198 Ca 0.65 -1.32 -0.11 0.00 0.02 0.00 0.00 55.36 54.60 1yia s GLN 198 Cb -0.17 -1.81 -0.07 0.00 1.00 0.00 0.00 33.01 31.97 1yia s GLN 198 CO 0.35 0.43 0.75 0.00 -2.12 0.00 0.00 175.29 174.69 1yia s ALA 199 N -1.09 3.36 -0.60 6.09 0.00 -1.26 -0.69 121.76 127.56 1yia s ALA 199 Ca 0.13 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1yia s ALA 199 Cb -0.10 -2.69 0.16 0.00 0.00 0.00 0.00 23.12 20.49 1yia s ALA 199 CO 0.06 0.08 0.40 -1.14 0.00 0.00 0.00 175.76 175.16 1yia s GLN 200 N -3.64 2.03 0.39 0.00 -0.44 -0.67 -4.80 119.66 112.52 1yia s GLN 200 Ca 0.51 -2.89 -0.25 0.00 -2.50 0.00 0.00 55.36 50.23 1yia s GLN 200 Cb -0.10 -3.01 -0.11 0.00 -1.64 0.00 0.00 33.01 28.15 1yia s GLN 200 CO 0.28 -1.25 1.01 -0.11 0.50 0.00 0.00 175.29 175.72 1yia n LEU 201 N 2.49 2.40 -0.02 3.68 0.00 -1.26 -2.12 117.00 122.17 1yia n LEU 201 Ca 0.17 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.25 1yia n LEU 201 Cb 0.36 -1.34 0.00 0.00 0.00 0.00 0.00 43.42 42.44 1yia n LEU 201 CO 0.26 -1.46 0.00 -1.54 0.00 0.00 0.00 177.39 174.65 1yia n SER 202 N 0.70 0.00 -0.47 1.96 3.41 0.18 -4.84 113.62 114.55 1yia n SER 202 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1yia n SER 202 Cb 0.37 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1yia n SER 202 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1yia n ARG 203 N -0.49 0.00 -1.12 4.33 1.85 -1.26 -4.79 116.66 115.18 1yia n ARG 203 Ca 0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 57.85 56.40 1yia n ARG 203 Cb 0.45 -0.23 0.00 0.00 -1.05 0.00 0.00 32.46 31.62 1yia n ARG 203 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1yia n VAL 204 N 0.00 -2.20 0.00 8.89 0.31 -1.26 -4.88 118.33 119.19 1yia n VAL 204 Ca 0.00 1.08 0.00 0.00 -0.01 0.00 0.00 64.34 65.41 1yia n VAL 204 Cb 0.59 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1yia n VAL 204 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1yia n PRO 205 N -2.19 0.00 -2.88 5.55 -0.02 -1.26 -4.87 135.00 129.32 1yia n PRO 205 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 1yia n PRO 205 Cb 0.32 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.75 1yia n PRO 205 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1yia s ARG 206 N 0.00 4.60 0.10 -0.52 3.52 -1.26 -4.94 118.95 120.46 1yia s ARG 206 Ca 0.00 1.24 -0.31 0.00 -0.13 0.00 0.00 55.73 56.53 1yia s ARG 206 Cb 0.00 -3.34 -0.11 0.00 -1.56 0.00 0.00 34.95 29.94 1yia s ARG 206 CO 0.00 0.34 1.85 -0.11 -0.81 0.00 0.00 175.30 176.57 1yia n LEU 207 N 2.45 3.99 -4.81 -0.88 7.94 -1.26 -4.99 117.00 119.45 1yia n LEU 207 Ca -0.02 0.98 -0.29 0.00 -1.11 0.00 0.00 56.01 55.57 1yia n LEU 207 Cb 0.49 -1.53 0.11 0.00 0.53 0.00 0.00 43.42 43.02 1yia n LEU 207 CO 0.48 0.15 0.72 -2.16 -1.11 0.00 0.00 177.39 175.47 1yia s PRO 208 N 3.00 1.75 0.59 1.96 0.04 -1.26 -3.60 135.00 137.48 1yia s PRO 208 Ca 0.84 0.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.25 1yia s PRO 208 Cb -0.50 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1yia s PRO 208 CO 0.39 -1.82 0.97 0.20 0.04 0.00 0.00 177.00 176.78 1yia s GLY 209 N -4.01 1.61 0.45 0.56 0.00 0.21 -4.58 107.32 101.57 1yia s GLY 209 Ca 0.62 -0.24 0.22 0.00 0.00 0.00 0.00 44.72 45.32 1yia s GLY 209 CO 0.53 0.01 1.85 1.41 0.00 0.00 0.00 173.10 176.91 1yia h LEU 210 N -0.20 0.29 -2.77 0.66 4.07 -1.58 1.12 115.31 116.91 1yia h LEU 210 Ca -0.45 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.53 1yia h LEU 210 Cb 1.20 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1yia h LEU 210 CO 0.62 0.10 0.02 -0.67 -1.08 0.00 0.00 178.44 177.43 1yia n ASP 211 N -4.46 4.18 0.00 -0.43 -0.08 -1.26 -1.49 116.55 113.02 1yia n ASP 211 Ca 0.20 -2.66 0.00 0.00 -1.51 0.00 0.00 54.79 50.83 1yia n ASP 211 Cb 0.82 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1yia n ASP 211 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yia n GLY 212 N 0.37 1.07 3.73 0.27 0.00 0.39 -4.70 105.19 106.31 1yia n GLY 212 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1yia n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yia s GLN 213 N -0.20 1.92 0.26 1.61 -0.21 -1.25 -4.66 119.66 117.12 1yia s GLN 213 Ca 0.00 1.51 -0.03 0.00 0.02 0.00 0.00 55.36 56.86 1yia s GLN 213 Cb 0.00 -1.83 0.40 0.00 1.00 0.00 0.00 33.01 32.58 1yia s GLN 213 CO 0.00 -1.95 1.85 0.00 -2.12 0.00 0.00 175.29 173.08 1yia h ALA 214 N -0.92 1.31 -3.49 6.09 0.00 -1.95 0.63 119.26 120.93 1yia h ALA 214 Ca -0.45 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.79 1yia h ALA 214 Cb 1.27 -0.24 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 1yia h ALA 214 CO 0.48 0.31 -0.69 0.21 0.00 0.00 0.00 179.25 179.56 1yia s LYS 215 N -6.03 3.15 -0.24 0.00 2.20 -1.26 -4.21 119.74 113.35 1yia s LYS 215 Ca -0.12 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 54.77 1yia s LYS 215 Cb 0.20 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 1yia s LYS 215 CO 0.80 0.46 0.42 1.41 -0.36 0.00 0.00 175.35 178.08 1yia s MET 216 N -0.25 4.10 -0.06 4.03 -2.45 -1.24 -3.95 119.30 119.48 1yia s MET 216 Ca 0.04 0.18 -0.21 0.00 -1.25 0.00 0.00 55.69 54.45 1yia s MET 216 Cb -0.13 -3.60 0.04 0.00 1.25 0.00 0.00 34.83 32.40 1yia s MET 216 CO 0.03 -0.18 0.48 0.45 1.05 0.00 0.00 175.02 176.84 1yia s SER 217 N 1.34 -0.42 0.13 1.11 0.15 -1.26 -4.94 113.70 109.81 1yia s SER 217 Ca 0.18 0.49 -0.18 0.00 0.70 0.00 0.00 55.95 57.14 1yia s SER 217 Cb -0.15 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1yia s SER 217 CO 0.09 -0.45 1.79 0.50 1.20 0.00 0.00 173.24 176.37 1yia h LYS 218 N 3.86 0.34 -0.47 5.44 3.64 -1.93 -1.79 116.57 125.66 1yia h LYS 218 Ca -0.28 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.17 1yia h LYS 218 Cb 1.16 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.81 1yia h LYS 218 CO 0.35 0.22 -0.16 1.03 -2.27 0.00 0.00 179.45 178.62 1yia h SER 219 N 0.35 -0.58 0.64 4.20 0.87 -2.01 0.28 113.55 117.29 1yia h SER 219 Ca 0.10 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1yia h SER 219 Cb -0.03 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1yia h SER 219 CO -0.03 -0.20 0.00 0.18 -0.53 0.00 0.00 176.83 176.25 1yia n LEU 220 N -5.37 0.31 -0.44 2.23 4.77 -0.97 -4.87 117.00 112.66 1yia n LEU 220 Ca 0.04 0.57 -0.06 0.00 -0.03 0.00 0.00 56.01 56.53 1yia n LEU 220 Cb 0.28 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1yia n LEU 220 CO 0.10 -0.38 -0.06 0.61 -1.33 0.00 0.00 177.39 176.34 1yia n GLY 221 N 0.08 0.83 2.11 -0.72 0.00 0.97 -4.93 105.19 103.52 1yia n GLY 221 Ca 0.03 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 1yia n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yia n ASN 222 N 1.05 4.57 -4.52 1.61 0.23 -1.00 -4.98 115.26 112.23 1yia n ASN 222 Ca -0.06 -3.57 -0.25 0.00 -0.53 0.00 0.00 54.58 50.17 1yia n ASN 222 Cb 0.19 -0.36 -0.10 0.00 -2.08 0.00 0.00 39.78 37.43 1yia n ASN 222 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1yia s ALA 223 N -3.62 2.88 -0.25 -2.53 0.00 -1.25 -1.43 121.76 115.56 1yia s ALA 223 Ca 0.48 -2.01 0.02 0.00 0.00 0.00 0.00 51.96 50.46 1yia s ALA 223 Cb 0.40 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.45 1yia s ALA 223 CO 0.03 0.15 -0.11 0.42 0.00 0.00 0.00 175.76 176.25 1yia s ILE 224 N -2.57 2.21 0.47 0.00 1.01 -1.26 -5.00 121.20 116.06 1yia s ILE 224 Ca 0.32 -1.53 -0.21 0.00 0.00 0.00 0.00 60.65 59.22 1yia s ILE 224 Cb -0.00 -2.25 -0.08 0.00 0.01 0.00 0.00 42.46 40.13 1yia s ILE 224 CO 0.16 0.04 1.07 0.00 0.00 0.00 0.00 174.94 176.20 1yia s ALA 225 N 1.13 2.90 0.55 9.38 0.00 -1.26 -1.60 121.76 132.86 1yia s ALA 225 Ca -0.07 0.69 0.25 0.00 0.00 0.00 0.00 51.96 52.83 1yia s ALA 225 Cb -0.19 -3.29 1.58 0.00 0.00 0.00 0.00 23.12 21.22 1yia s ALA 225 CO -0.06 -0.39 2.19 -0.07 0.00 0.00 0.00 175.76 177.44 1yia h LEU 226 N 1.75 0.00 -1.34 0.00 4.07 -1.78 0.13 115.31 118.14 1yia h LEU 226 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1yia h LEU 226 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1yia h LEU 226 CO 0.59 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.59 1yia n GLY 227 N -1.32 0.61 3.75 0.83 0.00 -1.26 -4.74 105.19 103.07 1yia n GLY 227 Ca -0.03 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 1yia n GLY 227 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yia s ASP 228 N -1.40 7.08 0.72 1.61 1.01 0.03 -4.98 116.67 120.74 1yia s ASP 228 Ca 0.31 2.37 -0.16 0.00 0.71 0.00 0.00 52.55 55.78 1yia s ASP 228 Cb 0.17 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.51 1yia s ASP 228 CO 0.24 -0.32 1.25 -0.94 0.21 0.00 0.00 175.17 175.61 1yia s SER 229 N -0.42 4.13 0.57 0.27 1.04 -1.26 -4.69 113.70 113.34 1yia s SER 229 Ca 0.49 2.50 0.27 0.00 0.48 0.00 0.00 55.95 59.69 1yia s SER 229 Cb -0.34 -2.60 1.65 0.00 0.10 0.00 0.00 66.02 64.83 1yia s SER 229 CO 0.42 -2.32 2.18 0.00 0.98 0.00 0.00 173.24 174.51 1yia h ALA 230 N -0.13 1.74 0.15 5.32 0.00 -1.99 0.48 119.26 124.83 1yia h ALA 230 Ca -0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1yia h ALA 230 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1yia h ALA 230 CO 0.50 -0.11 -0.07 0.22 0.00 0.00 0.00 179.25 179.78 1yia h ASP 231 N 0.00 -0.17 -0.31 0.00 3.58 -1.99 -1.94 116.42 115.59 1yia h ASP 231 Ca 0.04 -0.35 0.07 0.00 0.42 0.00 0.00 57.03 57.20 1yia h ASP 231 Cb 0.19 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.21 1yia h ASP 231 CO -0.00 0.32 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.19 1yia h GLU 232 N -0.73 -0.11 -0.59 0.28 4.39 -1.41 0.50 114.58 116.91 1yia h GLU 232 Ca -0.02 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.81 1yia h GLU 232 Cb 0.52 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 1yia h GLU 232 CO 0.03 -0.07 -0.03 0.28 -1.16 0.00 0.00 179.01 178.06 1yia h VAL 233 N -0.12 0.49 0.02 3.13 2.07 -1.01 0.15 116.25 120.98 1yia h VAL 233 Ca 0.16 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1yia h VAL 233 Cb 0.36 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1yia h VAL 233 CO -0.38 0.02 -0.18 0.00 0.02 0.00 0.00 177.57 177.04 1yia h ALA 234 N 1.55 -0.24 -0.05 1.67 0.00 -0.14 -1.72 119.26 120.33 1yia h ALA 234 Ca 0.30 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1yia h ALA 234 Cb 0.48 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1yia h ALA 234 CO -0.53 -0.68 -0.21 0.00 0.00 0.00 0.00 179.25 177.83 1yia h ARG 235 N -0.31 -0.30 -0.55 0.00 3.08 0.57 -2.24 114.38 114.62 1yia h ARG 235 Ca 0.05 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.18 1yia h ARG 235 Cb 0.37 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1yia h ARG 235 CO -0.16 -0.20 0.26 0.87 -1.07 0.00 0.00 179.97 179.67 1yia h LYS 236 N -0.31 0.47 -0.71 0.04 1.57 -0.64 -1.17 116.57 115.82 1yia h LYS 236 Ca 0.07 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1yia h LYS 236 Cb 0.41 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1yia h LYS 236 CO -0.23 0.31 0.47 0.28 -0.57 0.00 0.00 179.45 179.71 1yia h VAL 237 N 0.48 1.08 -0.56 0.50 2.07 -1.03 -2.39 116.25 116.40 1yia h VAL 237 Ca 0.26 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1yia h VAL 237 Cb 0.22 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1yia h VAL 237 CO -0.21 0.15 0.18 0.24 0.02 0.00 0.00 177.57 177.95 1yia h MET 238 N 0.82 0.83 -0.63 1.57 2.86 -0.63 -2.34 114.93 117.41 1yia h MET 238 Ca 0.29 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1yia h MET 238 Cb 0.13 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1yia h MET 238 CO -0.09 0.71 0.00 0.41 1.06 0.00 0.00 176.91 179.01 1yia n GLY 239 N -0.96 2.00 3.77 8.32 0.00 -0.92 -4.97 105.19 112.42 1yia n GLY 239 Ca 0.04 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1yia n GLY 239 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yia s MET 240 N -1.83 4.32 0.56 1.61 -1.94 -0.88 -4.89 119.30 116.25 1yia s MET 240 Ca 0.35 1.89 -0.21 0.00 -1.71 0.00 0.00 55.69 56.00 1yia s MET 240 Cb 0.23 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 1yia s MET 240 CO 0.15 -0.11 1.35 -0.47 -0.01 0.00 0.00 175.02 175.94 1yia s TYR 241 N -1.29 2.25 0.00 -0.03 5.04 -0.55 -4.97 117.35 117.80 1yia s TYR 241 Ca 0.51 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.53 1yia s TYR 241 Cb -0.32 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.20 1yia s TYR 241 CO 0.42 -2.92 0.00 0.25 -1.34 0.00 0.00 175.55 171.96 1yia n THR 242 N -1.17 0.00 -3.26 4.34 -2.24 -1.26 -4.39 114.28 106.31 1yia n THR 242 Ca 0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1yia n THR 242 Cb 0.45 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1yia n THR 242 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yia s ASP 243 N 0.34 -0.35 0.37 3.42 2.15 -1.26 -4.06 116.67 117.28 1yia s ASP 243 Ca 0.00 0.13 0.20 0.00 0.43 0.00 0.00 52.55 53.31 1yia s ASP 243 Cb 0.00 1.47 1.26 0.00 -0.30 0.00 0.00 42.92 45.35 1yia s ASP 243 CO 0.00 -0.31 1.62 1.55 -0.17 0.00 0.00 175.17 177.86 1yia h PRO 244 N 8.11 0.14 0.00 4.34 0.13 -1.99 0.30 132.00 143.03 1yia h PRO 244 Ca -0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1yia h PRO 244 Cb 1.15 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1yia h PRO 244 CO 0.25 0.09 -0.01 0.41 -0.23 0.00 0.00 178.00 178.51 1yia n GLY 245 N -1.32 -1.57 3.56 1.56 0.00 -1.26 -4.66 105.19 101.51 1yia n GLY 245 Ca 0.35 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1yia n GLY 245 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1yia s HIS 246 N -3.04 3.14 -0.09 1.61 5.04 0.10 -4.90 115.29 117.15 1yia s HIS 246 Ca 0.13 0.29 0.10 0.00 -1.54 0.00 0.00 55.06 54.04 1yia s HIS 246 Cb 0.17 -3.14 -0.15 0.00 0.04 0.00 0.00 32.58 29.50 1yia s HIS 246 CO 0.56 -0.65 0.08 1.28 -2.34 0.00 0.00 174.74 173.67 1yia n LEU 247 N 6.04 0.00 -3.79 8.88 4.32 -1.26 -4.79 117.00 126.40 1yia n LEU 247 Ca -0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.88 1yia n LEU 247 Cb 0.48 0.23 -0.06 0.00 -1.62 0.00 0.00 43.42 42.45 1yia n LEU 247 CO 0.49 0.23 0.04 0.00 -1.22 0.00 0.00 177.39 176.93 1yia s ARG 248 N -2.37 1.03 0.19 3.23 3.03 -1.26 -5.07 118.95 117.73 1yia s ARG 248 Ca -0.05 -0.91 -0.18 0.00 2.03 0.00 0.00 55.73 56.62 1yia s ARG 248 Cb 0.04 0.41 0.15 0.00 -1.03 0.00 0.00 34.95 34.52 1yia s ARG 248 CO 0.47 -0.38 1.62 0.00 -1.13 0.00 0.00 175.30 175.87 1yia h ALA 249 N 2.53 0.16 -0.80 7.88 0.00 -1.90 -1.83 119.26 125.30 1yia h ALA 249 Ca -0.33 0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.92 1yia h ALA 249 Cb 1.23 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 19.48 1yia h ALA 249 CO 0.50 -0.55 0.32 0.66 0.00 0.00 0.00 179.25 180.17 1yia h SER 250 N -0.10 0.27 -3.65 0.00 4.64 -1.91 0.53 113.55 113.33 1yia h SER 250 Ca 0.24 0.12 -0.56 0.00 -0.47 0.00 0.00 61.79 61.13 1yia h SER 250 Cb 0.48 0.11 0.18 0.00 -0.31 0.00 0.00 62.40 62.86 1yia h SER 250 CO -0.59 0.07 0.02 0.47 -0.87 0.00 0.00 176.83 175.93 1yia n ASP 251 N -5.02 0.24 -4.84 4.97 9.92 -0.69 -2.27 116.55 118.86 1yia n ASP 251 Ca 0.16 0.68 -0.35 0.00 -0.53 0.00 0.00 54.79 54.76 1yia n ASP 251 Cb 0.48 -1.37 -0.06 0.00 -0.64 0.00 0.00 41.12 39.53 1yia n ASP 251 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1yia s PRO 252 N -3.14 4.05 0.17 -0.24 0.04 -1.26 -3.81 135.00 130.80 1yia s PRO 252 Ca 0.73 0.62 0.08 0.00 0.04 0.00 0.00 61.00 62.46 1yia s PRO 252 Cb -0.36 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1yia s PRO 252 CO 0.51 0.36 -0.17 0.20 0.04 0.00 0.00 177.00 177.95 1yia s GLY 253 N -1.90 1.36 0.13 0.56 0.00 -0.89 -4.61 107.32 101.97 1yia s GLY 253 Ca 0.44 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 1yia s GLY 253 CO 0.20 -1.57 0.47 -1.60 0.00 0.00 0.00 173.10 170.59 1yia s ARG 254 N -3.01 3.84 -0.22 2.90 3.52 -1.26 -3.88 118.95 120.85 1yia s ARG 254 Ca 0.17 0.29 -0.19 0.00 -0.13 0.00 0.00 55.73 55.87 1yia s ARG 254 Cb -0.04 -2.92 -0.18 0.00 -1.56 0.00 0.00 34.95 30.24 1yia s ARG 254 CO 0.06 0.49 0.12 0.28 -0.81 0.00 0.00 175.30 175.45 1yia n VAL 255 N 0.69 1.55 -1.69 7.11 0.31 -1.26 -4.63 118.33 120.41 1yia n VAL 255 Ca -0.06 -0.14 -0.44 0.00 -0.01 0.00 0.00 64.34 63.69 1yia n VAL 255 Cb 0.52 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 1yia n VAL 255 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1yia n GLU 256 N -4.32 2.28 0.00 5.55 0.00 -1.26 -1.17 120.64 121.72 1yia n GLU 256 Ca -0.36 0.82 0.00 0.00 0.00 0.00 0.00 57.16 57.61 1yia n GLU 256 Cb 0.75 -2.54 0.00 0.00 0.00 0.00 0.00 31.44 29.65 1yia n GLU 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1yia n GLY 257 N 2.50 2.96 3.49 -1.84 0.00 -1.26 -4.96 105.19 106.07 1yia n GLY 257 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1yia n GLY 257 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yia s ASN 258 N -1.73 6.21 0.50 1.61 3.04 -0.32 -4.92 114.94 119.34 1yia s ASN 258 Ca 0.00 -0.92 0.29 0.00 0.04 0.00 0.00 52.86 52.27 1yia s ASN 258 Cb 0.00 -2.47 1.40 0.00 -1.54 0.00 0.00 41.25 38.64 1yia s ASN 258 CO 0.00 -1.54 1.84 1.55 -3.04 0.00 0.00 177.10 175.91 1yia h PRO 259 N 9.67 0.10 -0.77 0.43 0.13 -1.81 0.14 132.00 139.89 1yia h PRO 259 Ca -0.24 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.98 1yia h PRO 259 Cb 1.06 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 1yia h PRO 259 CO 1.22 0.07 0.51 0.28 -0.23 0.00 0.00 178.00 179.84 1yia h VAL 260 N 0.11 0.95 0.00 1.56 2.07 -1.91 0.44 116.25 119.46 1yia h VAL 260 Ca 0.50 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.70 1yia h VAL 260 Cb 1.78 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1yia h VAL 260 CO -0.07 0.13 -0.79 -0.26 0.02 0.00 0.00 177.57 176.59 1yia h PHE 261 N 0.70 0.00 -0.07 1.57 -1.00 -1.02 -2.95 116.94 114.17 1yia h PHE 261 Ca 0.36 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.96 1yia h PHE 261 Cb 0.45 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1yia h PHE 261 CO -0.00 0.28 -0.73 1.15 -1.61 0.00 0.00 178.31 177.40 1yia h THR 262 N 0.00 1.39 -0.51 -1.55 2.02 -0.79 -2.47 112.91 110.99 1yia h THR 262 Ca -0.05 -2.18 -0.10 0.00 0.77 0.00 0.00 66.41 64.85 1yia h THR 262 Cb 1.26 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 69.79 1yia h THR 262 CO 0.03 0.65 -0.09 -0.26 0.37 0.00 0.00 175.52 176.22 1yia h PHE 263 N 0.24 1.05 -0.41 3.16 0.05 -0.26 -2.92 116.94 117.85 1yia h PHE 263 Ca -0.03 -0.20 -0.05 0.00 3.82 0.00 0.00 57.97 61.51 1yia h PHE 263 Cb 1.30 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 38.97 1yia h PHE 263 CO 0.04 0.98 0.05 -0.07 -0.18 0.00 0.00 178.31 179.13 1yia h LEU 264 N 0.85 0.59 -1.24 1.54 3.38 -1.31 -1.93 115.31 117.20 1yia h LEU 264 Ca 0.14 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1yia h LEU 264 Cb 0.63 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1yia h LEU 264 CO 0.04 0.63 -0.31 0.44 0.09 0.00 0.00 178.44 179.34 1yia h ASP 265 N 0.61 0.00 0.49 -0.43 3.32 -1.26 -0.53 116.42 118.62 1yia h ASP 265 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1yia h ASP 265 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1yia h ASP 265 CO 0.01 0.31 -0.60 0.00 -1.72 0.00 0.00 179.24 177.23 1yia n ALA 266 N -2.32 3.57 0.00 3.45 0.00 -0.77 -4.58 120.51 119.85 1yia n ALA 266 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1yia n ALA 266 Cb 0.42 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1yia n ALA 266 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1yia n PHE 267 N -1.61 0.00 -2.14 0.00 3.72 -0.94 -4.96 117.46 111.53 1yia n PHE 267 Ca 0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 1yia n PHE 267 Cb 0.36 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1yia n PHE 267 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1yia s ASP 268 N -0.50 6.54 0.28 4.37 3.68 -0.22 -4.91 116.67 125.92 1yia s ASP 268 Ca 0.00 1.77 -0.00 0.00 2.13 0.00 0.00 52.55 56.45 1yia s ASP 268 Cb 0.00 -2.53 0.49 0.00 -1.45 0.00 0.00 42.92 39.43 1yia s ASP 268 CO 0.00 -1.10 1.89 1.55 0.13 0.00 0.00 175.17 177.63 1yia h PRO 269 N 10.04 1.05 -4.62 4.34 0.13 -1.95 -3.39 132.00 137.60 1yia h PRO 269 Ca -0.34 -0.06 -0.68 0.00 -0.87 0.00 0.00 66.00 64.05 1yia h PRO 269 Cb 1.15 -0.24 -0.35 0.00 0.13 0.00 0.00 31.00 31.69 1yia h PRO 269 CO 0.99 0.69 -0.64 0.16 -0.23 0.00 0.00 178.00 178.98 1yia s ASP 270 N -5.91 5.03 0.29 1.44 3.84 -1.26 -4.95 116.67 115.15 1yia s ASP 270 Ca -0.12 -1.79 0.17 0.00 -0.00 0.00 0.00 52.55 50.80 1yia s ASP 270 Cb 0.20 -1.75 0.90 0.00 -1.38 0.00 0.00 42.92 40.90 1yia s ASP 270 CO 0.81 -0.41 1.46 -0.81 -0.00 0.00 0.00 175.17 176.22 1yia n PRO 271 N 4.54 0.11 -0.11 2.11 -0.04 -1.26 -1.04 135.00 139.30 1yia n PRO 271 Ca -0.05 0.59 -0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1yia n PRO 271 Cb 0.42 -1.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 1yia n PRO 271 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yia h ALA 272 N 1.70 0.47 -0.00 0.55 0.00 -1.96 0.34 119.26 120.35 1yia h ALA 272 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1yia h ALA 272 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yia h ALA 272 CO 0.00 0.38 -0.00 -0.09 0.00 0.00 0.00 179.25 179.54 1yia h ARG 273 N 0.47 0.01 -0.19 0.00 2.43 -1.52 -2.08 114.38 113.50 1yia h ARG 273 Ca 0.07 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1yia h ARG 273 Cb 0.70 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 1yia h ARG 273 CO 0.05 0.46 -0.45 0.28 -1.51 0.00 0.00 179.97 178.79 1yia h VAL 274 N -0.44 0.00 -0.67 0.20 2.07 -1.43 0.51 116.25 116.49 1yia h VAL 274 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1yia h VAL 274 Cb 0.45 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1yia h VAL 274 CO 0.00 0.00 0.45 -0.61 0.02 0.00 0.00 177.57 177.43 1yia h GLN 275 N -0.43 0.38 -0.20 1.57 5.75 -0.36 0.90 115.11 122.72 1yia h GLN 275 Ca 0.04 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 1yia h GLN 275 Cb 0.54 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 1yia h GLN 275 CO -0.41 0.25 -0.22 0.00 -2.65 0.00 0.00 178.83 175.80 1yia h ALA 276 N 1.67 0.30 -0.23 3.38 0.00 -0.41 -2.00 119.26 121.97 1yia h ALA 276 Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yia h ALA 276 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1yia h ALA 276 CO -0.09 0.25 0.15 -0.07 0.00 0.00 0.00 179.25 179.49 1yia h LEU 277 N 0.18 0.27 -0.56 0.00 -0.00 0.12 -2.46 115.31 112.86 1yia h LEU 277 Ca 0.03 -0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.99 1yia h LEU 277 Cb 0.77 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 41.29 1yia h LEU 277 CO 0.05 0.19 0.17 0.11 -0.00 0.00 0.00 178.44 178.97 1yia h LYS 278 N 0.31 0.32 0.00 1.13 1.57 -0.78 -1.87 116.57 117.25 1yia h LYS 278 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1yia h LYS 278 Cb -0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1yia h LYS 278 CO -0.02 0.21 0.00 -0.25 -0.57 0.00 0.00 179.45 178.82 1yia n ASP 279 N -5.05 0.00 0.24 0.86 10.43 -0.76 -2.04 116.55 120.23 1yia n ASP 279 Ca 0.07 0.78 0.07 0.00 2.57 0.00 0.00 54.79 58.29 1yia n ASP 279 Cb 0.27 -0.28 0.38 0.00 1.84 0.00 0.00 41.12 43.33 1yia n ASP 279 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 1yia h GLN 280 N 0.00 0.00 0.16 -1.24 4.20 -1.41 0.12 115.11 116.94 1yia h GLN 280 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1yia h GLN 280 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1yia h GLN 280 CO 0.00 0.00 -1.49 -0.92 -0.67 0.00 0.00 178.83 175.75 1yia h TYR 281 N 0.00 0.60 0.00 2.96 3.20 -0.74 -2.95 116.97 120.04 1yia h TYR 281 Ca 0.00 -0.44 -0.09 0.00 3.14 0.00 0.00 58.73 61.34 1yia h TYR 281 Cb 0.96 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1yia h TYR 281 CO 0.00 1.58 -0.45 0.00 -1.64 0.00 0.00 178.16 177.65 1yia h ARG 282 N -0.13 0.00 0.00 1.82 3.08 -0.22 -2.37 114.38 116.56 1yia h ARG 282 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1yia h ARG 282 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1yia h ARG 282 CO 0.13 0.45 0.00 0.00 -1.07 0.00 0.00 179.97 179.47 1yia n ALA 283 N -2.42 -0.27 0.00 0.04 0.00 -0.65 -4.34 120.51 112.86 1yia n ALA 283 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1yia n ALA 283 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1yia n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yia n GLY 284 N -0.62 4.28 0.20 0.00 0.00 -1.11 -4.38 105.19 103.57 1yia n GLY 284 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1yia n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yia n GLY 285 N -1.68 1.53 3.34 -0.02 0.00 0.19 -4.90 105.19 103.65 1yia n GLY 285 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1yia n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yia s LEU 286 N 0.00 6.17 0.94 0.99 1.98 -1.18 -4.62 118.68 122.97 1yia s LEU 286 Ca 0.00 -2.06 -0.12 0.00 -2.89 0.00 0.00 54.13 49.06 1yia s LEU 286 Cb 0.00 -2.24 0.16 0.00 0.66 0.00 0.00 46.19 44.77 1yia s LEU 286 CO 0.00 -0.82 1.11 -0.83 -1.89 0.00 0.00 176.35 173.92 1yia s GLY 287 N 3.10 1.58 0.45 7.98 0.00 -1.26 -4.79 107.32 114.38 1yia s GLY 287 Ca 0.12 -0.38 0.22 0.00 0.00 0.00 0.00 44.72 44.68 1yia s GLY 287 CO -0.01 0.19 1.92 -0.55 0.00 0.00 0.00 173.10 174.64 1yia h ASP 288 N -1.66 0.00 -0.13 1.64 3.32 -1.94 -3.01 116.42 114.65 1yia h ASP 288 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1yia h ASP 288 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1yia h ASP 288 CO 0.59 0.23 0.08 0.58 -1.72 0.00 0.00 179.24 179.01 1yia h VAL 289 N 0.00 1.04 -0.25 -1.35 2.07 -1.98 0.28 116.25 116.07 1yia h VAL 289 Ca -0.00 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1yia h VAL 289 Cb 0.57 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1yia h VAL 289 CO 0.03 0.04 -0.27 0.11 0.02 0.00 0.00 177.57 177.50 1yia h LYS 290 N 0.17 0.48 0.16 1.57 1.79 -1.90 -0.05 116.57 118.79 1yia h LYS 290 Ca 0.05 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1yia h LYS 290 Cb -0.01 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1yia h LYS 290 CO -0.01 0.71 -0.08 0.28 -1.08 0.00 0.00 179.45 179.28 1yia h VAL 291 N 0.42 0.95 -0.66 0.50 2.07 -1.41 -2.97 116.25 115.15 1yia h VAL 291 Ca 0.06 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1yia h VAL 291 Cb 0.70 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1yia h VAL 291 CO 0.05 0.21 0.44 0.11 0.02 0.00 0.00 177.57 178.41 1yia h LYS 292 N -0.74 0.85 -0.19 1.57 1.57 -0.39 0.13 116.57 119.37 1yia h LYS 292 Ca -0.02 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1yia h LYS 292 Cb 0.52 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1yia h LYS 292 CO 0.04 0.57 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.16 1yia h LYS 293 N 0.88 0.30 0.00 3.15 1.63 -1.05 -0.78 116.57 120.70 1yia h LYS 293 Ca 0.25 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.93 1yia h LYS 293 Cb -0.08 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1yia h LYS 293 CO -0.06 0.42 -0.24 1.25 -3.45 0.00 0.00 179.45 177.36 1yia h HIS 294 N 0.29 0.00 -0.03 1.91 2.76 -0.60 -2.85 115.15 116.63 1yia h HIS 294 Ca 0.06 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1yia h HIS 294 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1yia h HIS 294 CO 0.01 0.24 -0.20 1.25 -1.30 0.00 0.00 177.93 177.93 1yia h LEU 295 N 0.00 0.22 -0.82 0.26 6.46 -0.37 -2.71 115.31 118.35 1yia h LEU 295 Ca -0.00 -0.70 0.19 0.00 -0.12 0.00 0.00 57.88 57.25 1yia h LEU 295 Cb 0.98 -0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.73 1yia h LEU 295 CO 0.03 0.88 0.26 0.40 -0.62 0.00 0.00 178.44 179.40 1yia h ILE 296 N -0.43 0.47 -0.31 4.05 2.04 -1.12 0.88 117.51 123.08 1yia h ILE 296 Ca -0.02 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1yia h ILE 296 Cb 0.89 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1yia h ILE 296 CO 0.04 0.06 -0.16 0.44 0.00 0.00 0.00 178.15 178.52 1yia h ASP 297 N 0.31 0.55 0.34 1.72 3.45 -1.41 0.00 116.42 121.38 1yia h ASP 297 Ca 0.49 -0.16 -0.27 0.00 0.43 0.00 0.00 57.03 57.51 1yia h ASP 297 Cb 0.90 -0.15 0.02 0.00 -0.56 0.00 0.00 39.33 39.53 1yia h ASP 297 CO -0.54 0.73 -1.18 1.62 -1.57 0.00 0.00 179.24 178.30 1yia h VAL 298 N 0.51 1.38 -0.43 -1.35 3.04 -0.55 -2.82 116.25 116.03 1yia h VAL 298 Ca 0.09 -2.65 -0.14 0.00 -1.01 0.00 0.00 66.70 62.99 1yia h VAL 298 Cb 0.58 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.56 1yia h VAL 298 CO 0.04 0.79 -0.28 -0.07 -1.01 0.00 0.00 177.57 177.04 1yia h LEU 299 N 0.20 0.96 -1.77 3.16 3.38 0.91 -2.32 115.31 119.82 1yia h LEU 299 Ca -0.15 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1yia h LEU 299 Cb 1.86 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1yia h LEU 299 CO 0.21 1.17 -0.16 0.78 0.09 0.00 0.00 178.44 180.53 1yia h ASN 300 N 0.78 0.00 0.19 -0.43 4.21 -1.05 0.31 115.58 119.59 1yia h ASN 300 Ca 0.09 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.37 1yia h ASN 300 Cb 0.85 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.06 1yia h ASN 300 CO 0.07 0.16 -0.94 1.23 -1.29 0.00 0.00 177.43 176.67 1yia h GLY 301 N 0.81 0.59 0.99 2.83 0.00 -1.21 0.24 103.07 107.33 1yia h GLY 301 Ca -0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 47.33 46.14 1yia h GLY 301 CO 0.02 0.88 -0.74 -2.08 0.00 0.00 0.00 176.54 174.62 1yia h VAL 302 N 0.31 1.35 0.11 4.60 2.07 -0.86 -3.37 116.25 120.46 1yia h VAL 302 Ca -0.09 -2.05 -0.28 0.00 0.82 0.00 0.00 66.70 65.10 1yia h VAL 302 Cb 1.57 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1yia h VAL 302 CO 0.17 0.62 -1.33 -0.07 0.02 0.00 0.00 177.57 176.99 1yia h LEU 303 N 0.19 0.38 -0.66 2.57 4.07 -0.45 -3.40 115.31 118.01 1yia h LEU 303 Ca -0.08 -0.44 0.08 0.00 0.08 0.00 0.00 57.88 57.52 1yia h LEU 303 Cb 1.40 -0.12 -0.11 0.00 1.08 0.00 0.00 40.66 42.91 1yia h LEU 303 CO 0.15 1.35 -0.51 0.00 -1.08 0.00 0.00 178.44 178.35 1yia h ALA 304 N 0.59 -0.49 -0.70 1.53 0.00 -1.11 0.79 119.26 119.87 1yia h ALA 304 Ca -0.16 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1yia h ALA 304 Cb 1.97 1.12 -0.04 0.00 0.00 0.00 0.00 17.79 20.84 1yia h ALA 304 CO 0.18 -0.92 0.46 -1.00 0.00 0.00 0.00 179.25 177.97 1yia h PRO 305 N -0.21 0.68 0.00 0.00 0.13 -1.80 0.30 132.00 131.11 1yia h PRO 305 Ca 0.15 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.18 1yia h PRO 305 Cb 0.54 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1yia h PRO 305 CO -0.75 0.45 -0.30 0.82 -0.23 0.00 0.00 178.00 178.00 1yia h ILE 306 N 0.70 1.05 -0.09 -3.56 2.04 -1.19 -2.48 117.51 113.98 1yia h ILE 306 Ca 0.30 -1.09 -0.20 0.00 1.00 0.00 0.00 64.86 64.88 1yia h ILE 306 Cb 0.28 1.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1yia h ILE 306 CO -0.10 0.29 -0.72 0.03 0.00 0.00 0.00 178.15 177.66 1yia h ARG 307 N 0.00 0.65 -0.01 2.37 3.08 0.17 -2.44 114.38 118.20 1yia h ARG 307 Ca -0.00 -0.58 -0.00 0.00 0.07 0.00 0.00 59.98 59.47 1yia h ARG 307 Cb 0.59 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1yia h ARG 307 CO 0.04 1.19 0.01 1.79 -1.07 0.00 0.00 179.97 181.93 1yia h THR 308 N 0.31 1.09 -0.50 2.04 1.35 -1.17 -0.79 112.91 115.24 1yia h THR 308 Ca -0.06 -0.26 -0.06 0.00 -0.55 0.00 0.00 66.41 65.48 1yia h THR 308 Cb 1.37 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 69.00 1yia h THR 308 CO 0.15 0.07 0.07 0.03 -0.25 0.00 0.00 175.52 175.59 1yia h ARG 309 N -0.09 0.78 -0.01 4.72 3.08 -1.52 -0.75 114.38 120.60 1yia h ARG 309 Ca 0.00 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1yia h ARG 309 Cb 0.11 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1yia h ARG 309 CO -0.00 0.74 0.01 -0.09 -1.07 0.00 0.00 179.97 179.56 1yia h ARG 310 N 0.75 0.02 -0.67 0.04 2.43 -1.12 -0.71 114.38 115.11 1yia h ARG 310 Ca 0.16 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1yia h ARG 310 Cb 0.35 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1yia h ARG 310 CO 0.01 0.06 0.40 0.00 -1.51 0.00 0.00 179.97 178.93 1yia h ALA 311 N 0.96 0.85 0.04 2.80 0.00 -0.91 -2.35 119.26 120.65 1yia h ALA 311 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1yia h ALA 311 Cb 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1yia h ALA 311 CO -0.00 0.32 -0.34 1.49 0.00 0.00 0.00 179.25 180.73 1yia h GLU 312 N 0.91 -0.50 0.00 0.00 4.81 -0.82 -0.06 114.58 118.92 1yia h GLU 312 Ca 0.24 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1yia h GLU 312 Cb -0.03 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1yia h GLU 312 CO -0.05 -0.33 0.00 1.88 -0.73 0.00 0.00 179.01 179.78 1yia h TYR 313 N -0.51 0.00 -0.05 0.92 0.05 -0.99 -0.98 116.97 115.41 1yia h TYR 313 Ca 0.05 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.66 1yia h TYR 313 Cb 0.58 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 1yia h TYR 313 CO -0.34 0.00 -0.70 0.93 -1.05 0.00 0.00 178.16 177.00 1yia h GLU 314 N 0.00 0.23 0.00 4.88 5.08 -0.45 -2.93 114.58 121.39 1yia h GLU 314 Ca 0.00 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 1yia h GLU 314 Cb 0.08 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1yia h GLU 314 CO 0.00 0.84 -0.46 0.00 -1.00 0.00 0.00 179.01 178.39 1yia h ARG 315 N 0.16 0.00 -2.16 2.33 2.47 -0.94 -3.34 114.38 112.90 1yia h ARG 315 Ca -0.02 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.03 1yia h ARG 315 Cb 1.25 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.21 1yia h ARG 315 CO 0.11 0.46 0.01 -3.47 0.56 0.00 0.00 179.97 177.64 1yia n ASP 316 N -3.46 5.67 -0.24 7.04 -0.08 -1.09 -4.88 116.55 119.50 1yia n ASP 316 Ca 0.00 -3.71 0.21 0.00 -1.51 0.00 0.00 54.79 49.78 1yia n ASP 316 Cb 0.60 -0.78 0.54 0.00 2.34 0.00 0.00 41.12 43.82 1yia n ASP 316 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1yia h PRO 317 N 3.32 0.34 -0.56 -0.67 0.13 -1.68 0.50 132.00 133.38 1yia h PRO 317 Ca 0.31 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.41 1yia h PRO 317 Cb 0.46 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 1yia h PRO 317 CO 0.99 0.23 0.32 -0.44 -0.23 0.00 0.00 178.00 178.86 1yia h ASP 318 N 0.35 0.68 -0.21 1.44 3.32 -1.89 -2.21 116.42 117.91 1yia h ASP 318 Ca 0.48 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.42 1yia h ASP 318 Cb 1.28 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1yia h ASP 318 CO -0.17 0.55 -0.06 0.00 -1.72 0.00 0.00 179.24 177.84 1yia h ALA 319 N 1.57 1.27 -0.25 3.45 0.00 -1.24 0.12 119.26 124.18 1yia h ALA 319 Ca 0.20 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1yia h ALA 319 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1yia h ALA 319 CO -0.03 0.48 -0.62 0.28 0.00 0.00 0.00 179.25 179.36 1yia h VAL 320 N 0.51 1.27 -0.71 0.00 2.07 -1.32 -2.48 116.25 115.59 1yia h VAL 320 Ca 0.10 -1.80 -0.06 0.00 0.82 0.00 0.00 66.70 65.76 1yia h VAL 320 Cb 0.43 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1yia h VAL 320 CO 0.02 0.58 0.21 0.25 0.02 0.00 0.00 177.57 178.65 1yia h LEU 321 N 0.64 1.04 -1.52 2.57 6.46 -0.91 -1.87 115.31 121.73 1yia h LEU 321 Ca -0.01 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.51 1yia h LEU 321 Cb 1.23 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1yia h LEU 321 CO 0.13 0.99 0.05 -0.09 -0.62 0.00 0.00 178.44 178.90 1yia h ARG 322 N 1.05 0.36 -0.34 1.25 2.43 -0.69 -1.30 114.38 117.14 1yia h ARG 322 Ca 0.23 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1yia h ARG 322 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1yia h ARG 322 CO -0.00 0.35 0.20 0.35 -1.51 0.00 0.00 179.97 179.36 1yia h PHE 323 N 0.36 0.38 0.18 2.20 -0.00 -0.87 -2.73 116.94 116.46 1yia h PHE 323 Ca 0.09 0.01 -0.34 0.00 -0.00 0.00 0.00 57.97 57.73 1yia h PHE 323 Cb 0.16 -0.12 0.01 0.00 -0.00 0.00 0.00 35.95 36.00 1yia h PHE 323 CO 0.00 0.22 -1.70 -0.39 -0.00 0.00 0.00 178.31 176.45 1yia h VAL 324 N 0.41 0.95 0.00 1.41 -1.51 -1.33 -3.02 116.25 113.15 1yia h VAL 324 Ca 0.14 -2.49 -0.02 0.00 -1.23 0.00 0.00 66.70 63.10 1yia h VAL 324 Cb 0.00 2.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1yia h VAL 324 CO -0.06 0.84 -0.08 0.71 -1.23 0.00 0.00 177.57 177.74 1yia h THR 325 N 0.04 0.33 0.05 7.19 1.35 -1.32 0.31 112.91 120.86 1yia h THR 325 Ca -0.34 -0.47 -0.35 0.00 -0.55 0.00 0.00 66.41 64.70 1yia h THR 325 Cb 2.04 1.35 -0.04 0.00 -1.73 0.00 0.00 68.15 69.77 1yia h THR 325 CO 0.16 0.08 -2.04 1.21 -0.25 0.00 0.00 175.52 174.68 1yia n GLU 326 N -3.39 0.69 -0.03 4.72 2.13 -1.03 -2.78 120.64 120.95 1yia n GLU 326 Ca -0.01 0.22 -0.11 0.00 0.66 0.00 0.00 57.16 57.91 1yia n GLU 326 Cb 0.24 -1.68 -0.05 0.00 0.27 0.00 0.00 31.44 30.21 1yia n GLU 326 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1yia h GLY 327 N 2.44 0.20 0.22 8.31 0.00 -1.38 -1.91 103.07 110.95 1yia h GLY 327 Ca -0.42 -0.10 0.10 0.00 0.00 0.00 0.00 47.33 46.91 1yia h GLY 327 CO 0.05 0.09 0.10 -0.84 0.00 0.00 0.00 176.54 175.94 1yia h THR 328 N 0.10 0.65 -0.34 4.70 2.02 -0.36 0.35 112.91 120.02 1yia h THR 328 Ca 0.05 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1yia h THR 328 Cb 0.11 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 1yia h THR 328 CO -0.01 0.04 0.04 0.00 0.37 0.00 0.00 175.52 175.97 1yia h ALA 329 N 1.45 0.34 0.36 6.16 0.00 -1.26 0.75 119.26 127.06 1yia h ALA 329 Ca 0.29 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1yia h ALA 329 Cb 0.42 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1yia h ALA 329 CO -0.39 -0.36 -0.17 -0.09 0.00 0.00 0.00 179.25 178.24 1yia h ARG 330 N 0.15 -0.46 -0.87 0.00 9.65 -0.54 -1.98 114.38 120.32 1yia h ARG 330 Ca 0.16 0.03 0.10 0.00 -1.10 0.00 0.00 59.98 59.18 1yia h ARG 330 Cb 0.20 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 28.81 1yia h ARG 330 CO -0.24 -0.28 0.51 0.78 2.80 0.00 0.00 179.97 183.54 1yia h GLY 331 N -0.53 1.37 0.83 2.80 0.00 0.37 -1.46 103.07 106.45 1yia h GLY 331 Ca -0.05 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 46.97 1yia h GLY 331 CO 0.08 0.13 0.07 -0.09 0.00 0.00 0.00 176.54 176.73 1yia h ARG 332 N 0.83 0.17 -0.76 4.80 1.12 0.81 -0.74 114.38 120.61 1yia h ARG 332 Ca 0.42 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.27 1yia h ARG 332 Cb 0.41 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.30 1yia h ARG 332 CO -0.26 0.11 0.41 1.49 -3.11 0.00 0.00 179.97 178.61 1yia h GLU 333 N 0.17 1.05 0.28 0.20 4.81 -0.54 0.11 114.58 120.66 1yia h GLU 333 Ca 0.09 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1yia h GLU 333 Cb 0.06 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1yia h GLU 333 CO -0.10 0.77 -0.14 0.28 -0.73 0.00 0.00 179.01 179.10 1yia h VAL 334 N 1.06 0.75 -0.76 0.32 2.07 -0.68 -1.80 116.25 117.21 1yia h VAL 334 Ca 0.27 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1yia h VAL 334 Cb 0.03 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1yia h VAL 334 CO -0.04 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.14 1yia h ALA 335 N 0.01 1.69 -0.87 1.67 0.00 -0.98 -0.50 119.26 120.28 1yia h ALA 335 Ca -0.04 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yia h ALA 335 Cb 0.45 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1yia h ALA 335 CO 0.06 0.19 0.57 0.00 0.00 0.00 0.00 179.25 180.07 1yia h ALA 336 N 1.59 1.44 -0.08 0.00 0.00 -0.32 -1.46 119.26 120.44 1yia h ALA 336 Ca 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1yia h ALA 336 Cb 0.27 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yia h ALA 336 CO -0.11 0.48 0.01 1.96 0.00 0.00 0.00 179.25 181.59 1yia h GLN 337 N 1.10 0.13 -0.38 0.00 4.20 -0.25 -2.74 115.11 117.17 1yia h GLN 337 Ca 0.34 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.01 1yia h GLN 337 Cb -0.02 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1yia h GLN 337 CO -0.09 0.38 0.25 1.15 -0.67 0.00 0.00 178.83 179.84 1yia h THR 338 N -0.13 1.08 -0.36 -0.54 2.02 -1.01 -0.38 112.91 113.59 1yia h THR 338 Ca 0.02 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.09 1yia h THR 338 Cb 0.31 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1yia h THR 338 CO 0.00 0.09 0.25 -0.07 0.37 0.00 0.00 175.52 176.16 1yia h LEU 339 N 0.50 0.20 -0.18 2.58 -0.00 -1.30 0.15 115.31 117.26 1yia h LEU 339 Ca 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 58.04 1yia h LEU 339 Cb -0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.55 1yia h LEU 339 CO -0.04 0.13 0.06 1.23 -0.00 0.00 0.00 178.44 179.82 1yia h GLY 340 N 0.22 0.22 1.90 0.83 0.00 -0.75 0.61 103.07 106.09 1yia h GLY 340 Ca 0.16 -0.03 -0.17 0.00 0.00 0.00 0.00 47.33 47.29 1yia h GLY 340 CO -0.03 0.02 -0.76 1.46 0.00 0.00 0.00 176.54 177.23 1yia h GLN 341 N 0.14 0.10 0.23 4.80 4.20 -1.00 -2.58 115.11 121.01 1yia h GLN 341 Ca 0.08 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1yia h GLN 341 Cb 0.05 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1yia h GLN 341 CO -0.09 0.81 -0.11 0.28 -0.67 0.00 0.00 178.83 179.05 1yia h VAL 342 N 0.06 0.83 -0.49 -0.54 2.07 -0.06 0.85 116.25 118.96 1yia h VAL 342 Ca -0.02 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.25 1yia h VAL 342 Cb 1.34 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 1yia h VAL 342 CO 0.11 0.08 0.08 0.03 0.02 0.00 0.00 177.57 177.88 1yia h ARG 343 N -0.48 0.20 -0.43 1.57 3.08 0.21 0.76 114.38 119.28 1yia h ARG 343 Ca -0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1yia h ARG 343 Cb 0.36 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1yia h ARG 343 CO 0.05 0.14 0.21 -0.09 -1.07 0.00 0.00 179.97 179.20 1yia h ARG 344 N 0.21 0.63 -0.46 0.04 2.43 -1.38 -2.25 114.38 113.60 1yia h ARG 344 Ca 0.25 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1yia h ARG 344 Cb 0.34 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1yia h ARG 344 CO -0.34 0.54 0.16 0.00 -1.51 0.00 0.00 179.97 178.83 1yia h ALA 345 N 1.05 1.42 0.00 2.80 0.00 0.17 -2.06 119.26 122.64 1yia h ALA 345 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yia h ALA 345 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1yia h ALA 345 CO -0.02 0.44 0.00 -1.33 0.00 0.00 0.00 179.25 178.34 1yia n MET 346 N -4.34 0.07 -2.22 0.00 2.81 0.16 -4.40 117.12 109.21 1yia n MET 346 Ca 0.03 0.04 -0.10 0.00 -1.81 0.00 0.00 57.70 55.86 1yia n MET 346 Cb 0.17 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1yia n MET 346 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1yia n ARG 347 N -1.46 -0.92 -1.93 0.03 5.12 -0.78 -4.95 116.66 111.77 1yia n ARG 347 Ca 0.08 0.47 -0.41 0.00 -1.93 0.00 0.00 57.85 56.05 1yia n ARG 347 Cb 0.30 -4.49 -0.02 0.00 -1.16 0.00 0.00 32.46 27.08 1yia n ARG 347 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1yia s LEU 348 N -2.85 4.37 -0.24 0.55 1.43 -0.88 -4.84 118.68 116.22 1yia s LEU 348 Ca 0.01 2.76 -0.43 0.00 -1.03 0.00 0.00 54.13 55.44 1yia s LEU 348 Cb -0.01 -3.63 -0.19 0.00 0.03 0.00 0.00 46.19 42.40 1yia s LEU 348 CO 0.02 -0.78 1.41 0.33 0.23 0.00 0.00 176.35 177.56 1yia n PHE 349 N 2.38 1.39 -0.32 0.29 -0.00 -1.26 -0.97 117.46 118.96 1yia n PHE 349 Ca 0.08 0.99 0.00 0.00 -0.00 0.00 0.00 57.45 58.52 1yia n PHE 349 Cb 0.39 -2.22 0.00 0.00 -0.00 0.00 0.00 39.48 37.65 1yia n PHE 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yia n GLY 350 N 3.03 0.79 0.00 7.13 0.00 -1.26 -5.15 105.19 109.72 1yia n GLY 350 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1yia n GLY 350 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74