#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otx s THR 2 N 0.00 1.62 0.32 0.00 -4.23 0.15 -4.94 115.64 108.57 1otx s THR 2 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1otx s THR 2 Cb 0.00 -2.76 0.32 0.00 1.34 0.00 0.00 72.50 71.40 1otx s THR 2 CO 0.00 0.00 1.76 -0.65 -0.54 0.00 0.00 174.62 175.19 1otx h PRO 3 N 1.74 0.62 -0.00 3.99 0.11 -2.01 -2.90 132.00 133.55 1otx h PRO 3 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1otx h PRO 3 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1otx h PRO 3 CO 0.76 0.41 -0.47 0.72 -0.21 0.00 0.00 178.00 179.22 1otx n HIS 4 N -4.79 0.00 -3.96 0.65 8.25 -1.26 -4.90 115.22 109.20 1otx n HIS 4 Ca 0.25 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.40 1otx n HIS 4 Cb 0.68 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.63 1otx n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1otx s ILE 5 N -1.94 1.61 -1.09 1.59 -1.09 -1.09 -4.67 121.20 114.52 1otx s ILE 5 Ca 0.05 -1.24 -0.13 0.00 -2.23 0.00 0.00 60.65 57.10 1otx s ILE 5 Cb 0.08 -1.84 0.20 0.00 -1.58 0.00 0.00 42.46 39.33 1otx s ILE 5 CO 0.42 -0.06 1.22 0.21 -1.23 0.00 0.00 174.94 175.50 1otx s ASN 6 N 1.36 7.04 0.32 3.58 2.47 -1.26 0.33 114.94 128.78 1otx s ASN 6 Ca -0.06 -2.99 -0.17 0.00 0.42 0.00 0.00 52.86 50.07 1otx s ASN 6 Cb -0.19 -2.32 0.03 0.00 -1.45 0.00 0.00 41.25 37.32 1otx s ASN 6 CO -0.06 -0.64 0.71 0.00 -3.72 0.00 0.00 177.10 173.38 1otx s ALA 7 N 0.77 -0.81 0.38 1.71 0.00 -1.26 -4.60 121.76 117.95 1otx s ALA 7 Ca 0.35 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.77 1otx s ALA 7 Cb -0.06 0.83 -0.07 0.00 0.00 0.00 0.00 23.12 23.82 1otx s ALA 7 CO -0.05 -0.98 -0.00 -1.21 0.00 0.00 0.00 175.76 173.52 1otx s GLU 8 N -3.26 1.97 0.25 0.00 0.41 -1.26 -4.50 118.70 112.31 1otx s GLU 8 Ca 0.15 -1.95 -0.31 0.00 -0.41 0.00 0.00 54.97 52.45 1otx s GLU 8 Cb -0.05 -1.76 -0.14 0.00 -1.78 0.00 0.00 34.13 30.41 1otx s GLU 8 CO 0.10 0.04 1.33 -0.12 -0.49 0.00 0.00 175.26 176.12 1otx n MET 9 N -0.94 1.87 0.00 1.61 0.00 -1.26 -1.68 117.12 116.72 1otx n MET 9 Ca -0.04 0.66 0.00 0.00 -0.00 0.00 0.00 57.70 58.32 1otx n MET 9 Cb 0.65 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.60 1otx n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1otx n GLY 10 N 1.89 3.10 0.24 -5.12 0.00 -1.26 -4.91 105.19 99.13 1otx n GLY 10 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1otx n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1otx h ASP 11 N 0.07 0.29 -2.68 1.61 3.32 -1.70 -3.43 116.42 113.90 1otx h ASP 11 Ca 0.00 -0.07 -0.57 0.00 0.02 0.00 0.00 57.03 56.41 1otx h ASP 11 Cb 0.00 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1otx h ASP 11 CO 0.00 0.47 -0.49 -0.36 -1.72 0.00 0.00 179.24 177.14 1otx s PHE 12 N -4.66 3.45 0.90 4.55 0.40 -1.26 -4.70 117.98 116.65 1otx s PHE 12 Ca -0.06 0.13 -0.14 0.00 -0.60 0.00 0.00 56.93 56.26 1otx s PHE 12 Cb 0.15 -1.67 0.15 0.00 0.51 0.00 0.00 43.02 42.16 1otx s PHE 12 CO 0.75 0.53 1.24 0.00 0.70 0.00 0.00 175.22 178.44 1otx s ALA 13 N -1.67 2.31 -2.13 5.36 0.00 -1.26 -4.92 121.76 119.44 1otx s ALA 13 Ca 0.34 -0.90 0.29 0.00 0.00 0.00 0.00 51.96 51.69 1otx s ALA 13 Cb -0.11 -2.88 1.56 0.00 0.00 0.00 0.00 23.12 21.69 1otx s ALA 13 CO 0.28 -2.15 2.02 -0.40 0.00 0.00 0.00 175.76 175.51 1otx n ASP 14 N -3.62 0.44 -3.88 0.00 5.68 -1.26 -4.63 116.55 109.28 1otx n ASP 14 Ca 0.11 -1.20 -0.25 0.00 -0.50 0.00 0.00 54.79 52.95 1otx n ASP 14 Cb 0.60 -0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.41 1otx n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1otx s VAL 15 N -1.99 0.84 -0.11 2.12 1.01 -1.26 -0.49 120.40 120.53 1otx s VAL 15 Ca 0.43 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1otx s VAL 15 Cb 0.21 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1otx s VAL 15 CO 0.34 0.33 -0.19 -0.69 0.00 0.00 0.00 175.10 174.89 1otx s VAL 16 N 1.62 1.77 -0.07 2.92 1.01 -0.68 -1.91 120.40 125.06 1otx s VAL 16 Ca 0.02 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 1otx s VAL 16 Cb -0.13 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1otx s VAL 16 CO -0.06 0.49 0.50 -0.76 0.00 0.00 0.00 175.10 175.28 1otx s LEU 17 N 0.67 4.34 -0.32 3.92 1.02 0.78 -0.91 118.68 128.18 1otx s LEU 17 Ca -0.12 0.93 0.02 0.00 0.02 0.00 0.00 54.13 54.98 1otx s LEU 17 Cb -0.16 -2.74 0.09 0.00 0.02 0.00 0.00 46.19 43.40 1otx s LEU 17 CO 0.03 0.07 0.05 -0.04 0.02 0.00 0.00 176.35 176.47 1otx s MET 18 N 0.19 1.29 0.61 1.70 -1.94 0.20 -2.07 119.30 119.28 1otx s MET 18 Ca 0.27 -1.51 -0.09 0.00 -1.71 0.00 0.00 55.69 52.66 1otx s MET 18 Cb -0.16 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 33.92 1otx s MET 18 CO 0.13 -0.90 0.97 -1.25 -0.01 0.00 0.00 175.02 173.96 1otx s PRO 19 N 1.19 3.23 -0.02 2.03 0.04 -1.24 -1.89 135.00 138.34 1otx s PRO 19 Ca 0.08 0.39 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 1otx s PRO 19 Cb -0.18 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 1otx s PRO 19 CO -0.13 -0.65 0.70 0.78 0.04 0.00 0.00 177.00 177.74 1otx h GLY 20 N -0.27 -0.57 -4.77 0.56 0.00 -1.91 -2.05 103.07 94.06 1otx h GLY 20 Ca -0.45 0.21 -0.55 0.00 0.00 0.00 0.00 47.33 46.54 1otx h GLY 20 CO 0.62 -0.21 0.73 -0.35 0.00 0.00 0.00 176.54 177.33 1otx s ASP 21 N -4.44 6.99 0.29 0.19 2.15 -1.26 -3.16 116.67 117.43 1otx s ASP 21 Ca -0.08 1.94 -0.01 0.00 0.43 0.00 0.00 52.55 54.83 1otx s ASP 21 Cb 0.01 -2.56 0.47 0.00 -0.30 0.00 0.00 42.92 40.53 1otx s ASP 21 CO 0.24 -0.62 1.93 -0.65 -0.17 0.00 0.00 175.17 175.91 1otx h PRO 22 N 7.49 1.07 -0.92 4.34 0.11 -1.92 -1.48 132.00 140.69 1otx h PRO 22 Ca -0.36 -0.06 0.24 0.00 0.11 0.00 0.00 66.00 65.92 1otx h PRO 22 Cb 1.17 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 1otx h PRO 22 CO 0.88 0.71 0.63 -0.07 -0.21 0.00 0.00 178.00 179.94 1otx h LEU 23 N 1.10 0.23 -1.35 2.35 3.38 -1.91 0.46 115.31 119.57 1otx h LEU 23 Ca 0.36 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1otx h LEU 23 Cb 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1otx h LEU 23 CO -0.11 0.08 -0.11 0.03 0.09 0.00 0.00 178.44 178.42 1otx h ARG 24 N 0.22 0.00 -0.46 1.13 3.08 -1.66 -3.07 114.38 113.62 1otx h ARG 24 Ca 0.47 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.41 1otx h ARG 24 Cb 1.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 1otx h ARG 24 CO -0.12 0.11 -0.12 0.00 -1.07 0.00 0.00 179.97 178.78 1otx h ALA 25 N 1.89 0.64 -0.44 0.04 0.00 -0.15 -1.39 119.26 119.85 1otx h ALA 25 Ca -0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1otx h ALA 25 Cb 0.60 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1otx h ALA 25 CO 0.01 0.54 0.08 -0.22 0.00 0.00 0.00 179.25 179.66 1otx h LYS 26 N 0.74 0.73 -0.75 0.00 3.64 -1.59 -1.33 116.57 118.00 1otx h LYS 26 Ca 0.12 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1otx h LYS 26 Cb 0.67 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1otx h LYS 26 CO 0.05 0.75 0.48 -0.92 -2.27 0.00 0.00 179.45 177.54 1otx h TYR 27 N 0.59 0.91 -0.46 1.91 5.03 -1.44 -1.00 116.97 122.51 1otx h TYR 27 Ca 0.13 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 1otx h TYR 27 Cb 0.37 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1otx h TYR 27 CO 0.03 0.53 0.05 0.82 -1.32 0.00 0.00 178.16 178.27 1otx h ILE 28 N 0.96 1.25 -0.39 1.81 1.08 -1.05 -0.68 117.51 120.49 1otx h ILE 28 Ca 0.30 -0.95 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1otx h ILE 28 Cb -0.02 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 1otx h ILE 28 CO -0.10 0.33 0.21 0.00 -0.69 0.00 0.00 178.15 177.90 1otx h ALA 29 N 0.94 0.51 0.00 1.87 0.00 -0.75 0.52 119.26 122.34 1otx h ALA 29 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1otx h ALA 29 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1otx h ALA 29 CO 0.01 0.04 -0.30 1.05 0.00 0.00 0.00 179.25 180.05 1otx h GLU 30 N 0.50 0.00 0.04 0.00 4.11 -1.18 -2.98 114.58 115.08 1otx h GLU 30 Ca 0.14 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.20 1otx h GLU 30 Cb 0.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1otx h GLU 30 CO -0.02 0.00 -2.26 2.41 0.07 0.00 0.00 179.01 179.21 1otx n THR 31 N -2.37 1.57 0.09 -1.06 -1.04 -0.26 -4.74 114.28 106.46 1otx n THR 31 Ca 0.04 -0.66 0.02 0.00 -2.04 0.00 0.00 64.05 61.41 1otx n THR 31 Cb 0.46 -1.34 -0.02 0.00 -1.82 0.00 0.00 70.33 67.60 1otx n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1otx n PHE 32 N -3.23 0.00 -4.07 -1.42 3.01 0.16 -5.03 117.46 106.87 1otx n PHE 32 Ca -0.37 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 57.80 1otx n PHE 32 Cb 1.04 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 40.41 1otx n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1otx s LEU 33 N -2.66 3.79 0.14 4.37 1.43 -1.12 -4.68 118.68 119.95 1otx s LEU 33 Ca 0.00 -0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.11 1otx s LEU 33 Cb 0.02 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1otx s LEU 33 CO 0.14 0.12 -0.13 -1.61 0.23 0.00 0.00 176.35 175.10 1otx s GLU 34 N -2.74 1.96 -1.39 1.70 2.02 0.27 -4.61 118.70 115.90 1otx s GLU 34 Ca 0.30 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1otx s GLU 34 Cb -0.11 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1otx s GLU 34 CO 0.23 0.47 0.00 -0.25 0.02 0.00 0.00 175.26 175.72 1otx n ASP 35 N 0.48 -4.78 -4.75 -0.19 10.43 -1.26 -1.78 116.55 114.69 1otx n ASP 35 Ca -0.13 0.11 -0.38 0.00 2.57 0.00 0.00 54.79 56.97 1otx n ASP 35 Cb 0.54 -4.03 0.04 0.00 1.84 0.00 0.00 41.12 39.51 1otx n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1otx s ALA 36 N -2.79 2.71 0.02 2.24 0.00 -1.26 -4.67 121.76 118.01 1otx s ALA 36 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1otx s ALA 36 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1otx s ALA 36 CO 0.00 -1.28 -0.05 -0.98 0.00 0.00 0.00 175.76 173.44 1otx s ARG 37 N -3.04 0.40 0.05 0.00 1.70 -0.14 -4.95 118.95 112.97 1otx s ARG 37 Ca 0.74 -0.48 -0.30 0.00 -0.47 0.00 0.00 55.73 55.21 1otx s ARG 37 Cb -0.37 -0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 33.75 1otx s ARG 37 CO 0.42 0.04 1.04 -2.00 -1.08 0.00 0.00 175.30 173.72 1otx s GLU 38 N -0.97 4.55 0.00 3.89 2.12 -1.26 -1.51 118.70 125.52 1otx s GLU 38 Ca -0.07 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.80 1otx s GLU 38 Cb -0.07 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1otx s GLU 38 CO -0.00 -0.05 0.23 1.33 -0.54 0.00 0.00 175.26 176.23 1otx n VAL 39 N 3.60 0.00 -3.61 3.70 0.24 0.12 -4.95 118.33 117.43 1otx n VAL 39 Ca 0.06 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.76 1otx n VAL 39 Cb 0.49 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 1otx n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1otx s ASN 40 N -0.47 -0.68 0.00 -1.34 3.04 -1.21 -4.37 114.94 109.92 1otx s ASN 40 Ca 0.00 1.22 0.00 0.00 0.04 0.00 0.00 52.86 54.12 1otx s ASN 40 Cb 0.00 1.21 0.00 0.00 -1.54 0.00 0.00 41.25 40.92 1otx s ASN 40 CO 0.00 -0.29 0.02 -0.46 -3.04 0.00 0.00 177.10 173.34 1otx n ASN 41 N 2.31 0.05 -4.64 -4.21 0.23 -1.26 -1.15 115.26 106.58 1otx n ASN 41 Ca -0.14 -0.44 -0.53 0.00 -0.53 0.00 0.00 54.58 52.94 1otx n ASN 41 Cb 0.55 0.07 -0.06 0.00 -2.08 0.00 0.00 39.78 38.27 1otx n ASN 41 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1otx n VAL 42 N -0.07 0.15 -1.22 3.53 0.31 -1.26 0.15 118.33 119.92 1otx n VAL 42 Ca 0.00 -0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.23 1otx n VAL 42 Cb 0.09 -1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 1otx n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1otx n ARG 43 N 3.86 -1.42 -0.99 5.55 1.74 -1.26 -1.49 116.66 122.66 1otx n ARG 43 Ca 0.21 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 1otx n ARG 43 Cb 0.19 -4.92 0.00 0.00 -1.02 0.00 0.00 32.46 26.71 1otx n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1otx n GLY 44 N -0.27 0.54 3.51 -0.13 0.00 0.12 -4.94 105.19 104.03 1otx n GLY 44 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1otx n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1otx s MET 45 N -0.20 3.99 0.18 1.61 0.00 -0.55 -4.92 119.30 119.40 1otx s MET 45 Ca 0.00 -2.23 -0.31 0.00 0.00 0.00 0.00 55.69 53.15 1otx s MET 45 Cb 0.00 -5.24 -0.10 0.00 0.00 0.00 0.00 34.83 29.49 1otx s MET 45 CO 0.00 -1.97 1.56 -0.51 0.00 0.00 0.00 175.02 174.10 1otx s LEU 46 N 2.80 4.37 0.00 4.11 1.43 -1.26 -4.19 118.68 125.94 1otx s LEU 46 Ca 0.46 2.64 0.08 0.00 -1.03 0.00 0.00 54.13 56.28 1otx s LEU 46 Cb -0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1otx s LEU 46 CO 0.02 -0.82 -0.24 -0.83 0.23 0.00 0.00 176.35 174.71 1otx s GLY 47 N 1.04 1.20 0.04 -3.19 0.00 -0.30 -3.91 107.32 102.19 1otx s GLY 47 Ca 0.69 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 44.36 1otx s GLY 47 CO 0.33 -0.93 -0.09 -1.36 0.00 0.00 0.00 173.10 171.06 1otx s PHE 48 N -0.64 0.74 -0.01 1.90 0.08 0.98 0.13 117.98 121.15 1otx s PHE 48 Ca 0.09 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.75 1otx s PHE 48 Cb -0.09 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 41.91 1otx s PHE 48 CO 0.00 -0.05 -0.16 0.99 -0.10 0.00 0.00 175.22 175.90 1otx s THR 49 N -1.20 1.25 0.00 0.64 2.01 -0.57 -0.14 115.64 117.63 1otx s THR 49 Ca -0.07 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1otx s THR 49 Cb -0.09 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.37 1otx s THR 49 CO 0.01 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 1otx n GLY 50 N 2.74 2.05 3.19 4.40 0.00 0.12 -0.96 105.19 116.73 1otx n GLY 50 Ca -0.15 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 1otx n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1otx s THR 51 N -1.90 1.11 -0.21 2.61 -4.23 -0.74 0.64 115.64 112.93 1otx s THR 51 Ca 0.00 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1otx s THR 51 Cb 0.00 -1.31 0.06 0.00 1.34 0.00 0.00 72.50 72.59 1otx s THR 51 CO 0.00 -0.41 0.02 -0.47 -0.54 0.00 0.00 174.62 173.23 1otx s TYR 52 N -1.96 1.27 -1.42 3.99 6.14 0.76 -0.57 117.35 125.56 1otx s TYR 52 Ca 0.04 -1.04 -0.04 0.00 0.64 0.00 0.00 57.07 56.67 1otx s TYR 52 Cb -0.06 -1.14 0.03 0.00 0.42 0.00 0.00 41.96 41.21 1otx s TYR 52 CO 0.02 -0.65 0.68 1.63 0.64 0.00 0.00 175.55 177.86 1otx n LYS 53 N 4.98 -4.38 0.00 4.97 5.02 -1.26 -1.12 118.16 126.37 1otx n LYS 53 Ca -0.09 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1otx n LYS 53 Cb 0.46 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 1otx n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1otx n GLY 54 N -1.71 3.04 3.69 0.72 0.00 -1.26 -5.00 105.19 104.67 1otx n GLY 54 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1otx n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1otx s ARG 55 N -0.20 4.44 0.15 1.61 3.00 -0.28 -4.98 118.95 122.69 1otx s ARG 55 Ca 0.00 1.28 -0.30 0.00 -1.00 0.00 0.00 55.73 55.70 1otx s ARG 55 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 34.95 31.36 1otx s ARG 55 CO 0.00 -0.20 1.30 0.21 0.00 0.00 0.00 175.30 176.61 1otx s LYS 56 N 1.62 4.39 -0.02 5.12 2.20 -1.26 -0.17 119.74 131.62 1otx s LYS 56 Ca 0.46 1.99 -0.10 0.00 -0.36 0.00 0.00 55.97 57.96 1otx s LYS 56 Cb -0.19 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 1otx s LYS 56 CO 0.20 -0.28 0.22 0.42 -0.36 0.00 0.00 175.35 175.55 1otx s ILE 57 N 0.49 0.06 0.12 5.43 1.01 0.21 -4.71 121.20 123.81 1otx s ILE 57 Ca 0.58 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.84 1otx s ILE 57 Cb -0.35 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1otx s ILE 57 CO 0.34 -0.27 -0.25 -0.44 0.00 0.00 0.00 174.94 174.32 1otx s SER 58 N -1.11 3.13 -0.01 3.58 0.01 -0.80 0.15 113.70 118.65 1otx s SER 58 Ca -0.12 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1otx s SER 58 Cb -0.06 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1otx s SER 58 CO 0.02 0.15 -0.03 0.54 0.41 0.00 0.00 173.24 174.33 1otx s VAL 59 N -1.09 0.30 -0.27 3.43 0.11 0.81 -0.15 120.40 123.54 1otx s VAL 59 Ca 0.12 -0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1otx s VAL 59 Cb -0.10 -0.28 0.13 0.00 -1.53 0.00 0.00 36.38 34.60 1otx s VAL 59 CO 0.06 0.10 1.08 -0.32 -3.33 0.00 0.00 175.10 172.68 1otx s MET 60 N 0.13 0.46 0.40 1.54 0.00 -0.88 -0.02 119.30 120.93 1otx s MET 60 Ca -0.01 0.48 -0.25 0.00 0.00 0.00 0.00 55.69 55.91 1otx s MET 60 Cb -0.04 0.22 -0.09 0.00 0.00 0.00 0.00 34.83 34.93 1otx s MET 60 CO -0.00 -0.07 1.14 0.20 0.00 0.00 0.00 175.02 176.29 1otx s GLY 61 N 0.03 2.85 0.00 2.11 0.00 -1.25 -3.69 107.32 107.37 1otx s GLY 61 Ca 0.03 0.91 0.16 0.00 0.00 0.00 0.00 44.72 45.82 1otx s GLY 61 CO -0.06 1.40 1.07 -2.39 0.00 0.00 0.00 173.10 173.12 1otx n HIS 62 N 0.07 0.09 -0.41 1.90 1.44 -0.77 -4.93 115.22 112.61 1otx n HIS 62 Ca 0.04 -0.07 0.05 0.00 -2.01 0.00 0.00 57.72 55.74 1otx n HIS 62 Cb 0.47 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.56 1otx n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1otx n GLY 63 N 0.94 -2.47 3.62 -1.39 0.00 -1.19 -2.40 105.19 102.30 1otx n GLY 63 Ca 0.11 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1otx n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1otx s VAL 64 N -2.83 4.51 0.00 1.61 1.01 -1.26 -4.45 120.40 118.99 1otx s VAL 64 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1otx s VAL 64 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1otx s VAL 64 CO 0.00 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.15 1otx n GLY 65 N 4.21 2.36 0.11 4.51 0.00 -1.25 -4.48 105.19 110.66 1otx n GLY 65 Ca 0.10 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 1otx n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1otx h ILE 66 N 0.00 1.20 -0.90 -0.61 2.04 -1.79 -2.80 117.51 114.64 1otx h ILE 66 Ca 0.00 -0.62 0.12 0.00 1.00 0.00 0.00 64.86 65.37 1otx h ILE 66 Cb 0.00 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 1otx h ILE 66 CO 0.00 0.19 0.53 -0.65 0.00 0.00 0.00 178.15 178.21 1otx h PRO 67 N 0.10 0.79 0.55 2.37 0.11 -1.91 -0.45 132.00 133.56 1otx h PRO 67 Ca 0.06 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1otx h PRO 67 Cb 0.25 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.18 1otx h PRO 67 CO -0.00 0.52 -0.26 1.03 -0.21 0.00 0.00 178.00 179.08 1otx h SER 68 N 0.82 -0.63 0.10 -2.05 0.87 -1.76 -2.93 113.55 107.96 1otx h SER 68 Ca 0.46 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1otx h SER 68 Cb 0.51 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1otx h SER 68 CO -0.29 -0.39 -0.02 0.00 -0.53 0.00 0.00 176.83 175.60 1otx h SER 70 N 0.00 0.87 0.46 0.00 0.02 -1.01 -0.47 113.55 113.42 1otx h SER 70 Ca -0.00 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1otx h SER 70 Cb 0.07 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1otx h SER 70 CO 0.00 0.89 -0.22 0.40 -1.14 0.00 0.00 176.83 176.76 1otx h ILE 71 N 0.86 0.49 -0.28 3.27 2.04 -0.97 -2.57 117.51 120.36 1otx h ILE 71 Ca 0.18 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1otx h ILE 71 Cb 0.40 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1otx h ILE 71 CO 0.01 0.06 0.07 1.88 0.00 0.00 0.00 178.15 180.17 1otx h TYR 72 N -0.85 0.46 -0.68 1.37 0.05 -1.49 -1.70 116.97 114.14 1otx h TYR 72 Ca -0.06 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 1otx h TYR 72 Cb 0.57 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 1otx h TYR 72 CO 0.00 0.51 0.41 1.79 -1.05 0.00 0.00 178.16 179.82 1otx h THR 73 N 0.28 1.19 0.25 -2.88 1.35 -1.18 -1.15 112.91 110.78 1otx h THR 73 Ca 0.09 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1otx h THR 73 Cb 0.27 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1otx h THR 73 CO -0.00 0.20 -0.12 0.50 -0.25 0.00 0.00 175.52 175.85 1otx h LYS 74 N 0.92 -0.32 -0.96 4.72 3.11 -1.33 0.45 116.57 123.16 1otx h LYS 74 Ca 0.24 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.14 1otx h LYS 74 Cb -0.04 0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 31.21 1otx h LYS 74 CO -0.05 -0.18 0.62 0.93 -2.81 0.00 0.00 179.45 177.97 1otx h GLU 75 N -0.38 1.17 -0.15 1.90 5.08 -1.18 -0.42 114.58 120.59 1otx h GLU 75 Ca -0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1otx h GLU 75 Cb 0.29 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1otx h GLU 75 CO 0.06 0.77 0.04 -0.07 -1.00 0.00 0.00 179.01 178.81 1otx h LEU 76 N 1.20 0.23 0.64 1.33 3.38 -0.97 0.30 115.31 121.42 1otx h LEU 76 Ca 0.39 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1otx h LEU 76 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1otx h LEU 76 CO -0.13 0.40 -0.44 0.40 0.09 0.00 0.00 178.44 178.75 1otx h ILE 77 N 0.05 0.00 0.00 1.22 1.08 -0.45 -1.99 117.51 117.42 1otx h ILE 77 Ca 0.05 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.45 1otx h ILE 77 Cb 0.26 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 1otx h ILE 77 CO 0.00 0.00 -0.35 0.71 -0.69 0.00 0.00 178.15 177.82 1otx h THR 78 N -1.03 0.70 0.00 -0.27 1.35 -1.13 -3.20 112.91 109.34 1otx h THR 78 Ca -0.09 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1otx h THR 78 Cb 0.84 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1otx h THR 78 CO 0.05 0.34 -1.15 0.47 -0.25 0.00 0.00 175.52 174.98 1otx n ASP 79 N -3.34 2.65 -0.10 5.36 9.92 0.10 -4.67 116.55 126.48 1otx n ASP 79 Ca 0.01 -0.14 0.08 0.00 -0.53 0.00 0.00 54.79 54.21 1otx n ASP 79 Cb 0.57 1.28 0.11 0.00 -0.64 0.00 0.00 41.12 42.43 1otx n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1otx n PHE 80 N -1.65 0.00 -2.74 1.24 3.01 -0.82 -4.50 117.46 112.00 1otx n PHE 80 Ca -0.01 -0.82 -0.18 0.00 1.01 0.00 0.00 57.45 57.45 1otx n PHE 80 Cb 0.18 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1otx n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1otx n GLY 81 N -1.16 -0.50 3.71 1.37 0.00 -1.12 -4.65 105.19 102.84 1otx n GLY 81 Ca 0.12 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1otx n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1otx s VAL 82 N -2.84 3.88 -0.19 1.61 1.01 -0.81 -4.72 120.40 118.35 1otx s VAL 82 Ca 0.14 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.46 1otx s VAL 82 Cb -0.07 -3.86 -0.22 0.00 0.00 0.00 0.00 36.38 32.24 1otx s VAL 82 CO 0.17 0.09 0.08 0.29 0.00 0.00 0.00 175.10 175.74 1otx n LYS 83 N 4.07 0.70 -4.52 2.72 4.01 0.36 -4.42 118.16 121.08 1otx n LYS 83 Ca 0.10 0.19 -0.22 0.00 -0.51 0.00 0.00 58.31 57.87 1otx n LYS 83 Cb 0.45 -1.61 -0.14 0.00 -0.51 0.00 0.00 35.03 33.22 1otx n LYS 83 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1otx s LYS 84 N -2.54 1.11 -0.09 1.97 1.02 -0.51 -0.48 119.74 120.23 1otx s LYS 84 Ca -0.27 -0.72 -0.00 0.00 0.02 0.00 0.00 55.97 55.00 1otx s LYS 84 Cb 0.08 -1.13 0.02 0.00 -0.52 0.00 0.00 37.83 36.28 1otx s LYS 84 CO 0.70 0.29 -0.05 0.42 -0.92 0.00 0.00 175.35 175.79 1otx s ILE 85 N -0.68 0.76 -0.27 2.17 -1.09 -0.42 -1.68 121.20 119.99 1otx s ILE 85 Ca 0.04 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.28 1otx s ILE 85 Cb -0.07 -0.81 0.02 0.00 -1.58 0.00 0.00 42.46 40.01 1otx s ILE 85 CO 0.01 0.31 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.39 1otx s ILE 86 N 1.62 3.23 -0.11 2.92 1.01 -0.09 -1.39 121.20 128.39 1otx s ILE 86 Ca 0.02 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 1otx s ILE 86 Cb -0.13 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1otx s ILE 86 CO -0.05 0.14 0.61 -0.60 0.00 0.00 0.00 174.94 175.04 1otx s ARG 87 N 1.38 4.36 -0.14 2.79 3.52 -0.02 0.59 118.95 131.43 1otx s ARG 87 Ca 0.01 0.69 0.02 0.00 -0.13 0.00 0.00 55.73 56.31 1otx s ARG 87 Cb -0.17 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1otx s ARG 87 CO -0.02 0.04 -0.18 0.14 -0.81 0.00 0.00 175.30 174.47 1otx s VAL 88 N 0.95 1.79 0.00 7.11 -7.23 -0.79 -0.50 120.40 121.73 1otx s VAL 88 Ca 0.32 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 1otx s VAL 88 Cb -0.16 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.15 1otx s VAL 88 CO 0.14 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 176.04 1otx n GLY 89 N 4.32 2.15 3.73 2.32 0.00 -0.73 -3.79 105.19 113.21 1otx n GLY 89 Ca -0.19 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1otx n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1otx s SER 90 N 2.00 4.09 0.21 1.61 1.04 -1.26 -1.30 113.70 120.09 1otx s SER 90 Ca 0.00 -1.58 -0.21 0.00 0.48 0.00 0.00 55.95 54.64 1otx s SER 90 Cb 0.00 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.47 1otx s SER 90 CO 0.00 -0.77 0.63 0.00 0.98 0.00 0.00 173.24 174.08 1otx s GLY 92 N -2.84 2.12 0.15 0.00 0.00 -0.45 -0.40 107.32 105.91 1otx s GLY 92 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.09 1otx s GLY 92 CO -0.04 -0.53 0.22 0.00 0.00 0.00 0.00 173.10 172.76 1otx s ALA 93 N -1.13 3.82 0.00 3.20 0.00 -0.98 0.99 121.76 127.65 1otx s ALA 93 Ca 0.20 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1otx s ALA 93 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1otx s ALA 93 CO 0.10 0.54 0.00 1.33 0.00 0.00 0.00 175.76 177.73 1otx n VAL 94 N -0.42 0.00 -3.02 0.00 0.24 -1.26 -2.04 118.33 111.83 1otx n VAL 94 Ca -0.07 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.34 61.71 1otx n VAL 94 Cb 0.54 0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 1otx n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1otx s LEU 95 N -2.26 4.58 0.36 1.34 1.43 -1.26 -4.84 118.68 118.02 1otx s LEU 95 Ca 0.00 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.73 1otx s LEU 95 Cb 0.00 -3.24 0.67 0.00 0.03 0.00 0.00 46.19 43.65 1otx s LEU 95 CO 0.00 0.21 1.96 -0.65 0.23 0.00 0.00 176.35 178.09 1otx h PRO 96 N 4.44 0.62 -0.03 1.29 0.11 -1.98 -2.45 132.00 134.00 1otx h PRO 96 Ca -0.47 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1otx h PRO 96 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1otx h PRO 96 CO 0.66 0.51 0.00 -2.39 -0.21 0.00 0.00 178.00 176.57 1otx n HIS 97 N -4.37 0.04 -3.28 0.65 1.44 -1.26 -4.62 115.22 103.81 1otx n HIS 97 Ca 0.03 -0.02 -0.46 0.00 -2.01 0.00 0.00 57.72 55.27 1otx n HIS 97 Cb 0.14 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.20 1otx n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1otx s VAL 98 N -1.96 5.14 0.76 0.61 1.01 -0.92 -5.06 120.40 119.98 1otx s VAL 98 Ca 0.36 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 1otx s VAL 98 Cb 0.17 -4.34 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1otx s VAL 98 CO 0.28 -0.88 1.13 -0.54 0.00 0.00 0.00 175.10 175.10 1otx s LYS 99 N 1.80 2.44 0.47 2.72 -0.14 -1.26 -4.84 119.74 120.92 1otx s LYS 99 Ca 0.05 0.34 -0.23 0.00 -1.36 0.00 0.00 55.97 54.77 1otx s LYS 99 Cb -0.28 -1.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.81 1otx s LYS 99 CO 0.04 -1.31 1.19 -0.51 -0.76 0.00 0.00 175.35 174.00 1otx s LEU 100 N -5.49 3.99 0.00 3.17 1.02 -1.26 -2.84 118.68 117.27 1otx s LEU 100 Ca 0.60 2.35 0.00 0.00 0.02 0.00 0.00 54.13 57.10 1otx s LEU 100 Cb -0.11 -4.25 0.00 0.00 0.02 0.00 0.00 46.19 41.85 1otx s LEU 100 CO 0.51 -0.99 0.00 0.54 0.02 0.00 0.00 176.35 176.43 1otx n ARG 101 N -0.55 -0.03 -2.12 1.70 1.74 0.01 -4.92 116.66 112.49 1otx n ARG 101 Ca 0.08 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.78 1otx n ARG 101 Cb 0.48 -2.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 1otx n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1otx s ASP 102 N -2.79 6.03 -0.11 0.55 1.11 -1.13 -4.58 116.67 115.76 1otx s ASP 102 Ca 0.00 2.47 -0.15 0.00 0.18 0.00 0.00 52.55 55.05 1otx s ASP 102 Cb 0.00 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 1otx s ASP 102 CO 0.00 -1.02 0.37 -0.69 1.18 0.00 0.00 175.17 175.00 1otx s VAL 103 N -1.43 5.21 -0.06 -1.27 1.01 -1.25 -1.16 120.40 121.45 1otx s VAL 103 Ca 0.63 0.72 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1otx s VAL 103 Cb -0.33 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1otx s VAL 103 CO 0.40 0.43 -0.17 -0.69 0.00 0.00 0.00 175.10 175.07 1otx s VAL 104 N 0.08 1.50 -0.22 2.92 1.01 0.76 -1.05 120.40 125.41 1otx s VAL 104 Ca 0.21 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1otx s VAL 104 Cb -0.14 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1otx s VAL 104 CO 0.08 0.43 0.00 -0.63 0.00 0.00 0.00 175.10 174.98 1otx s ILE 105 N 0.30 3.85 -1.21 2.22 -1.09 0.12 -1.26 121.20 124.13 1otx s ILE 105 Ca -0.11 -0.34 -0.18 0.00 -2.23 0.00 0.00 60.65 57.80 1otx s ILE 105 Cb -0.14 -2.76 0.09 0.00 -1.58 0.00 0.00 42.46 38.07 1otx s ILE 105 CO 0.04 0.41 1.59 -0.83 -1.23 0.00 0.00 174.94 174.93 1otx s GLY 106 N 1.26 1.75 0.43 6.18 0.00 -0.55 -1.88 107.32 114.51 1otx s GLY 106 Ca 0.04 -2.89 0.10 0.00 0.00 0.00 0.00 44.72 41.96 1otx s GLY 106 CO 0.01 2.54 2.05 1.98 0.00 0.00 0.00 173.10 179.68 1otx h MET 107 N 7.92 0.44 -4.09 2.90 4.05 -1.38 -3.37 114.93 121.40 1otx h MET 107 Ca 0.36 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.62 1otx h MET 107 Cb 0.90 -0.10 -0.13 0.00 -0.80 0.00 0.00 31.60 31.47 1otx h MET 107 CO 1.39 0.29 -0.45 0.20 0.23 0.00 0.00 176.91 178.57 1otx s GLY 108 N -3.76 0.67 -0.14 1.39 0.00 -1.02 -1.13 107.32 103.33 1otx s GLY 108 Ca -0.08 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 1otx s GLY 108 CO 0.73 -1.04 0.15 0.00 0.00 0.00 0.00 173.10 172.94 1otx s ALA 109 N -4.00 0.01 0.79 3.20 0.00 -0.47 -0.50 121.76 120.80 1otx s ALA 109 Ca 0.20 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 1otx s ALA 109 Cb 0.05 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.21 1otx s ALA 109 CO 0.01 -0.94 1.13 0.00 0.00 0.00 0.00 175.76 175.96 1otx s THR 111 N -3.40 0.00 -0.64 0.00 -1.32 -1.26 0.07 115.64 109.08 1otx s THR 111 Ca 0.61 -0.12 0.09 0.00 -1.21 0.00 0.00 61.69 61.05 1otx s THR 111 Cb -0.12 -1.21 0.24 0.00 -1.51 0.00 0.00 72.50 69.90 1otx s THR 111 CO 0.51 0.00 1.20 -0.90 -2.21 0.00 0.00 174.62 173.22 1otx n ASP 112 N -0.27 2.74 -4.90 8.08 3.85 -1.22 -4.98 116.55 119.85 1otx n ASP 112 Ca -0.07 -2.08 -0.28 0.00 -0.71 0.00 0.00 54.79 51.65 1otx n ASP 112 Cb 0.61 -0.20 0.05 0.00 -1.35 0.00 0.00 41.12 40.23 1otx n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1otx s SER 113 N -1.09 5.30 0.00 -1.12 0.15 -1.26 -4.89 113.70 110.79 1otx s SER 113 Ca 0.19 0.86 0.16 0.00 0.70 0.00 0.00 55.95 57.85 1otx s SER 113 Cb 0.11 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1otx s SER 113 CO 0.11 -1.34 0.86 0.29 1.20 0.00 0.00 173.24 174.36 1otx n LYS 114 N -2.88 1.66 -0.18 5.44 5.02 -1.26 -4.68 118.16 121.27 1otx n LYS 114 Ca 0.06 -0.84 -0.01 0.00 -2.02 0.00 0.00 58.31 55.50 1otx n LYS 114 Cb 0.58 -1.27 0.06 0.00 -0.02 0.00 0.00 35.03 34.38 1otx n LYS 114 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1otx h VAL 115 N 1.86 0.47 0.00 -0.18 -1.51 -1.99 0.04 116.25 114.94 1otx h VAL 115 Ca 0.00 -0.01 -0.11 0.00 -1.23 0.00 0.00 66.70 65.35 1otx h VAL 115 Cb 0.55 0.43 -0.02 0.00 -2.13 0.00 0.00 31.29 30.12 1otx h VAL 115 CO 0.00 0.01 -0.53 0.78 -1.23 0.00 0.00 177.57 176.59 1otx h ASN 116 N 0.03 0.00 0.19 4.19 -0.26 -1.93 -1.99 115.58 115.82 1otx h ASN 116 Ca 0.28 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.87 1otx h ASN 116 Cb 0.43 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1otx h ASN 116 CO -0.55 0.53 -0.57 0.03 -1.06 0.00 0.00 177.43 175.81 1otx h ARG 117 N 0.00 0.39 -0.58 0.81 3.08 -1.49 0.79 114.38 117.38 1otx h ARG 117 Ca -0.01 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.73 1otx h ARG 117 Cb 0.98 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 1otx h ARG 117 CO 0.07 0.85 0.10 0.82 -1.07 0.00 0.00 179.97 180.75 1otx h ILE 118 N 0.30 1.24 0.03 2.04 2.04 -0.81 0.44 117.51 122.80 1otx h ILE 118 Ca 0.00 -0.92 -0.27 0.00 1.00 0.00 0.00 64.86 64.67 1otx h ILE 118 Cb 1.09 0.69 0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1otx h ILE 118 CO 0.10 0.34 -1.07 0.03 0.00 0.00 0.00 178.15 177.55 1otx h ARG 119 N 0.87 0.62 -0.96 2.37 3.08 -0.82 -3.37 114.38 116.17 1otx h ARG 119 Ca 0.18 -0.71 -0.64 0.00 0.07 0.00 0.00 59.98 58.89 1otx h ARG 119 Cb 0.37 0.21 -0.30 0.00 0.08 0.00 0.00 29.97 30.33 1otx h ARG 119 CO 0.01 1.29 0.68 0.34 -1.07 0.00 0.00 179.97 181.22 1otx n PHE 120 N -3.81 3.13 -3.97 3.04 7.35 0.27 -4.90 117.46 118.57 1otx n PHE 120 Ca -0.11 -2.80 -0.31 0.00 -0.76 0.00 0.00 57.45 53.47 1otx n PHE 120 Cb 0.90 -1.28 0.02 0.00 0.35 0.00 0.00 39.48 39.46 1otx n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1otx n LYS 121 N -0.93 -4.99 -2.03 -4.13 4.76 -1.14 -1.07 118.16 108.63 1otx n LYS 121 Ca 0.60 0.55 -0.20 0.00 -2.87 0.00 0.00 58.31 56.40 1otx n LYS 121 Cb 0.81 -5.37 -0.04 0.00 -1.84 0.00 0.00 35.03 28.58 1otx n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1otx n ASP 122 N -2.82 -5.47 -4.13 4.39 2.03 0.15 -4.99 116.55 105.72 1otx n ASP 122 Ca 0.02 0.23 -0.17 0.00 0.52 0.00 0.00 54.79 55.39 1otx n ASP 122 Cb 0.53 -4.69 0.02 0.00 -0.72 0.00 0.00 41.12 36.26 1otx n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1otx n HIS 123 N -3.20 -1.51 -2.96 -0.67 8.25 -0.23 -5.01 115.22 109.88 1otx n HIS 123 Ca -0.22 -1.66 -0.43 0.00 -0.26 0.00 0.00 57.72 55.15 1otx n HIS 123 Cb 0.67 -0.36 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 1otx n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1otx s ASP 124 N -3.50 6.35 -0.18 0.41 -0.00 -1.26 -4.59 116.67 113.91 1otx s ASP 124 Ca 0.32 -0.32 -0.16 0.00 -0.00 0.00 0.00 52.55 52.39 1otx s ASP 124 Cb -0.03 -2.38 -0.04 0.00 -0.00 0.00 0.00 42.92 40.47 1otx s ASP 124 CO 0.20 -1.00 0.40 0.12 -0.00 0.00 0.00 175.17 174.90 1otx s PHE 125 N 3.36 3.42 -0.84 4.23 5.36 -1.26 -5.01 117.98 127.24 1otx s PHE 125 Ca 0.27 0.68 -0.23 0.00 -0.96 0.00 0.00 56.93 56.69 1otx s PHE 125 Cb -0.13 -2.51 0.07 0.00 -0.34 0.00 0.00 43.02 40.11 1otx s PHE 125 CO 0.20 0.07 1.22 0.00 -1.46 0.00 0.00 175.22 175.25 1otx s ALA 126 N 1.02 2.95 -0.40 11.12 0.00 -1.26 -4.95 121.76 130.24 1otx s ALA 126 Ca 0.20 -2.02 -0.28 0.00 0.00 0.00 0.00 51.96 49.87 1otx s ALA 126 Cb -0.14 -4.19 -0.03 0.00 0.00 0.00 0.00 23.12 18.75 1otx s ALA 126 CO 0.08 -3.19 1.94 0.00 0.00 0.00 0.00 175.76 174.58 1otx s ALA 127 N 4.49 2.54 0.21 0.00 0.00 -1.26 -4.94 121.76 122.80 1otx s ALA 127 Ca 0.34 0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.48 1otx s ALA 127 Cb -0.07 -4.13 -0.05 0.00 0.00 0.00 0.00 23.12 18.87 1otx s ALA 127 CO 0.02 -3.16 -0.17 0.96 0.00 0.00 0.00 175.76 173.41 1otx s ILE 128 N 8.20 1.93 0.71 0.00 -4.36 -1.26 -1.36 121.20 125.06 1otx s ILE 128 Ca 0.82 -2.16 -0.06 0.00 -0.26 0.00 0.00 60.65 58.99 1otx s ILE 128 Cb -0.21 -2.04 0.08 0.00 1.25 0.00 0.00 42.46 41.54 1otx s ILE 128 CO 0.30 -0.46 1.01 0.00 0.24 0.00 0.00 174.94 176.03 1otx s ALA 129 N -2.57 3.24 -0.10 2.27 0.00 -0.28 -4.85 121.76 119.48 1otx s ALA 129 Ca 0.22 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1otx s ALA 129 Cb -0.03 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1otx s ALA 129 CO 0.08 -1.37 1.08 0.34 0.00 0.00 0.00 175.76 175.89 1otx s ASP 130 N -4.57 7.17 0.13 0.00 -1.08 -0.50 -4.94 116.67 112.87 1otx s ASP 130 Ca 0.62 1.62 -0.27 0.00 -0.52 0.00 0.00 52.55 54.00 1otx s ASP 130 Cb -0.09 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.77 1otx s ASP 130 CO 0.45 -0.51 1.61 0.15 0.52 0.00 0.00 175.17 177.38 1otx h PHE 131 N 7.25 -0.94 -0.93 -5.34 3.57 -1.95 -0.17 116.94 118.43 1otx h PHE 131 Ca -0.31 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.37 1otx h PHE 131 Cb 1.15 0.43 -0.09 0.00 2.79 0.00 0.00 35.95 40.22 1otx h PHE 131 CO 0.72 -0.42 0.54 -0.44 -2.23 0.00 0.00 178.31 176.48 1otx h ASP 132 N -0.45 0.72 0.16 0.41 3.45 -1.99 0.41 116.42 119.13 1otx h ASP 132 Ca 0.08 0.08 -0.06 0.00 0.43 0.00 0.00 57.03 57.56 1otx h ASP 132 Cb 0.57 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1otx h ASP 132 CO -0.33 0.32 -0.24 0.24 -1.57 0.00 0.00 179.24 177.67 1otx h MET 133 N 0.77 0.14 0.05 3.56 2.86 -1.69 0.50 114.93 121.12 1otx h MET 133 Ca 0.50 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1otx h MET 133 Cb 0.66 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1otx h MET 133 CO -0.33 0.38 -0.02 0.28 1.06 0.00 0.00 176.91 178.27 1otx h VAL 134 N 0.13 1.28 -0.11 -2.22 2.07 0.15 -2.64 116.25 114.92 1otx h VAL 134 Ca 0.02 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1otx h VAL 134 Cb 0.50 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1otx h VAL 134 CO 0.03 0.30 -0.10 -0.09 0.02 0.00 0.00 177.57 177.74 1otx h ARG 135 N -0.63 0.17 -0.26 1.57 2.43 -0.70 -1.00 114.38 115.95 1otx h ARG 135 Ca -0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1otx h ARG 135 Cb 0.55 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1otx h ARG 135 CO 0.01 0.28 0.06 -0.91 -1.51 0.00 0.00 179.97 177.89 1otx h ASN 136 N 0.16 0.40 -0.81 -3.80 2.35 -0.92 0.25 115.58 113.21 1otx h ASN 136 Ca 0.04 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1otx h ASN 136 Cb 0.28 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1otx h ASN 136 CO 0.02 0.54 0.51 0.00 -1.65 0.00 0.00 177.43 176.85 1otx h ALA 137 N 0.88 1.04 -0.44 -0.83 0.00 -1.05 0.21 119.26 119.07 1otx h ALA 137 Ca 0.08 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1otx h ALA 137 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1otx h ALA 137 CO 0.00 0.48 -0.08 0.28 0.00 0.00 0.00 179.25 179.93 1otx h VAL 138 N 1.11 1.27 -0.42 0.00 2.07 -0.95 -0.38 116.25 118.96 1otx h VAL 138 Ca 0.29 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 1otx h VAL 138 Cb -0.08 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1otx h VAL 138 CO -0.06 0.40 -0.12 0.44 0.02 0.00 0.00 177.57 178.25 1otx h ASP 139 N 0.65 0.83 -0.38 0.57 3.45 -0.57 -0.77 116.42 120.20 1otx h ASP 139 Ca 0.11 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1otx h ASP 139 Cb 0.61 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1otx h ASP 139 CO 0.04 1.01 0.25 0.00 -1.57 0.00 0.00 179.24 178.97 1otx h ALA 140 N 0.85 0.48 -0.10 3.45 0.00 -0.52 -0.14 119.26 123.28 1otx h ALA 140 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1otx h ALA 140 Cb 0.66 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1otx h ALA 140 CO 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.19 1otx h ALA 141 N 1.14 0.05 -0.58 0.00 0.00 -0.91 -1.85 119.26 117.12 1otx h ALA 141 Ca 0.14 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1otx h ALA 141 Cb -0.05 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1otx h ALA 141 CO -0.03 -0.50 0.17 -0.22 0.00 0.00 0.00 179.25 178.67 1otx h LYS 142 N -0.02 0.31 0.00 0.00 1.63 -0.62 0.69 116.57 118.55 1otx h LYS 142 Ca 0.05 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1otx h LYS 142 Cb 0.10 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1otx h LYS 142 CO -0.12 0.21 -0.04 0.00 -3.45 0.00 0.00 179.45 176.05 1otx h ALA 143 N 1.43 1.92 -0.29 5.00 0.00 -0.46 0.16 119.26 127.02 1otx h ALA 143 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1otx h ALA 143 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1otx h ALA 143 CO -0.34 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.24 1otx n LEU 144 N -4.47 1.64 -0.64 0.00 4.77 0.03 -4.88 117.00 113.45 1otx n LEU 144 Ca -0.03 -0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 55.06 1otx n LEU 144 Cb 0.12 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1otx n LEU 144 CO 0.34 0.40 -0.08 0.61 -1.33 0.00 0.00 177.39 177.34 1otx n GLY 145 N 1.01 0.98 3.86 -0.72 0.00 0.56 -5.00 105.19 105.88 1otx n GLY 145 Ca 0.11 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1otx n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1otx s ILE 146 N -2.16 5.17 -0.20 -0.61 -1.09 -0.03 -4.98 121.20 117.29 1otx s ILE 146 Ca 0.00 0.54 -0.19 0.00 -2.23 0.00 0.00 60.65 58.77 1otx s ILE 146 Cb 0.00 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1otx s ILE 146 CO 0.00 0.49 0.56 -1.81 -1.23 0.00 0.00 174.94 172.95 1otx s ASP 147 N -1.31 6.60 -0.14 3.58 1.01 -1.26 -3.62 116.67 121.53 1otx s ASP 147 Ca 0.25 0.72 0.02 0.00 0.71 0.00 0.00 52.55 54.25 1otx s ASP 147 Cb -0.15 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.48 1otx s ASP 147 CO 0.13 -0.22 -0.21 0.00 0.21 0.00 0.00 175.17 175.08 1otx s ALA 148 N 1.78 2.15 -0.01 5.23 0.00 -1.26 -3.90 121.76 125.76 1otx s ALA 148 Ca 0.25 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.00 1otx s ALA 148 Cb -0.16 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.93 1otx s ALA 148 CO 0.10 -0.07 0.52 0.50 0.00 0.00 0.00 175.76 176.81 1otx s ARG 149 N 0.89 4.19 -0.06 0.00 6.06 -0.22 -4.94 118.95 124.88 1otx s ARG 149 Ca -0.06 0.60 0.05 0.00 -2.50 0.00 0.00 55.73 53.82 1otx s ARG 149 Cb -0.15 -3.30 -0.01 0.00 0.06 0.00 0.00 34.95 31.55 1otx s ARG 149 CO -0.03 0.48 -0.23 0.08 -2.50 0.00 0.00 175.30 173.10 1otx s VAL 150 N -0.49 1.91 -1.14 7.11 1.01 -1.26 0.13 120.40 127.66 1otx s VAL 150 Ca 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1otx s VAL 150 Cb -0.18 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1otx s VAL 150 CO 0.15 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1otx n GLY 151 N 3.10 -0.77 3.84 4.51 0.00 -0.79 -4.94 105.19 110.15 1otx n GLY 151 Ca -0.18 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1otx n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1otx s ASN 152 N -4.00 6.83 0.35 1.61 0.01 -1.26 -0.97 114.94 117.50 1otx s ASN 152 Ca 0.00 1.11 0.09 0.00 -0.71 0.00 0.00 52.86 53.34 1otx s ASN 152 Cb 0.00 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 1otx s ASN 152 CO 0.00 0.06 0.08 -0.76 -1.51 0.00 0.00 177.10 174.97 1otx s LEU 153 N -2.11 3.10 -0.14 0.60 1.43 0.35 -1.10 118.68 120.80 1otx s LEU 153 Ca 0.40 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1otx s LEU 153 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1otx s LEU 153 CO 0.19 -0.29 -0.13 0.12 0.23 0.00 0.00 176.35 176.47 1otx s PHE 154 N -2.49 2.07 -0.59 0.29 5.36 -0.26 0.74 117.98 123.11 1otx s PHE 154 Ca 0.36 -1.15 -0.18 0.00 -0.96 0.00 0.00 56.93 55.00 1otx s PHE 154 Cb -0.01 -1.54 0.11 0.00 -0.34 0.00 0.00 43.02 41.24 1otx s PHE 154 CO 0.21 -0.64 0.68 -1.12 -1.46 0.00 0.00 175.22 172.88 1otx s SER 155 N 1.49 6.19 0.27 6.13 0.01 0.11 -0.69 113.70 127.21 1otx s SER 155 Ca 0.04 -1.51 -0.25 0.00 1.31 0.00 0.00 55.95 55.55 1otx s SER 155 Cb -0.13 -2.29 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 1otx s SER 155 CO -0.10 -1.07 0.87 0.00 0.41 0.00 0.00 173.24 173.34 1otx s ALA 156 N 2.50 3.30 -0.14 1.44 0.00 -0.21 -3.37 121.76 125.27 1otx s ALA 156 Ca 0.10 0.41 0.21 0.00 0.00 0.00 0.00 51.96 52.69 1otx s ALA 156 Cb -0.25 -3.06 -0.15 0.00 0.00 0.00 0.00 23.12 19.66 1otx s ALA 156 CO 0.05 0.23 0.75 -0.25 0.00 0.00 0.00 175.76 176.55 1otx n ASP 157 N 0.78 0.52 -4.06 0.00 10.43 -1.26 -4.53 116.55 118.43 1otx n ASP 157 Ca -0.00 0.21 -0.32 0.00 2.57 0.00 0.00 54.79 57.25 1otx n ASP 157 Cb 0.50 0.94 -0.15 0.00 1.84 0.00 0.00 41.12 44.25 1otx n ASP 157 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1otx s LEU 158 N -5.17 2.94 0.34 0.64 1.43 -1.26 -4.95 118.68 112.65 1otx s LEU 158 Ca -0.04 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 51.95 1otx s LEU 158 Cb 0.11 -1.46 0.62 0.00 0.03 0.00 0.00 46.19 45.49 1otx s LEU 158 CO 0.84 -0.15 1.90 0.15 0.23 0.00 0.00 176.35 179.32 1otx h PHE 159 N 7.85 0.57 -3.24 0.29 3.04 -1.97 -3.16 116.94 120.32 1otx h PHE 159 Ca -0.26 -0.04 -0.70 0.00 3.98 0.00 0.00 57.97 60.94 1otx h PHE 159 Cb 1.07 -0.17 -0.35 0.00 2.56 0.00 0.00 35.95 39.06 1otx h PHE 159 CO 0.57 0.52 -0.07 0.66 -2.02 0.00 0.00 178.31 177.97 1otx n TYR 160 N -4.31 4.12 -2.71 0.41 4.01 -1.26 -5.07 117.16 112.35 1otx n TYR 160 Ca 0.02 -4.07 -0.36 0.00 -0.16 0.00 0.00 57.90 53.33 1otx n TYR 160 Cb 0.21 -1.12 -0.06 0.00 -0.31 0.00 0.00 39.34 38.07 1otx n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1otx s SER 161 N -0.36 7.12 0.48 7.72 0.15 -1.20 -4.96 113.70 122.66 1otx s SER 161 Ca 0.29 1.89 0.27 0.00 0.70 0.00 0.00 55.95 59.09 1otx s SER 161 Cb -0.05 -2.58 0.75 0.00 -1.71 0.00 0.00 66.02 62.43 1otx s SER 161 CO -0.11 -0.23 1.76 -0.65 1.20 0.00 0.00 173.24 175.21 1otx h PRO 162 N 2.84 0.00 -4.35 5.44 0.11 -1.97 -3.40 132.00 130.67 1otx h PRO 162 Ca -0.47 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 64.90 1otx h PRO 162 Cb 1.20 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.08 1otx h PRO 162 CO 0.64 0.03 0.10 0.34 -0.21 0.00 0.00 178.00 178.90 1otx s ASP 163 N -6.02 6.39 0.10 -2.05 -1.08 -1.26 -4.88 116.67 107.87 1otx s ASP 163 Ca 0.04 -1.92 0.26 0.00 -0.52 0.00 0.00 52.55 50.41 1otx s ASP 163 Cb 0.07 -2.26 0.99 0.00 -1.46 0.00 0.00 42.92 40.25 1otx s ASP 163 CO 0.62 -0.90 1.80 0.61 0.52 0.00 0.00 175.17 177.82 1otx n GLY 164 N 4.96 -1.50 0.15 2.66 0.00 -1.26 -3.11 105.19 107.08 1otx n GLY 164 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1otx n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1otx h GLU 165 N 0.00 0.00 0.00 1.61 4.81 -1.97 -3.26 114.58 115.77 1otx h GLU 165 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1otx h GLU 165 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1otx h GLU 165 CO 0.00 0.00 -0.22 1.98 -0.73 0.00 0.00 179.01 180.04 1otx h MET 166 N 0.00 0.00 0.00 1.92 4.05 -1.97 -2.28 114.93 116.65 1otx h MET 166 Ca 0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1otx h MET 166 Cb 0.78 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 1otx h MET 166 CO 0.00 0.22 -0.38 0.74 0.23 0.00 0.00 176.91 177.72 1otx h PHE 167 N 0.00 0.00 -0.07 1.39 0.05 -1.79 -1.05 116.94 115.47 1otx h PHE 167 Ca -0.00 0.00 -0.22 0.00 3.82 0.00 0.00 57.97 61.57 1otx h PHE 167 Cb 0.48 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.43 1otx h PHE 167 CO 0.00 0.38 -0.85 -0.44 -0.18 0.00 0.00 178.31 177.22 1otx h ASP 168 N 0.00 0.71 -0.46 2.17 3.45 -1.63 -1.69 116.42 118.98 1otx h ASP 168 Ca -0.00 -0.51 -0.05 0.00 0.43 0.00 0.00 57.03 56.89 1otx h ASP 168 Cb 0.68 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.21 1otx h ASP 168 CO 0.05 1.29 0.07 0.58 -1.57 0.00 0.00 179.24 179.66 1otx h VAL 169 N 0.37 1.25 -0.63 -1.35 2.07 -1.32 -0.28 116.25 116.36 1otx h VAL 169 Ca -0.07 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1otx h VAL 169 Cb 1.47 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1otx h VAL 169 CO 0.16 0.32 0.37 0.24 0.02 0.00 0.00 177.57 178.68 1otx h MET 170 N 0.62 0.87 -0.70 1.57 2.86 -1.16 -1.49 114.93 117.50 1otx h MET 170 Ca 0.14 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1otx h MET 170 Cb 0.39 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1otx h MET 170 CO 0.01 0.63 0.28 1.49 1.06 0.00 0.00 176.91 180.38 1otx h GLU 171 N 0.86 1.05 -0.04 1.72 4.81 -1.03 -0.98 114.58 120.97 1otx h GLU 171 Ca 0.23 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1otx h GLU 171 Cb -0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1otx h GLU 171 CO -0.04 0.86 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.69 1otx h LYS 172 N 1.00 0.06 -0.71 1.92 3.64 -0.41 -2.86 116.57 119.21 1otx h LYS 172 Ca 0.23 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.34 1otx h LYS 172 Cb 0.21 -0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 31.87 1otx h LYS 172 CO -0.02 0.25 0.29 0.66 -2.27 0.00 0.00 179.45 178.36 1otx n TYR 173 N -4.28 2.31 -1.16 1.91 4.01 -0.62 -4.95 117.16 114.37 1otx n TYR 173 Ca -0.02 -1.36 -0.06 0.00 -0.16 0.00 0.00 57.90 56.30 1otx n TYR 173 Cb 0.27 -0.69 -0.02 0.00 -0.31 0.00 0.00 39.34 38.59 1otx n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1otx n GLY 174 N -0.50 0.71 3.66 2.72 0.00 -1.08 -4.96 105.19 105.74 1otx n GLY 174 Ca 0.42 -0.18 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 1otx n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1otx n ILE 175 N -2.48 0.16 0.10 -0.61 -0.00 -0.40 -4.62 119.36 111.52 1otx n ILE 175 Ca -0.06 -0.03 -0.17 0.00 -0.00 0.00 0.00 62.75 62.50 1otx n ILE 175 Cb 0.36 -1.48 -0.14 0.00 -0.00 0.00 0.00 39.64 38.38 1otx n ILE 175 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1otx h LEU 176 N 6.59 0.46 -7.12 1.39 3.38 -1.45 -3.41 115.31 115.15 1otx h LEU 176 Ca -0.46 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 56.95 1otx h LEU 176 Cb 1.28 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.72 1otx h LEU 176 CO 0.89 1.40 0.10 -0.83 0.09 0.00 0.00 178.44 180.09 1otx s GLY 177 N -4.69 -0.49 -0.23 0.83 0.00 -1.25 -4.40 107.32 97.09 1otx s GLY 177 Ca -0.05 0.72 -0.05 0.00 0.00 0.00 0.00 44.72 45.34 1otx s GLY 177 CO 0.89 0.40 0.00 0.14 0.00 0.00 0.00 173.10 174.53 1otx s VAL 178 N -2.45 3.73 0.00 1.40 1.01 0.28 -1.10 120.40 123.26 1otx s VAL 178 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1otx s VAL 178 Cb -0.01 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1otx s VAL 178 CO -0.02 0.38 0.00 -1.84 0.00 0.00 0.00 175.10 173.63 1otx n GLU 179 N 4.85 0.75 -0.53 2.72 -0.00 0.13 -1.34 120.64 127.23 1otx n GLU 179 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1otx n GLU 179 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 31.95 1otx n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1otx n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -1.04 117.12 121.07 1otx n MET 180 Ca 0.00 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1otx n MET 180 Cb 0.00 -0.37 0.00 0.00 -0.71 0.00 0.00 33.22 32.14 1otx n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1otx n GLU 181 N 0.01 0.00 -0.11 0.03 4.71 -1.26 -2.36 120.64 121.67 1otx n GLU 181 Ca -0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1otx n GLU 181 Cb 0.67 -0.37 -0.03 0.00 -1.01 0.00 0.00 31.44 30.70 1otx n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1otx n ALA 182 N -2.28 -0.16 -0.33 0.62 0.00 -1.26 0.99 120.51 118.09 1otx n ALA 182 Ca 0.00 0.21 0.09 0.00 0.00 0.00 0.00 53.44 53.74 1otx n ALA 182 Cb 0.15 0.01 0.29 0.00 0.00 0.00 0.00 19.45 19.90 1otx n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otx h ALA 183 N 0.04 1.63 0.24 0.00 0.00 -1.84 0.26 119.26 119.59 1otx h ALA 183 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1otx h ALA 183 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1otx h ALA 183 CO -0.24 0.11 -0.12 0.78 0.00 0.00 0.00 179.25 179.79 1otx h GLY 184 N 0.88 -0.34 0.85 0.00 0.00 0.28 -2.32 103.07 102.42 1otx h GLY 184 Ca 0.48 0.13 0.06 0.00 0.00 0.00 0.00 47.33 48.00 1otx h GLY 184 CO -0.25 -0.12 0.61 -2.22 0.00 0.00 0.00 176.54 174.56 1otx h ILE 185 N -0.72 1.10 0.00 2.60 2.04 -0.85 -0.36 117.51 121.32 1otx h ILE 185 Ca -0.03 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1otx h ILE 185 Cb 0.49 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1otx h ILE 185 CO 0.05 0.20 -0.35 1.88 0.00 0.00 0.00 178.15 179.94 1otx h TYR 186 N 1.12 0.00 -0.09 1.37 0.99 -0.99 -1.66 116.97 117.71 1otx h TYR 186 Ca 0.40 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.10 1otx h TYR 186 Cb 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.86 1otx h TYR 186 CO -0.00 0.35 -0.07 0.78 -0.00 0.00 0.00 178.16 179.22 1otx h GLY 187 N 1.08 0.22 1.01 3.88 0.00 -0.51 -2.65 103.07 106.10 1otx h GLY 187 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1otx h GLY 187 CO 0.05 0.19 0.31 -2.08 0.00 0.00 0.00 176.54 175.01 1otx h VAL 188 N -0.19 1.23 -0.63 4.60 2.07 -1.15 -1.51 116.25 120.68 1otx h VAL 188 Ca 0.02 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1otx h VAL 188 Cb 0.55 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1otx h VAL 188 CO 0.02 0.28 0.36 0.00 0.02 0.00 0.00 177.57 178.25 1otx h ALA 189 N 1.14 0.83 -0.24 1.67 0.00 -1.30 -0.54 119.26 120.83 1otx h ALA 189 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1otx h ALA 189 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1otx h ALA 189 CO -0.03 0.06 -0.32 0.00 0.00 0.00 0.00 179.25 178.97 1otx h ALA 190 N 1.31 1.01 -0.32 0.00 0.00 -1.17 0.20 119.26 120.30 1otx h ALA 190 Ca 0.27 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1otx h ALA 190 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1otx h ALA 190 CO -0.15 0.59 -0.30 1.49 0.00 0.00 0.00 179.25 180.88 1otx h GLU 191 N 0.42 0.67 -0.23 0.00 4.81 -0.55 -3.24 114.58 116.46 1otx h GLU 191 Ca 0.05 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1otx h GLU 191 Cb 0.77 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1otx h GLU 191 CO 0.06 0.89 -0.01 1.19 -0.73 0.00 0.00 179.01 180.41 1otx n PHE 192 N -4.08 0.80 -2.90 0.92 3.01 -0.28 -5.00 117.46 109.93 1otx n PHE 192 Ca -0.01 -0.99 -0.22 0.00 1.01 0.00 0.00 57.45 57.24 1otx n PHE 192 Cb 0.47 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 39.65 1otx n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1otx n GLY 193 N -0.75 -0.52 1.07 1.37 0.00 -0.09 -4.95 105.19 101.33 1otx n GLY 193 Ca 0.22 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 1otx n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1otx n ALA 194 N -3.21 0.23 -2.58 4.61 0.00 0.51 -5.01 120.51 115.07 1otx n ALA 194 Ca -0.14 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.37 1otx n ALA 194 Cb 0.63 0.26 -0.16 0.00 0.00 0.00 0.00 19.45 20.18 1otx n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1otx s LYS 195 N -2.63 2.34 0.08 0.00 1.02 0.36 -4.51 119.74 116.40 1otx s LYS 195 Ca 0.08 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.20 1otx s LYS 195 Cb -0.01 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1otx s LYS 195 CO 0.05 0.44 -0.09 0.00 -0.92 0.00 0.00 175.35 174.84 1otx s ALA 196 N -0.33 0.92 -0.02 5.17 0.00 -1.26 -1.30 121.76 124.93 1otx s ALA 196 Ca 0.02 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1otx s ALA 196 Cb -0.12 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1otx s ALA 196 CO 0.02 -0.05 0.29 -1.17 0.00 0.00 0.00 175.76 174.85 1otx s LEU 197 N -2.22 0.91 -0.08 0.00 2.96 -0.49 -1.41 118.68 118.36 1otx s LEU 197 Ca 0.01 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1otx s LEU 197 Cb -0.04 1.19 0.01 0.00 0.50 0.00 0.00 46.19 47.86 1otx s LEU 197 CO -0.01 -0.41 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.61 1otx s THR 198 N -1.18 1.19 -0.08 3.68 2.01 -1.26 -0.84 115.64 119.16 1otx s THR 198 Ca -0.12 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.43 1otx s THR 198 Cb -0.05 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1otx s THR 198 CO 0.04 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.50 1otx s ILE 199 N 0.82 1.77 0.03 1.82 1.01 0.34 -1.49 121.20 125.50 1otx s ILE 199 Ca -0.11 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1otx s ILE 199 Cb -0.15 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1otx s ILE 199 CO 0.02 0.50 -0.09 0.00 0.00 0.00 0.00 174.94 175.37 1otx s THR 201 N -0.97 4.34 -0.09 0.00 -4.23 -0.42 -0.17 115.64 114.10 1otx s THR 201 Ca -0.04 -0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 59.93 1otx s THR 201 Cb -0.08 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1otx s THR 201 CO 0.01 0.60 1.45 -0.69 -0.54 0.00 0.00 174.62 175.44 1otx s VAL 202 N -0.83 3.89 0.00 2.29 1.01 -0.31 -1.90 120.40 124.56 1otx s VAL 202 Ca 0.13 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1otx s VAL 202 Cb -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1otx s VAL 202 CO 0.02 -0.08 0.00 -1.54 0.00 0.00 0.00 175.10 173.50 1otx n SER 203 N 6.60 0.00 -5.00 3.32 3.41 0.47 -0.81 113.62 121.61 1otx n SER 203 Ca 0.15 0.08 -0.22 0.00 -0.26 0.00 0.00 58.87 58.62 1otx n SER 203 Cb 0.44 -0.16 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1otx n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1otx s ASP 204 N -1.78 4.91 -0.05 4.04 -4.77 -1.24 -4.71 116.67 113.07 1otx s ASP 204 Ca 0.00 -1.02 -0.00 0.00 -3.30 0.00 0.00 52.55 48.23 1otx s ASP 204 Cb 0.00 0.45 0.03 0.00 -1.09 0.00 0.00 42.92 42.31 1otx s ASP 204 CO 0.00 -1.34 0.00 -2.28 0.70 0.00 0.00 175.17 172.26 1otx s HIS 205 N -2.73 0.48 -0.68 2.11 2.46 -1.26 -2.32 115.29 113.35 1otx s HIS 205 Ca 0.53 -0.06 0.07 0.00 0.47 0.00 0.00 55.06 56.07 1otx s HIS 205 Cb -0.04 -0.60 0.40 0.00 -0.13 0.00 0.00 32.58 32.20 1otx s HIS 205 CO 0.34 -0.22 1.21 -0.89 -2.47 0.00 0.00 174.74 172.71 1otx n ILE 206 N 4.63 1.59 0.00 0.89 -0.00 -0.86 -4.30 119.36 121.31 1otx n ILE 206 Ca -0.16 0.59 0.00 0.00 -0.00 0.00 0.00 62.75 63.17 1otx n ILE 206 Cb 0.50 -1.59 0.00 0.00 -0.00 0.00 0.00 39.64 38.56 1otx n ILE 206 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1otx n ARG 207 N -1.75 0.00 -2.45 0.38 3.00 -1.26 -4.91 116.66 109.66 1otx n ARG 207 Ca -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 1otx n ARG 207 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.47 1otx n ARG 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1otx s THR 208 N 0.56 4.24 -0.77 5.15 2.01 -1.26 -4.93 115.64 120.64 1otx s THR 208 Ca 0.00 1.44 -0.25 0.00 0.31 0.00 0.00 61.69 63.19 1otx s THR 208 Cb 0.00 -4.14 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 1otx s THR 208 CO 0.00 -0.36 2.12 -2.28 -0.69 0.00 0.00 174.62 173.40 1otx s HIS 209 N 4.00 1.51 0.00 4.92 2.46 -1.26 -4.73 115.29 122.19 1otx s HIS 209 Ca 0.54 1.15 0.00 0.00 0.47 0.00 0.00 55.06 57.22 1otx s HIS 209 Cb -0.18 -3.83 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 1otx s HIS 209 CO 0.19 -1.88 0.00 -1.91 -2.47 0.00 0.00 174.74 168.67 1otx n GLU 210 N 8.92 1.12 -3.74 2.88 2.13 -1.26 -5.10 120.64 125.59 1otx n GLU 210 Ca 0.38 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.07 1otx n GLU 210 Cb 0.48 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.09 1otx n GLU 210 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1otx s GLN 211 N 0.00 0.48 -0.05 5.31 -1.52 -1.26 -5.07 119.66 117.55 1otx s GLN 211 Ca 0.00 0.44 0.01 0.00 -1.95 0.00 0.00 55.36 53.86 1otx s GLN 211 Cb 0.00 0.23 0.02 0.00 -0.22 0.00 0.00 33.01 33.04 1otx s GLN 211 CO 0.00 -0.07 -0.05 0.95 -0.25 0.00 0.00 175.29 175.87 1otx s THR 212 N 0.00 0.62 0.64 -0.19 -4.23 -1.26 -5.14 115.64 106.08 1otx s THR 212 Ca -0.02 -0.15 -0.18 0.00 -1.18 0.00 0.00 61.69 60.16 1otx s THR 212 Cb -0.03 -0.64 -0.01 0.00 1.34 0.00 0.00 72.50 73.16 1otx s THR 212 CO 0.01 0.25 1.22 0.42 -0.54 0.00 0.00 174.62 175.99 1otx s THR 213 N 1.01 2.44 0.49 3.99 -4.23 -1.26 -4.79 115.64 113.30 1otx s THR 213 Ca -0.09 0.26 0.19 0.00 -1.18 0.00 0.00 61.69 60.87 1otx s THR 213 Cb -0.14 -3.03 0.34 0.00 1.34 0.00 0.00 72.50 71.01 1otx s THR 213 CO -0.00 -0.07 2.03 0.00 -0.54 0.00 0.00 174.62 176.03 1otx h ALA 214 N 0.53 2.20 -0.49 3.99 0.00 -2.00 0.36 119.26 123.85 1otx h ALA 214 Ca -0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1otx h ALA 214 Cb 1.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1otx h ALA 214 CO 0.53 -0.31 0.02 0.00 0.00 0.00 0.00 179.25 179.49 1otx h ALA 215 N 1.79 0.65 -0.38 0.00 0.00 -1.99 -1.66 119.26 117.66 1otx h ALA 215 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1otx h ALA 215 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1otx h ALA 215 CO -0.03 0.44 0.01 0.93 0.00 0.00 0.00 179.25 180.60 1otx h GLU 216 N 0.71 0.67 -0.44 0.00 5.08 -1.32 -1.46 114.58 117.81 1otx h GLU 216 Ca 0.14 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1otx h GLU 216 Cb 0.49 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1otx h GLU 216 CO 0.02 0.76 0.18 0.00 -1.00 0.00 0.00 179.01 178.97 1otx h ARG 217 N 0.49 0.62 -0.23 2.33 2.47 -1.19 -0.95 114.38 117.94 1otx h ARG 217 Ca 0.11 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1otx h ARG 217 Cb 0.45 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1otx h ARG 217 CO 0.02 0.51 0.01 0.37 0.56 0.00 0.00 179.97 181.44 1otx h GLN 218 N 0.62 0.39 -0.17 0.04 5.75 -1.00 -1.44 115.11 119.30 1otx h GLN 218 Ca 0.15 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1otx h GLN 218 Cb 0.12 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1otx h GLN 218 CO -0.02 0.57 0.11 1.15 -2.65 0.00 0.00 178.83 177.99 1otx h THR 219 N 0.17 1.04 -0.55 2.39 2.02 -0.80 -2.08 112.91 115.09 1otx h THR 219 Ca 0.07 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1otx h THR 219 Cb 0.38 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1otx h THR 219 CO 0.01 0.04 0.18 0.74 0.37 0.00 0.00 175.52 176.86 1otx h THR 220 N 0.23 1.21 -0.56 3.16 2.02 -1.14 -1.34 112.91 116.48 1otx h THR 220 Ca 0.06 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.41 1otx h THR 220 Cb -0.03 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1otx h THR 220 CO -0.01 0.27 -0.08 0.15 0.37 0.00 0.00 175.52 176.22 1otx h PHE 221 N 0.80 1.17 -0.11 3.16 3.04 -1.02 -1.89 116.94 122.08 1otx h PHE 221 Ca 0.18 -0.23 -0.10 0.00 3.98 0.00 0.00 57.97 61.80 1otx h PHE 221 Cb 0.22 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 1otx h PHE 221 CO 0.01 1.06 -0.39 -0.91 -2.02 0.00 0.00 178.31 176.07 1otx h ASN 222 N 0.93 0.25 -0.47 0.41 2.35 -1.03 -2.15 115.58 115.88 1otx h ASN 222 Ca 0.15 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1otx h ASN 222 Cb 0.65 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1otx h ASN 222 CO 0.05 0.63 0.13 0.44 -1.65 0.00 0.00 177.43 177.02 1otx h ASP 223 N 0.21 0.69 -0.57 5.81 3.45 -0.93 -1.27 116.42 123.82 1otx h ASP 223 Ca 0.02 -0.22 -0.05 0.00 0.43 0.00 0.00 57.03 57.21 1otx h ASP 223 Cb 0.79 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 1otx h ASP 223 CO 0.06 0.73 0.14 -0.03 -1.57 0.00 0.00 179.24 178.58 1otx h MET 224 N 0.62 0.91 -0.19 3.56 4.05 -1.11 -0.93 114.93 121.84 1otx h MET 224 Ca 0.15 -0.22 -0.09 0.00 -0.28 0.00 0.00 59.70 59.26 1otx h MET 224 Cb 0.30 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1otx h MET 224 CO -0.00 0.84 -0.28 0.82 0.23 0.00 0.00 176.91 178.52 1otx h ILE 225 N 0.81 1.26 -0.38 1.77 5.03 -1.26 -1.48 117.51 123.26 1otx h ILE 225 Ca 0.18 -1.25 -0.08 0.00 -0.12 0.00 0.00 64.86 63.59 1otx h ILE 225 Cb 0.34 1.43 -0.01 0.00 -3.03 0.00 0.00 36.82 35.54 1otx h ILE 225 CO 0.00 0.39 -0.06 0.11 -0.68 0.00 0.00 178.15 177.91 1otx h LYS 226 N 0.32 0.71 -0.06 2.37 1.57 -0.85 -0.19 116.57 120.43 1otx h LYS 226 Ca 0.05 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1otx h LYS 226 Cb 0.66 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1otx h LYS 226 CO 0.05 0.84 -0.11 0.82 -0.57 0.00 0.00 179.45 180.48 1otx h ILE 227 N 0.52 0.71 -0.04 1.86 1.08 -0.81 0.25 117.51 121.08 1otx h ILE 227 Ca 0.10 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.59 1otx h ILE 227 Cb 0.56 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1otx h ILE 227 CO 0.03 0.00 -0.08 0.00 -0.69 0.00 0.00 178.15 177.41 1otx h ALA 228 N 0.87 -0.06 -0.63 1.87 0.00 -1.13 0.52 119.26 120.70 1otx h ALA 228 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1otx h ALA 228 Cb 0.24 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1otx h ALA 228 CO -0.15 -0.56 0.27 -0.07 0.00 0.00 0.00 179.25 178.73 1otx h LEU 229 N -0.13 0.85 -0.69 0.00 3.38 -0.73 -2.12 115.31 115.87 1otx h LEU 229 Ca 0.05 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1otx h LEU 229 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1otx h LEU 229 CO -0.11 0.78 -0.59 -0.33 0.09 0.00 0.00 178.44 178.27 1otx h GLU 230 N 0.87 0.19 -0.40 1.13 4.39 -0.24 -2.89 114.58 117.64 1otx h GLU 230 Ca 0.21 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1otx h GLU 230 Cb 0.18 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1otx h GLU 230 CO -0.02 0.73 -0.03 0.66 -1.16 0.00 0.00 179.01 179.19 1otx h SER 231 N 0.14 0.62 -0.25 1.42 4.64 0.40 -1.20 113.55 119.33 1otx h SER 231 Ca -0.01 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1otx h SER 231 Cb 1.09 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1otx h SER 231 CO 0.09 0.71 0.12 0.58 -0.87 0.00 0.00 176.83 177.46 1otx h VAL 232 N 0.61 1.15 -0.01 0.95 2.07 -1.20 0.92 116.25 120.74 1otx h VAL 232 Ca 0.12 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1otx h VAL 232 Cb 0.43 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1otx h VAL 232 CO 0.02 0.15 -0.10 -0.07 0.02 0.00 0.00 177.57 177.59 1otx h LEU 233 N 0.27 0.02 -0.25 2.57 3.38 -1.27 -1.09 115.31 118.93 1otx h LEU 233 Ca 0.09 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1otx h LEU 233 Cb 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1otx h LEU 233 CO -0.01 0.12 -0.67 -0.07 0.09 0.00 0.00 178.44 177.90 1otx h LEU 234 N 0.02 0.91 -1.86 1.67 3.38 -0.52 -3.01 115.31 115.90 1otx h LEU 234 Ca 0.00 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1otx h LEU 234 Cb 0.18 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1otx h LEU 234 CO 0.01 1.34 -0.13 1.23 0.09 0.00 0.00 178.44 180.98 1otx h GLY 235 N 0.69 0.00 2.00 0.83 0.00 0.35 -1.60 103.07 105.35 1otx h GLY 235 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1otx h GLY 235 CO 0.14 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.13 1otx h ASP 236 N 0.00 0.00 -0.03 0.19 3.45 -1.16 -3.51 116.42 115.36 1otx h ASP 236 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1otx h ASP 236 Cb 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1otx h ASP 236 CO 0.02 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.98