#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 1.98 0.63 0.00 -4.23 -0.13 -4.99 115.64 108.90 1a69 s THR 2 Ca 0.00 -2.04 0.35 0.00 -1.18 0.00 0.00 61.69 58.82 1a69 s THR 2 Cb 0.00 -2.91 0.38 0.00 1.34 0.00 0.00 72.50 71.31 1a69 s THR 2 CO 0.00 -0.04 2.20 -0.65 -0.54 0.00 0.00 174.62 175.59 1a69 h PRO 3 N 1.85 0.00 -0.00 3.99 0.11 -2.02 -2.82 132.00 133.11 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a69 h PRO 3 CO 0.78 0.00 -0.08 0.72 -0.21 0.00 0.00 178.00 179.21 1a69 n HIS 4 N -3.43 0.00 -3.86 0.65 8.25 -1.26 -4.98 115.22 110.59 1a69 n HIS 4 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 1a69 n HIS 4 Cb 0.20 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.09 1.06 -1.51 1.59 1.01 -1.07 -4.73 121.20 116.46 1a69 s ILE 5 Ca 0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1a69 s ILE 5 Cb 0.01 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 1a69 s ILE 5 CO 0.07 -0.04 2.66 -0.46 0.00 0.00 0.00 174.94 177.17 1a69 n ASN 6 N 4.87 7.78 -3.70 3.58 0.23 -1.26 -0.96 115.26 125.79 1a69 n ASN 6 Ca -0.11 -2.79 -0.15 0.00 -0.53 0.00 0.00 54.58 51.00 1a69 n ASN 6 Cb 0.46 -1.52 -0.08 0.00 -2.08 0.00 0.00 39.78 36.57 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 1.32 1.30 0.22 -2.53 0.00 -1.26 -4.69 121.76 116.11 1a69 s ALA 7 Ca 0.61 -1.77 0.11 0.00 0.00 0.00 0.00 51.96 50.91 1a69 s ALA 7 Cb 0.17 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.62 1a69 s ALA 7 CO -0.07 -0.67 -0.21 -1.21 0.00 0.00 0.00 175.76 173.60 1a69 s GLU 8 N -3.70 1.53 0.04 0.00 0.41 -1.26 -2.28 118.70 113.44 1a69 s GLU 8 Ca 0.37 -1.60 -0.35 0.00 -0.41 0.00 0.00 54.97 52.99 1a69 s GLU 8 Cb 0.03 -1.71 -0.14 0.00 -1.78 0.00 0.00 34.13 30.53 1a69 s GLU 8 CO 0.19 0.35 1.63 -0.12 -0.49 0.00 0.00 175.26 176.82 1a69 n MET 9 N -0.07 1.87 0.00 1.61 0.00 -1.26 -1.06 117.12 118.21 1a69 n MET 9 Ca -0.10 0.68 0.00 0.00 -0.00 0.00 0.00 57.70 58.28 1a69 n MET 9 Cb 0.58 -2.44 0.00 0.00 0.00 0.00 0.00 33.22 31.36 1a69 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1a69 n GLY 10 N 3.58 2.79 0.24 -5.12 0.00 -1.26 -4.92 105.19 100.48 1a69 n GLY 10 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 0.06 0.00 -3.42 1.61 3.32 -1.47 -3.43 116.42 113.10 1a69 h ASP 11 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1a69 h ASP 11 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1a69 h ASP 11 CO 0.00 0.20 -0.67 -0.36 -1.72 0.00 0.00 179.24 176.69 1a69 s PHE 12 N -3.97 2.99 0.97 4.55 0.40 -1.26 -4.73 117.98 116.93 1a69 s PHE 12 Ca -0.02 0.01 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 1a69 s PHE 12 Cb 0.12 -1.60 0.18 0.00 0.51 0.00 0.00 43.02 42.24 1a69 s PHE 12 CO 0.62 0.45 1.22 0.00 0.70 0.00 0.00 175.22 178.21 1a69 s ALA 13 N -1.15 1.89 -0.09 5.36 0.00 -1.26 -4.93 121.76 121.58 1a69 s ALA 13 Ca 0.21 -0.92 0.30 0.00 0.00 0.00 0.00 51.96 51.56 1a69 s ALA 13 Cb -0.11 -2.88 1.19 0.00 0.00 0.00 0.00 23.12 21.32 1a69 s ALA 13 CO 0.13 -2.50 1.89 0.38 0.00 0.00 0.00 175.76 175.65 1a69 h ASP 14 N -1.70 0.00 -3.89 0.00 2.03 -1.86 -3.43 116.42 107.58 1a69 h ASP 14 Ca -0.46 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.35 1a69 h ASP 14 Cb 1.28 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.47 1a69 h ASP 14 CO 0.47 0.00 -0.81 0.54 -1.03 0.00 0.00 179.24 178.41 1a69 s VAL 15 N -3.54 1.11 -0.01 4.15 0.11 -1.26 0.16 120.40 121.11 1a69 s VAL 15 Ca 0.03 -0.54 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1a69 s VAL 15 Cb 0.09 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1a69 s VAL 15 CO 0.52 0.33 -0.08 0.54 -3.33 0.00 0.00 175.10 173.08 1a69 s VAL 16 N 0.08 0.66 -0.08 2.04 0.11 -0.60 -2.31 120.40 120.31 1a69 s VAL 16 Ca -0.03 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 58.51 1a69 s VAL 16 Cb -0.10 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 1a69 s VAL 16 CO 0.01 0.20 0.47 -0.76 -3.33 0.00 0.00 175.10 171.69 1a69 s LEU 17 N -0.02 4.34 -0.18 2.54 1.02 0.77 -1.61 118.68 125.53 1a69 s LEU 17 Ca 0.01 0.89 -0.01 0.00 0.02 0.00 0.00 54.13 55.03 1a69 s LEU 17 Cb -0.05 -2.70 0.05 0.00 0.02 0.00 0.00 46.19 43.51 1a69 s LEU 17 CO -0.00 0.09 -0.01 -0.04 0.02 0.00 0.00 176.35 176.41 1a69 s MET 18 N 0.13 1.02 0.46 1.70 -1.94 0.95 -1.45 119.30 120.16 1a69 s MET 18 Ca 0.26 -0.48 0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1a69 s MET 18 Cb -0.16 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.65 1a69 s MET 18 CO 0.12 -0.54 0.66 -1.25 -0.01 0.00 0.00 175.02 173.99 1a69 s PRO 19 N 1.74 2.90 0.03 2.03 0.04 -1.24 -1.19 135.00 139.31 1a69 s PRO 19 Ca -0.01 -0.73 -0.17 0.00 0.04 0.00 0.00 61.00 60.14 1a69 s PRO 19 Cb -0.16 -2.60 -0.32 0.00 0.04 0.00 0.00 34.50 31.45 1a69 s PRO 19 CO -0.07 -0.34 1.03 0.78 0.04 0.00 0.00 177.00 178.44 1a69 h GLY 20 N 0.41 0.61 -5.78 0.56 0.00 -1.85 -1.19 103.07 95.85 1a69 h GLY 20 Ca -0.44 -1.43 -0.59 0.00 0.00 0.00 0.00 47.33 44.87 1a69 h GLY 20 CO 0.54 1.25 0.43 -0.35 0.00 0.00 0.00 176.54 178.41 1a69 s ASP 21 N -7.41 6.83 0.46 0.19 2.15 -1.26 -1.83 116.67 115.79 1a69 s ASP 21 Ca -0.10 1.02 0.16 0.00 0.43 0.00 0.00 52.55 54.06 1a69 s ASP 21 Cb 0.04 -2.43 1.12 0.00 -0.30 0.00 0.00 42.92 41.35 1a69 s ASP 21 CO 0.92 -0.48 2.01 1.55 -0.17 0.00 0.00 175.17 179.00 1a69 h PRO 22 N 7.64 0.28 -0.28 4.34 0.13 -1.88 -0.16 132.00 142.06 1a69 h PRO 22 Ca -0.24 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1a69 h PRO 22 Cb 1.10 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1a69 h PRO 22 CO 0.86 0.19 0.05 -0.07 -0.23 0.00 0.00 178.00 178.79 1a69 h LEU 23 N 0.29 0.38 -1.04 1.56 4.07 -1.92 -1.74 115.31 116.91 1a69 h LEU 23 Ca 0.22 -0.05 -0.10 0.00 0.08 0.00 0.00 57.88 58.04 1a69 h LEU 23 Cb 0.51 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1a69 h LEU 23 CO -0.05 0.40 -0.40 0.03 -1.08 0.00 0.00 178.44 177.35 1a69 h ARG 24 N 0.41 0.16 -0.84 1.13 3.08 -1.43 -2.79 114.38 114.10 1a69 h ARG 24 Ca 0.10 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1a69 h ARG 24 Cb 0.19 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1a69 h ARG 24 CO -0.00 0.54 0.41 0.00 -1.07 0.00 0.00 179.97 179.84 1a69 h ALA 25 N 1.46 1.14 -0.45 0.04 0.00 -1.22 -1.05 119.26 119.18 1a69 h ALA 25 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1a69 h ALA 25 Cb 0.77 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a69 h ALA 25 CO 0.06 0.66 -0.16 -0.22 0.00 0.00 0.00 179.25 179.58 1a69 h LYS 26 N 1.19 0.91 -0.65 0.00 3.64 -1.40 -2.16 116.57 118.10 1a69 h LYS 26 Ca 0.29 -0.37 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1a69 h LYS 26 Cb 0.11 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1a69 h LYS 26 CO -0.04 1.03 0.43 -0.92 -2.27 0.00 0.00 179.45 177.68 1a69 h TYR 27 N 0.74 0.82 -0.29 1.91 3.20 -1.20 -1.27 116.97 120.88 1a69 h TYR 27 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1a69 h TYR 27 Cb 0.72 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1a69 h TYR 27 CO 0.05 0.52 0.09 0.82 -1.64 0.00 0.00 178.16 177.99 1a69 h ILE 28 N 0.88 1.21 -0.26 1.81 2.04 -1.10 -0.10 117.51 121.99 1a69 h ILE 28 Ca 0.24 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1a69 h ILE 28 Cb -0.10 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1a69 h ILE 28 CO -0.05 0.22 -0.07 0.00 0.00 0.00 0.00 178.15 178.25 1a69 h ALA 29 N 0.92 1.40 0.12 1.87 0.00 -1.17 0.17 119.26 122.56 1a69 h ALA 29 Ca 0.09 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 1a69 h ALA 29 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1a69 h ALA 29 CO -0.00 0.41 -1.34 0.93 0.00 0.00 0.00 179.25 179.26 1a69 h GLU 30 N 0.39 0.25 0.15 0.00 5.08 -1.09 -3.14 114.58 116.22 1a69 h GLU 30 Ca 0.08 -0.42 -0.33 0.00 -1.00 0.00 0.00 59.36 57.69 1a69 h GLU 30 Cb 0.37 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1a69 h GLU 30 CO 0.02 1.16 -1.67 1.15 -1.00 0.00 0.00 179.01 178.67 1a69 h THR 31 N 0.07 0.92 0.00 1.13 2.02 -0.88 -3.42 112.91 112.75 1a69 h THR 31 Ca -0.17 -2.44 -0.04 0.00 0.77 0.00 0.00 66.41 64.53 1a69 h THR 31 Cb 1.98 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 71.09 1a69 h THR 31 CO 0.18 0.81 -1.62 0.49 0.37 0.00 0.00 175.52 175.75 1a69 n PHE 32 N -3.70 0.00 -2.90 3.16 3.01 0.57 -5.03 117.46 112.58 1a69 n PHE 32 Ca -0.26 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 57.92 1a69 n PHE 32 Cb 1.01 -0.34 -0.02 0.00 -0.01 0.00 0.00 39.48 40.12 1a69 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1a69 s LEU 33 N -4.05 3.80 -0.03 4.37 1.02 -1.17 -4.80 118.68 117.82 1a69 s LEU 33 Ca -0.05 0.90 0.07 0.00 0.02 0.00 0.00 54.13 55.06 1a69 s LEU 33 Cb 0.07 -3.80 -0.02 0.00 0.02 0.00 0.00 46.19 42.46 1a69 s LEU 33 CO 0.52 -0.43 -0.22 -0.70 0.02 0.00 0.00 176.35 175.53 1a69 s GLU 34 N -4.24 2.26 -1.58 1.70 2.12 -0.05 -4.69 118.70 114.21 1a69 s GLU 34 Ca 0.47 -0.86 -0.14 0.00 0.36 0.00 0.00 54.97 54.80 1a69 s GLU 34 Cb -0.10 -2.15 0.10 0.00 0.26 0.00 0.00 34.13 32.24 1a69 s GLU 34 CO 0.38 0.57 0.83 -0.25 -0.54 0.00 0.00 175.26 176.24 1a69 n ASP 35 N 2.44 -3.51 -4.80 -1.70 8.00 -1.26 -1.52 116.55 114.19 1a69 n ASP 35 Ca -0.16 -0.91 -0.34 0.00 0.71 0.00 0.00 54.79 54.09 1a69 n ASP 35 Cb 0.51 -3.32 -0.03 0.00 -0.02 0.00 0.00 41.12 38.26 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 -3.38 2.87 -0.01 2.24 0.00 -1.26 -4.62 121.76 117.60 1a69 s ALA 36 Ca 0.60 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 1a69 s ALA 36 Cb -0.31 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 1a69 s ALA 36 CO 0.88 -0.31 0.03 -0.98 0.00 0.00 0.00 175.76 175.38 1a69 s ARG 37 N -3.25 0.15 0.25 0.00 1.70 0.28 -4.95 118.95 113.13 1a69 s ARG 37 Ca 0.67 -0.14 -0.30 0.00 -0.47 0.00 0.00 55.73 55.49 1a69 s ARG 37 Cb -0.16 0.06 -0.09 0.00 -0.57 0.00 0.00 34.95 34.19 1a69 s ARG 37 CO 0.20 -0.03 1.21 -2.00 -1.08 0.00 0.00 175.30 173.60 1a69 s GLU 38 N -0.45 4.49 0.00 3.89 2.12 -1.26 -1.10 118.70 126.39 1a69 s GLU 38 Ca -0.05 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.23 1a69 s GLU 38 Cb -0.03 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.18 1a69 s GLU 38 CO -0.00 -0.04 0.15 1.33 -0.54 0.00 0.00 175.26 176.16 1a69 n VAL 39 N 1.73 0.00 -3.61 3.70 0.24 0.12 -4.92 118.33 115.59 1a69 n VAL 39 Ca 0.02 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 1a69 n VAL 39 Cb 0.44 1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.35 -0.56 0.00 -1.34 2.47 -1.15 -4.28 114.94 109.73 1a69 s ASN 40 Ca 0.00 0.93 0.00 0.00 0.42 0.00 0.00 52.86 54.21 1a69 s ASN 40 Cb 0.00 0.89 0.00 0.00 -1.45 0.00 0.00 41.25 40.69 1a69 s ASN 40 CO 0.00 -0.29 0.00 -0.46 -3.72 0.00 0.00 177.10 172.63 1a69 n ASN 41 N 1.87 0.00 -4.63 -4.21 2.04 -1.26 -1.45 115.26 107.62 1a69 n ASN 41 Ca -0.14 -0.98 -0.48 0.00 -0.44 0.00 0.00 54.58 52.54 1a69 n ASN 41 Cb 0.56 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.77 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 0.18 -1.44 3.53 0.31 -1.26 -0.16 118.33 119.49 1a69 n VAL 42 Ca 0.00 -0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.13 1a69 n VAL 42 Cb 0.25 -1.23 -0.06 0.00 -0.91 0.00 0.00 33.84 31.88 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 2.81 -1.59 -0.98 5.55 1.74 -1.26 -1.13 116.66 121.80 1a69 n ARG 43 Ca 0.17 1.03 0.00 0.00 -0.77 0.00 0.00 57.85 58.27 1a69 n ARG 43 Cb 0.25 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.26 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 -0.04 0.47 3.28 -0.13 0.00 0.77 -4.94 105.19 104.60 1a69 n GLY 44 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.16 3.29 -1.63 1.61 0.00 -0.28 -4.84 117.12 113.11 1a69 n MET 45 Ca 0.00 -3.44 -0.44 0.00 0.00 0.00 0.00 57.70 53.82 1a69 n MET 45 Cb 0.08 -3.19 -0.01 0.00 0.00 0.00 0.00 33.22 30.10 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 6.21 2.40 -3.86 -0.89 4.77 -1.26 -4.25 117.00 120.13 1a69 n LEU 46 Ca 0.43 1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 57.48 1a69 n LEU 46 Cb 0.42 -1.35 -0.14 0.00 -2.33 0.00 0.00 43.42 40.02 1a69 n LEU 46 CO 0.74 -1.07 -0.32 -0.83 -1.33 0.00 0.00 177.39 174.58 1a69 s GLY 47 N -0.43 -0.02 0.06 -0.72 0.00 -0.53 -2.78 107.32 102.89 1a69 s GLY 47 Ca 0.58 0.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.39 1a69 s GLY 47 CO 0.60 0.10 0.00 -1.36 0.00 0.00 0.00 173.10 172.44 1a69 s PHE 48 N 0.04 0.48 -0.03 1.90 0.40 0.51 0.11 117.98 121.39 1a69 s PHE 48 Ca -0.00 -1.01 0.01 0.00 -0.60 0.00 0.00 56.93 55.33 1a69 s PHE 48 Cb -0.01 -0.35 0.02 0.00 0.51 0.00 0.00 43.02 43.19 1a69 s PHE 48 CO -0.00 -0.40 -0.04 0.99 0.70 0.00 0.00 175.22 176.47 1a69 s THR 49 N -3.92 0.45 0.00 0.64 2.01 -0.26 -0.85 115.64 113.71 1a69 s THR 49 Ca 0.07 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1a69 s THR 49 Cb 0.08 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.12 1a69 s THR 49 CO -0.10 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 1a69 n GLY 50 N 3.81 2.94 3.24 4.40 0.00 -0.37 -0.56 105.19 118.65 1a69 n GLY 50 Ca -0.23 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 1a69 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a69 s THR 51 N -2.95 1.36 -0.28 2.61 -4.23 -0.58 -0.54 115.64 111.02 1a69 s THR 51 Ca 0.00 -1.63 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1a69 s THR 51 Cb 0.00 -1.46 0.09 0.00 1.34 0.00 0.00 72.50 72.47 1a69 s THR 51 CO 0.00 -0.34 0.09 -0.47 -0.54 0.00 0.00 174.62 173.36 1a69 s TYR 52 N -1.86 1.33 -1.21 3.99 5.04 0.11 -0.87 117.35 123.88 1a69 s TYR 52 Ca 0.07 -1.39 -0.05 0.00 -2.44 0.00 0.00 57.07 53.25 1a69 s TYR 52 Cb -0.06 -1.42 0.01 0.00 0.35 0.00 0.00 41.96 40.84 1a69 s TYR 52 CO 0.03 -0.81 0.72 1.63 -1.34 0.00 0.00 175.55 175.79 1a69 n LYS 53 N 4.96 -5.22 0.00 4.97 5.02 -1.26 -1.91 118.16 124.72 1a69 n LYS 53 Ca -0.04 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1a69 n LYS 53 Cb 0.43 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 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 -1.56 2.40 3.73 0.72 0.00 -1.26 -5.02 105.19 104.20 1a69 n GLY 54 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.33 4.43 0.01 1.61 3.00 -0.80 -5.00 118.95 121.86 1a69 s ARG 55 Ca 0.00 0.91 -0.30 0.00 -1.00 0.00 0.00 55.73 55.33 1a69 s ARG 55 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 34.95 31.49 1a69 s ARG 55 CO 0.00 0.16 1.25 0.21 0.00 0.00 0.00 175.30 176.93 1a69 s LYS 56 N 0.44 4.36 -0.00 5.12 2.20 -1.26 0.06 119.74 130.66 1a69 s LYS 56 Ca 0.37 1.79 -0.05 0.00 -0.36 0.00 0.00 55.97 57.72 1a69 s LYS 56 Cb -0.18 -3.47 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1a69 s LYS 56 CO 0.19 -0.41 0.09 0.42 -0.36 0.00 0.00 175.35 175.28 1a69 s ILE 57 N 1.80 0.07 0.17 5.43 1.01 0.29 -4.71 121.20 125.27 1a69 s ILE 57 Ca 0.59 -0.57 0.11 0.00 0.00 0.00 0.00 60.65 60.77 1a69 s ILE 57 Cb -0.28 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1a69 s ILE 57 CO 0.26 -0.32 -0.21 -0.44 0.00 0.00 0.00 174.94 174.23 1a69 s SER 58 N -1.05 3.62 -0.03 3.58 0.01 -0.98 -1.24 113.70 117.62 1a69 s SER 58 Ca -0.11 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.38 1a69 s SER 58 Cb -0.07 -0.37 0.03 0.00 0.21 0.00 0.00 66.02 65.82 1a69 s SER 58 CO 0.01 0.13 0.05 0.54 0.41 0.00 0.00 173.24 174.38 1a69 s VAL 59 N -1.53 -0.05 -0.21 3.43 0.11 -0.03 -0.16 120.40 121.96 1a69 s VAL 59 Ca 0.20 0.17 -0.25 0.00 -2.93 0.00 0.00 61.98 59.17 1a69 s VAL 59 Cb -0.09 -0.11 0.07 0.00 -1.53 0.00 0.00 36.38 34.72 1a69 s VAL 59 CO 0.10 0.07 0.68 -0.32 -3.33 0.00 0.00 175.10 172.31 1a69 s MET 60 N 0.89 0.86 0.77 1.54 -2.45 -0.53 -0.36 119.30 120.02 1a69 s MET 60 Ca -0.07 0.80 -0.11 0.00 -1.25 0.00 0.00 55.69 55.05 1a69 s MET 60 Cb -0.10 0.41 0.06 0.00 1.25 0.00 0.00 34.83 36.45 1a69 s MET 60 CO -0.03 -0.15 1.11 0.20 1.05 0.00 0.00 175.02 177.20 1a69 s GLY 61 N 0.02 1.80 0.00 2.11 0.00 -1.12 -3.60 107.32 106.53 1a69 s GLY 61 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1a69 s GLY 61 CO 0.03 0.76 0.01 -2.39 0.00 0.00 0.00 173.10 171.51 1a69 n HIS 62 N -3.39 0.00 -1.77 1.90 1.44 -0.45 -4.89 115.22 108.05 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 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 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 0.85 -2.32 3.66 -1.39 0.00 -0.76 -3.26 105.19 101.97 1a69 n GLY 63 Ca 0.00 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.46 3.52 0.00 1.61 1.00 -1.26 -4.72 119.30 119.00 1a69 s MET 64 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 55.69 55.32 1a69 s MET 64 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 34.83 31.81 1a69 s MET 64 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.02 175.91 1a69 n GLY 65 N 2.86 1.51 0.20 -0.03 0.00 -1.25 -4.43 105.19 104.06 1a69 n GLY 65 Ca -0.18 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.96 -0.61 2.04 -1.75 -2.30 117.51 114.97 1a69 h ILE 66 Ca 0.00 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1a69 h ILE 66 Cb 0.00 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1a69 h ILE 66 CO 0.00 0.11 0.63 -0.65 0.00 0.00 0.00 178.15 178.24 1a69 h PRO 67 N 0.59 1.27 0.32 2.37 0.11 -1.90 0.26 132.00 135.02 1a69 h PRO 67 Ca 0.20 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1a69 h PRO 67 Cb 0.02 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 30.84 1a69 h PRO 67 CO -0.09 0.85 -0.15 1.03 -0.21 0.00 0.00 178.00 179.43 1a69 h SER 68 N 1.31 -0.36 0.05 -2.05 0.87 -1.72 -3.04 113.55 108.60 1a69 h SER 68 Ca 0.35 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1a69 h SER 68 Cb -0.14 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1a69 h SER 68 CO -0.07 -0.01 -0.07 0.00 -0.53 0.00 0.00 176.83 176.14 1a69 h SER 70 N 0.07 0.57 0.05 0.00 0.02 -0.91 -0.90 113.55 112.45 1a69 h SER 70 Ca 0.02 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1a69 h SER 70 Cb 0.17 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1a69 h SER 70 CO 0.01 0.58 -0.03 0.40 -1.14 0.00 0.00 176.83 176.65 1a69 h ILE 71 N 0.61 1.22 -0.08 3.27 2.04 -1.31 -2.48 117.51 120.77 1a69 h ILE 71 Ca 0.14 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1a69 h ILE 71 Cb 0.24 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1a69 h ILE 71 CO -0.00 0.23 0.02 1.88 0.00 0.00 0.00 178.15 180.28 1a69 h TYR 72 N -0.49 0.13 -0.59 1.37 0.05 -1.47 -2.25 116.97 113.73 1a69 h TYR 72 Ca -0.01 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.79 1a69 h TYR 72 Cb 0.44 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 1a69 h TYR 72 CO 0.06 0.30 0.35 1.79 -1.05 0.00 0.00 178.16 179.61 1a69 h THR 73 N -0.07 1.03 0.10 -2.88 1.35 -1.27 -0.87 112.91 110.31 1a69 h THR 73 Ca 0.03 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1a69 h THR 73 Cb 0.23 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1a69 h THR 73 CO -0.00 0.12 -0.07 0.50 -0.25 0.00 0.00 175.52 175.83 1a69 h LYS 74 N 0.67 -0.16 -0.52 4.72 3.11 -1.39 -2.05 116.57 120.94 1a69 h LYS 74 Ca 0.25 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.13 1a69 h LYS 74 Cb 0.07 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.30 1a69 h LYS 74 CO -0.12 -0.11 0.30 0.93 -2.81 0.00 0.00 179.45 177.64 1a69 h GLU 75 N -0.17 0.57 -0.27 1.90 5.08 -1.12 -1.13 114.58 119.45 1a69 h GLU 75 Ca -0.01 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1a69 h GLU 75 Cb 0.15 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1a69 h GLU 75 CO 0.00 0.38 0.02 -0.07 -1.00 0.00 0.00 179.01 178.35 1a69 h LEU 76 N 0.59 -0.05 0.78 1.33 3.38 -1.01 0.12 115.31 120.45 1a69 h LEU 76 Ca 0.22 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1a69 h LEU 76 Cb 0.06 0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1a69 h LEU 76 CO -0.12 0.01 -0.37 0.40 0.09 0.00 0.00 178.44 178.45 1a69 h ILE 77 N 0.11 0.14 -0.40 1.22 2.04 -1.06 -0.54 117.51 119.02 1a69 h ILE 77 Ca 0.13 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 1a69 h ILE 77 Cb 0.15 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1a69 h ILE 77 CO -0.19 0.01 -0.12 0.71 0.00 0.00 0.00 178.15 178.56 1a69 h THR 78 N -1.17 1.28 0.00 -0.27 1.35 -1.19 -3.10 112.91 109.81 1a69 h THR 78 Ca -0.11 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1a69 h THR 78 Cb 0.82 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1a69 h THR 78 CO 0.18 0.41 -1.43 0.47 -0.25 0.00 0.00 175.52 174.90 1a69 n ASP 79 N -4.30 0.60 -0.23 5.36 8.00 0.41 -4.57 116.55 121.82 1a69 n ASP 79 Ca -0.01 -0.53 0.03 0.00 0.71 0.00 0.00 54.79 54.98 1a69 n ASP 79 Cb 0.38 1.45 0.04 0.00 -0.02 0.00 0.00 41.12 42.96 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 -1.83 0.07 -1.80 1.24 3.01 -0.24 -4.58 117.46 113.34 1a69 n PHE 80 Ca 0.00 -0.18 -0.15 0.00 1.01 0.00 0.00 57.45 58.14 1a69 n PHE 80 Cb 0.43 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 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 0.17 0.75 3.72 1.37 0.00 -1.07 -4.62 105.19 105.52 1a69 n GLY 81 Ca 0.04 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.63 3.32 -0.23 1.61 1.01 -1.04 -4.76 120.40 117.68 1a69 s VAL 82 Ca 0.00 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.04 1a69 s VAL 82 Cb 0.00 -3.63 -0.20 0.00 0.00 0.00 0.00 36.38 32.56 1a69 s VAL 82 CO 0.00 0.09 -0.10 0.29 0.00 0.00 0.00 175.10 175.38 1a69 n LYS 83 N 3.62 0.69 -4.68 2.72 4.76 0.12 -4.51 118.16 120.88 1a69 n LYS 83 Ca 0.10 0.08 -0.23 0.00 -2.87 0.00 0.00 58.31 55.39 1a69 n LYS 83 Cb 0.43 -1.51 -0.15 0.00 -1.84 0.00 0.00 35.03 31.96 1a69 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a69 s LYS 84 N -2.50 1.22 -0.09 1.97 1.02 -0.74 -1.45 119.74 119.19 1a69 s LYS 84 Ca -0.24 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.25 1a69 s LYS 84 Cb 0.08 -1.17 0.01 0.00 -0.52 0.00 0.00 37.83 36.23 1a69 s LYS 84 CO 0.68 0.30 -0.14 0.42 -0.92 0.00 0.00 175.35 175.70 1a69 s ILE 85 N -0.30 1.33 -0.23 2.17 1.01 0.05 -1.56 121.20 123.67 1a69 s ILE 85 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1a69 s ILE 85 Cb -0.06 -1.21 0.05 0.00 0.01 0.00 0.00 42.46 41.25 1a69 s ILE 85 CO -0.00 0.40 -0.09 -0.63 0.00 0.00 0.00 174.94 174.62 1a69 s ILE 86 N 0.81 1.80 -0.09 2.92 1.01 -0.64 -0.86 121.20 126.16 1a69 s ILE 86 Ca -0.11 -1.30 -0.20 0.00 0.00 0.00 0.00 60.65 59.04 1a69 s ILE 86 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1a69 s ILE 86 CO 0.02 0.02 0.56 -0.60 0.00 0.00 0.00 174.94 174.94 1a69 s ARG 87 N 1.29 4.36 -0.22 2.79 3.52 0.11 -0.04 118.95 130.76 1a69 s ARG 87 Ca -0.05 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.17 1a69 s ARG 87 Cb -0.18 -3.43 0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1a69 s ARG 87 CO -0.07 0.16 -0.09 0.14 -0.81 0.00 0.00 175.30 174.63 1a69 s VAL 88 N 0.57 1.71 0.00 7.11 -7.23 -0.33 -0.11 120.40 122.11 1a69 s VAL 88 Ca 0.30 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1a69 s VAL 88 Cb -0.16 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1a69 s VAL 88 CO 0.14 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 1a69 n GLY 89 N 4.64 3.60 3.76 2.32 0.00 -0.67 -4.12 105.19 114.72 1a69 n GLY 89 Ca -0.14 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 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 0.86 4.87 0.15 1.61 1.04 -1.26 -1.10 113.70 119.86 1a69 s SER 90 Ca 0.00 -0.67 -0.16 0.00 0.48 0.00 0.00 55.95 55.60 1a69 s SER 90 Cb 0.00 -0.83 0.03 0.00 0.10 0.00 0.00 66.02 65.32 1a69 s SER 90 CO 0.00 -0.28 0.43 0.00 0.98 0.00 0.00 173.24 174.37 1a69 s GLY 92 N -2.84 2.01 0.04 0.00 0.00 -0.45 -0.65 107.32 105.45 1a69 s GLY 92 Ca 0.06 -0.71 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 1a69 s GLY 92 CO -0.08 -0.38 0.33 0.00 0.00 0.00 0.00 173.10 172.96 1a69 s ALA 93 N -0.78 3.79 -0.02 3.20 0.00 0.56 -0.39 121.76 128.13 1a69 s ALA 93 Ca 0.13 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1a69 s ALA 93 Cb -0.12 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1a69 s ALA 93 CO 0.03 0.61 0.02 1.33 0.00 0.00 0.00 175.76 177.75 1a69 n VAL 94 N 1.02 0.10 -2.58 0.00 0.24 -1.26 0.80 118.33 116.64 1a69 n VAL 94 Ca -0.10 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1a69 n VAL 94 Cb 0.53 -0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.43 1a69 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1a69 s LEU 95 N -3.80 4.36 0.21 1.34 1.02 -1.26 -4.78 118.68 115.77 1a69 s LEU 95 Ca -0.01 1.80 -0.09 0.00 0.02 0.00 0.00 54.13 55.85 1a69 s LEU 95 Cb 0.01 -3.57 0.28 0.00 0.02 0.00 0.00 46.19 42.92 1a69 s LEU 95 CO 0.10 -0.37 1.77 -0.65 0.02 0.00 0.00 176.35 177.22 1a69 h PRO 96 N 6.85 0.52 0.00 1.29 0.10 -1.98 -1.68 132.00 137.10 1a69 h PRO 96 Ca -0.40 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.66 1a69 h PRO 96 Cb 1.21 -0.12 0.00 0.00 0.10 0.00 0.00 31.00 32.19 1a69 h PRO 96 CO 0.78 0.34 0.00 1.12 0.10 0.00 0.00 178.00 180.35 1a69 h HIS 97 N 0.54 0.00 -3.30 0.65 2.07 -2.03 -3.42 115.15 109.66 1a69 h HIS 97 Ca 0.31 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 57.27 1a69 h HIS 97 Cb 0.31 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.24 1a69 h HIS 97 CO -0.12 0.00 1.05 0.08 -3.07 0.00 0.00 177.93 175.87 1a69 s VAL 98 N -3.58 3.94 0.33 6.12 1.01 -0.63 -4.99 120.40 122.59 1a69 s VAL 98 Ca 0.02 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 1a69 s VAL 98 Cb 0.08 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1a69 s VAL 98 CO 0.55 -0.86 0.53 -0.54 0.00 0.00 0.00 175.10 174.78 1a69 s LYS 99 N 4.94 3.50 0.68 2.72 3.01 -1.26 -4.81 119.74 128.52 1a69 s LYS 99 Ca 0.58 -0.31 -0.17 0.00 -1.01 0.00 0.00 55.97 55.06 1a69 s LYS 99 Cb -0.12 -2.68 0.00 0.00 -1.01 0.00 0.00 37.83 34.02 1a69 s LYS 99 CO 0.32 0.18 1.25 1.28 0.51 0.00 0.00 175.35 178.89 1a69 n LEU 100 N -1.60 5.59 0.00 3.17 4.77 -1.26 -1.97 117.00 125.70 1a69 n LEU 100 Ca -0.05 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1a69 n LEU 100 Cb 0.56 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1a69 n LEU 100 CO 0.49 -1.19 0.00 -1.14 -1.33 0.00 0.00 177.39 174.21 1a69 n ARG 101 N -2.08 0.00 -2.19 3.23 0.63 -0.08 -4.95 116.66 111.23 1a69 n ARG 101 Ca 0.15 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.72 1a69 n ARG 101 Cb 0.48 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.76 1a69 n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1a69 s ASP 102 N -3.08 5.89 -0.24 6.15 1.11 -0.83 -4.63 116.67 121.05 1a69 s ASP 102 Ca 0.00 2.33 -0.11 0.00 0.18 0.00 0.00 52.55 54.96 1a69 s ASP 102 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1a69 s ASP 102 CO 0.00 -1.11 0.17 -0.69 1.18 0.00 0.00 175.17 174.72 1a69 s VAL 103 N -1.57 5.36 -0.06 -1.27 1.01 -1.26 -0.28 120.40 122.32 1a69 s VAL 103 Ca 0.68 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.91 1a69 s VAL 103 Cb -0.29 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1a69 s VAL 103 CO 0.34 0.35 -0.24 0.68 0.00 0.00 0.00 175.10 176.23 1a69 s VAL 104 N 1.03 2.13 -0.24 2.92 -7.23 0.11 -1.13 120.40 117.99 1a69 s VAL 104 Ca 0.08 -1.04 -0.04 0.00 -1.81 0.00 0.00 61.98 59.17 1a69 s VAL 104 Cb -0.13 -1.78 -0.00 0.00 0.56 0.00 0.00 36.38 35.03 1a69 s VAL 104 CO 0.04 0.57 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.75 1a69 s ILE 105 N -0.13 3.49 -0.92 -0.62 1.01 0.12 -0.52 121.20 123.62 1a69 s ILE 105 Ca -0.04 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.83 1a69 s ILE 105 Cb -0.14 -2.64 0.06 0.00 0.01 0.00 0.00 42.46 39.75 1a69 s ILE 105 CO 0.04 0.35 1.32 -0.83 0.00 0.00 0.00 174.94 175.82 1a69 s GLY 106 N 1.48 1.30 0.28 6.18 0.00 -0.76 -1.80 107.32 114.00 1a69 s GLY 106 Ca 0.05 -2.12 0.03 0.00 0.00 0.00 0.00 44.72 42.68 1a69 s GLY 106 CO -0.02 2.52 1.72 1.98 0.00 0.00 0.00 173.10 179.30 1a69 h MET 107 N 9.67 0.43 -4.64 2.90 4.05 -1.14 -3.40 114.93 122.79 1a69 h MET 107 Ca 0.05 -0.17 -0.28 0.00 -0.28 0.00 0.00 59.70 59.02 1a69 h MET 107 Cb 1.03 -0.02 -0.15 0.00 -0.80 0.00 0.00 31.60 31.66 1a69 h MET 107 CO 1.33 0.68 -0.59 0.20 0.23 0.00 0.00 176.91 178.76 1a69 s GLY 108 N -4.05 1.61 -0.21 1.39 0.00 -1.17 -1.18 107.32 103.70 1a69 s GLY 108 Ca -0.06 -1.77 -0.04 0.00 0.00 0.00 0.00 44.72 42.85 1a69 s GLY 108 CO 0.79 -1.41 0.37 0.00 0.00 0.00 0.00 173.10 172.85 1a69 s ALA 109 N -4.02 -1.02 0.84 3.20 0.00 -0.03 -1.98 121.76 118.75 1a69 s ALA 109 Ca 0.39 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 1a69 s ALA 109 Cb 0.06 -1.46 0.10 0.00 0.00 0.00 0.00 23.12 21.81 1a69 s ALA 109 CO 0.15 -1.01 1.17 0.00 0.00 0.00 0.00 175.76 176.07 1a69 s THR 111 N -3.51 0.00 -1.61 0.00 -1.32 -1.26 -0.46 115.64 107.48 1a69 s THR 111 Ca 0.63 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.25 1a69 s THR 111 Cb -0.12 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.09 1a69 s THR 111 CO 0.50 0.00 1.09 -0.90 -2.21 0.00 0.00 174.62 173.11 1a69 n ASP 112 N -0.03 2.57 -4.85 8.08 5.68 -1.22 -4.99 116.55 121.79 1a69 n ASP 112 Ca -0.05 -1.75 -0.31 0.00 -0.50 0.00 0.00 54.79 52.18 1a69 n ASP 112 Cb 0.60 -0.11 0.03 0.00 -1.14 0.00 0.00 41.12 40.50 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 -1.14 5.90 0.00 -1.12 0.15 -1.26 -4.90 113.70 111.33 1a69 s SER 113 Ca 0.22 1.46 0.20 0.00 0.70 0.00 0.00 55.95 58.53 1a69 s SER 113 Cb 0.13 -2.44 0.13 0.00 -1.71 0.00 0.00 66.02 62.13 1a69 s SER 113 CO 0.19 -1.09 1.12 1.17 1.20 0.00 0.00 173.24 175.83 1a69 n LYS 114 N -2.89 1.77 -0.17 5.44 4.81 -1.26 -4.65 118.16 121.21 1a69 n LYS 114 Ca 0.07 -1.57 -0.01 0.00 -0.87 0.00 0.00 58.31 55.92 1a69 n LYS 114 Cb 0.54 -1.39 0.07 0.00 0.02 0.00 0.00 35.03 34.27 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 3.67 0.63 0.00 3.15 -1.51 -2.00 -2.10 116.25 118.09 1a69 h VAL 115 Ca 0.00 -0.06 -0.07 0.00 -1.23 0.00 0.00 66.70 65.34 1a69 h VAL 115 Cb 0.82 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1a69 h VAL 115 CO 0.00 0.03 -0.33 0.78 -1.23 0.00 0.00 177.57 176.82 1a69 h ASN 116 N 0.17 0.00 0.11 4.19 -0.26 -1.94 -2.63 115.58 115.21 1a69 h ASN 116 Ca 0.27 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.84 1a69 h ASN 116 Cb 0.40 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 1a69 h ASN 116 CO -0.40 0.33 -0.61 0.03 -1.06 0.00 0.00 177.43 175.72 1a69 h ARG 117 N 0.00 0.50 -0.41 0.81 3.08 -1.69 0.29 114.38 116.95 1a69 h ARG 117 Ca -0.00 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.63 1a69 h ARG 117 Cb 0.77 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1a69 h ARG 117 CO 0.04 0.95 -0.08 0.82 -1.07 0.00 0.00 179.97 180.63 1a69 h ILE 118 N 0.37 1.25 0.17 2.04 2.04 -1.14 0.25 117.51 122.49 1a69 h ILE 118 Ca -0.01 -1.08 -0.31 0.00 1.00 0.00 0.00 64.86 64.46 1a69 h ILE 118 Cb 1.16 1.02 0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1a69 h ILE 118 CO 0.11 0.37 -1.32 0.03 0.00 0.00 0.00 178.15 177.34 1a69 h ARG 119 N 0.65 0.53 -1.10 2.37 3.08 -1.25 -3.37 114.38 115.29 1a69 h ARG 119 Ca 0.12 -0.80 -0.41 0.00 0.07 0.00 0.00 59.98 58.96 1a69 h ARG 119 Cb 0.52 0.28 -0.22 0.00 0.08 0.00 0.00 29.97 30.64 1a69 h ARG 119 CO 0.03 1.37 0.52 0.34 -1.07 0.00 0.00 179.97 181.16 1a69 n PHE 120 N -3.72 2.23 -2.98 3.04 7.35 0.98 -4.91 117.46 119.45 1a69 n PHE 120 Ca -0.14 -1.81 -0.19 0.00 -0.76 0.00 0.00 57.45 54.55 1a69 n PHE 120 Cb 1.03 -0.90 0.00 0.00 0.35 0.00 0.00 39.48 39.96 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 -0.51 -3.25 -1.09 -4.13 5.02 -1.13 -1.05 118.16 112.02 1a69 n LYS 121 Ca 0.43 0.61 -0.03 0.00 -2.02 0.00 0.00 58.31 57.30 1a69 n LYS 121 Cb 1.08 -5.31 -0.01 0.00 -0.02 0.00 0.00 35.03 30.77 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 -2.17 -4.35 -3.18 4.39 2.03 0.88 -5.01 116.55 109.14 1a69 n ASP 122 Ca -0.08 0.08 -0.09 0.00 0.52 0.00 0.00 54.79 55.21 1a69 n ASP 122 Cb 0.58 -2.12 0.04 0.00 -0.72 0.00 0.00 41.12 38.90 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 -2.59 -2.95 -3.17 -0.67 8.25 -0.21 -5.01 115.22 108.87 1a69 n HIS 123 Ca -0.03 -0.84 -0.43 0.00 -0.26 0.00 0.00 57.72 56.16 1a69 n HIS 123 Cb 0.26 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.66 6.25 -0.29 0.41 1.11 -1.26 -4.66 116.67 115.56 1a69 s ASP 124 Ca 0.28 -0.71 -0.13 0.00 0.18 0.00 0.00 52.55 52.17 1a69 s ASP 124 Cb -0.02 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.65 1a69 s ASP 124 CO 0.18 -0.80 0.28 0.12 1.18 0.00 0.00 175.17 176.13 1a69 s PHE 125 N 2.59 3.23 -0.63 4.23 5.36 -1.26 -5.02 117.98 126.47 1a69 s PHE 125 Ca 0.17 0.17 -0.28 0.00 -0.96 0.00 0.00 56.93 56.03 1a69 s PHE 125 Cb -0.17 -2.50 0.03 0.00 -0.34 0.00 0.00 43.02 40.03 1a69 s PHE 125 CO 0.14 -0.24 1.25 0.00 -1.46 0.00 0.00 175.22 174.91 1a69 s ALA 126 N 1.90 2.88 -0.57 11.12 0.00 -1.26 -4.95 121.76 130.89 1a69 s ALA 126 Ca 0.10 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 1a69 s ALA 126 Cb -0.16 -4.12 -0.01 0.00 0.00 0.00 0.00 23.12 18.83 1a69 s ALA 126 CO 0.11 -2.92 1.66 0.00 0.00 0.00 0.00 175.76 174.61 1a69 s ALA 127 N 5.39 2.52 0.31 0.00 0.00 -1.26 -4.97 121.76 123.75 1a69 s ALA 127 Ca 0.42 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.88 1a69 s ALA 127 Cb -0.08 -4.20 -0.06 0.00 0.00 0.00 0.00 23.12 18.79 1a69 s ALA 127 CO 0.22 -3.36 -0.13 0.96 0.00 0.00 0.00 175.76 173.45 1a69 s ILE 128 N 7.52 2.21 0.65 0.00 -4.36 -1.26 -0.85 121.20 125.12 1a69 s ILE 128 Ca 0.61 -2.27 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1a69 s ILE 128 Cb -0.13 -2.46 0.10 0.00 1.25 0.00 0.00 42.46 41.21 1a69 s ILE 128 CO 0.23 -0.31 0.90 0.00 0.24 0.00 0.00 174.94 176.01 1a69 s ALA 129 N -2.65 3.95 0.02 2.27 0.00 -0.32 -4.81 121.76 120.21 1a69 s ALA 129 Ca 0.31 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 1a69 s ALA 129 Cb -0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1a69 s ALA 129 CO 0.15 -1.18 1.05 0.34 0.00 0.00 0.00 175.76 176.12 1a69 s ASP 130 N -4.65 7.28 0.16 0.00 2.15 -0.69 -4.95 116.67 115.98 1a69 s ASP 130 Ca 0.63 1.78 -0.16 0.00 0.43 0.00 0.00 52.55 55.23 1a69 s ASP 130 Cb -0.06 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.07 1a69 s ASP 130 CO 0.42 -0.32 1.74 0.15 -0.17 0.00 0.00 175.17 176.99 1a69 h PHE 131 N 6.77 0.20 -0.65 -5.34 3.57 -1.96 -1.94 116.94 117.58 1a69 h PHE 131 Ca -0.41 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.13 1a69 h PHE 131 Cb 1.22 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1a69 h PHE 131 CO 0.68 0.07 0.41 -0.44 -2.23 0.00 0.00 178.31 176.79 1a69 h ASP 132 N 0.26 0.68 -0.74 0.41 3.32 -1.99 -0.77 116.42 117.58 1a69 h ASP 132 Ca 0.18 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1a69 h ASP 132 Cb 0.18 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1a69 h ASP 132 CO -0.20 0.47 0.43 0.24 -1.72 0.00 0.00 179.24 178.46 1a69 h MET 133 N 0.81 1.03 -0.07 3.56 2.86 -1.86 0.61 114.93 121.87 1a69 h MET 133 Ca 0.26 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1a69 h MET 133 Cb 0.00 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 1a69 h MET 133 CO -0.10 0.75 0.00 0.28 1.06 0.00 0.00 176.91 178.90 1a69 h VAL 134 N 1.05 1.24 -0.38 -2.22 2.07 -0.59 -1.93 116.25 115.48 1a69 h VAL 134 Ca 0.27 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1a69 h VAL 134 Cb -0.00 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1a69 h VAL 134 CO -0.05 0.20 0.18 -0.09 0.02 0.00 0.00 177.57 177.83 1a69 h ARG 135 N -0.15 0.35 -0.68 1.57 2.43 -0.81 -1.13 114.38 115.96 1a69 h ARG 135 Ca 0.02 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1a69 h ARG 135 Cb 0.32 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1a69 h ARG 135 CO 0.00 0.23 0.42 -0.91 -1.51 0.00 0.00 179.97 178.21 1a69 h ASN 136 N 0.36 0.68 -0.75 -3.80 2.35 -0.83 -1.08 115.58 112.52 1a69 h ASN 136 Ca 0.16 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1a69 h ASN 136 Cb 0.09 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1a69 h ASN 136 CO -0.13 0.47 0.30 0.00 -1.65 0.00 0.00 177.43 176.42 1a69 h ALA 137 N 1.30 0.97 -0.60 -0.83 0.00 -0.88 -0.66 119.26 118.56 1a69 h ALA 137 Ca 0.28 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1a69 h ALA 137 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1a69 h ALA 137 CO -0.12 0.59 0.16 0.28 0.00 0.00 0.00 179.25 180.16 1a69 h VAL 138 N 1.08 1.25 -0.29 0.00 2.07 -0.72 -1.63 116.25 118.01 1a69 h VAL 138 Ca 0.25 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1a69 h VAL 138 Cb 0.21 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1a69 h VAL 138 CO -0.02 0.33 -0.01 0.44 0.02 0.00 0.00 177.57 178.33 1a69 h ASP 139 N 0.87 0.50 -0.57 0.57 3.32 -0.91 -1.94 116.42 118.26 1a69 h ASP 139 Ca 0.19 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1a69 h ASP 139 Cb 0.34 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1a69 h ASP 139 CO -0.00 0.70 0.37 0.00 -1.72 0.00 0.00 179.24 178.58 1a69 h ALA 140 N 0.82 0.73 -0.04 3.45 0.00 -1.02 -0.01 119.26 123.20 1a69 h ALA 140 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a69 h ALA 140 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1a69 h ALA 140 CO 0.02 0.12 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 1a69 h ALA 141 N 1.23 0.01 -0.56 0.00 0.00 -1.21 -2.03 119.26 116.70 1a69 h ALA 141 Ca 0.22 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1a69 h ALA 141 Cb -0.04 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1a69 h ALA 141 CO -0.07 -0.51 0.20 -0.22 0.00 0.00 0.00 179.25 178.65 1a69 h LYS 142 N -0.02 0.37 0.00 0.00 3.64 -0.91 0.14 116.57 119.78 1a69 h LYS 142 Ca 0.02 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a69 h LYS 142 Cb 0.06 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1a69 h LYS 142 CO -0.05 0.24 -0.01 0.00 -2.27 0.00 0.00 179.45 177.37 1a69 h ALA 143 N 1.39 1.51 -0.12 5.00 0.00 -0.56 -0.09 119.26 126.39 1a69 h ALA 143 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a69 h ALA 143 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a69 h ALA 143 CO -0.29 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.25 1a69 n LEU 144 N -3.83 2.52 0.00 0.00 4.77 0.09 -4.93 117.00 115.62 1a69 n LEU 144 Ca -0.03 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 1a69 n LEU 144 Cb 0.09 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1a69 n LEU 144 CO 0.27 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1a69 n GLY 145 N 1.31 0.54 3.86 -0.72 0.00 -0.05 -5.04 105.19 105.09 1a69 n GLY 145 Ca 0.17 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 5.45 -0.86 -0.61 1.09 0.26 -4.97 121.20 119.56 1a69 s ILE 146 Ca 0.00 0.27 -0.10 0.00 -1.10 0.00 0.00 60.65 59.72 1a69 s ILE 146 Cb 0.00 -3.44 0.22 0.00 -1.06 0.00 0.00 42.46 38.18 1a69 s ILE 146 CO 0.00 0.60 0.79 -0.62 -0.10 0.00 0.00 174.94 175.61 1a69 s ASP 147 N -0.88 6.57 0.36 3.58 -1.08 -1.26 -3.24 116.67 120.72 1a69 s ASP 147 Ca 0.15 -3.01 -0.25 0.00 -0.52 0.00 0.00 52.55 48.93 1a69 s ASP 147 Cb -0.12 -2.13 -0.10 0.00 -1.46 0.00 0.00 42.92 39.11 1a69 s ASP 147 CO 0.04 -0.44 1.00 0.00 0.52 0.00 0.00 175.17 176.29 1a69 s ALA 148 N -0.32 3.15 -0.18 3.66 0.00 -1.26 -4.66 121.76 122.15 1a69 s ALA 148 Ca 0.21 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.71 1a69 s ALA 148 Cb -0.11 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1a69 s ALA 148 CO -0.08 -0.03 0.09 1.03 0.00 0.00 0.00 175.76 176.77 1a69 s ARG 149 N -2.31 4.03 -0.21 0.00 0.52 -0.28 -4.96 118.95 115.73 1a69 s ARG 149 Ca 0.54 -0.28 -0.05 0.00 -0.52 0.00 0.00 55.73 55.42 1a69 s ARG 149 Cb -0.20 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 1a69 s ARG 149 CO 0.26 0.32 -0.00 0.08 0.02 0.00 0.00 175.30 175.97 1a69 s VAL 150 N 0.27 3.83 0.00 3.52 1.01 -1.26 0.11 120.40 127.88 1a69 s VAL 150 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1a69 s VAL 150 Cb -0.12 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1a69 s VAL 150 CO -0.01 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1a69 n GLY 151 N 4.50 1.69 3.85 4.51 0.00 -0.74 -4.94 105.19 114.05 1a69 n GLY 151 Ca -0.17 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 6.72 0.34 1.61 0.01 -1.26 -0.53 114.94 123.82 1a69 s ASN 152 Ca 0.00 0.86 0.08 0.00 -0.71 0.00 0.00 52.86 53.10 1a69 s ASN 152 Cb 0.00 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 1a69 s ASN 152 CO 0.00 0.27 0.10 -0.76 -1.51 0.00 0.00 177.10 175.20 1a69 s LEU 153 N -1.41 3.18 -0.21 0.60 1.43 -0.84 -0.39 118.68 121.05 1a69 s LEU 153 Ca 0.27 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1a69 s LEU 153 Cb -0.15 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.49 1a69 s LEU 153 CO 0.15 -0.28 -0.08 0.12 0.23 0.00 0.00 176.35 176.50 1a69 s PHE 154 N -2.45 2.29 -0.51 0.29 2.19 0.10 -0.05 117.98 119.84 1a69 s PHE 154 Ca 0.37 -1.57 -0.20 0.00 0.33 0.00 0.00 56.93 55.86 1a69 s PHE 154 Cb -0.02 -1.56 0.05 0.00 -1.31 0.00 0.00 43.02 40.18 1a69 s PHE 154 CO 0.22 -0.73 0.68 -1.12 1.83 0.00 0.00 175.22 176.09 1a69 s SER 155 N 1.43 6.25 0.11 6.13 0.01 0.39 -1.21 113.70 126.82 1a69 s SER 155 Ca -0.03 -0.77 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 1a69 s SER 155 Cb -0.17 -2.32 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 1a69 s SER 155 CO -0.07 -0.94 0.41 0.00 0.41 0.00 0.00 173.24 173.05 1a69 s ALA 156 N 2.87 3.72 -0.03 1.44 0.00 0.09 -3.38 121.76 126.48 1a69 s ALA 156 Ca 0.18 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1a69 s ALA 156 Cb -0.18 -2.26 -0.24 0.00 0.00 0.00 0.00 23.12 20.45 1a69 s ALA 156 CO 0.14 0.58 0.72 -0.44 0.00 0.00 0.00 175.76 176.76 1a69 h ASP 157 N 3.34 0.10 -3.55 0.00 5.19 -1.90 -3.40 116.42 116.20 1a69 h ASP 157 Ca -0.48 -0.19 -0.70 0.00 -0.62 0.00 0.00 57.03 55.04 1a69 h ASP 157 Cb 1.18 -0.03 -0.32 0.00 0.18 0.00 0.00 39.33 40.34 1a69 h ASP 157 CO 0.68 1.17 -0.56 -0.76 -3.12 0.00 0.00 179.24 176.65 1a69 s LEU 158 N -6.39 4.88 0.27 1.55 1.02 -1.26 -4.94 118.68 113.81 1a69 s LEU 158 Ca -0.07 -1.67 -0.04 0.00 0.02 0.00 0.00 54.13 52.37 1a69 s LEU 158 Cb 0.08 -1.85 0.34 0.00 0.02 0.00 0.00 46.19 44.78 1a69 s LEU 158 CO 0.82 -0.47 1.94 0.15 0.02 0.00 0.00 176.35 178.82 1a69 h PHE 159 N 8.15 1.17 -2.99 0.29 3.04 -1.98 -3.04 116.94 121.58 1a69 h PHE 159 Ca -0.18 0.03 -0.76 0.00 3.98 0.00 0.00 57.97 61.03 1a69 h PHE 159 Cb 1.06 -0.39 -0.31 0.00 2.56 0.00 0.00 35.95 38.87 1a69 h PHE 159 CO 0.59 0.74 0.38 0.66 -2.02 0.00 0.00 178.31 178.66 1a69 n TYR 160 N -4.39 3.36 -2.30 0.41 4.01 -1.26 -5.04 117.16 111.95 1a69 n TYR 160 Ca 0.11 -3.32 -0.41 0.00 -0.16 0.00 0.00 57.90 54.12 1a69 n TYR 160 Cb 0.02 -1.22 -0.03 0.00 -0.31 0.00 0.00 39.34 37.80 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 -1.04 7.00 0.21 7.72 0.15 -1.15 -4.93 113.70 121.66 1a69 s SER 161 Ca 0.32 2.33 0.26 0.00 0.70 0.00 0.00 55.95 59.55 1a69 s SER 161 Cb 0.02 -2.61 0.76 0.00 -1.71 0.00 0.00 66.02 62.47 1a69 s SER 161 CO 0.02 -0.44 1.74 1.55 1.20 0.00 0.00 173.24 177.31 1a69 h PRO 162 N 5.16 0.00 -3.92 5.44 0.13 -1.96 -3.40 132.00 133.45 1a69 h PRO 162 Ca -0.45 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.97 1a69 h PRO 162 Cb 1.21 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.02 1a69 h PRO 162 CO 0.75 0.00 -0.33 0.34 -0.23 0.00 0.00 178.00 178.53 1a69 s ASP 163 N -4.59 5.56 0.40 1.44 2.15 -1.26 -4.92 116.67 115.44 1a69 s ASP 163 Ca 0.10 -2.50 0.21 0.00 0.43 0.00 0.00 52.55 50.79 1a69 s ASP 163 Cb 0.12 -1.93 0.70 0.00 -0.30 0.00 0.00 42.92 41.51 1a69 s ASP 163 CO 0.61 -0.50 1.74 1.23 -0.17 0.00 0.00 175.17 178.08 1a69 h GLY 164 N 7.60 0.00 2.00 2.66 0.00 -2.03 -3.09 103.07 110.21 1a69 h GLY 164 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1a69 h GLY 164 CO 0.75 0.00 -0.03 -2.09 0.00 0.00 0.00 176.54 175.17 1a69 h GLU 165 N 0.00 0.00 -0.09 4.80 4.81 -1.98 -1.88 114.58 120.24 1a69 h GLU 165 Ca -0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1a69 h GLU 165 Cb 0.89 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 1a69 h GLU 165 CO 0.04 0.03 0.06 1.98 -0.73 0.00 0.00 179.01 180.40 1a69 h MET 166 N 0.00 0.00 -0.12 1.92 4.05 -1.98 -1.50 114.93 117.30 1a69 h MET 166 Ca -0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1a69 h MET 166 Cb 0.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1a69 h MET 166 CO 0.00 0.00 -0.25 0.74 0.23 0.00 0.00 176.91 177.63 1a69 h PHE 167 N 0.00 0.24 -0.44 1.39 0.04 -1.56 -1.46 116.94 115.15 1a69 h PHE 167 Ca 0.04 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1a69 h PHE 167 Cb 0.17 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1a69 h PHE 167 CO 0.00 0.46 -0.28 -0.44 -0.60 0.00 0.00 178.31 177.45 1a69 h ASP 168 N 0.20 1.00 -0.54 2.17 5.19 -1.43 -1.59 116.42 121.43 1a69 h ASP 168 Ca 0.03 -0.41 -0.06 0.00 -0.62 0.00 0.00 57.03 55.97 1a69 h ASP 168 Cb 0.56 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1a69 h ASP 168 CO 0.04 1.20 0.10 0.58 -3.12 0.00 0.00 179.24 178.04 1a69 h VAL 169 N 0.81 1.25 -0.32 -1.35 2.07 -1.41 0.21 116.25 117.52 1a69 h VAL 169 Ca 0.09 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1a69 h VAL 169 Cb 0.86 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1a69 h VAL 169 CO 0.08 0.34 0.18 0.24 0.02 0.00 0.00 177.57 178.42 1a69 h MET 170 N 0.77 0.36 -0.62 1.57 2.86 -1.10 0.20 114.93 118.96 1a69 h MET 170 Ca 0.16 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1a69 h MET 170 Cb 0.39 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1a69 h MET 170 CO 0.01 0.24 0.40 1.49 1.06 0.00 0.00 176.91 180.10 1a69 h GLU 171 N 0.37 0.83 -0.66 1.72 4.81 -1.02 -1.74 114.58 118.89 1a69 h GLU 171 Ca 0.13 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1a69 h GLU 171 Cb 0.01 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.15 1a69 h GLU 171 CO -0.06 0.57 0.35 -0.22 -0.73 0.00 0.00 179.01 178.91 1a69 h LYS 172 N 0.84 0.62 -0.41 1.92 3.11 -0.23 -2.54 116.57 119.89 1a69 h LYS 172 Ca 0.23 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.03 1a69 h LYS 172 Cb -0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 1a69 h LYS 172 CO -0.05 0.41 0.00 0.66 -2.81 0.00 0.00 179.45 177.66 1a69 n TYR 173 N -4.82 0.49 -1.95 1.91 4.02 -0.01 -4.94 117.16 111.86 1a69 n TYR 173 Ca 0.08 -0.22 -0.13 0.00 -0.01 0.00 0.00 57.90 57.63 1a69 n TYR 173 Cb 0.19 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 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 0.83 0.35 3.71 2.72 0.00 -0.96 -4.98 105.19 106.87 1a69 n GLY 174 Ca 0.10 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.58 2.96 0.13 -0.61 -5.25 -0.70 -4.67 121.20 110.49 1a69 s ILE 175 Ca 0.00 0.64 -0.14 0.00 -0.99 0.00 0.00 60.65 60.16 1a69 s ILE 175 Cb 0.00 -3.41 -0.00 0.00 2.95 0.00 0.00 42.46 42.00 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 7.18 0.71 -7.08 0.37 4.07 -1.07 -3.40 115.31 116.08 1a69 h LEU 176 Ca -0.42 -0.27 0.08 0.00 0.08 0.00 0.00 57.88 57.34 1a69 h LEU 176 Cb 1.20 -0.19 -0.13 0.00 1.08 0.00 0.00 40.66 42.62 1a69 h LEU 176 CO 0.90 0.80 0.40 -0.83 -1.08 0.00 0.00 178.44 178.63 1a69 s GLY 177 N -3.25 -0.48 -0.14 0.83 0.00 -1.25 -4.43 107.32 98.59 1a69 s GLY 177 Ca -0.13 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1a69 s GLY 177 CO 0.79 0.24 -0.14 0.54 0.00 0.00 0.00 173.10 174.53 1a69 s VAL 178 N -3.35 2.84 0.00 1.40 0.11 0.47 -0.72 120.40 121.15 1a69 s VAL 178 Ca 0.05 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1a69 s VAL 178 Cb -0.01 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1a69 s VAL 178 CO -0.09 0.52 0.00 -1.84 -3.33 0.00 0.00 175.10 170.36 1a69 n GLU 179 N 3.83 0.56 -0.69 1.54 -0.00 -0.35 -1.34 120.64 124.19 1a69 n GLU 179 Ca -0.19 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.98 1a69 n GLU 179 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.00 0.00 3.44 2.81 -1.26 -0.73 117.12 121.38 1a69 n MET 180 Ca 0.00 -1.09 0.00 0.00 -1.81 0.00 0.00 57.70 54.80 1a69 n MET 180 Cb 0.00 -0.34 0.00 0.00 -0.71 0.00 0.00 33.22 32.17 1a69 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1a69 n GLU 181 N 0.09 0.16 -0.11 0.03 4.71 -1.26 -2.17 120.64 122.09 1a69 n GLU 181 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1a69 n GLU 181 Cb 0.76 -0.62 -0.03 0.00 -1.01 0.00 0.00 31.44 30.55 1a69 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a69 n ALA 182 N -1.58 -0.17 -0.28 0.62 0.00 -1.26 -0.37 120.51 117.46 1a69 n ALA 182 Ca 0.00 0.23 0.18 0.00 0.00 0.00 0.00 53.44 53.85 1a69 n ALA 182 Cb 0.12 0.08 0.46 0.00 0.00 0.00 0.00 19.45 20.11 1a69 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a69 h ALA 183 N -0.10 2.07 -0.20 0.00 0.00 -1.84 -0.74 119.26 118.46 1a69 h ALA 183 Ca 0.04 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1a69 h ALA 183 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a69 h ALA 183 CO -0.26 -0.39 -0.44 0.78 0.00 0.00 0.00 179.25 178.95 1a69 h GLY 184 N 0.50 0.71 0.95 0.00 0.00 -1.07 -2.32 103.07 101.84 1a69 h GLY 184 Ca 0.51 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1a69 h GLY 184 CO -0.24 0.77 0.13 -2.22 0.00 0.00 0.00 176.54 174.98 1a69 h ILE 185 N 0.33 1.22 -0.52 2.60 2.04 -0.63 -1.56 117.51 120.99 1a69 h ILE 185 Ca 0.00 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 1a69 h ILE 185 Cb 1.04 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1a69 h ILE 185 CO 0.10 0.25 0.11 1.88 0.00 0.00 0.00 178.15 180.49 1a69 h TYR 186 N 0.54 0.82 -0.53 1.37 0.05 -1.22 -0.28 116.97 117.72 1a69 h TYR 186 Ca 0.14 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.73 1a69 h TYR 186 Cb 0.26 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 1a69 h TYR 186 CO 0.01 0.70 -0.08 0.78 -1.05 0.00 0.00 178.16 178.52 1a69 h GLY 187 N 0.95 1.08 0.99 3.88 0.00 -1.15 -1.90 103.07 106.92 1a69 h GLY 187 Ca 0.17 -0.86 -0.10 0.00 0.00 0.00 0.00 47.33 46.54 1a69 h GLY 187 CO 0.00 0.78 -0.14 -2.08 0.00 0.00 0.00 176.54 175.11 1a69 h VAL 188 N 0.87 1.28 -0.67 4.60 2.07 -0.90 -1.63 116.25 121.86 1a69 h VAL 188 Ca 0.14 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1a69 h VAL 188 Cb 0.64 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1a69 h VAL 188 CO 0.04 0.42 0.39 0.00 0.02 0.00 0.00 177.57 178.44 1a69 h ALA 189 N 0.82 0.86 -0.51 1.67 0.00 -0.95 -0.23 119.26 120.93 1a69 h ALA 189 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1a69 h ALA 189 Cb 0.67 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1a69 h ALA 189 CO 0.05 0.35 -0.13 0.00 0.00 0.00 0.00 179.25 179.52 1a69 h ALA 190 N 1.20 0.82 -0.31 0.00 0.00 -1.29 0.21 119.26 119.89 1a69 h ALA 190 Ca 0.24 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1a69 h ALA 190 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1a69 h ALA 190 CO -0.04 0.66 -0.20 1.49 0.00 0.00 0.00 179.25 181.15 1a69 h GLU 191 N 0.85 0.58 -0.20 0.00 4.81 -0.86 -3.24 114.58 116.52 1a69 h GLU 191 Ca 0.13 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1a69 h GLU 191 Cb 0.68 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1a69 h GLU 191 CO 0.05 0.74 0.00 1.19 -0.73 0.00 0.00 179.01 180.26 1a69 n PHE 192 N -4.14 0.25 -2.88 0.92 3.72 -0.14 -5.01 117.46 110.19 1a69 n PHE 192 Ca 0.00 -0.17 -0.11 0.00 -0.05 0.00 0.00 57.45 57.12 1a69 n PHE 192 Cb 0.39 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.98 1a69 n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a69 n GLY 193 N 1.02 -0.20 3.59 1.37 0.00 0.50 -5.01 105.19 106.47 1a69 n GLY 193 Ca 0.13 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 3.17 -0.08 4.61 0.00 0.21 -5.03 121.76 121.39 1a69 s ALA 194 Ca 0.08 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.60 1a69 s ALA 194 Cb -0.01 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 1a69 s ALA 194 CO 0.49 -0.19 -0.13 0.15 0.00 0.00 0.00 175.76 176.08 1a69 s LYS 195 N -3.80 2.84 0.06 0.00 1.02 -0.53 -4.52 119.74 114.81 1a69 s LYS 195 Ca 0.25 -0.68 -0.03 0.00 0.02 0.00 0.00 55.97 55.53 1a69 s LYS 195 Cb 0.06 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 1a69 s LYS 195 CO 0.12 0.48 0.02 0.00 -0.92 0.00 0.00 175.35 175.06 1a69 s ALA 196 N -0.35 0.36 -0.13 5.17 0.00 -1.26 -0.77 121.76 124.78 1a69 s ALA 196 Ca 0.04 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 1a69 s ALA 196 Cb -0.12 0.34 0.06 0.00 0.00 0.00 0.00 23.12 23.39 1a69 s ALA 196 CO 0.02 -0.40 0.63 -1.17 0.00 0.00 0.00 175.76 174.84 1a69 s LEU 197 N -2.91 -0.43 -0.08 0.00 2.96 -0.04 -1.70 118.68 116.48 1a69 s LEU 197 Ca 0.07 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1a69 s LEU 197 Cb 0.07 2.28 0.02 0.00 0.50 0.00 0.00 46.19 49.06 1a69 s LEU 197 CO -0.10 -0.44 -0.09 0.28 -1.32 0.00 0.00 176.35 174.69 1a69 s THR 198 N -0.58 0.97 -0.09 3.68 -1.32 -1.26 0.05 115.64 117.10 1a69 s THR 198 Ca -0.07 -0.33 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 1a69 s THR 198 Cb -0.02 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1a69 s THR 198 CO 0.06 0.34 -0.10 -0.63 -2.21 0.00 0.00 174.62 172.07 1a69 s ILE 199 N 1.16 3.35 0.05 5.08 -1.09 0.84 -1.83 121.20 128.76 1a69 s ILE 199 Ca -0.06 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.79 1a69 s ILE 199 Cb -0.14 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.34 1a69 s ILE 199 CO -0.02 0.57 -0.06 0.00 -1.23 0.00 0.00 174.94 174.20 1a69 s THR 201 N -2.05 3.03 -0.36 0.00 -4.23 -0.26 0.06 115.64 111.83 1a69 s THR 201 Ca -0.06 -0.66 -0.27 0.00 -1.18 0.00 0.00 61.69 59.52 1a69 s THR 201 Cb -0.05 -2.28 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 1a69 s THR 201 CO -0.02 0.51 2.32 0.52 -0.54 0.00 0.00 174.62 177.42 1a69 n VAL 202 N 3.71 0.13 0.12 2.29 0.31 0.62 -2.34 118.33 123.17 1a69 n VAL 202 Ca -0.18 -0.62 -0.19 0.00 -0.01 0.00 0.00 64.34 63.34 1a69 n VAL 202 Cb 0.52 -2.65 -0.14 0.00 -0.91 0.00 0.00 33.84 30.66 1a69 n VAL 202 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1a69 h SER 203 N 17.18 0.59 -5.02 4.52 0.87 -1.23 -0.19 113.55 130.28 1a69 h SER 203 Ca -0.32 -0.63 0.04 0.00 -1.23 0.00 0.00 61.79 59.65 1a69 h SER 203 Cb 1.26 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1a69 h SER 203 CO 1.06 1.49 0.21 1.51 -0.53 0.00 0.00 176.83 180.57 1a69 s ASP 204 N -7.31 -0.19 -0.36 6.23 1.47 -1.23 -2.14 116.67 113.14 1a69 s ASP 204 Ca -0.06 -0.74 -0.08 0.00 1.18 0.00 0.00 52.55 52.85 1a69 s ASP 204 Cb 0.06 0.75 0.05 0.00 -0.34 0.00 0.00 42.92 43.43 1a69 s ASP 204 CO 0.91 -1.41 0.15 -2.28 0.68 0.00 0.00 175.17 173.22 1a69 s HIS 205 N -3.60 3.28 0.34 2.11 2.46 -0.93 -0.33 115.29 118.62 1a69 s HIS 205 Ca 0.13 -1.39 0.08 0.00 0.47 0.00 0.00 55.06 54.35 1a69 s HIS 205 Cb -0.05 -2.44 0.79 0.00 -0.13 0.00 0.00 32.58 30.74 1a69 s HIS 205 CO 0.08 -0.74 1.85 0.82 -2.47 0.00 0.00 174.74 174.27 1a69 h ILE 206 N 6.11 0.81 0.00 0.89 2.04 0.07 -2.55 117.51 124.89 1a69 h ILE 206 Ca -0.23 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1a69 h ILE 206 Cb 1.08 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1a69 h ILE 206 CO 0.64 0.13 0.00 0.54 0.00 0.00 0.00 178.15 179.46 1a69 n ARG 207 N -4.60 0.00 -0.21 2.37 5.12 -1.24 -4.06 116.66 114.05 1a69 n ARG 207 Ca 0.19 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 56.10 1a69 n ARG 207 Cb 0.49 -0.28 -0.02 0.00 -1.16 0.00 0.00 32.46 31.49 1a69 n ARG 207 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1a69 n THR 208 N -0.07 0.73 -0.03 0.55 -1.04 -1.25 -4.79 114.28 108.37 1a69 n THR 208 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1a69 n THR 208 Cb 0.00 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 1a69 n THR 208 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1a69 n HIS 209 N 2.23 0.00 -3.58 -1.42 -0.00 -0.96 -4.84 115.22 106.65 1a69 n HIS 209 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.54 1a69 n HIS 209 Cb 0.20 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.03 1a69 n HIS 209 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1a69 s GLU 210 N 0.00 0.10 0.42 -0.41 8.01 -1.21 -4.98 118.70 120.62 1a69 s GLU 210 Ca 0.00 0.04 -0.06 0.00 0.01 0.00 0.00 54.97 54.96 1a69 s GLU 210 Cb 0.00 -1.55 -0.05 0.00 -4.31 0.00 0.00 34.13 28.22 1a69 s GLU 210 CO 0.00 -0.64 0.73 -0.65 0.01 0.00 0.00 175.26 174.71 1a69 s GLN 211 N 2.20 3.63 0.83 1.61 -1.52 -1.26 -2.19 119.66 122.95 1a69 s GLN 211 Ca 0.04 0.23 -0.13 0.00 -1.95 0.00 0.00 55.36 53.55 1a69 s GLN 211 Cb -0.16 -2.43 0.19 0.00 -0.22 0.00 0.00 33.01 30.39 1a69 s GLN 211 CO -0.10 -0.07 1.13 2.41 -0.25 0.00 0.00 175.29 178.41 1a69 n THR 212 N -1.74 0.00 -4.12 -0.19 -1.04 -0.91 -5.00 114.28 101.27 1a69 n THR 212 Ca 0.00 -0.92 -0.27 0.00 -2.04 0.00 0.00 64.05 60.82 1a69 n THR 212 Cb 0.55 -1.49 -0.07 0.00 -1.82 0.00 0.00 70.33 67.50 1a69 n THR 212 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1a69 s THR 213 N -3.43 4.19 0.26 12.58 2.01 -1.26 -4.98 115.64 125.01 1a69 s THR 213 Ca 0.65 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1a69 s THR 213 Cb -0.02 -3.09 0.24 0.00 0.01 0.00 0.00 72.50 69.64 1a69 s THR 213 CO 0.45 -0.04 1.77 0.00 -0.69 0.00 0.00 174.62 176.11 1a69 h ALA 214 N 2.77 1.30 0.96 7.40 0.00 -1.98 0.42 119.26 130.13 1a69 h ALA 214 Ca -0.47 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1a69 h ALA 214 Cb 1.19 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1a69 h ALA 214 CO 0.61 -0.07 -0.47 0.00 0.00 0.00 0.00 179.25 179.32 1a69 h ALA 215 N 1.56 -1.31 -1.01 0.00 0.00 -2.00 -0.36 119.26 116.15 1a69 h ALA 215 Ca 0.47 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1a69 h ALA 215 Cb 0.64 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1a69 h ALA 215 CO -0.35 -1.24 0.64 1.05 0.00 0.00 0.00 179.25 179.35 1a69 h GLU 216 N -1.30 1.02 0.13 0.00 -0.00 -1.82 -1.96 114.58 110.65 1a69 h GLU 216 Ca -0.13 -0.06 0.01 0.00 -0.00 0.00 0.00 59.36 59.18 1a69 h GLU 216 Cb 1.00 -0.23 -0.02 0.00 -0.00 0.00 0.00 28.75 29.50 1a69 h GLU 216 CO 0.21 0.67 -0.16 0.00 -0.00 0.00 0.00 179.01 179.73 1a69 h ARG 217 N 1.05 -0.32 -0.37 1.06 2.47 0.07 0.10 114.38 118.44 1a69 h ARG 217 Ca 0.48 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 59.27 1a69 h ARG 217 Cb 0.40 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 1a69 h ARG 217 CO -0.24 -0.21 0.10 0.37 0.56 0.00 0.00 179.97 180.55 1a69 h GLN 218 N -0.33 0.23 0.70 0.04 -0.00 -0.47 0.41 115.11 115.69 1a69 h GLN 218 Ca 0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1a69 h GLN 218 Cb 0.33 -0.05 0.01 0.00 0.00 0.00 0.00 27.48 27.76 1a69 h GLN 218 CO -0.06 0.15 -0.34 1.15 0.00 0.00 0.00 178.83 179.74 1a69 h THR 219 N 0.24 0.20 -0.70 2.39 2.02 -1.20 -1.75 112.91 114.11 1a69 h THR 219 Ca 0.17 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 67.25 1a69 h THR 219 Cb 0.17 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 1a69 h THR 219 CO -0.20 0.02 0.47 0.74 0.37 0.00 0.00 175.52 176.92 1a69 h THR 220 N -1.11 0.90 -0.26 3.16 2.02 -0.70 -0.90 112.91 116.01 1a69 h THR 220 Ca -0.10 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1a69 h THR 220 Cb 0.75 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1a69 h THR 220 CO 0.16 0.10 0.17 0.15 0.37 0.00 0.00 175.52 176.47 1a69 h PHE 221 N 0.53 0.33 -0.73 3.16 3.57 0.01 -1.66 116.94 122.15 1a69 h PHE 221 Ca 0.33 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.87 1a69 h PHE 221 Cb 0.57 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1a69 h PHE 221 CO -0.00 0.21 0.46 -0.91 -2.23 0.00 0.00 178.31 175.84 1a69 h ASN 222 N 0.36 0.76 0.06 0.41 -0.26 -0.27 -1.92 115.58 114.72 1a69 h ASN 222 Ca 0.10 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1a69 h ASN 222 Cb -0.04 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 1a69 h ASN 222 CO -0.02 0.52 -0.07 0.44 -1.06 0.00 0.00 177.43 177.24 1a69 h ASP 223 N 0.90 -0.20 -0.60 5.81 3.32 -0.98 -0.46 116.42 124.21 1a69 h ASP 223 Ca 0.30 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.47 1a69 h ASP 223 Cb 0.02 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.57 1a69 h ASP 223 CO -0.11 -0.12 0.19 -0.03 -1.72 0.00 0.00 179.24 177.45 1a69 h MET 224 N -0.16 0.33 -0.67 3.56 1.85 -0.97 0.14 114.93 119.01 1a69 h MET 224 Ca 0.01 -0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 1a69 h MET 224 Cb 0.16 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 1a69 h MET 224 CO -0.03 0.22 0.22 0.82 -0.40 0.00 0.00 176.91 177.74 1a69 h ILE 225 N 0.34 1.24 -0.56 1.77 2.04 -0.98 -1.12 117.51 120.25 1a69 h ILE 225 Ca 0.31 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1a69 h ILE 225 Cb 0.42 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1a69 h ILE 225 CO -0.35 0.32 0.21 0.11 0.00 0.00 0.00 178.15 178.45 1a69 h LYS 226 N 0.99 0.84 -0.07 2.37 1.79 0.53 -0.97 116.57 122.05 1a69 h LYS 226 Ca 0.22 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1a69 h LYS 226 Cb 0.26 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1a69 h LYS 226 CO -0.01 0.74 0.05 0.82 -1.08 0.00 0.00 179.45 179.96 1a69 h ILE 227 N 0.77 1.01 -0.27 1.86 2.04 -0.38 -0.08 117.51 122.47 1a69 h ILE 227 Ca 0.18 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.02 1a69 h ILE 227 Cb 0.22 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1a69 h ILE 227 CO -0.01 0.02 0.16 0.00 0.00 0.00 0.00 178.15 178.32 1a69 h ALA 228 N 1.03 0.33 -0.11 1.87 0.00 -1.01 0.60 119.26 121.97 1a69 h ALA 228 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a69 h ALA 228 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1a69 h ALA 228 CO -0.01 -0.21 0.05 -0.07 0.00 0.00 0.00 179.25 179.00 1a69 h LEU 229 N 0.34 0.16 -1.15 0.00 3.38 -1.04 -2.68 115.31 114.31 1a69 h LEU 229 Ca 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1a69 h LEU 229 Cb -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1a69 h LEU 229 CO -0.04 0.28 0.25 -0.33 0.09 0.00 0.00 178.44 178.69 1a69 h GLU 230 N 0.03 0.85 -0.20 1.13 4.39 -0.91 -2.08 114.58 117.79 1a69 h GLU 230 Ca 0.04 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1a69 h GLU 230 Cb 0.17 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1a69 h GLU 230 CO -0.00 0.68 0.09 0.66 -1.16 0.00 0.00 179.01 179.28 1a69 h SER 231 N 0.84 0.24 -0.26 1.42 4.64 -0.65 -2.23 113.55 117.55 1a69 h SER 231 Ca 0.20 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 1a69 h SER 231 Cb 0.14 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1a69 h SER 231 CO -0.02 0.22 0.04 0.58 -0.87 0.00 0.00 176.83 176.78 1a69 h VAL 232 N 0.28 1.23 -0.52 0.95 2.07 -1.04 -1.90 116.25 117.32 1a69 h VAL 232 Ca 0.07 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1a69 h VAL 232 Cb 0.04 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1a69 h VAL 232 CO -0.01 0.25 0.27 -0.07 0.02 0.00 0.00 177.57 178.03 1a69 h LEU 233 N 0.24 0.39 -0.83 2.57 3.38 -1.35 -1.66 115.31 118.06 1a69 h LEU 233 Ca 0.08 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1a69 h LEU 233 Cb 0.33 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1a69 h LEU 233 CO 0.01 0.27 0.54 -0.07 0.09 0.00 0.00 178.44 179.28 1a69 h LEU 234 N 0.53 0.93 -1.97 1.67 3.38 -1.27 -1.32 115.31 117.26 1a69 h LEU 234 Ca 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1a69 h LEU 234 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1a69 h LEU 234 CO -0.15 0.66 -0.10 1.23 0.09 0.00 0.00 178.44 180.17 1a69 h GLY 235 N 1.10 0.00 2.00 0.83 0.00 -0.50 -2.33 103.07 104.16 1a69 h GLY 235 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 1a69 h GLY 235 CO -0.08 0.00 -0.15 -0.55 0.00 0.00 0.00 176.54 175.76 1a69 h ASP 236 N 0.00 0.00 0.00 0.19 3.32 -0.38 -3.51 116.42 116.04 1a69 h ASP 236 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a69 h ASP 236 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1a69 h ASP 236 CO 0.01 0.15 0.00 0.29 -1.72 0.00 0.00 179.24 177.97