#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a69 s THR 2 N 0.00 2.04 0.62 0.00 -4.23 -0.20 -5.00 115.64 108.86 1a69 s THR 2 Ca 0.00 -1.87 0.43 0.00 -1.18 0.00 0.00 61.69 59.07 1a69 s THR 2 Cb 0.00 -2.90 0.44 0.00 1.34 0.00 0.00 72.50 71.38 1a69 s THR 2 CO 0.00 0.00 2.34 -0.65 -0.54 0.00 0.00 174.62 175.77 1a69 h PRO 3 N 1.57 0.00 0.00 3.99 0.11 -2.02 -2.81 132.00 132.84 1a69 h PRO 3 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1a69 h PRO 3 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1a69 h PRO 3 CO 0.75 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.27 1a69 n HIS 4 N -3.14 0.00 -3.84 0.65 8.25 -1.26 -4.99 115.22 110.90 1a69 n HIS 4 Ca -0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 1a69 n HIS 4 Cb 0.09 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.03 1a69 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1a69 s ILE 5 N -0.23 0.75 -1.22 1.59 1.01 -1.06 -4.71 121.20 117.33 1a69 s ILE 5 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 1a69 s ILE 5 Cb 0.00 -0.90 0.20 0.00 0.01 0.00 0.00 42.46 41.76 1a69 s ILE 5 CO 0.00 0.22 2.05 -0.46 0.00 0.00 0.00 174.94 176.75 1a69 n ASN 6 N 5.02 7.06 -3.89 3.58 0.23 -1.26 -1.03 115.26 124.96 1a69 n ASN 6 Ca -0.10 -3.28 -0.17 0.00 -0.53 0.00 0.00 54.58 50.49 1a69 n ASN 6 Cb 0.49 -1.34 -0.09 0.00 -2.08 0.00 0.00 39.78 36.77 1a69 n ASN 6 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a69 s ALA 7 N -1.68 1.74 0.16 -2.53 0.00 -1.26 -4.64 121.76 113.55 1a69 s ALA 7 Ca 0.45 -1.82 0.06 0.00 0.00 0.00 0.00 51.96 50.65 1a69 s ALA 7 Cb 0.15 1.29 -0.04 0.00 0.00 0.00 0.00 23.12 24.51 1a69 s ALA 7 CO -0.05 -0.56 -0.13 -1.21 0.00 0.00 0.00 175.76 173.80 1a69 s GLU 8 N -3.81 1.15 -0.26 0.00 8.01 -1.26 -2.26 118.70 120.27 1a69 s GLU 8 Ca 0.38 -1.44 -0.36 0.00 0.01 0.00 0.00 54.97 53.55 1a69 s GLU 8 Cb 0.05 -0.89 -0.13 0.00 -4.31 0.00 0.00 34.13 28.85 1a69 s GLU 8 CO 0.19 0.15 1.98 -1.33 0.01 0.00 0.00 175.26 176.25 1a69 n MET 9 N -0.04 1.40 0.00 1.61 2.81 -1.26 -0.55 117.12 121.08 1a69 n MET 9 Ca -0.11 0.47 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1a69 n MET 9 Cb 0.59 -2.42 0.00 0.00 -0.71 0.00 0.00 33.22 30.69 1a69 n MET 9 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a69 n GLY 10 N 5.30 1.89 0.21 3.03 0.00 -1.26 -4.94 105.19 109.41 1a69 n GLY 10 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.41 1a69 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a69 h ASP 11 N 0.41 0.00 -3.18 1.61 3.32 -1.20 -3.43 116.42 113.95 1a69 h ASP 11 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1a69 h ASP 11 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1a69 h ASP 11 CO 0.00 0.31 -0.60 -0.36 -1.72 0.00 0.00 179.24 176.87 1a69 s PHE 12 N -3.87 3.21 0.87 4.55 0.08 -1.26 -4.74 117.98 116.82 1a69 s PHE 12 Ca -0.01 0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.03 1a69 s PHE 12 Cb 0.12 -1.66 0.14 0.00 -0.57 0.00 0.00 43.02 41.05 1a69 s PHE 12 CO 0.67 0.52 1.22 0.00 -0.10 0.00 0.00 175.22 177.53 1a69 s ALA 13 N -1.29 2.60 0.13 5.36 0.00 -1.26 -4.96 121.76 122.33 1a69 s ALA 13 Ca 0.26 -1.07 0.26 0.00 0.00 0.00 0.00 51.96 51.40 1a69 s ALA 13 Cb -0.12 -2.73 1.00 0.00 0.00 0.00 0.00 23.12 21.28 1a69 s ALA 13 CO 0.18 -2.00 1.86 0.38 0.00 0.00 0.00 175.76 176.17 1a69 h ASP 14 N -1.25 0.00 -4.04 0.00 2.03 -1.85 -3.42 116.42 107.89 1a69 h ASP 14 Ca -0.44 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.20 1a69 h ASP 14 Cb 1.27 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.46 1a69 h ASP 14 CO 0.48 0.18 -0.87 0.54 -1.03 0.00 0.00 179.24 178.54 1a69 s VAL 15 N -3.66 1.89 -0.04 4.15 0.11 -1.26 0.13 120.40 121.72 1a69 s VAL 15 Ca 0.01 -0.98 0.03 0.00 -2.93 0.00 0.00 61.98 58.11 1a69 s VAL 15 Cb 0.10 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 1a69 s VAL 15 CO 0.62 0.53 -0.14 -0.69 -3.33 0.00 0.00 175.10 172.09 1a69 s VAL 16 N -0.16 1.21 -0.12 2.04 1.01 0.18 -2.85 120.40 121.72 1a69 s VAL 16 Ca -0.02 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1a69 s VAL 16 Cb -0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1a69 s VAL 16 CO 0.03 0.36 0.44 -0.76 0.00 0.00 0.00 175.10 175.17 1a69 s LEU 17 N 0.20 4.28 -0.16 3.92 1.43 -0.34 -0.73 118.68 127.27 1a69 s LEU 17 Ca -0.06 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1a69 s LEU 17 Cb -0.12 -2.64 0.05 0.00 0.03 0.00 0.00 46.19 43.52 1a69 s LEU 17 CO 0.02 0.03 0.01 -0.04 0.23 0.00 0.00 176.35 176.60 1a69 s MET 18 N 0.53 0.80 0.32 1.70 -1.94 0.45 -1.28 119.30 119.89 1a69 s MET 18 Ca 0.24 -0.34 0.05 0.00 -1.71 0.00 0.00 55.69 53.94 1a69 s MET 18 Cb -0.15 -1.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.82 1a69 s MET 18 CO 0.09 -0.53 0.47 -1.25 -0.01 0.00 0.00 175.02 173.79 1a69 s PRO 19 N 1.83 3.20 0.15 2.03 0.04 -1.22 -1.21 135.00 139.82 1a69 s PRO 19 Ca 0.01 -0.89 0.02 0.00 0.04 0.00 0.00 61.00 60.18 1a69 s PRO 19 Cb -0.16 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.51 1a69 s PRO 19 CO -0.07 0.12 1.34 0.78 0.04 0.00 0.00 177.00 179.20 1a69 h GLY 20 N 0.90 0.20 -6.28 0.56 0.00 -1.84 -0.86 103.07 95.76 1a69 h GLY 20 Ca -0.47 -0.38 -0.60 0.00 0.00 0.00 0.00 47.33 45.87 1a69 h GLY 20 CO 0.55 0.34 0.17 -0.35 0.00 0.00 0.00 176.54 177.25 1a69 s ASP 21 N -6.93 6.62 0.47 0.19 -1.08 -1.26 -2.41 116.67 112.27 1a69 s ASP 21 Ca -0.02 0.76 0.16 0.00 -0.52 0.00 0.00 52.55 52.93 1a69 s ASP 21 Cb 0.10 -2.35 1.10 0.00 -1.46 0.00 0.00 42.92 40.31 1a69 s ASP 21 CO 0.83 -0.36 2.03 1.55 0.52 0.00 0.00 175.17 179.75 1a69 h PRO 22 N 7.77 0.00 0.00 4.34 0.13 -1.88 -0.98 132.00 141.38 1a69 h PRO 22 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 1a69 h PRO 22 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1a69 h PRO 22 CO 0.78 0.14 -0.35 -0.07 -0.23 0.00 0.00 178.00 178.27 1a69 h LEU 23 N 0.00 0.00 -0.37 1.56 4.07 -1.92 -2.36 115.31 116.29 1a69 h LEU 23 Ca -0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 1a69 h LEU 23 Cb 0.26 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1a69 h LEU 23 CO 0.02 0.35 -0.68 -0.09 -1.08 0.00 0.00 178.44 176.96 1a69 h ARG 24 N 0.00 0.00 -0.19 1.13 2.43 -1.38 -2.31 114.38 114.06 1a69 h ARG 24 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1a69 h ARG 24 Cb 0.67 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1a69 h ARG 24 CO 0.05 0.68 -0.58 0.00 -1.51 0.00 0.00 179.97 178.60 1a69 h ALA 25 N 1.32 0.63 -0.41 2.80 0.00 -1.15 -0.51 119.26 121.95 1a69 h ALA 25 Ca -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1a69 h ALA 25 Cb 1.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1a69 h ALA 25 CO 0.09 0.70 0.11 -0.22 0.00 0.00 0.00 179.25 179.92 1a69 h LYS 26 N 0.45 0.64 -0.22 0.00 3.64 -1.35 -0.61 116.57 119.12 1a69 h LYS 26 Ca 0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1a69 h LYS 26 Cb 1.15 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1a69 h LYS 26 CO 0.11 0.66 0.13 -0.92 -2.27 0.00 0.00 179.45 177.16 1a69 h TYR 27 N 0.51 0.30 -0.18 1.91 3.20 -1.24 -1.02 116.97 120.46 1a69 h TYR 27 Ca 0.13 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1a69 h TYR 27 Cb 0.30 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1a69 h TYR 27 CO 0.02 0.25 0.04 0.82 -1.64 0.00 0.00 178.16 177.65 1a69 h ILE 28 N 0.27 0.93 -0.88 1.81 2.04 -0.87 -0.12 117.51 120.68 1a69 h ILE 28 Ca 0.08 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1a69 h ILE 28 Cb 0.04 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1a69 h ILE 28 CO -0.01 0.02 0.58 0.00 0.00 0.00 0.00 178.15 178.74 1a69 h ALA 29 N 1.13 1.14 0.00 1.87 0.00 -0.91 0.24 119.26 122.72 1a69 h ALA 29 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1a69 h ALA 29 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1a69 h ALA 29 CO -0.10 0.48 -0.43 0.93 0.00 0.00 0.00 179.25 180.13 1a69 h GLU 30 N 1.16 0.00 0.00 0.00 5.08 -0.96 -2.97 114.58 116.89 1a69 h GLU 30 Ca 0.34 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.35 1a69 h GLU 30 Cb -0.08 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 1a69 h GLU 30 CO -0.09 0.24 -2.35 2.41 -1.00 0.00 0.00 179.01 178.22 1a69 n THR 31 N -3.10 1.29 -0.03 1.13 -1.04 -0.08 -4.73 114.28 107.73 1a69 n THR 31 Ca 0.02 -0.83 -0.01 0.00 -2.04 0.00 0.00 64.05 61.18 1a69 n THR 31 Cb 0.65 -0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 68.65 1a69 n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1a69 n PHE 32 N -2.71 0.00 -2.95 -1.42 3.72 0.83 -5.05 117.46 109.88 1a69 n PHE 32 Ca -0.31 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.84 1a69 n PHE 32 Cb 1.12 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 1a69 n PHE 32 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1a69 s LEU 33 N -4.27 3.70 -0.11 4.37 1.43 -1.12 -4.80 118.68 117.88 1a69 s LEU 33 Ca -0.04 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1a69 s LEU 33 Cb 0.03 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 1a69 s LEU 33 CO 0.33 -0.60 -0.14 -1.61 0.23 0.00 0.00 176.35 174.56 1a69 s GLU 34 N -4.58 3.17 -1.37 1.70 0.41 0.03 -4.66 118.70 113.39 1a69 s GLU 34 Ca 0.46 -0.71 -0.04 0.00 -0.41 0.00 0.00 54.97 54.28 1a69 s GLU 34 Cb -0.10 -2.55 0.02 0.00 -1.78 0.00 0.00 34.13 29.73 1a69 s GLU 34 CO 0.40 0.29 0.76 -0.25 -0.49 0.00 0.00 175.26 175.98 1a69 n ASP 35 N 3.27 -2.10 -4.76 -0.19 8.00 -1.26 -2.12 116.55 117.39 1a69 n ASP 35 Ca -0.18 -0.82 -0.39 0.00 0.71 0.00 0.00 54.79 54.11 1a69 n ASP 35 Cb 0.53 -3.97 -0.06 0.00 -0.02 0.00 0.00 41.12 37.60 1a69 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a69 s ALA 36 N -3.59 3.29 -0.02 2.24 0.00 -1.26 -4.61 121.76 117.81 1a69 s ALA 36 Ca 0.18 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.84 1a69 s ALA 36 Cb -0.09 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1a69 s ALA 36 CO 0.82 0.08 -0.12 -0.98 0.00 0.00 0.00 175.76 175.55 1a69 s ARG 37 N -1.61 1.16 -0.09 0.00 1.70 -0.43 -4.93 118.95 114.75 1a69 s ARG 37 Ca 0.46 -0.44 -0.29 0.00 -0.47 0.00 0.00 55.73 54.99 1a69 s ARG 37 Cb -0.25 -1.08 -0.05 0.00 -0.57 0.00 0.00 34.95 33.00 1a69 s ARG 37 CO 0.31 0.21 1.67 -2.00 -1.08 0.00 0.00 175.30 174.42 1a69 s GLU 38 N -0.06 4.08 0.00 3.89 2.12 -1.26 -1.38 118.70 126.08 1a69 s GLU 38 Ca 0.00 2.10 0.14 0.00 0.36 0.00 0.00 54.97 57.57 1a69 s GLU 38 Cb -0.08 -4.01 -0.07 0.00 0.26 0.00 0.00 34.13 30.23 1a69 s GLU 38 CO 0.00 -0.97 0.69 1.33 -0.54 0.00 0.00 175.26 175.77 1a69 n VAL 39 N 5.72 0.00 -3.60 3.70 0.24 0.25 -4.96 118.33 119.68 1a69 n VAL 39 Ca 0.18 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 62.06 1a69 n VAL 39 Cb 0.43 1.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 1a69 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1a69 s ASN 40 N -1.98 -0.71 0.00 -1.34 3.84 -1.06 -4.16 114.94 109.54 1a69 s ASN 40 Ca 0.09 1.23 0.00 0.00 0.21 0.00 0.00 52.86 54.39 1a69 s ASN 40 Cb 0.11 1.20 0.00 0.00 -0.55 0.00 0.00 41.25 42.01 1a69 s ASN 40 CO 0.45 -0.34 0.00 -0.46 -2.79 0.00 0.00 177.10 173.96 1a69 n ASN 41 N 2.20 0.00 -4.64 -4.21 2.04 -1.26 -2.00 115.26 107.40 1a69 n ASN 41 Ca -0.15 -0.78 -0.46 0.00 -0.44 0.00 0.00 54.58 52.75 1a69 n ASN 41 Cb 0.56 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.78 1a69 n ASN 41 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1a69 n VAL 42 N 0.00 1.18 -0.90 3.53 0.31 -1.26 -0.05 118.33 121.15 1a69 n VAL 42 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1a69 n VAL 42 Cb 0.19 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1a69 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1a69 n ARG 43 N 1.62 -1.68 -0.91 5.55 1.74 -1.26 -1.08 116.66 120.66 1a69 n ARG 43 Ca 0.12 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1a69 n ARG 43 Cb 0.30 -4.85 0.00 0.00 -1.02 0.00 0.00 32.46 26.89 1a69 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a69 n GLY 44 N 0.50 0.72 3.34 -0.13 0.00 0.93 -4.94 105.19 105.61 1a69 n GLY 44 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1a69 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a69 n MET 45 N -2.53 3.14 -1.62 1.61 0.00 -0.24 -4.84 117.12 112.64 1a69 n MET 45 Ca 0.00 -3.16 -0.48 0.00 0.00 0.00 0.00 57.70 54.06 1a69 n MET 45 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 33.22 29.79 1a69 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1a69 n LEU 46 N 7.47 2.25 -3.85 -0.89 4.77 -1.26 -4.33 117.00 121.16 1a69 n LEU 46 Ca 0.49 1.13 -0.18 0.00 -0.03 0.00 0.00 56.01 57.41 1a69 n LEU 46 Cb 0.44 -1.30 -0.16 0.00 -2.33 0.00 0.00 43.42 40.06 1a69 n LEU 46 CO 0.79 -0.86 -0.39 -0.83 -1.33 0.00 0.00 177.39 174.78 1a69 s GLY 47 N 0.32 0.31 0.18 -0.72 0.00 -0.85 -2.36 107.32 104.20 1a69 s GLY 47 Ca 0.75 0.08 0.06 0.00 0.00 0.00 0.00 44.72 45.61 1a69 s GLY 47 CO 0.48 0.51 -0.11 -1.36 0.00 0.00 0.00 173.10 172.62 1a69 s PHE 48 N 0.94 1.48 -0.09 1.90 0.40 0.21 0.86 117.98 123.68 1a69 s PHE 48 Ca -0.11 -0.69 -0.02 0.00 -0.60 0.00 0.00 56.93 55.52 1a69 s PHE 48 Cb -0.14 -0.73 0.04 0.00 0.51 0.00 0.00 43.02 42.70 1a69 s PHE 48 CO -0.01 0.20 0.04 0.99 0.70 0.00 0.00 175.22 177.14 1a69 s THR 49 N -3.17 0.12 0.00 0.64 2.01 -0.48 -0.52 115.64 114.23 1a69 s THR 49 Ca 0.20 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1a69 s THR 49 Cb 0.01 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1a69 s THR 49 CO 0.04 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1a69 n GLY 50 N 5.22 5.42 3.01 4.40 0.00 0.11 -1.32 105.19 122.03 1a69 n GLY 50 Ca -0.06 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 1a69 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a69 s THR 51 N 0.43 0.56 -0.21 2.61 2.01 -0.90 -1.24 115.64 118.90 1a69 s THR 51 Ca 0.00 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1a69 s THR 51 Cb 0.00 -0.51 0.06 0.00 0.01 0.00 0.00 72.50 72.06 1a69 s THR 51 CO 0.00 0.03 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.47 1a69 s TYR 52 N -0.44 1.81 -1.55 4.92 5.04 0.32 -0.79 117.35 126.64 1a69 s TYR 52 Ca 0.00 -1.34 -0.14 0.00 -2.44 0.00 0.00 57.07 53.15 1a69 s TYR 52 Cb -0.04 -1.34 0.09 0.00 0.35 0.00 0.00 41.96 41.02 1a69 s TYR 52 CO -0.00 -0.69 0.95 1.63 -1.34 0.00 0.00 175.55 176.10 1a69 n LYS 53 N 4.84 -5.22 0.00 4.97 5.02 -1.26 -0.16 118.16 126.34 1a69 n LYS 53 Ca -0.11 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1a69 n LYS 53 Cb 0.46 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 1a69 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a69 n GLY 54 N -1.66 2.49 3.70 0.72 0.00 -1.26 -5.02 105.19 104.15 1a69 n GLY 54 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1a69 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a69 s ARG 55 N -0.41 4.36 -0.01 1.61 3.00 0.77 -5.03 118.95 123.23 1a69 s ARG 55 Ca 0.00 0.82 -0.30 0.00 -1.00 0.00 0.00 55.73 55.25 1a69 s ARG 55 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 34.95 31.40 1a69 s ARG 55 CO 0.00 -0.07 1.33 0.21 0.00 0.00 0.00 175.30 176.76 1a69 s LYS 56 N 1.29 4.31 -0.01 5.12 2.20 -1.26 0.12 119.74 131.52 1a69 s LYS 56 Ca 0.35 1.87 -0.11 0.00 -0.36 0.00 0.00 55.97 57.72 1a69 s LYS 56 Cb -0.17 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1a69 s LYS 56 CO 0.15 -0.51 0.21 0.42 -0.36 0.00 0.00 175.35 175.26 1a69 s ILE 57 N 2.22 0.07 0.27 5.43 1.01 -0.37 -4.71 121.20 125.11 1a69 s ILE 57 Ca 0.61 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.77 1a69 s ILE 57 Cb -0.29 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 1a69 s ILE 57 CO 0.25 -0.32 -0.08 -0.44 0.00 0.00 0.00 174.94 174.35 1a69 s SER 58 N -1.35 4.18 -0.05 3.58 0.01 -1.13 -0.71 113.70 118.23 1a69 s SER 58 Ca -0.14 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.31 1a69 s SER 58 Cb -0.07 -0.64 0.04 0.00 0.21 0.00 0.00 66.02 65.56 1a69 s SER 58 CO 0.03 0.02 0.12 -0.69 0.41 0.00 0.00 173.24 173.12 1a69 s VAL 59 N -2.38 -0.06 -0.20 3.43 1.01 0.32 -1.20 120.40 121.31 1a69 s VAL 59 Ca 0.31 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 1a69 s VAL 59 Cb -0.06 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.17 1a69 s VAL 59 CO 0.18 0.08 0.53 -0.32 0.00 0.00 0.00 175.10 175.57 1a69 s MET 60 N 1.22 0.61 0.57 2.72 1.75 -0.40 0.66 119.30 126.43 1a69 s MET 60 Ca -0.08 0.73 -0.18 0.00 -1.25 0.00 0.00 55.69 54.91 1a69 s MET 60 Cb -0.12 0.30 -0.05 0.00 2.84 0.00 0.00 34.83 37.80 1a69 s MET 60 CO -0.05 -0.07 1.09 0.20 -0.65 0.00 0.00 175.02 175.53 1a69 s GLY 61 N 0.28 2.39 0.00 2.11 0.00 -0.99 -3.41 107.32 107.69 1a69 s GLY 61 Ca -0.00 0.62 0.03 0.00 0.00 0.00 0.00 44.72 45.36 1a69 s GLY 61 CO 0.01 0.96 0.44 -2.39 0.00 0.00 0.00 173.10 172.11 1a69 n HIS 62 N -1.62 0.00 0.00 1.90 1.44 -0.33 -4.88 115.22 111.73 1a69 n HIS 62 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 1a69 n HIS 62 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1a69 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a69 n GLY 63 N 0.42 -1.39 3.75 -1.39 0.00 -1.01 -2.62 105.19 102.96 1a69 n GLY 63 Ca 0.01 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 1a69 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a69 s MET 64 N -1.24 4.13 0.00 1.61 1.00 -1.26 -4.63 119.30 118.91 1a69 s MET 64 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 55.69 55.70 1a69 s MET 64 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 34.83 31.44 1a69 s MET 64 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 175.02 175.77 1a69 n GLY 65 N 3.17 1.71 0.22 -0.03 0.00 -1.25 -4.48 105.19 104.54 1a69 n GLY 65 Ca -0.14 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 1a69 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a69 h ILE 66 N 0.00 1.05 -0.15 -0.61 2.04 -1.75 -2.44 117.51 115.65 1a69 h ILE 66 Ca 0.00 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1a69 h ILE 66 Cb 0.00 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1a69 h ILE 66 CO 0.00 0.12 -0.05 -0.65 0.00 0.00 0.00 178.15 177.57 1a69 h PRO 67 N 0.65 0.23 0.39 2.37 0.11 -1.90 -0.60 132.00 133.25 1a69 h PRO 67 Ca 0.22 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1a69 h PRO 67 Cb 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1a69 h PRO 67 CO -0.10 0.30 -0.19 1.03 -0.21 0.00 0.00 178.00 178.83 1a69 h SER 68 N 0.22 -0.44 -0.01 -2.05 0.87 -1.71 -3.20 113.55 107.22 1a69 h SER 68 Ca 0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1a69 h SER 68 Cb 0.24 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1a69 h SER 68 CO 0.01 -0.01 0.01 0.00 -0.53 0.00 0.00 176.83 176.32 1a69 h SER 70 N 0.00 0.97 0.17 0.00 0.02 -1.16 -1.52 113.55 112.02 1a69 h SER 70 Ca 0.01 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1a69 h SER 70 Cb 0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1a69 h SER 70 CO -0.00 0.89 -0.08 0.40 -1.14 0.00 0.00 176.83 176.90 1a69 h ILE 71 N 1.01 0.95 -0.13 3.27 2.04 -1.36 -2.65 117.51 120.64 1a69 h ILE 71 Ca 0.23 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1a69 h ILE 71 Cb 0.25 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1a69 h ILE 71 CO -0.01 0.15 0.07 1.88 0.00 0.00 0.00 178.15 180.24 1a69 h TYR 72 N -0.55 0.17 -0.92 1.37 0.05 -1.47 -2.41 116.97 113.21 1a69 h TYR 72 Ca -0.02 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.77 1a69 h TYR 72 Cb 0.42 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 1a69 h TYR 72 CO 0.03 0.17 0.61 1.79 -1.05 0.00 0.00 178.16 179.71 1a69 h THR 73 N 0.12 1.23 0.09 -2.88 1.35 -1.36 -1.51 112.91 109.95 1a69 h THR 73 Ca 0.05 -0.43 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1a69 h THR 73 Cb 0.05 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.35 1a69 h THR 73 CO -0.01 0.23 -0.04 0.50 -0.25 0.00 0.00 175.52 175.95 1a69 h LYS 74 N 1.24 -0.11 -1.00 4.72 3.11 -1.34 -2.18 116.57 121.00 1a69 h LYS 74 Ca 0.34 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.22 1a69 h LYS 74 Cb -0.12 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.08 1a69 h LYS 74 CO -0.08 0.11 0.66 0.93 -2.81 0.00 0.00 179.45 178.26 1a69 h GLU 75 N -0.32 1.26 -0.26 1.90 5.08 -1.24 -0.30 114.58 120.69 1a69 h GLU 75 Ca -0.01 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1a69 h GLU 75 Cb 0.27 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1a69 h GLU 75 CO 0.02 0.83 0.15 -0.07 -1.00 0.00 0.00 179.01 178.94 1a69 h LEU 76 N 1.30 0.31 -0.15 1.33 3.38 -1.19 0.19 115.31 120.48 1a69 h LEU 76 Ca 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1a69 h LEU 76 Cb -0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1a69 h LEU 76 CO -0.11 0.28 0.00 0.40 0.09 0.00 0.00 178.44 179.10 1a69 h ILE 77 N 0.32 1.25 0.05 1.22 2.04 -1.02 -1.40 117.51 119.96 1a69 h ILE 77 Ca 0.09 -0.81 -0.25 0.00 1.00 0.00 0.00 64.86 64.89 1a69 h ILE 77 Cb 0.03 1.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1a69 h ILE 77 CO -0.02 0.24 -1.05 0.71 0.00 0.00 0.00 178.15 178.03 1a69 h THR 78 N 0.01 1.42 -0.00 -0.27 1.35 -1.03 -3.33 112.91 111.06 1a69 h THR 78 Ca 0.04 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1a69 h THR 78 Cb 0.36 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1a69 h THR 78 CO 0.01 0.78 -0.37 0.47 -0.25 0.00 0.00 175.52 176.15 1a69 n ASP 79 N -3.69 0.44 -0.15 5.36 8.00 0.66 -4.67 116.55 122.50 1a69 n ASP 79 Ca -0.08 -0.72 0.01 0.00 0.71 0.00 0.00 54.79 54.72 1a69 n ASP 79 Cb 0.90 0.96 0.03 0.00 -0.02 0.00 0.00 41.12 42.99 1a69 n ASP 79 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1a69 n PHE 80 N -1.13 0.08 -1.88 1.24 3.01 -0.57 -4.57 117.46 113.65 1a69 n PHE 80 Ca 0.02 -0.35 -0.18 0.00 1.01 0.00 0.00 57.45 57.94 1a69 n PHE 80 Cb 0.13 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.52 1a69 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a69 n GLY 81 N -0.12 0.84 3.73 1.37 0.00 -1.12 -4.69 105.19 105.19 1a69 n GLY 81 Ca 0.03 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1a69 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a69 s VAL 82 N -2.77 3.25 -0.14 1.61 1.01 -0.98 -4.74 120.40 117.65 1a69 s VAL 82 Ca 0.00 0.95 0.11 0.00 0.00 0.00 0.00 61.98 63.04 1a69 s VAL 82 Cb 0.00 -3.61 -0.16 0.00 0.00 0.00 0.00 36.38 32.61 1a69 s VAL 82 CO 0.00 0.10 0.02 0.29 0.00 0.00 0.00 175.10 175.52 1a69 n LYS 83 N 3.36 1.66 -4.53 2.72 4.01 0.12 -4.48 118.16 121.02 1a69 n LYS 83 Ca 0.09 0.01 -0.22 0.00 -0.51 0.00 0.00 58.31 57.67 1a69 n LYS 83 Cb 0.42 -1.34 -0.16 0.00 -0.51 0.00 0.00 35.03 33.45 1a69 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1a69 s LYS 84 N -2.32 1.26 -0.11 1.97 1.02 -0.68 -2.02 119.74 118.86 1a69 s LYS 84 Ca -0.09 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.52 1a69 s LYS 84 Cb 0.04 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.23 1a69 s LYS 84 CO 0.53 0.14 -0.16 0.42 -0.92 0.00 0.00 175.35 175.36 1a69 s ILE 85 N 0.20 1.55 -0.29 2.17 1.01 -0.30 -0.65 121.20 124.89 1a69 s ILE 85 Ca -0.04 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.96 1a69 s ILE 85 Cb -0.10 -1.41 0.07 0.00 0.01 0.00 0.00 42.46 41.04 1a69 s ILE 85 CO 0.01 0.45 -0.04 -0.63 0.00 0.00 0.00 174.94 174.73 1a69 s ILE 86 N 0.96 2.30 0.00 2.92 1.01 0.09 -1.55 121.20 126.93 1a69 s ILE 86 Ca -0.07 -1.88 -0.28 0.00 0.00 0.00 0.00 60.65 58.42 1a69 s ILE 86 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1a69 s ILE 86 CO -0.01 -0.25 0.89 -0.60 0.00 0.00 0.00 174.94 174.96 1a69 s ARG 87 N 1.04 4.54 -0.41 2.79 3.52 0.14 -0.41 118.95 130.17 1a69 s ARG 87 Ca -0.01 1.25 0.03 0.00 -0.13 0.00 0.00 55.73 56.86 1a69 s ARG 87 Cb -0.20 -3.44 0.12 0.00 -1.56 0.00 0.00 34.95 29.88 1a69 s ARG 87 CO -0.06 0.05 0.17 0.14 -0.81 0.00 0.00 175.30 174.79 1a69 s VAL 88 N 0.71 1.83 0.00 7.11 -7.23 -0.35 -0.65 120.40 121.82 1a69 s VAL 88 Ca 0.46 -2.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1a69 s VAL 88 Cb -0.20 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1a69 s VAL 88 CO 0.25 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 1a69 n GLY 89 N 3.88 5.83 3.74 2.32 0.00 -0.72 -4.09 105.19 116.16 1a69 n GLY 89 Ca 0.04 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 1a69 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a69 s SER 90 N 0.47 4.52 0.12 1.61 1.04 -1.26 -1.26 113.70 118.93 1a69 s SER 90 Ca 0.00 -0.96 -0.25 0.00 0.48 0.00 0.00 55.95 55.23 1a69 s SER 90 Cb 0.00 -0.56 0.08 0.00 0.10 0.00 0.00 66.02 65.64 1a69 s SER 90 CO 0.00 -0.45 0.67 0.00 0.98 0.00 0.00 173.24 174.43 1a69 s GLY 92 N -2.63 2.19 0.07 0.00 0.00 -0.59 -0.78 107.32 105.58 1a69 s GLY 92 Ca 0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 1a69 s GLY 92 CO -0.11 -0.19 0.39 0.00 0.00 0.00 0.00 173.10 173.19 1a69 s ALA 93 N -0.76 3.73 -0.07 3.20 0.00 0.64 -0.16 121.76 128.33 1a69 s ALA 93 Ca 0.15 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1a69 s ALA 93 Cb -0.13 -2.26 -0.07 0.00 0.00 0.00 0.00 23.12 20.66 1a69 s ALA 93 CO 0.05 0.57 -0.02 1.55 0.00 0.00 0.00 175.76 177.90 1a69 n VAL 94 N 0.95 0.48 -2.23 0.00 3.14 -1.26 -1.73 118.33 117.67 1a69 n VAL 94 Ca -0.08 -0.25 -0.41 0.00 -2.96 0.00 0.00 64.34 60.64 1a69 n VAL 94 Cb 0.52 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 32.46 1a69 n VAL 94 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1a69 s LEU 95 N -4.91 4.46 0.19 6.55 1.02 -1.26 -4.84 118.68 119.89 1a69 s LEU 95 Ca -0.07 2.52 -0.10 0.00 0.02 0.00 0.00 54.13 56.49 1a69 s LEU 95 Cb 0.02 -3.63 0.11 0.00 0.02 0.00 0.00 46.19 42.71 1a69 s LEU 95 CO 0.24 -0.43 1.76 1.55 0.02 0.00 0.00 176.35 179.50 1a69 h PRO 96 N 3.94 0.99 0.00 1.29 0.13 -1.99 -2.49 132.00 133.87 1a69 h PRO 96 Ca -0.47 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1a69 h PRO 96 Cb 1.22 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1a69 h PRO 96 CO 0.68 0.81 0.00 -2.39 -0.23 0.00 0.00 178.00 176.87 1a69 n HIS 97 N -4.42 0.00 -2.91 1.56 1.44 -1.26 -4.56 115.22 105.07 1a69 n HIS 97 Ca 0.05 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.33 1a69 n HIS 97 Cb 0.15 -0.41 -0.03 0.00 0.12 0.00 0.00 29.99 29.82 1a69 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1a69 s VAL 98 N -2.82 4.56 0.72 0.61 1.01 -0.94 -5.01 120.40 118.52 1a69 s VAL 98 Ca 0.15 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1a69 s VAL 98 Cb 0.14 -4.72 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1a69 s VAL 98 CO 0.37 -1.46 1.07 -0.54 0.00 0.00 0.00 175.10 174.54 1a69 s LYS 99 N 3.29 2.77 0.85 2.72 -0.14 -1.26 -4.85 119.74 123.12 1a69 s LYS 99 Ca 0.26 0.76 -0.10 0.00 -1.36 0.00 0.00 55.97 55.53 1a69 s LYS 99 Cb -0.12 -1.99 0.11 0.00 -1.68 0.00 0.00 37.83 34.15 1a69 s LYS 99 CO 0.00 -1.17 1.12 -0.51 -0.76 0.00 0.00 175.35 174.04 1a69 s LEU 100 N -5.53 2.92 0.00 3.17 1.02 -1.26 -3.10 118.68 115.89 1a69 s LEU 100 Ca 0.58 2.02 0.00 0.00 0.02 0.00 0.00 54.13 56.75 1a69 s LEU 100 Cb -0.13 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.54 1a69 s LEU 100 CO 0.54 -2.62 0.00 0.54 0.02 0.00 0.00 176.35 174.83 1a69 n ARG 101 N -3.91 0.00 -1.71 1.70 1.74 -0.25 -4.93 116.66 109.30 1a69 n ARG 101 Ca 0.11 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.84 1a69 n ARG 101 Cb 0.52 -3.64 0.06 0.00 -1.02 0.00 0.00 32.46 28.38 1a69 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a69 s ASP 102 N -2.43 4.73 -0.23 0.55 1.11 -1.18 -4.59 116.67 114.63 1a69 s ASP 102 Ca 0.00 2.30 -0.07 0.00 0.18 0.00 0.00 52.55 54.97 1a69 s ASP 102 Cb 0.00 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1a69 s ASP 102 CO 0.00 -1.90 0.06 -0.69 1.18 0.00 0.00 175.17 173.81 1a69 s VAL 103 N -1.90 4.32 -0.08 -1.27 1.01 -1.26 -0.91 120.40 120.31 1a69 s VAL 103 Ca 0.74 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1a69 s VAL 103 Cb -0.28 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1a69 s VAL 103 CO 0.40 0.38 -0.18 0.68 0.00 0.00 0.00 175.10 176.38 1a69 s VAL 104 N 1.29 2.68 -0.28 2.92 -7.23 0.92 -1.76 120.40 118.94 1a69 s VAL 104 Ca 0.05 -0.83 -0.08 0.00 -1.81 0.00 0.00 61.98 59.30 1a69 s VAL 104 Cb -0.15 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 1a69 s VAL 104 CO 0.03 0.56 0.11 -0.63 -0.31 0.00 0.00 175.10 174.86 1a69 s ILE 105 N -0.17 4.40 -1.04 -0.62 1.01 0.21 -0.41 121.20 124.58 1a69 s ILE 105 Ca -0.02 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.08 1a69 s ILE 105 Cb -0.14 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.23 1a69 s ILE 105 CO 0.03 0.19 1.46 -0.83 0.00 0.00 0.00 174.94 175.80 1a69 s GLY 106 N 1.60 1.34 0.27 6.18 0.00 0.89 -1.78 107.32 115.82 1a69 s GLY 106 Ca 0.05 -2.36 0.08 0.00 0.00 0.00 0.00 44.72 42.49 1a69 s GLY 106 CO 0.05 2.65 1.61 1.98 0.00 0.00 0.00 173.10 179.39 1a69 h MET 107 N 9.50 0.09 -4.28 2.90 -1.53 -1.37 -3.38 114.93 116.85 1a69 h MET 107 Ca 0.22 -0.06 -0.15 0.00 -3.44 0.00 0.00 59.70 56.27 1a69 h MET 107 Cb 1.00 0.01 -0.15 0.00 -0.55 0.00 0.00 31.60 31.91 1a69 h MET 107 CO 1.41 0.65 -0.60 0.20 0.14 0.00 0.00 176.91 178.71 1a69 s GLY 108 N -4.40 0.74 -0.15 1.39 0.00 -1.11 -1.91 107.32 101.89 1a69 s GLY 108 Ca -0.02 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.37 1a69 s GLY 108 CO 0.77 -1.26 0.20 0.00 0.00 0.00 0.00 173.10 172.81 1a69 s ALA 109 N -3.99 -0.26 0.79 3.20 0.00 -0.17 -1.42 121.76 119.90 1a69 s ALA 109 Ca 0.18 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 1a69 s ALA 109 Cb 0.07 -1.07 0.08 0.00 0.00 0.00 0.00 23.12 22.20 1a69 s ALA 109 CO -0.02 -0.87 1.14 0.00 0.00 0.00 0.00 175.76 176.01 1a69 s THR 111 N -3.50 0.00 -0.83 0.00 -1.32 -1.26 -0.05 115.64 108.68 1a69 s THR 111 Ca 0.62 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.19 1a69 s THR 111 Cb -0.11 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.11 1a69 s THR 111 CO 0.48 0.00 1.15 -0.90 -2.21 0.00 0.00 174.62 173.14 1a69 n ASP 112 N -0.09 2.63 -4.87 8.08 5.68 -1.20 -4.98 116.55 121.80 1a69 n ASP 112 Ca -0.07 -1.91 -0.30 0.00 -0.50 0.00 0.00 54.79 52.01 1a69 n ASP 112 Cb 0.60 -0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 40.41 1a69 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1a69 s SER 113 N -0.97 6.35 0.00 -1.12 0.15 -1.26 -4.89 113.70 111.97 1a69 s SER 113 Ca 0.18 1.28 0.24 0.00 0.70 0.00 0.00 55.95 58.35 1a69 s SER 113 Cb 0.10 -2.40 0.17 0.00 -1.71 0.00 0.00 66.02 62.18 1a69 s SER 113 CO 0.13 -0.68 1.23 1.17 1.20 0.00 0.00 173.24 176.30 1a69 n LYS 114 N -2.20 1.97 -0.14 5.44 4.81 -1.26 -4.62 118.16 122.16 1a69 n LYS 114 Ca 0.04 -1.61 -0.03 0.00 -0.87 0.00 0.00 58.31 55.84 1a69 n LYS 114 Cb 0.54 -1.47 0.05 0.00 0.02 0.00 0.00 35.03 34.17 1a69 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1a69 h VAL 115 N 3.94 0.65 -0.01 3.15 -1.51 -2.00 -2.14 116.25 118.33 1a69 h VAL 115 Ca 0.00 -0.04 -0.09 0.00 -1.23 0.00 0.00 66.70 65.34 1a69 h VAL 115 Cb 0.91 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1a69 h VAL 115 CO 0.00 0.02 -0.41 0.78 -1.23 0.00 0.00 177.57 176.73 1a69 h ASN 116 N 0.11 0.02 0.32 4.19 -0.26 -1.94 -2.48 115.58 115.53 1a69 h ASN 116 Ca 0.23 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.86 1a69 h ASN 116 Cb 0.33 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1a69 h ASN 116 CO -0.38 0.43 -0.43 0.03 -1.06 0.00 0.00 177.43 176.02 1a69 h ARG 117 N 0.01 0.14 -0.24 0.81 3.08 -1.71 0.46 114.38 116.95 1a69 h ARG 117 Ca -0.00 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1a69 h ARG 117 Cb 0.73 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1a69 h ARG 117 CO 0.05 0.55 -0.39 0.82 -1.07 0.00 0.00 179.97 179.93 1a69 h ILE 118 N 0.12 1.30 0.05 2.04 2.04 -0.96 0.51 117.51 122.61 1a69 h ILE 118 Ca 0.01 -1.55 -0.27 0.00 1.00 0.00 0.00 64.86 64.06 1a69 h ILE 118 Cb 0.81 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1a69 h ILE 118 CO 0.06 0.49 -1.36 0.03 0.00 0.00 0.00 178.15 177.37 1a69 h ARG 119 N 0.45 0.11 -1.03 2.37 3.08 -1.13 -3.38 114.38 114.85 1a69 h ARG 119 Ca 0.04 -0.18 -0.56 0.00 0.07 0.00 0.00 59.98 59.34 1a69 h ARG 119 Cb 0.88 0.07 -0.28 0.00 0.08 0.00 0.00 29.97 30.72 1a69 h ARG 119 CO 0.08 0.95 0.72 0.34 -1.07 0.00 0.00 179.97 180.99 1a69 n PHE 120 N -3.33 2.98 -2.88 3.04 7.35 0.16 -4.92 117.46 119.86 1a69 n PHE 120 Ca -0.10 -2.32 -0.18 0.00 -0.76 0.00 0.00 57.45 54.09 1a69 n PHE 120 Cb 1.01 -1.15 -0.00 0.00 0.35 0.00 0.00 39.48 39.69 1a69 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1a69 n LYS 121 N -0.93 -2.97 -1.19 -4.13 5.02 -1.14 -0.87 118.16 111.94 1a69 n LYS 121 Ca 0.58 0.56 -0.07 0.00 -2.02 0.00 0.00 58.31 57.36 1a69 n LYS 121 Cb 1.16 -5.23 -0.03 0.00 -0.02 0.00 0.00 35.03 30.91 1a69 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1a69 n ASP 122 N -2.07 -4.07 -2.67 4.39 2.03 0.18 -5.02 116.55 109.32 1a69 n ASP 122 Ca -0.08 0.16 -0.04 0.00 0.52 0.00 0.00 54.79 55.35 1a69 n ASP 122 Cb 0.58 -2.16 0.02 0.00 -0.72 0.00 0.00 41.12 38.84 1a69 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1a69 n HIS 123 N -2.72 -2.86 -3.18 -0.67 8.25 -0.05 -5.00 115.22 108.99 1a69 n HIS 123 Ca -0.07 -0.48 -0.44 0.00 -0.26 0.00 0.00 57.72 56.47 1a69 n HIS 123 Cb 0.26 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.18 1a69 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a69 s ASP 124 N -1.83 6.23 -0.33 0.41 1.11 -1.26 -4.61 116.67 116.39 1a69 s ASP 124 Ca 0.14 -0.81 -0.15 0.00 0.18 0.00 0.00 52.55 51.91 1a69 s ASP 124 Cb -0.01 -2.28 -0.02 0.00 1.07 0.00 0.00 42.92 41.68 1a69 s ASP 124 CO 0.09 -0.82 0.38 0.12 1.18 0.00 0.00 175.17 176.12 1a69 s PHE 125 N 2.54 3.21 -0.66 4.23 5.36 -1.26 -5.02 117.98 126.38 1a69 s PHE 125 Ca 0.15 0.10 -0.27 0.00 -0.96 0.00 0.00 56.93 55.95 1a69 s PHE 125 Cb -0.18 -2.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.84 1a69 s PHE 125 CO 0.13 -0.39 1.36 0.00 -1.46 0.00 0.00 175.22 174.86 1a69 s ALA 126 N 2.07 2.73 -0.56 11.12 0.00 -1.26 -4.95 121.76 130.92 1a69 s ALA 126 Ca 0.13 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 50.76 1a69 s ALA 126 Cb -0.16 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1a69 s ALA 126 CO 0.11 -3.19 1.58 0.00 0.00 0.00 0.00 175.76 174.26 1a69 s ALA 127 N 6.08 2.63 0.23 0.00 0.00 -1.26 -4.98 121.76 124.47 1a69 s ALA 127 Ca 0.44 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.90 1a69 s ALA 127 Cb -0.09 -4.16 -0.05 0.00 0.00 0.00 0.00 23.12 18.82 1a69 s ALA 127 CO 0.19 -3.20 -0.19 0.96 0.00 0.00 0.00 175.76 173.52 1a69 s ILE 128 N 7.01 2.18 0.76 0.00 -4.36 -1.26 -1.00 121.20 124.53 1a69 s ILE 128 Ca 0.59 -2.24 -0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1a69 s ILE 128 Cb -0.13 -2.15 0.12 0.00 1.25 0.00 0.00 42.46 41.55 1a69 s ILE 128 CO 0.24 -0.40 1.05 0.00 0.24 0.00 0.00 174.94 176.07 1a69 s ALA 129 N -2.46 3.25 -0.01 2.27 0.00 -0.80 -4.86 121.76 119.16 1a69 s ALA 129 Ca 0.25 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 1a69 s ALA 129 Cb -0.04 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1a69 s ALA 129 CO 0.11 -1.58 1.05 0.34 0.00 0.00 0.00 175.76 175.68 1a69 s ASP 130 N -4.69 7.26 0.14 0.00 2.15 -0.53 -4.95 116.67 116.05 1a69 s ASP 130 Ca 0.66 1.72 -0.25 0.00 0.43 0.00 0.00 52.55 55.11 1a69 s ASP 130 Cb -0.07 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.97 1a69 s ASP 130 CO 0.46 -0.36 1.62 0.15 -0.17 0.00 0.00 175.17 176.87 1a69 h PHE 131 N 6.91 -0.77 -0.58 -5.34 3.57 -1.96 -1.56 116.94 117.21 1a69 h PHE 131 Ca -0.39 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.26 1a69 h PHE 131 Cb 1.20 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 40.21 1a69 h PHE 131 CO 0.69 -0.36 0.12 -0.44 -2.23 0.00 0.00 178.31 176.08 1a69 h ASP 132 N -0.36 -0.01 -0.77 0.41 3.32 -1.99 -0.29 116.42 116.72 1a69 h ASP 132 Ca 0.10 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1a69 h ASP 132 Cb 0.51 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1a69 h ASP 132 CO -0.33 0.01 0.51 0.24 -1.72 0.00 0.00 179.24 177.95 1a69 h MET 133 N 0.25 0.97 0.01 3.56 2.86 -1.81 0.13 114.93 120.91 1a69 h MET 133 Ca 0.30 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1a69 h MET 133 Cb 0.45 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1a69 h MET 133 CO -0.40 0.64 -0.01 0.28 1.06 0.00 0.00 176.91 178.49 1a69 h VAL 134 N 1.00 1.21 -0.51 -2.22 2.07 -0.12 -2.06 116.25 115.63 1a69 h VAL 134 Ca 0.30 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1a69 h VAL 134 Cb -0.04 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1a69 h VAL 134 CO -0.07 0.18 0.27 -0.09 0.02 0.00 0.00 177.57 177.87 1a69 h ARG 135 N -0.31 0.50 -0.53 1.57 2.43 -0.72 -0.35 114.38 116.98 1a69 h ARG 135 Ca -0.00 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1a69 h ARG 135 Cb 0.30 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1a69 h ARG 135 CO 0.00 0.33 0.22 -0.91 -1.51 0.00 0.00 179.97 178.11 1a69 h ASN 136 N 0.52 0.27 -0.59 -3.80 2.35 -0.68 -0.89 115.58 112.76 1a69 h ASN 136 Ca 0.22 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1a69 h ASN 136 Cb 0.12 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1a69 h ASN 136 CO -0.15 0.18 0.15 0.00 -1.65 0.00 0.00 177.43 175.97 1a69 h ALA 137 N 1.33 1.10 -0.34 -0.83 0.00 -0.77 -1.05 119.26 118.70 1a69 h ALA 137 Ca 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a69 h ALA 137 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1a69 h ALA 137 CO -0.22 0.60 0.16 0.28 0.00 0.00 0.00 179.25 180.07 1a69 h VAL 138 N 0.93 1.17 -0.52 0.00 2.07 -0.12 -1.67 116.25 118.10 1a69 h VAL 138 Ca 0.20 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1a69 h VAL 138 Cb 0.33 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1a69 h VAL 138 CO -0.00 0.18 -0.10 0.44 0.02 0.00 0.00 177.57 178.11 1a69 h ASP 139 N 0.40 0.95 -0.37 0.57 3.32 -1.03 -2.17 116.42 118.11 1a69 h ASP 139 Ca 0.11 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1a69 h ASP 139 Cb 0.13 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1a69 h ASP 139 CO -0.01 1.06 0.21 0.00 -1.72 0.00 0.00 179.24 178.78 1a69 h ALA 140 N 1.02 0.47 -0.90 3.45 0.00 -1.02 -0.30 119.26 121.99 1a69 h ALA 140 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a69 h ALA 140 Cb 0.64 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1a69 h ALA 140 CO 0.04 -0.02 0.51 0.00 0.00 0.00 0.00 179.25 179.78 1a69 h ALA 141 N 1.08 1.15 -0.39 0.00 0.00 -1.19 -1.63 119.26 118.28 1a69 h ALA 141 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a69 h ALA 141 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1a69 h ALA 141 CO -0.02 0.64 0.24 -0.22 0.00 0.00 0.00 179.25 179.89 1a69 h LYS 142 N 1.25 0.53 0.00 0.00 3.64 -0.90 0.19 116.57 121.28 1a69 h LYS 142 Ca 0.32 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1a69 h LYS 142 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1a69 h LYS 142 CO -0.05 0.38 -0.26 0.00 -2.27 0.00 0.00 179.45 177.25 1a69 h ALA 143 N 1.12 1.56 -0.11 5.00 0.00 -0.63 -2.33 119.26 123.87 1a69 h ALA 143 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a69 h ALA 143 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a69 h ALA 143 CO -0.03 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1a69 n LEU 144 N -4.21 1.63 -0.92 0.00 4.32 -0.65 -4.91 117.00 112.27 1a69 n LEU 144 Ca -0.02 -0.63 -0.12 0.00 -0.02 0.00 0.00 56.01 55.22 1a69 n LEU 144 Cb 0.31 -0.06 -0.05 0.00 -1.62 0.00 0.00 43.42 42.00 1a69 n LEU 144 CO 0.37 0.31 -0.11 0.61 -1.22 0.00 0.00 177.39 177.35 1a69 n GLY 145 N 1.16 1.26 3.76 -0.72 0.00 -0.78 -4.99 105.19 104.88 1a69 n GLY 145 Ca 0.17 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1a69 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a69 s ILE 146 N -2.44 5.39 0.08 -0.61 1.01 0.60 -5.01 121.20 120.22 1a69 s ILE 146 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 1a69 s ILE 146 Cb 0.00 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 1a69 s ILE 146 CO 0.00 0.46 1.00 -1.81 0.00 0.00 0.00 174.94 174.59 1a69 s ASP 147 N 0.09 7.41 -0.08 3.58 1.01 -1.26 -4.10 116.67 123.31 1a69 s ASP 147 Ca 0.12 1.81 -0.04 0.00 0.71 0.00 0.00 52.55 55.15 1a69 s ASP 147 Cb -0.12 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.27 1a69 s ASP 147 CO 0.01 -0.17 0.18 0.00 0.21 0.00 0.00 175.17 175.40 1a69 s ALA 148 N 0.34 -0.32 -0.03 5.23 0.00 -1.26 -4.24 121.76 121.47 1a69 s ALA 148 Ca 0.49 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 1a69 s ALA 148 Cb -0.24 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1a69 s ALA 148 CO 0.30 -0.27 0.54 1.03 0.00 0.00 0.00 175.76 177.36 1a69 s ARG 149 N 1.48 4.27 -0.20 0.00 0.52 -0.72 -4.91 118.95 119.38 1a69 s ARG 149 Ca -0.06 0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 55.73 1a69 s ARG 149 Cb -0.11 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 1a69 s ARG 149 CO -0.07 0.36 -0.04 0.08 0.02 0.00 0.00 175.30 175.66 1a69 s VAL 150 N -0.13 3.50 0.00 3.52 1.01 -1.26 0.63 120.40 127.68 1a69 s VAL 150 Ca 0.29 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1a69 s VAL 150 Cb -0.17 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1a69 s VAL 150 CO 0.15 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1a69 n GLY 151 N 4.48 1.59 3.85 4.51 0.00 -0.74 -4.95 105.19 113.93 1a69 n GLY 151 Ca -0.18 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 1a69 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a69 s ASN 152 N 2.00 6.69 0.37 1.61 0.01 -1.26 -1.03 114.94 123.34 1a69 s ASN 152 Ca 0.00 0.83 0.08 0.00 -0.71 0.00 0.00 52.86 53.06 1a69 s ASN 152 Cb 0.00 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 1a69 s ASN 152 CO 0.00 0.34 0.14 -0.76 -1.51 0.00 0.00 177.10 175.31 1a69 s LEU 153 N -1.11 3.14 -0.20 0.60 1.43 -0.51 -0.98 118.68 121.05 1a69 s LEU 153 Ca 0.22 -0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1a69 s LEU 153 Cb -0.15 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.59 1a69 s LEU 153 CO 0.11 -0.40 -0.04 0.12 0.23 0.00 0.00 176.35 176.37 1a69 s PHE 154 N -2.52 1.89 -0.57 0.29 2.19 -0.38 0.20 117.98 119.08 1a69 s PHE 154 Ca 0.39 -1.34 -0.22 0.00 0.33 0.00 0.00 56.93 56.09 1a69 s PHE 154 Cb 0.01 -1.38 0.06 0.00 -1.31 0.00 0.00 43.02 40.39 1a69 s PHE 154 CO 0.22 -0.69 0.84 -1.12 1.83 0.00 0.00 175.22 176.31 1a69 s SER 155 N 1.57 6.25 0.20 6.13 0.01 0.93 -1.21 113.70 127.58 1a69 s SER 155 Ca -0.02 -0.76 -0.07 0.00 1.31 0.00 0.00 55.95 56.41 1a69 s SER 155 Cb -0.17 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1a69 s SER 155 CO -0.07 -1.18 0.48 0.00 0.41 0.00 0.00 173.24 172.87 1a69 s ALA 156 N 3.51 3.67 -0.09 1.44 0.00 0.29 -3.22 121.76 127.37 1a69 s ALA 156 Ca 0.22 -0.43 0.14 0.00 0.00 0.00 0.00 51.96 51.90 1a69 s ALA 156 Cb -0.16 -2.29 -0.24 0.00 0.00 0.00 0.00 23.12 20.43 1a69 s ALA 156 CO 0.14 0.55 0.49 -0.25 0.00 0.00 0.00 175.76 176.70 1a69 n ASP 157 N -0.12 0.67 -4.21 0.00 9.92 -1.26 -4.45 116.55 117.10 1a69 n ASP 157 Ca -0.01 0.30 -0.36 0.00 -0.53 0.00 0.00 54.79 54.19 1a69 n ASP 157 Cb 0.52 0.21 -0.13 0.00 -0.64 0.00 0.00 41.12 41.08 1a69 n ASP 157 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1a69 s LEU 158 N -5.95 4.30 0.18 0.64 1.02 -1.26 -4.95 118.68 112.67 1a69 s LEU 158 Ca -0.07 -1.34 -0.10 0.00 0.02 0.00 0.00 54.13 52.64 1a69 s LEU 158 Cb 0.07 -1.80 0.09 0.00 0.02 0.00 0.00 46.19 44.57 1a69 s LEU 158 CO 0.82 -0.34 1.71 0.15 0.02 0.00 0.00 176.35 178.72 1a69 h PHE 159 N 8.11 1.03 -3.15 0.29 3.57 -1.97 -3.18 116.94 121.63 1a69 h PHE 159 Ca -0.21 -0.11 -0.78 0.00 3.53 0.00 0.00 57.97 60.40 1a69 h PHE 159 Cb 1.07 -0.30 -0.29 0.00 2.79 0.00 0.00 35.95 39.22 1a69 h PHE 159 CO 0.60 0.84 0.51 0.66 -2.23 0.00 0.00 178.31 178.69 1a69 n TYR 160 N -4.36 3.62 -2.35 0.41 4.01 -1.26 -5.04 117.16 112.19 1a69 n TYR 160 Ca 0.04 -3.30 -0.41 0.00 -0.16 0.00 0.00 57.90 54.07 1a69 n TYR 160 Cb 0.22 -1.37 -0.04 0.00 -0.31 0.00 0.00 39.34 37.84 1a69 n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a69 s SER 161 N -0.55 7.09 0.19 7.72 0.15 -1.21 -4.94 113.70 122.16 1a69 s SER 161 Ca 0.31 2.38 0.25 0.00 0.70 0.00 0.00 55.95 59.59 1a69 s SER 161 Cb -0.01 -2.63 0.58 0.00 -1.71 0.00 0.00 66.02 62.25 1a69 s SER 161 CO 0.01 -0.30 1.58 1.55 1.20 0.00 0.00 173.24 177.28 1a69 h PRO 162 N 4.04 0.00 -3.76 5.44 0.13 -1.96 -3.40 132.00 132.49 1a69 h PRO 162 Ca -0.47 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.87 1a69 h PRO 162 Cb 1.22 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 1a69 h PRO 162 CO 0.68 0.00 0.16 0.34 -0.23 0.00 0.00 178.00 178.95 1a69 s ASP 163 N -4.58 6.83 0.29 1.44 2.15 -1.26 -4.89 116.67 116.66 1a69 s ASP 163 Ca 0.08 -2.91 0.05 0.00 0.43 0.00 0.00 52.55 50.21 1a69 s ASP 163 Cb 0.12 -2.19 0.46 0.00 -0.30 0.00 0.00 42.92 41.00 1a69 s ASP 163 CO 0.65 -0.50 1.72 1.23 -0.17 0.00 0.00 175.17 178.10 1a69 h GLY 164 N 7.49 0.35 2.00 2.66 0.00 -2.03 -2.91 103.07 110.63 1a69 h GLY 164 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1a69 h GLY 164 CO 0.81 0.28 -0.00 -2.09 0.00 0.00 0.00 176.54 175.53 1a69 h GLU 165 N 0.28 0.00 -0.29 4.80 4.81 -1.98 -1.85 114.58 120.35 1a69 h GLU 165 Ca 0.03 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1a69 h GLU 165 Cb 0.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1a69 h GLU 165 CO 0.06 0.00 0.21 1.98 -0.73 0.00 0.00 179.01 180.54 1a69 h MET 166 N 0.00 0.00 -0.50 1.92 4.05 -1.94 -1.35 114.93 117.11 1a69 h MET 166 Ca -0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1a69 h MET 166 Cb 0.01 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1a69 h MET 166 CO 0.00 0.00 0.07 0.74 0.23 0.00 0.00 176.91 177.95 1a69 h PHE 167 N 0.00 0.83 -0.39 1.39 0.04 -1.53 -1.38 116.94 115.90 1a69 h PHE 167 Ca 0.14 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 1a69 h PHE 167 Cb 0.56 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1a69 h PHE 167 CO 0.00 0.73 -0.04 -0.44 -0.60 0.00 0.00 178.31 177.95 1a69 h ASP 168 N 0.76 0.62 -0.34 2.17 3.32 -1.41 -0.62 116.42 120.92 1a69 h ASP 168 Ca 0.16 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1a69 h ASP 168 Cb 0.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1a69 h ASP 168 CO 0.01 0.72 -0.37 0.58 -1.72 0.00 0.00 179.24 178.46 1a69 h VAL 169 N 0.60 1.28 -0.45 -1.35 2.07 -1.33 -0.78 116.25 116.29 1a69 h VAL 169 Ca 0.12 -1.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 1a69 h VAL 169 Cb 0.45 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1a69 h VAL 169 CO 0.02 0.51 0.06 0.24 0.02 0.00 0.00 177.57 178.42 1a69 h MET 170 N 0.73 0.76 -0.26 1.57 2.86 -0.90 -1.96 114.93 117.72 1a69 h MET 170 Ca 0.06 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1a69 h MET 170 Cb 0.95 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1a69 h MET 170 CO 0.09 0.79 0.17 1.49 1.06 0.00 0.00 176.91 180.51 1a69 h GLU 171 N 0.62 0.34 -0.93 1.72 4.81 -0.99 -0.93 114.58 119.21 1a69 h GLU 171 Ca 0.14 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1a69 h GLU 171 Cb 0.41 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1a69 h GLU 171 CO 0.01 0.24 0.61 -0.22 -0.73 0.00 0.00 179.01 178.93 1a69 h LYS 172 N 0.34 1.16 -0.02 1.92 3.64 -0.97 -1.91 116.57 120.72 1a69 h LYS 172 Ca 0.09 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1a69 h LYS 172 Cb -0.02 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 1a69 h LYS 172 CO -0.02 0.77 0.00 0.66 -2.27 0.00 0.00 179.45 178.59 1a69 n TYR 173 N -4.43 0.03 -2.17 1.91 4.02 -0.75 -4.93 117.16 110.84 1a69 n TYR 173 Ca 0.12 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.90 57.90 1a69 n TYR 173 Cb 0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1a69 n TYR 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a69 n GLY 174 N 0.94 -0.01 3.71 2.72 0.00 -0.72 -4.98 105.19 106.85 1a69 n GLY 174 Ca 0.18 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1a69 n GLY 174 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1a69 s ILE 175 N -2.47 3.17 0.20 -0.61 -5.25 -0.41 -4.68 121.20 111.14 1a69 s ILE 175 Ca 0.00 0.77 -0.07 0.00 -0.99 0.00 0.00 60.65 60.36 1a69 s ILE 175 Cb 0.00 -3.49 0.03 0.00 2.95 0.00 0.00 42.46 41.95 1a69 s ILE 175 CO 0.00 0.04 1.61 -0.07 -1.79 0.00 0.00 174.94 174.73 1a69 h LEU 176 N 7.42 0.89 -7.00 0.37 3.38 -1.41 -3.41 115.31 115.56 1a69 h LEU 176 Ca -0.42 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.25 1a69 h LEU 176 Cb 1.20 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 1a69 h LEU 176 CO 0.90 1.06 0.33 -0.83 0.09 0.00 0.00 178.44 179.98 1a69 s GLY 177 N -3.78 -0.50 -0.24 0.83 0.00 -1.25 -4.45 107.32 97.91 1a69 s GLY 177 Ca -0.10 1.20 -0.04 0.00 0.00 0.00 0.00 44.72 45.78 1a69 s GLY 177 CO 0.85 0.65 -0.03 0.54 0.00 0.00 0.00 173.10 175.12 1a69 s VAL 178 N -2.18 3.30 0.00 1.40 0.11 0.77 -1.25 120.40 122.55 1a69 s VAL 178 Ca -0.03 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1a69 s VAL 178 Cb -0.01 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 1a69 s VAL 178 CO -0.01 0.28 0.00 -1.84 -3.33 0.00 0.00 175.10 170.20 1a69 n GLU 179 N 4.76 2.52 -0.81 1.54 -0.00 -0.35 -1.54 120.64 126.77 1a69 n GLU 179 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.01 1a69 n GLU 179 Cb 0.49 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.95 1a69 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1a69 n MET 180 N 0.00 0.14 0.00 3.44 2.81 -1.26 -0.55 117.12 121.70 1a69 n MET 180 Ca 0.00 -1.51 0.00 0.00 -1.81 0.00 0.00 57.70 54.38 1a69 n MET 180 Cb 0.00 -0.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 1a69 n MET 180 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1a69 n GLU 181 N 0.04 2.43 -0.30 0.03 0.00 -1.26 -2.17 120.64 119.41 1a69 n GLU 181 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.13 1a69 n GLU 181 Cb 0.85 -0.20 -0.02 0.00 0.00 0.00 0.00 31.44 32.06 1a69 n GLU 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a69 h ALA 182 N 0.00 -0.21 -0.62 -1.84 0.00 -1.95 -0.22 119.26 114.42 1a69 h ALA 182 Ca 0.00 0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1a69 h ALA 182 Cb 0.00 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1a69 h ALA 182 CO 0.00 -0.78 0.42 0.00 0.00 0.00 0.00 179.25 178.89 1a69 h ALA 183 N 0.85 2.11 -0.13 0.00 0.00 -1.84 -0.05 119.26 120.19 1a69 h ALA 183 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1a69 h ALA 183 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a69 h ALA 183 CO -0.82 -0.26 -0.46 0.78 0.00 0.00 0.00 179.25 178.49 1a69 h GLY 184 N 0.35 0.60 0.97 0.00 0.00 -1.44 -2.14 103.07 101.41 1a69 h GLY 184 Ca 0.29 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1a69 h GLY 184 CO -0.08 0.71 0.19 -2.22 0.00 0.00 0.00 176.54 175.14 1a69 h ILE 185 N 0.16 1.21 -0.63 2.60 2.04 -0.47 -1.72 117.51 120.70 1a69 h ILE 185 Ca -0.02 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1a69 h ILE 185 Cb 1.09 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1a69 h ILE 185 CO 0.10 0.25 0.25 1.88 0.00 0.00 0.00 178.15 180.63 1a69 h TYR 186 N 0.65 0.92 -0.42 1.37 0.05 -1.06 -1.27 116.97 117.22 1a69 h TYR 186 Ca 0.16 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 1a69 h TYR 186 Cb 0.21 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1a69 h TYR 186 CO 0.01 0.71 -0.03 0.78 -1.05 0.00 0.00 178.16 178.57 1a69 h GLY 187 N 1.00 0.82 0.90 3.88 0.00 -1.04 -2.51 103.07 106.12 1a69 h GLY 187 Ca 0.21 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1a69 h GLY 187 CO -0.02 0.57 0.08 -2.08 0.00 0.00 0.00 176.54 175.10 1a69 h VAL 188 N 0.59 1.21 -0.82 4.60 2.07 -1.01 -1.39 116.25 121.50 1a69 h VAL 188 Ca 0.11 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 67.02 1a69 h VAL 188 Cb 0.53 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1a69 h VAL 188 CO 0.03 0.23 0.48 0.00 0.02 0.00 0.00 177.57 178.33 1a69 h ALA 189 N 0.92 1.14 -0.26 1.67 0.00 -1.20 0.27 119.26 121.80 1a69 h ALA 189 Ca 0.10 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1a69 h ALA 189 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1a69 h ALA 189 CO -0.00 0.14 -0.48 0.00 0.00 0.00 0.00 179.25 178.91 1a69 h ALA 190 N 1.43 0.67 -0.28 0.00 0.00 -1.29 0.69 119.26 120.47 1a69 h ALA 190 Ca 0.38 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1a69 h ALA 190 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a69 h ALA 190 CO -0.22 0.67 -0.45 1.49 0.00 0.00 0.00 179.25 180.75 1a69 h GLU 191 N 0.55 0.72 -0.63 0.00 4.81 -0.40 -3.19 114.58 116.44 1a69 h GLU 191 Ca 0.03 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1a69 h GLU 191 Cb 1.03 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1a69 h GLU 191 CO 0.10 1.02 0.00 1.19 -0.73 0.00 0.00 179.01 180.59 1a69 n PHE 192 N -4.02 0.88 -3.42 0.92 3.01 0.87 -5.00 117.46 110.70 1a69 n PHE 192 Ca -0.02 -0.51 -0.18 0.00 1.01 0.00 0.00 57.45 57.75 1a69 n PHE 192 Cb 0.56 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 40.04 1a69 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a69 n GLY 193 N 1.32 -1.15 3.42 1.37 0.00 0.10 -5.00 105.19 105.25 1a69 n GLY 193 Ca 0.21 0.51 -0.21 0.00 0.00 0.00 0.00 46.02 46.53 1a69 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a69 s ALA 194 N -3.25 2.30 -0.11 4.61 0.00 0.20 -5.01 121.76 120.50 1a69 s ALA 194 Ca 0.27 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1a69 s ALA 194 Cb -0.07 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1a69 s ALA 194 CO 0.81 -0.39 -0.05 0.15 0.00 0.00 0.00 175.76 176.28 1a69 s LYS 195 N -3.86 3.20 0.11 0.00 1.02 -0.86 -4.50 119.74 114.84 1a69 s LYS 195 Ca 0.33 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 1a69 s LYS 195 Cb 0.06 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1a69 s LYS 195 CO 0.15 0.46 0.05 0.00 -0.92 0.00 0.00 175.35 175.10 1a69 s ALA 196 N -0.25 0.64 -0.17 5.17 0.00 -1.26 -1.15 121.76 124.73 1a69 s ALA 196 Ca 0.04 -1.31 -0.28 0.00 0.00 0.00 0.00 51.96 50.41 1a69 s ALA 196 Cb -0.13 0.67 0.08 0.00 0.00 0.00 0.00 23.12 23.74 1a69 s ALA 196 CO 0.02 -0.46 0.76 -1.17 0.00 0.00 0.00 175.76 174.91 1a69 s LEU 197 N -2.99 -0.65 -0.08 0.00 2.96 -0.60 -1.45 118.68 115.87 1a69 s LEU 197 Ca 0.18 1.01 0.02 0.00 -0.22 0.00 0.00 54.13 55.12 1a69 s LEU 197 Cb 0.07 2.39 0.01 0.00 0.50 0.00 0.00 46.19 49.17 1a69 s LEU 197 CO -0.03 -0.39 -0.14 0.28 -1.32 0.00 0.00 176.35 174.75 1a69 s THR 198 N -0.39 1.32 -0.04 3.68 -1.32 -1.26 -0.68 115.64 116.94 1a69 s THR 198 Ca -0.04 -0.57 0.06 0.00 -1.21 0.00 0.00 61.69 59.93 1a69 s THR 198 Cb -0.03 -1.20 -0.02 0.00 -1.51 0.00 0.00 72.50 69.75 1a69 s THR 198 CO 0.04 0.40 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.98 1a69 s ILE 199 N 0.71 2.22 0.08 5.08 1.01 0.18 -0.07 121.20 130.39 1a69 s ILE 199 Ca -0.13 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.51 1a69 s ILE 199 Cb -0.16 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1a69 s ILE 199 CO 0.03 0.58 -0.06 0.00 0.00 0.00 0.00 174.94 175.48 1a69 s THR 201 N -3.10 2.71 -0.26 0.00 2.01 -0.39 -0.06 115.64 116.55 1a69 s THR 201 Ca 0.06 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 61.03 1a69 s THR 201 Cb 0.02 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1a69 s THR 201 CO -0.04 0.51 2.10 -0.69 -0.69 0.00 0.00 174.62 175.80 1a69 s VAL 202 N 0.89 3.15 -2.84 3.82 1.01 -0.09 -2.23 120.40 124.11 1a69 s VAL 202 Ca -0.04 0.15 0.24 0.00 0.00 0.00 0.00 61.98 62.33 1a69 s VAL 202 Cb -0.15 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 33.18 1a69 s VAL 202 CO -0.01 -0.13 1.23 -1.54 0.00 0.00 0.00 175.10 174.64 1a69 n SER 203 N 11.39 2.85 -3.63 3.32 3.41 0.04 -1.09 113.62 129.91 1a69 n SER 203 Ca 0.28 -1.93 -0.03 0.00 -0.26 0.00 0.00 58.87 56.93 1a69 n SER 203 Cb 0.46 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1a69 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1a69 s ASP 204 N -2.04 -0.05 -0.25 4.04 1.47 -1.23 -1.41 116.67 117.20 1a69 s ASP 204 Ca 0.26 0.00 -0.01 0.00 1.18 0.00 0.00 52.55 53.98 1a69 s ASP 204 Cb 0.20 0.05 0.03 0.00 -0.34 0.00 0.00 42.92 42.86 1a69 s ASP 204 CO 0.33 -0.09 -0.07 -2.28 0.68 0.00 0.00 175.17 173.74 1a69 s HIS 205 N -2.14 3.08 0.52 2.11 2.46 -1.26 -0.26 115.29 119.80 1a69 s HIS 205 Ca 0.11 -1.64 0.17 0.00 0.47 0.00 0.00 55.06 54.17 1a69 s HIS 205 Cb -0.01 -2.04 1.30 0.00 -0.13 0.00 0.00 32.58 31.70 1a69 s HIS 205 CO -0.03 -0.75 2.14 0.82 -2.47 0.00 0.00 174.74 174.44 1a69 h ILE 206 N 6.19 0.96 0.00 0.89 2.04 -1.67 0.82 117.51 126.75 1a69 h ILE 206 Ca -0.32 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1a69 h ILE 206 Cb 1.10 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1a69 h ILE 206 CO 0.57 0.00 -0.04 0.03 0.00 0.00 0.00 178.15 178.71 1a69 h ARG 207 N 0.00 0.00 0.16 2.37 -0.00 -1.89 -3.40 114.38 111.63 1a69 h ARG 207 Ca 0.03 0.00 -0.30 0.00 -0.50 0.00 0.00 59.98 59.21 1a69 h ARG 207 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.09 1a69 h ARG 207 CO -0.00 0.42 -1.31 1.79 0.00 0.00 0.00 179.97 180.88 1a69 h THR 208 N -1.00 1.37 -0.43 2.04 1.35 -1.90 -3.48 112.91 110.86 1a69 h THR 208 Ca -0.01 -2.77 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 1a69 h THR 208 Cb 0.44 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1a69 h THR 208 CO -0.00 0.82 0.00 1.41 -0.25 0.00 0.00 175.52 177.50 1a69 n HIS 209 N -3.67 0.00 -1.99 4.73 8.25 0.29 -5.00 115.22 117.83 1a69 n HIS 209 Ca -0.12 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.95 1a69 n HIS 209 Cb 1.03 -0.73 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 1a69 n HIS 209 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1a69 n GLU 210 N -0.62 4.40 -2.52 -0.41 1.02 -1.25 -4.88 120.64 116.38 1a69 n GLU 210 Ca 0.00 -3.45 -0.36 0.00 -0.02 0.00 0.00 57.16 53.33 1a69 n GLU 210 Cb 0.36 -2.55 -0.04 0.00 -0.02 0.00 0.00 31.44 29.19 1a69 n GLU 210 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1a69 s GLN 211 N -1.57 4.12 0.73 3.49 -2.07 -1.26 -4.23 119.66 118.87 1a69 s GLN 211 Ca 0.53 1.53 -0.06 0.00 -1.82 0.00 0.00 55.36 55.54 1a69 s GLN 211 Cb 0.21 -2.51 0.09 0.00 -1.09 0.00 0.00 33.01 29.71 1a69 s GLN 211 CO -0.12 -0.18 1.03 0.95 -1.32 0.00 0.00 175.29 175.65 1a69 s THR 212 N -1.66 2.24 0.62 3.63 -4.23 -0.50 -4.99 115.64 110.75 1a69 s THR 212 Ca 0.59 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.71 1a69 s THR 212 Cb -0.22 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.72 1a69 s THR 212 CO 0.28 0.00 0.93 0.42 -0.54 0.00 0.00 174.62 175.71 1a69 s THR 213 N -3.27 3.36 0.06 3.99 -4.23 -1.26 -4.93 115.64 109.35 1a69 s THR 213 Ca 0.63 -0.04 -0.26 0.00 -1.18 0.00 0.00 61.69 60.84 1a69 s THR 213 Cb -0.09 -3.36 -0.17 0.00 1.34 0.00 0.00 72.50 70.23 1a69 s THR 213 CO 0.45 -0.38 1.56 0.00 -0.54 0.00 0.00 174.62 175.72 1a69 h ALA 214 N -0.27 -0.26 -0.89 3.99 0.00 -1.99 -1.48 119.26 118.36 1a69 h ALA 214 Ca -0.45 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.50 1a69 h ALA 214 Cb 1.27 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1a69 h ALA 214 CO 0.61 -0.58 0.57 0.00 0.00 0.00 0.00 179.25 179.85 1a69 h ALA 215 N 0.40 1.87 -2.93 0.00 0.00 -1.98 0.34 119.26 116.96 1a69 h ALA 215 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a69 h ALA 215 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a69 h ALA 215 CO 0.04 -0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1a69 n GLU 216 N -4.56 0.00 -0.69 0.00 1.02 -0.81 -1.86 120.64 113.73 1a69 n GLU 216 Ca 0.18 0.11 0.53 0.00 -0.02 0.00 0.00 57.16 57.95 1a69 n GLU 216 Cb 0.49 -1.01 0.82 0.00 -0.02 0.00 0.00 31.44 31.72 1a69 n GLU 216 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a69 h ARG 217 N 0.00 0.00 0.00 3.49 3.08 -0.96 0.77 114.38 120.76 1a69 h ARG 217 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1a69 h ARG 217 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1a69 h ARG 217 CO 0.00 0.00 -0.75 0.37 -1.07 0.00 0.00 179.97 178.52 1a69 h GLN 218 N 0.00 0.00 0.00 0.04 4.15 -0.73 -3.41 115.11 115.16 1a69 h GLN 218 Ca 0.92 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.34 1a69 h GLN 218 Cb 3.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 31.43 1a69 h GLN 218 CO -0.01 0.75 0.00 0.25 -1.93 0.00 0.00 178.83 177.89 1a69 n THR 219 N -3.55 0.00 0.09 2.39 -2.24 0.11 -4.36 114.28 106.72 1a69 n THR 219 Ca -0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1a69 n THR 219 Cb 0.75 1.39 -0.14 0.00 -2.10 0.00 0.00 70.33 70.23 1a69 n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a69 h THR 220 N 0.70 1.29 0.00 4.28 1.03 0.15 -3.42 112.91 116.95 1a69 h THR 220 Ca 0.00 -2.89 -0.64 0.00 -0.01 0.00 0.00 66.41 62.87 1a69 h THR 220 Cb 0.35 2.85 0.05 0.00 -1.07 0.00 0.00 68.15 70.33 1a69 h THR 220 CO 0.00 0.85 2.34 0.49 -0.01 0.00 0.00 175.52 179.18 1a69 n PHE 221 N -3.50 1.89 0.12 0.00 3.72 -1.26 -4.62 117.46 113.80 1a69 n PHE 221 Ca -0.13 -1.84 -0.19 0.00 -0.05 0.00 0.00 57.45 55.23 1a69 n PHE 221 Cb 1.04 -1.72 -0.15 0.00 -0.94 0.00 0.00 39.48 37.71 1a69 n PHE 221 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1a69 h ASN 222 N 7.77 0.57 -0.33 4.37 -0.26 -1.98 -3.31 115.58 122.40 1a69 h ASN 222 Ca 0.43 -0.62 0.07 0.00 -0.56 0.00 0.00 56.30 55.63 1a69 h ASN 222 Cb 0.64 -0.18 -0.08 0.00 -1.06 0.00 0.00 38.32 37.64 1a69 h ASN 222 CO 1.94 1.48 -0.22 0.44 -1.06 0.00 0.00 177.43 180.02 1a69 h ASP 223 N 0.10 -0.72 0.02 5.81 3.32 -2.00 0.16 116.42 123.12 1a69 h ASP 223 Ca -0.18 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1a69 h ASP 223 Cb 2.04 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 41.95 1a69 h ASP 223 CO 0.23 -0.25 -0.09 0.00 -1.72 0.00 0.00 179.24 177.41 1a69 h MET 224 N -0.18 0.16 -0.16 3.56 -0.00 -1.96 -2.09 114.93 114.25 1a69 h MET 224 Ca 0.17 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.82 1a69 h MET 224 Cb 0.44 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.01 1a69 h MET 224 CO -0.44 0.26 0.03 0.82 -0.00 0.00 0.00 176.91 177.59 1a69 h ILE 225 N 0.16 1.21 -0.12 -0.10 1.08 -1.14 -1.96 117.51 116.64 1a69 h ILE 225 Ca 0.03 -0.68 0.03 0.00 -0.39 0.00 0.00 64.86 63.86 1a69 h ILE 225 Cb 0.26 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1a69 h ILE 225 CO 0.01 0.20 -0.08 0.11 -0.69 0.00 0.00 178.15 177.71 1a69 h LYS 226 N 0.06 -0.09 -0.35 2.37 6.56 -0.62 -0.08 116.57 124.42 1a69 h LYS 226 Ca 0.05 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.72 1a69 h LYS 226 Cb 0.28 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 31.89 1a69 h LYS 226 CO 0.00 -0.06 -0.11 0.82 -2.06 0.00 0.00 179.45 178.05 1a69 h ILE 227 N -0.09 0.60 0.01 1.86 2.04 -1.31 0.26 117.51 120.88 1a69 h ILE 227 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1a69 h ILE 227 Cb 0.20 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1a69 h ILE 227 CO -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 177.90 1a69 h ALA 228 N 1.30 -0.09 0.03 1.87 0.00 -0.93 0.20 119.26 121.63 1a69 h ALA 228 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a69 h ALA 228 Cb 0.29 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a69 h ALA 228 CO -0.38 -0.57 -0.07 -0.07 0.00 0.00 0.00 179.25 178.16 1a69 h LEU 229 N -0.14 -0.20 -1.32 0.00 3.38 -0.46 -2.49 115.31 114.08 1a69 h LEU 229 Ca 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1a69 h LEU 229 Cb 0.18 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1a69 h LEU 229 CO -0.08 -0.11 0.22 -0.33 0.09 0.00 0.00 178.44 178.23 1a69 h GLU 230 N -0.14 0.68 -0.26 1.13 4.39 -0.36 -2.30 114.58 117.72 1a69 h GLU 230 Ca 0.02 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1a69 h GLU 230 Cb 0.16 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1a69 h GLU 230 CO -0.05 0.55 0.03 0.66 -1.16 0.00 0.00 179.01 179.04 1a69 h SER 231 N 0.69 0.35 -0.31 1.42 4.64 -0.23 -2.63 113.55 117.47 1a69 h SER 231 Ca 0.17 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1a69 h SER 231 Cb 0.10 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1a69 h SER 231 CO -0.02 0.38 0.07 0.58 -0.87 0.00 0.00 176.83 176.97 1a69 h VAL 232 N 0.37 1.22 -0.91 0.95 2.07 -0.99 -2.32 116.25 116.66 1a69 h VAL 232 Ca 0.09 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.88 1a69 h VAL 232 Cb 0.20 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1a69 h VAL 232 CO 0.00 0.25 0.59 -0.07 0.02 0.00 0.00 177.57 178.36 1a69 h LEU 233 N 0.35 0.99 -0.56 2.57 3.38 -1.43 -1.86 115.31 118.74 1a69 h LEU 233 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1a69 h LEU 233 Cb 0.31 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1a69 h LEU 233 CO 0.00 0.68 0.37 -0.07 0.09 0.00 0.00 178.44 179.51 1a69 h LEU 234 N 1.15 0.65 -2.04 1.67 4.07 -1.26 -1.62 115.31 117.94 1a69 h LEU 234 Ca 0.36 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.28 1a69 h LEU 234 Cb -0.02 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 1a69 h LEU 234 CO -0.11 0.47 -0.07 1.23 -1.08 0.00 0.00 178.44 178.88 1a69 h GLY 235 N 0.76 0.00 0.56 0.83 0.00 -0.82 -2.58 103.07 101.83 1a69 h GLY 235 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 1a69 h GLY 235 CO -0.04 0.00 -0.18 -0.55 0.00 0.00 0.00 176.54 175.77 1a69 h ASP 236 N 0.00 0.24 0.00 0.19 3.32 -0.55 -3.52 116.42 116.11 1a69 h ASP 236 Ca -0.00 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1a69 h ASP 236 Cb 0.16 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1a69 h ASP 236 CO 0.01 0.83 0.00 0.29 -1.72 0.00 0.00 179.24 178.65