#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 1.15 0.31 0.00 -4.23 -0.49 -4.99 115.64 107.40 1otx s THR 2 Ca 0.00 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.53 1otx s THR 2 Cb 0.00 -2.51 0.36 0.00 1.34 0.00 0.00 72.50 71.68 1otx s THR 2 CO 0.00 -0.21 1.61 -0.65 -0.54 0.00 0.00 174.62 174.83 1otx h PRO 3 N 2.33 0.10 -0.21 3.99 0.11 -2.02 -2.04 132.00 134.26 1otx h PRO 3 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1otx h PRO 3 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1otx h PRO 3 CO 0.66 0.07 0.00 0.72 -0.21 0.00 0.00 178.00 179.24 1otx n HIS 4 N -5.32 0.27 -3.72 0.65 8.25 -1.26 -4.92 115.22 109.18 1otx n HIS 4 Ca 0.26 -0.22 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1otx n HIS 4 Cb 0.84 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.77 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 -1.11 0.29 -1.21 1.59 1.01 -0.77 -4.69 121.20 116.31 1otx s ILE 5 Ca 0.23 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 1otx s ILE 5 Cb 0.14 -0.69 0.20 0.00 0.01 0.00 0.00 42.46 42.12 1otx s ILE 5 CO 0.19 -0.03 1.56 -3.20 0.00 0.00 0.00 174.94 173.46 1otx n ASN 6 N 5.15 5.38 -3.33 3.58 5.15 -1.26 -1.39 115.26 128.54 1otx n ASN 6 Ca -0.07 -3.10 -0.15 0.00 -0.60 0.00 0.00 54.58 50.66 1otx n ASN 6 Cb 0.49 -1.47 -0.05 0.00 -0.53 0.00 0.00 39.78 38.22 1otx n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1otx s ALA 7 N 0.15 0.90 0.08 5.20 0.00 -1.26 -4.59 121.76 122.25 1otx s ALA 7 Ca 0.38 -1.58 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1otx s ALA 7 Cb 0.02 1.21 -0.03 0.00 0.00 0.00 0.00 23.12 24.32 1otx s ALA 7 CO 0.01 -0.77 -0.17 -1.21 0.00 0.00 0.00 175.76 173.62 1otx s GLU 8 N -3.19 0.98 -0.39 0.00 0.41 -1.26 -2.02 118.70 113.22 1otx s GLU 8 Ca 0.32 -1.04 -0.44 0.00 -0.41 0.00 0.00 54.97 53.41 1otx s GLU 8 Cb 0.00 -1.10 -0.18 0.00 -1.78 0.00 0.00 34.13 31.07 1otx s GLU 8 CO 0.21 0.25 1.67 -0.12 -0.49 0.00 0.00 175.26 176.78 1otx n MET 9 N 1.24 0.58 0.00 1.61 0.00 -1.26 -0.85 117.12 118.44 1otx n MET 9 Ca -0.20 0.21 0.00 0.00 -0.00 0.00 0.00 57.70 57.71 1otx n MET 9 Cb 0.54 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.95 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 4.10 1.85 0.33 -5.12 0.00 -1.26 -4.96 105.19 100.12 1otx n GLY 10 Ca 0.29 -0.57 0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 2.00 0.00 -2.08 1.61 3.32 -1.38 -3.42 116.42 116.47 1otx h ASP 11 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1otx h ASP 11 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1otx h ASP 11 CO 0.00 0.00 -0.50 -0.36 -1.72 0.00 0.00 179.24 176.66 1otx s PHE 12 N -4.69 3.03 0.80 4.55 0.40 -1.26 -4.67 117.98 116.13 1otx s PHE 12 Ca -0.05 -0.18 -0.10 0.00 -0.60 0.00 0.00 56.93 56.01 1otx s PHE 12 Cb 0.16 -1.52 0.11 0.00 0.51 0.00 0.00 43.02 42.27 1otx s PHE 12 CO 0.57 0.41 1.13 0.00 0.70 0.00 0.00 175.22 178.04 1otx s ALA 13 N -2.20 2.87 -2.07 5.36 0.00 -1.26 -4.93 121.76 119.52 1otx s ALA 13 Ca 0.35 -1.05 0.30 0.00 0.00 0.00 0.00 51.96 51.56 1otx s ALA 13 Cb -0.07 -2.65 1.70 0.00 0.00 0.00 0.00 23.12 22.10 1otx s ALA 13 CO 0.25 -1.72 2.10 -0.40 0.00 0.00 0.00 175.76 176.00 1otx n ASP 14 N -3.23 0.23 -3.92 0.00 3.85 -1.26 -4.61 116.55 107.62 1otx n ASP 14 Ca 0.11 -1.12 -0.26 0.00 -0.71 0.00 0.00 54.79 52.81 1otx n ASP 14 Cb 0.60 -0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.20 1otx n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1otx s VAL 15 N -2.00 1.01 -0.14 2.12 1.01 -1.26 0.04 120.40 121.19 1otx s VAL 15 Ca 0.45 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1otx s VAL 15 Cb 0.21 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.59 1otx s VAL 15 CO 0.35 0.36 -0.20 -0.69 0.00 0.00 0.00 175.10 174.91 1otx s VAL 16 N 1.51 1.95 0.00 2.92 1.01 0.29 -2.52 120.40 125.56 1otx s VAL 16 Ca 0.01 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 1otx s VAL 16 Cb -0.13 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1otx s VAL 16 CO -0.06 0.53 0.61 -0.76 0.00 0.00 0.00 175.10 175.42 1otx s LEU 17 N 0.92 4.42 -0.23 3.92 1.02 0.04 -0.80 118.68 127.97 1otx s LEU 17 Ca -0.05 1.19 -0.01 0.00 0.02 0.00 0.00 54.13 55.27 1otx s LEU 17 Cb -0.15 -2.95 0.07 0.00 0.02 0.00 0.00 46.19 43.18 1otx s LEU 17 CO -0.03 0.10 0.03 -0.04 0.02 0.00 0.00 176.35 176.43 1otx s MET 18 N -0.23 0.90 0.67 1.70 -1.94 0.11 -0.77 119.30 119.74 1otx s MET 18 Ca 0.31 -0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 53.54 1otx s MET 18 Cb -0.18 -2.20 0.06 0.00 2.01 0.00 0.00 34.83 34.51 1otx s MET 18 CO 0.18 -0.71 0.95 -1.25 -0.01 0.00 0.00 175.02 174.17 1otx s PRO 19 N 1.69 2.22 0.11 2.03 0.04 -1.22 -1.82 135.00 138.06 1otx s PRO 19 Ca 0.00 -0.48 -0.05 0.00 0.04 0.00 0.00 61.00 60.52 1otx s PRO 19 Cb -0.18 -2.27 -0.15 0.00 0.04 0.00 0.00 34.50 31.95 1otx s PRO 19 CO -0.12 -1.13 1.26 0.78 0.04 0.00 0.00 177.00 177.83 1otx h GLY 20 N -0.42 0.44 -6.72 0.56 0.00 -1.84 -2.05 103.07 93.03 1otx h GLY 20 Ca -0.43 -0.84 -0.62 0.00 0.00 0.00 0.00 47.33 45.44 1otx h GLY 20 CO 0.56 0.74 0.04 -0.35 0.00 0.00 0.00 176.54 177.53 1otx s ASP 21 N -7.12 6.47 0.37 0.19 2.15 -1.26 -2.00 116.67 115.47 1otx s ASP 21 Ca -0.06 0.54 0.08 0.00 0.43 0.00 0.00 52.55 53.55 1otx s ASP 21 Cb 0.08 -2.30 0.80 0.00 -0.30 0.00 0.00 42.92 41.21 1otx s ASP 21 CO 0.87 -0.33 1.92 1.55 -0.17 0.00 0.00 175.17 179.02 1otx h PRO 22 N 8.01 0.67 0.00 4.34 0.13 -1.88 0.49 132.00 143.77 1otx h PRO 22 Ca -0.28 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 1otx h PRO 22 Cb 1.13 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1otx h PRO 22 CO 0.74 0.45 -0.25 -0.07 -0.23 0.00 0.00 178.00 178.63 1otx h LEU 23 N 0.69 0.00 -0.52 1.56 3.38 -1.93 -0.01 115.31 118.49 1otx h LEU 23 Ca 0.36 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.20 1otx h LEU 23 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1otx h LEU 23 CO -0.14 0.25 -0.65 -0.09 0.09 0.00 0.00 178.44 177.90 1otx h ARG 24 N 0.00 0.00 0.21 1.13 9.65 -0.50 -2.28 114.38 122.59 1otx h ARG 24 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1otx h ARG 24 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1otx h ARG 24 CO 0.03 0.65 -0.10 0.00 2.80 0.00 0.00 179.97 183.35 1otx h ALA 25 N 1.35 -0.28 -0.75 2.80 0.00 0.61 -0.43 119.26 122.55 1otx h ALA 25 Ca -0.01 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1otx h ALA 25 Cb 1.26 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1otx h ALA 25 CO 0.08 -0.60 0.41 -0.22 0.00 0.00 0.00 179.25 178.92 1otx h LYS 26 N -0.40 0.68 -0.59 0.00 3.64 -1.31 -0.85 116.57 117.74 1otx h LYS 26 Ca -0.03 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1otx h LYS 26 Cb 0.30 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1otx h LYS 26 CO 0.05 0.45 0.35 -0.92 -2.27 0.00 0.00 179.45 177.11 1otx h TYR 27 N 0.70 0.66 0.40 1.91 5.03 -1.07 -0.82 116.97 123.79 1otx h TYR 27 Ca 0.36 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.68 1otx h TYR 27 Cb 0.33 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.40 1otx h TYR 27 CO -0.08 0.37 -0.22 0.82 -1.32 0.00 0.00 178.16 177.73 1otx h ILE 28 N 0.70 0.54 -0.35 1.81 1.08 0.19 -1.18 117.51 120.29 1otx h ILE 28 Ca 0.24 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.78 1otx h ILE 28 Cb 0.04 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 1otx h ILE 28 CO -0.11 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.28 1otx h ALA 29 N -0.01 0.25 0.00 1.87 0.00 -0.87 0.12 119.26 120.62 1otx h ALA 29 Ca -0.05 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1otx h ALA 29 Cb 0.47 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1otx h ALA 29 CO 0.06 -0.45 -0.09 0.93 0.00 0.00 0.00 179.25 179.71 1otx h GLU 30 N 0.02 0.00 0.07 0.00 5.08 -1.13 -1.91 114.58 116.71 1otx h GLU 30 Ca 0.17 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.23 1otx h GLU 30 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1otx h GLU 30 CO -0.35 0.09 -1.60 1.15 -1.00 0.00 0.00 179.01 177.30 1otx h THR 31 N 0.00 0.80 0.00 1.13 2.02 -0.50 -3.43 112.91 112.93 1otx h THR 31 Ca -0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1otx h THR 31 Cb 0.77 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1otx h THR 31 CO 0.01 0.62 -1.26 0.49 0.37 0.00 0.00 175.52 175.76 1otx n PHE 32 N -3.95 0.00 -3.86 3.16 3.01 0.36 -5.02 117.46 111.15 1otx n PHE 32 Ca -0.31 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.82 1otx n PHE 32 Cb 0.87 -0.18 -0.05 0.00 -0.01 0.00 0.00 39.48 40.11 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 -3.45 4.36 -0.15 4.37 1.02 -0.72 -4.72 118.68 119.40 1otx s LEU 33 Ca -0.02 0.40 -0.06 0.00 0.02 0.00 0.00 54.13 54.47 1otx s LEU 33 Cb 0.07 -2.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.52 1otx s LEU 33 CO 0.43 0.23 0.05 -1.61 0.02 0.00 0.00 176.35 175.47 1otx s GLU 34 N -2.03 3.64 -1.16 1.70 2.02 -0.19 -4.55 118.70 118.13 1otx s GLU 34 Ca 0.29 -0.33 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 1otx s GLU 34 Cb -0.13 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 1otx s GLU 34 CO 0.20 0.46 0.88 -0.25 0.02 0.00 0.00 175.26 176.56 1otx n ASP 35 N 2.95 -3.83 -4.68 -0.19 8.00 -1.26 -2.35 116.55 115.19 1otx n ASP 35 Ca -0.18 -0.75 -0.41 0.00 0.71 0.00 0.00 54.79 54.16 1otx n ASP 35 Cb 0.53 -4.70 -0.04 0.00 -0.02 0.00 0.00 41.12 36.89 1otx n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1otx s ALA 36 N -3.45 3.46 0.01 2.24 0.00 -1.26 -4.52 121.76 118.24 1otx s ALA 36 Ca 0.22 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1otx s ALA 36 Cb -0.04 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1otx s ALA 36 CO 0.77 -0.56 0.00 -0.98 0.00 0.00 0.00 175.76 174.99 1otx s ARG 37 N 1.92 2.77 -0.27 0.00 1.70 0.10 -4.91 118.95 120.26 1otx s ARG 37 Ca 0.40 -0.63 -0.27 0.00 -0.47 0.00 0.00 55.73 54.76 1otx s ARG 37 Cb -0.17 -2.66 0.01 0.00 -0.57 0.00 0.00 34.95 31.56 1otx s ARG 37 CO 0.15 0.62 0.98 -2.00 -1.08 0.00 0.00 175.30 173.96 1otx s GLU 38 N -1.62 4.16 0.00 3.89 2.12 -1.26 -1.62 118.70 124.37 1otx s GLU 38 Ca 0.20 1.11 0.18 0.00 0.36 0.00 0.00 54.97 56.82 1otx s GLU 38 Cb -0.12 -3.68 0.19 0.00 0.26 0.00 0.00 34.13 30.79 1otx s GLU 38 CO 0.11 -0.69 1.12 1.33 -0.54 0.00 0.00 175.26 176.60 1otx n VAL 39 N 5.48 0.11 -3.64 3.70 0.24 0.28 -4.98 118.33 119.52 1otx n VAL 39 Ca 0.10 -0.56 -0.07 0.00 -2.04 0.00 0.00 64.34 61.77 1otx n VAL 39 Cb 0.47 1.28 -0.07 0.00 -1.47 0.00 0.00 33.84 34.05 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 -1.48 -0.39 0.00 -1.34 3.84 -1.21 -4.30 114.94 110.05 1otx s ASN 40 Ca 0.24 0.74 0.00 0.00 0.21 0.00 0.00 52.86 54.04 1otx s ASN 40 Cb 0.16 0.79 0.00 0.00 -0.55 0.00 0.00 41.25 41.65 1otx s ASN 40 CO 0.23 -0.13 0.34 -0.46 -2.79 0.00 0.00 177.10 174.30 1otx n ASN 41 N 2.28 0.00 -4.70 -4.21 6.94 -1.26 -1.04 115.26 113.26 1otx n ASN 41 Ca -0.13 -1.00 -0.44 0.00 -0.02 0.00 0.00 54.58 53.00 1otx n ASN 41 Cb 0.56 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 1otx n ASN 41 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1otx n VAL 42 N 0.00 0.64 -1.41 3.53 0.31 -1.26 -0.49 118.33 119.65 1otx n VAL 42 Ca 0.00 -0.16 -0.15 0.00 -0.01 0.00 0.00 64.34 64.02 1otx n VAL 42 Cb 0.43 -1.72 -0.06 0.00 -0.91 0.00 0.00 33.84 31.58 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 2.64 -1.54 -0.99 5.55 1.74 -1.26 -1.47 116.66 121.32 1otx n ARG 43 Ca 0.12 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.17 1otx n ARG 43 Cb 0.33 -5.31 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 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 -0.08 0.39 3.00 -0.13 0.00 0.35 -4.94 105.19 103.78 1otx n GLY 44 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1otx n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1otx n MET 45 N -1.93 3.24 -1.65 1.61 0.00 -0.54 -4.82 117.12 113.02 1otx n MET 45 Ca 0.00 -3.19 -0.57 0.00 0.00 0.00 0.00 57.70 53.95 1otx n MET 45 Cb 0.13 -3.16 -0.07 0.00 0.00 0.00 0.00 33.22 30.11 1otx n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1otx n LEU 46 N 5.60 1.77 -4.31 -0.89 4.77 -1.25 -4.45 117.00 118.24 1otx n LEU 46 Ca 0.45 1.11 -0.30 0.00 -0.03 0.00 0.00 56.01 57.25 1otx n LEU 46 Cb 0.40 -1.11 -0.15 0.00 -2.33 0.00 0.00 43.42 40.22 1otx n LEU 46 CO 0.82 -0.84 -0.56 -0.83 -1.33 0.00 0.00 177.39 174.64 1otx s GLY 47 N 1.99 1.28 0.02 -0.72 0.00 -0.21 -3.19 107.32 106.49 1otx s GLY 47 Ca 0.93 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 44.51 1otx s GLY 47 CO 0.59 -1.00 -0.04 -1.36 0.00 0.00 0.00 173.10 171.29 1otx s PHE 48 N -0.69 0.36 -0.03 1.90 0.08 0.59 -0.56 117.98 119.64 1otx s PHE 48 Ca 0.10 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1otx s PHE 48 Cb -0.10 -0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 1otx s PHE 48 CO 0.00 -0.14 -0.10 0.99 -0.10 0.00 0.00 175.22 175.88 1otx s THR 49 N -1.26 0.86 0.00 0.64 2.01 -0.64 0.11 115.64 117.36 1otx s THR 49 Ca -0.12 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1otx s THR 49 Cb -0.09 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1otx s THR 49 CO -0.00 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1otx n GLY 50 N 3.32 3.37 3.04 4.40 0.00 0.54 -0.72 105.19 119.14 1otx n GLY 50 Ca -0.19 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.78 0.69 -0.23 2.61 -4.23 -0.99 -0.91 115.64 110.80 1otx s THR 51 Ca 0.00 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1otx s THR 51 Cb 0.00 -0.63 0.05 0.00 1.34 0.00 0.00 72.50 73.26 1otx s THR 51 CO 0.00 0.01 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.51 1otx s TYR 52 N -0.58 2.91 -1.54 3.99 6.14 0.76 -1.02 117.35 128.02 1otx s TYR 52 Ca -0.00 -1.99 -0.09 0.00 0.64 0.00 0.00 57.07 55.62 1otx s TYR 52 Cb -0.05 -1.83 0.08 0.00 0.42 0.00 0.00 41.96 40.57 1otx s TYR 52 CO 0.00 -0.83 0.66 1.63 0.64 0.00 0.00 175.55 177.66 1otx n LYS 53 N 4.54 -3.66 0.00 4.97 5.02 -1.26 -0.77 118.16 127.00 1otx n LYS 53 Ca -0.15 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1otx n LYS 53 Cb 0.45 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 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 -1.70 2.70 3.77 0.72 0.00 -1.26 -5.02 105.19 104.40 1otx n GLY 54 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.24 4.24 -0.05 1.61 3.00 0.05 -5.00 118.95 122.55 1otx s ARG 55 Ca 0.00 0.61 -0.30 0.00 -1.00 0.00 0.00 55.73 55.04 1otx s ARG 55 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 34.95 31.57 1otx s ARG 55 CO 0.00 0.40 1.38 0.21 0.00 0.00 0.00 175.30 177.29 1otx s LYS 56 N -0.24 4.27 0.09 5.12 2.20 -1.26 -0.17 119.74 129.74 1otx s LYS 56 Ca 0.28 1.89 0.05 0.00 -0.36 0.00 0.00 55.97 57.83 1otx s LYS 56 Cb -0.17 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 1otx s LYS 56 CO 0.15 -0.63 -0.12 0.42 -0.36 0.00 0.00 175.35 174.81 1otx s ILE 57 N 2.85 1.05 0.11 5.43 -1.09 -0.09 -4.65 121.20 124.82 1otx s ILE 57 Ca 0.62 -1.49 0.06 0.00 -2.23 0.00 0.00 60.65 57.61 1otx s ILE 57 Cb -0.29 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 1otx s ILE 57 CO 0.24 -0.40 -0.15 -0.44 -1.23 0.00 0.00 174.94 172.96 1otx s SER 58 N -2.13 2.01 -0.02 3.58 0.01 -1.05 -0.34 113.70 115.76 1otx s SER 58 Ca 0.02 -0.76 -0.00 0.00 1.31 0.00 0.00 55.95 56.52 1otx s SER 58 Cb -0.06 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1otx s SER 58 CO 0.01 -0.11 0.04 0.54 0.41 0.00 0.00 173.24 174.14 1otx s VAL 59 N -1.88 -0.05 -0.16 3.43 0.11 0.12 -0.78 120.40 121.19 1otx s VAL 59 Ca 0.07 0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 59.14 1otx s VAL 59 Cb -0.06 -0.09 0.04 0.00 -1.53 0.00 0.00 36.38 34.74 1otx s VAL 59 CO 0.03 0.07 0.44 -0.32 -3.33 0.00 0.00 175.10 172.00 1otx s MET 60 N 0.92 0.53 0.61 1.54 0.00 0.05 -0.30 119.30 122.64 1otx s MET 60 Ca -0.08 0.59 -0.16 0.00 0.00 0.00 0.00 55.69 56.04 1otx s MET 60 Cb -0.11 0.26 -0.03 0.00 0.00 0.00 0.00 34.83 34.95 1otx s MET 60 CO -0.03 -0.07 1.10 0.20 0.00 0.00 0.00 175.02 176.22 1otx s GLY 61 N 0.18 2.27 0.00 2.11 0.00 -1.19 -3.38 107.32 107.31 1otx s GLY 61 Ca -0.00 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1otx s GLY 61 CO 0.01 0.91 0.88 -2.39 0.00 0.00 0.00 173.10 172.52 1otx n HIS 62 N -1.98 0.00 -3.48 1.90 1.44 -0.77 -4.90 115.22 107.43 1otx n HIS 62 Ca 0.10 -0.39 0.02 0.00 -2.01 0.00 0.00 57.72 55.44 1otx n HIS 62 Cb 0.52 -0.04 -0.01 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.39 -1.70 3.33 -1.39 0.00 -0.84 -2.10 105.19 102.09 1otx n GLY 63 Ca 0.00 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.41 3.52 0.00 1.61 1.01 -1.26 -4.59 120.40 120.28 1otx s VAL 64 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1otx s VAL 64 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1otx s VAL 64 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1otx n GLY 65 N 4.77 2.59 0.18 4.51 0.00 -1.24 -4.39 105.19 111.60 1otx n GLY 65 Ca -0.18 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 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 1.24 -0.76 -0.61 2.04 -1.79 -2.15 117.51 115.48 1otx h ILE 66 Ca 0.00 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.10 1otx h ILE 66 Cb 0.00 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1otx h ILE 66 CO 0.00 0.28 0.50 -0.65 0.00 0.00 0.00 178.15 178.28 1otx h PRO 67 N 0.35 0.63 0.15 2.37 0.11 -1.91 0.13 132.00 133.83 1otx h PRO 67 Ca 0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1otx h PRO 67 Cb 0.38 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1otx h PRO 67 CO 0.01 0.42 -0.07 1.03 -0.21 0.00 0.00 178.00 179.17 1otx h SER 68 N 0.65 -0.18 -0.12 -2.05 0.87 -1.73 -3.23 113.55 107.76 1otx h SER 68 Ca 0.35 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.95 1otx h SER 68 Cb 0.50 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1otx h SER 68 CO -0.13 0.08 0.15 0.00 -0.53 0.00 0.00 176.83 176.39 1otx h SER 70 N 0.00 0.53 0.28 0.00 0.02 -0.82 -1.36 113.55 112.20 1otx h SER 70 Ca 0.06 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1otx h SER 70 Cb 0.36 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1otx h SER 70 CO -0.00 0.57 -0.22 0.40 -1.14 0.00 0.00 176.83 176.44 1otx h ILE 71 N 0.45 0.53 0.06 3.27 2.04 -1.29 -2.33 117.51 120.23 1otx h ILE 71 Ca 0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1otx h ILE 71 Cb 0.22 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1otx h ILE 71 CO -0.01 0.00 -0.03 1.88 0.00 0.00 0.00 178.15 180.00 1otx h TYR 72 N -0.51 -0.07 -0.84 1.37 0.05 -1.48 -1.74 116.97 113.75 1otx h TYR 72 Ca -0.02 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.81 1otx h TYR 72 Cb 0.45 0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.16 1otx h TYR 72 CO -0.13 0.15 0.53 1.79 -1.05 0.00 0.00 178.16 179.45 1otx h THR 73 N -0.28 1.09 -0.01 -2.88 1.35 -1.32 -0.69 112.91 110.18 1otx h THR 73 Ca -0.01 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1otx h THR 73 Cb 0.25 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.67 1otx h THR 73 CO 0.01 0.18 0.01 0.50 -0.25 0.00 0.00 175.52 175.97 1otx h LYS 74 N 1.00 0.01 0.00 4.72 3.11 -1.33 -1.01 116.57 123.07 1otx h LYS 74 Ca 0.35 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.15 1otx h LYS 74 Cb 0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 1otx h LYS 74 CO -0.14 0.01 -0.18 0.93 -2.81 0.00 0.00 179.45 177.26 1otx h GLU 75 N 0.01 0.00 -0.15 1.90 5.08 -0.96 0.00 114.58 120.46 1otx h GLU 75 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1otx h GLU 75 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1otx h GLU 75 CO -0.00 0.18 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.93 1otx h LEU 76 N 0.00 0.41 0.00 1.33 3.38 -0.67 -1.49 115.31 118.28 1otx h LEU 76 Ca -0.00 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1otx h LEU 76 Cb 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1otx h LEU 76 CO 0.02 0.84 -0.00 0.40 0.09 0.00 0.00 178.44 179.79 1otx h ILE 77 N -0.00 1.33 0.00 1.22 2.04 -0.86 -1.82 117.51 119.42 1otx h ILE 77 Ca 0.02 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1otx h ILE 77 Cb 0.73 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1otx h ILE 77 CO 0.04 0.25 -0.15 0.35 0.00 0.00 0.00 178.15 178.65 1otx n THR 78 N -4.89 0.29 0.00 -0.27 -2.24 -0.04 -3.79 114.28 103.33 1otx n THR 78 Ca -0.08 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1otx n THR 78 Cb 0.22 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1otx n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1otx n ASP 79 N -1.89 2.28 -0.32 3.42 9.92 -0.57 -4.81 116.55 124.58 1otx n ASP 79 Ca 0.06 -0.04 0.08 0.00 -0.53 0.00 0.00 54.79 54.35 1otx n ASP 79 Cb 0.39 0.54 0.17 0.00 -0.64 0.00 0.00 41.12 41.59 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 -0.77 0.06 -0.88 1.24 3.01 -0.74 -4.52 117.46 114.87 1otx n PHE 80 Ca 0.00 -1.20 -0.04 0.00 1.01 0.00 0.00 57.45 57.22 1otx n PHE 80 Cb 0.00 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.25 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 -1.29 0.41 3.74 1.37 0.00 -1.15 -4.72 105.19 103.54 1otx n GLY 81 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.12 2.07 -0.04 1.61 1.01 -0.89 -4.79 120.40 118.24 1otx s VAL 82 Ca 0.00 0.05 0.16 0.00 0.00 0.00 0.00 61.98 62.19 1otx s VAL 82 Cb 0.00 -3.03 -0.25 0.00 0.00 0.00 0.00 36.38 33.10 1otx s VAL 82 CO 0.00 0.01 0.32 0.29 0.00 0.00 0.00 175.10 175.72 1otx n LYS 83 N 3.08 0.63 -3.85 2.72 5.02 0.11 -4.38 118.16 121.50 1otx n LYS 83 Ca 0.12 -0.13 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 1otx n LYS 83 Cb 0.36 -1.39 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 1otx n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1otx s LYS 84 N -3.04 0.02 -0.09 1.97 1.02 -0.55 -2.12 119.74 116.96 1otx s LYS 84 Ca -0.06 0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1otx s LYS 84 Cb 0.10 -0.02 0.02 0.00 -0.52 0.00 0.00 37.83 37.41 1otx s LYS 84 CO 0.68 -0.02 -0.07 0.42 -0.92 0.00 0.00 175.35 175.43 1otx s ILE 85 N 0.14 0.89 -0.28 2.17 1.01 -0.43 -0.54 121.20 124.16 1otx s ILE 85 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 1otx s ILE 85 Cb -0.02 -0.90 0.04 0.00 0.01 0.00 0.00 42.46 41.60 1otx s ILE 85 CO -0.00 0.33 -0.02 -0.63 0.00 0.00 0.00 174.94 174.61 1otx s ILE 86 N 1.37 2.93 0.03 2.92 1.01 0.02 -1.69 121.20 127.80 1otx s ILE 86 Ca -0.02 -1.29 -0.28 0.00 0.00 0.00 0.00 60.65 59.05 1otx s ILE 86 Cb -0.14 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1otx s ILE 86 CO -0.04 -0.02 0.90 -0.60 0.00 0.00 0.00 174.94 175.19 1otx s ARG 87 N 1.27 4.57 -0.42 2.79 3.52 0.75 0.05 118.95 131.48 1otx s ARG 87 Ca -0.04 1.30 0.02 0.00 -0.13 0.00 0.00 55.73 56.88 1otx s ARG 87 Cb -0.19 -3.42 0.12 0.00 -1.56 0.00 0.00 34.95 29.90 1otx s ARG 87 CO -0.02 0.09 0.19 0.14 -0.81 0.00 0.00 175.30 174.89 1otx s VAL 88 N 0.53 1.74 0.00 7.11 -7.23 -0.76 -0.41 120.40 121.39 1otx s VAL 88 Ca 0.47 -2.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1otx s VAL 88 Cb -0.21 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1otx s VAL 88 CO 0.26 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 1otx n GLY 89 N 3.77 5.82 3.59 2.32 0.00 -0.83 -4.24 105.19 115.62 1otx n GLY 89 Ca 0.05 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 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 1.00 3.68 0.18 1.61 1.04 -1.26 -2.50 113.70 117.45 1otx s SER 90 Ca 0.00 -1.36 -0.20 0.00 0.48 0.00 0.00 55.95 54.87 1otx s SER 90 Cb 0.00 -0.36 0.05 0.00 0.10 0.00 0.00 66.02 65.81 1otx s SER 90 CO 0.00 -0.45 0.57 0.00 0.98 0.00 0.00 173.24 174.34 1otx s GLY 92 N -2.81 1.99 0.25 0.00 0.00 -0.66 -1.19 107.32 104.90 1otx s GLY 92 Ca 0.05 -0.88 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1otx s GLY 92 CO -0.07 -0.75 0.44 0.00 0.00 0.00 0.00 173.10 172.72 1otx s ALA 93 N -1.17 3.79 0.00 3.20 0.00 0.96 0.21 121.76 128.74 1otx s ALA 93 Ca 0.22 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1otx s ALA 93 Cb -0.12 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1otx s ALA 93 CO 0.13 0.28 0.00 1.33 0.00 0.00 0.00 175.76 177.50 1otx n VAL 94 N -1.06 0.00 -3.02 0.00 0.24 -1.26 -1.14 118.33 112.09 1otx n VAL 94 Ca -0.05 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.85 1otx n VAL 94 Cb 0.55 0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 33.03 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 -1.82 4.36 0.18 1.34 1.43 -1.26 -4.78 118.68 118.13 1otx s LEU 95 Ca 0.00 1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 54.24 1otx s LEU 95 Cb 0.00 -3.14 0.16 0.00 0.03 0.00 0.00 46.19 43.25 1otx s LEU 95 CO 0.00 -0.08 1.72 -0.65 0.23 0.00 0.00 176.35 177.57 1otx h PRO 96 N 6.43 0.22 0.00 1.29 0.11 -1.98 -2.06 132.00 136.00 1otx h PRO 96 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1otx h PRO 96 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1otx h PRO 96 CO 0.74 0.15 0.00 -2.39 -0.21 0.00 0.00 178.00 176.28 1otx n HIS 97 N -5.11 0.37 -2.94 0.65 1.44 -1.26 -4.50 115.22 103.87 1otx n HIS 97 Ca 0.05 0.16 -0.42 0.00 -2.01 0.00 0.00 57.72 55.49 1otx n HIS 97 Cb 0.22 -0.75 -0.05 0.00 0.12 0.00 0.00 29.99 29.53 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 -3.18 4.75 0.43 0.61 1.01 -0.78 -5.04 120.40 118.21 1otx s VAL 98 Ca 0.04 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.11 1otx s VAL 98 Cb 0.08 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1otx s VAL 98 CO 0.26 -0.37 0.58 -0.54 0.00 0.00 0.00 175.10 175.03 1otx s LYS 99 N 3.06 2.79 0.80 2.72 -0.14 -1.26 -4.84 119.74 122.86 1otx s LYS 99 Ca 0.32 -1.28 -0.11 0.00 -1.36 0.00 0.00 55.97 53.54 1otx s LYS 99 Cb -0.13 -2.74 0.08 0.00 -1.68 0.00 0.00 37.83 33.35 1otx s LYS 99 CO 0.15 -0.30 1.13 -0.51 -0.76 0.00 0.00 175.35 175.06 1otx s LEU 100 N -4.36 3.06 0.00 3.17 2.01 -1.26 -2.76 118.68 118.53 1otx s LEU 100 Ca 0.55 2.03 0.00 0.00 0.01 0.00 0.00 54.13 56.72 1otx s LEU 100 Cb -0.09 -4.55 0.00 0.00 0.01 0.00 0.00 46.19 41.56 1otx s LEU 100 CO 0.33 -2.35 0.00 0.54 1.01 0.00 0.00 176.35 175.88 1otx n ARG 101 N -3.51 -0.90 -2.60 1.70 1.74 -0.82 -4.94 116.66 107.34 1otx n ARG 101 Ca 0.11 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 57.00 1otx n ARG 101 Cb 0.52 -4.15 -0.04 0.00 -1.02 0.00 0.00 32.46 27.77 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 -2.11 7.36 -0.25 0.55 -0.00 -1.11 -4.78 116.67 116.33 1otx s ASP 102 Ca 0.00 1.98 -0.20 0.00 -0.00 0.00 0.00 52.55 54.34 1otx s ASP 102 Cb 0.00 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.30 1otx s ASP 102 CO 0.00 -0.15 0.59 -0.69 -0.00 0.00 0.00 175.17 174.92 1otx s VAL 103 N -0.20 5.02 -0.03 -1.27 1.01 -1.26 -1.49 120.40 122.18 1otx s VAL 103 Ca 0.48 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.56 1otx s VAL 103 Cb -0.27 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1otx s VAL 103 CO 0.33 0.06 -0.15 -0.69 0.00 0.00 0.00 175.10 174.65 1otx s VAL 104 N 2.33 2.96 -0.18 2.92 1.01 0.27 -1.63 120.40 128.08 1otx s VAL 104 Ca 0.25 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1otx s VAL 104 Cb -0.16 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1otx s VAL 104 CO 0.09 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 174.91 1otx s ILE 105 N -0.76 2.09 -1.18 2.22 1.01 0.24 0.01 121.20 124.83 1otx s ILE 105 Ca 0.12 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 1otx s ILE 105 Cb -0.11 -1.87 0.08 0.00 0.01 0.00 0.00 42.46 40.57 1otx s ILE 105 CO 0.01 0.54 1.58 -0.83 0.00 0.00 0.00 174.94 176.24 1otx s GLY 106 N 1.28 1.61 0.37 6.18 0.00 -0.58 -1.49 107.32 114.69 1otx s GLY 106 Ca 0.05 -2.75 0.06 0.00 0.00 0.00 0.00 44.72 42.08 1otx s GLY 106 CO -0.12 2.61 1.97 1.98 0.00 0.00 0.00 173.10 179.53 1otx h MET 107 N 8.31 0.71 -4.57 2.90 4.05 -1.19 -3.39 114.93 121.74 1otx h MET 107 Ca 0.34 -0.04 -0.23 0.00 -0.28 0.00 0.00 59.70 59.48 1otx h MET 107 Cb 0.92 -0.16 -0.15 0.00 -0.80 0.00 0.00 31.60 31.42 1otx h MET 107 CO 1.41 0.47 -0.63 0.20 0.23 0.00 0.00 176.91 178.59 1otx s GLY 108 N -3.59 1.36 -0.16 1.39 0.00 -0.94 -0.56 107.32 104.83 1otx s GLY 108 Ca -0.09 -1.66 -0.06 0.00 0.00 0.00 0.00 44.72 42.91 1otx s GLY 108 CO 0.77 -1.40 0.33 0.00 0.00 0.00 0.00 173.10 172.80 1otx s ALA 109 N -4.12 -0.82 0.79 3.20 0.00 -0.24 -1.34 121.76 119.22 1otx s ALA 109 Ca 0.36 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.40 1otx s ALA 109 Cb 0.07 -1.15 0.09 0.00 0.00 0.00 0.00 23.12 22.13 1otx s ALA 109 CO 0.10 -0.69 1.14 0.00 0.00 0.00 0.00 175.76 176.31 1otx s THR 111 N -3.50 0.00 -0.03 0.00 -1.32 -1.26 -0.53 115.64 109.01 1otx s THR 111 Ca 0.63 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 61.05 1otx s THR 111 Cb -0.10 -1.00 -0.29 0.00 -1.51 0.00 0.00 72.50 69.60 1otx s THR 111 CO 0.48 0.00 0.73 0.44 -2.21 0.00 0.00 174.62 174.06 1otx h ASP 112 N 2.15 0.47 -3.29 8.08 3.45 -1.88 -3.48 116.42 121.93 1otx h ASP 112 Ca -0.22 -0.71 -0.53 0.00 0.43 0.00 0.00 57.03 56.00 1otx h ASP 112 Cb 1.23 -0.15 0.22 0.00 -0.56 0.00 0.00 39.33 40.06 1otx h ASP 112 CO 0.32 1.60 -0.65 -0.24 -1.57 0.00 0.00 179.24 178.70 1otx n SER 113 N -3.49 -2.24 -0.51 6.45 2.88 -1.26 -4.93 113.62 110.52 1otx n SER 113 Ca -0.21 0.29 0.05 0.00 -1.33 0.00 0.00 58.87 57.68 1otx n SER 113 Cb 1.06 -1.17 0.09 0.00 -0.75 0.00 0.00 64.21 63.43 1otx n SER 113 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1otx n LYS 114 N -1.59 1.52 0.05 -1.46 4.81 -1.26 -4.77 118.16 115.46 1otx n LYS 114 Ca 0.06 -1.53 -0.11 0.00 -0.87 0.00 0.00 58.31 55.86 1otx n LYS 114 Cb 0.54 -1.23 -0.05 0.00 0.02 0.00 0.00 35.03 34.31 1otx n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1otx h VAL 115 N 2.06 0.76 0.00 3.15 -1.51 -2.00 -2.26 116.25 116.45 1otx h VAL 115 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 1otx h VAL 115 Cb 0.57 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 1otx h VAL 115 CO 0.00 0.00 -0.29 0.78 -1.23 0.00 0.00 177.57 176.83 1otx h ASN 116 N -0.16 0.00 -0.27 4.19 2.35 -1.93 -2.17 115.58 117.59 1otx h ASN 116 Ca 0.04 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1otx h ASN 116 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1otx h ASN 116 CO -0.10 0.29 -0.07 0.03 -1.65 0.00 0.00 177.43 175.93 1otx h ARG 117 N 0.00 0.66 -0.36 0.81 3.08 -1.72 0.69 114.38 117.54 1otx h ARG 117 Ca -0.00 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 1otx h ARG 117 Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1otx h ARG 117 CO 0.04 0.72 -0.04 0.82 -1.07 0.00 0.00 179.97 180.45 1otx h ILE 118 N 0.61 1.22 0.11 2.04 1.08 -0.84 0.18 117.51 121.91 1otx h ILE 118 Ca 0.11 -0.91 -0.26 0.00 -0.39 0.00 0.00 64.86 63.41 1otx h ILE 118 Cb 0.49 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1otx h ILE 118 CO 0.03 0.31 -1.19 0.03 -0.69 0.00 0.00 178.15 176.63 1otx h ARG 119 N 0.55 0.28 -0.82 2.37 3.08 -0.74 -3.38 114.38 115.72 1otx h ARG 119 Ca 0.11 -0.44 -0.52 0.00 0.07 0.00 0.00 59.98 59.20 1otx h ARG 119 Cb 0.41 0.16 -0.28 0.00 0.08 0.00 0.00 29.97 30.33 1otx h ARG 119 CO 0.02 1.19 0.30 0.34 -1.07 0.00 0.00 179.97 180.75 1otx n PHE 120 N -3.56 2.67 -3.79 3.04 7.35 0.23 -4.94 117.46 118.46 1otx n PHE 120 Ca -0.08 -2.35 -0.23 0.00 -0.76 0.00 0.00 57.45 54.03 1otx n PHE 120 Cb 0.99 -0.94 0.02 0.00 0.35 0.00 0.00 39.48 39.90 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 -0.97 -4.46 -1.21 -4.13 4.76 -1.12 -1.31 118.16 109.72 1otx n LYS 121 Ca 0.53 0.55 -0.10 0.00 -2.87 0.00 0.00 58.31 56.42 1otx n LYS 121 Cb 1.00 -5.01 -0.04 0.00 -1.84 0.00 0.00 35.03 29.14 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 -3.02 -4.88 -1.93 4.39 4.64 0.62 -4.95 116.55 111.42 1otx n ASP 122 Ca -0.28 0.24 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 1otx n ASP 122 Cb 0.67 -3.69 0.00 0.00 -1.04 0.00 0.00 41.12 37.06 1otx n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1otx n HIS 123 N -1.96 -3.05 -3.44 -0.67 8.25 -0.43 -5.02 115.22 108.91 1otx n HIS 123 Ca -0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.94 1otx n HIS 123 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.00 6.13 -0.21 0.41 1.11 -1.26 -4.61 116.67 117.23 1otx s ASP 124 Ca 0.00 -0.70 -0.10 0.00 0.18 0.00 0.00 52.55 51.93 1otx s ASP 124 Cb 0.00 -2.17 -0.05 0.00 1.07 0.00 0.00 42.92 41.77 1otx s ASP 124 CO 0.00 -0.43 0.14 0.12 1.18 0.00 0.00 175.17 176.18 1otx s PHE 125 N 1.82 3.37 -0.71 4.23 5.36 -1.26 -5.03 117.98 125.76 1otx s PHE 125 Ca 0.07 0.28 -0.23 0.00 -0.96 0.00 0.00 56.93 56.09 1otx s PHE 125 Cb -0.18 -2.20 0.07 0.00 -0.34 0.00 0.00 43.02 40.37 1otx s PHE 125 CO 0.11 0.20 1.05 0.00 -1.46 0.00 0.00 175.22 175.12 1otx s ALA 126 N 0.63 3.05 -0.42 11.12 0.00 -1.26 -4.97 121.76 129.91 1otx s ALA 126 Ca 0.08 -1.83 -0.28 0.00 0.00 0.00 0.00 51.96 49.93 1otx s ALA 126 Cb -0.12 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 1otx s ALA 126 CO 0.00 -2.92 1.90 0.00 0.00 0.00 0.00 175.76 174.75 1otx s ALA 127 N 4.32 2.54 0.24 0.00 0.00 -1.26 -4.95 121.76 122.66 1otx s ALA 127 Ca 0.26 0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.34 1otx s ALA 127 Cb -0.14 -4.13 -0.05 0.00 0.00 0.00 0.00 23.12 18.80 1otx s ALA 127 CO 0.09 -3.17 -0.19 0.96 0.00 0.00 0.00 175.76 173.45 1otx s ILE 128 N 8.10 2.25 0.94 0.00 -4.36 -1.26 -1.08 121.20 125.79 1otx s ILE 128 Ca 0.79 -2.28 -0.14 0.00 -0.26 0.00 0.00 60.65 58.76 1otx s ILE 128 Cb -0.20 -2.19 0.20 0.00 1.25 0.00 0.00 42.46 41.52 1otx s ILE 128 CO 0.29 -0.40 1.29 0.00 0.24 0.00 0.00 174.94 176.36 1otx s ALA 129 N -2.47 2.43 -0.15 2.27 0.00 0.28 -4.83 121.76 119.28 1otx s ALA 129 Ca 0.26 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 1otx s ALA 129 Cb -0.04 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 1otx s ALA 129 CO 0.12 -2.36 0.70 0.34 0.00 0.00 0.00 175.76 174.56 1otx s ASP 130 N -4.90 6.83 0.20 0.00 -1.08 -0.79 -4.96 116.67 111.99 1otx s ASP 130 Ca 0.74 1.01 -0.11 0.00 -0.52 0.00 0.00 52.55 53.67 1otx s ASP 130 Cb -0.03 -2.39 0.27 0.00 -1.46 0.00 0.00 42.92 39.31 1otx s ASP 130 CO 0.52 -0.26 1.69 0.15 0.52 0.00 0.00 175.17 177.80 1otx h PHE 131 N 7.23 0.12 -0.54 -5.34 3.57 -1.95 -1.40 116.94 118.63 1otx h PHE 131 Ca -0.34 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.17 1otx h PHE 131 Cb 1.15 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1otx h PHE 131 CO 0.69 -0.07 0.22 -0.44 -2.23 0.00 0.00 178.31 176.49 1otx h ASP 132 N 0.20 0.70 -0.28 0.41 3.32 -1.99 -0.68 116.42 118.11 1otx h ASP 132 Ca 0.30 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 1otx h ASP 132 Cb 0.45 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1otx h ASP 132 CO -0.42 0.63 -0.31 0.24 -1.72 0.00 0.00 179.24 177.66 1otx h MET 133 N 0.77 0.80 -0.27 3.56 2.86 -1.78 0.23 114.93 121.10 1otx h MET 133 Ca 0.19 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1otx h MET 133 Cb 0.15 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1otx h MET 133 CO -0.02 1.00 0.12 0.28 1.06 0.00 0.00 176.91 179.35 1otx h VAL 134 N 0.67 1.15 -0.23 -2.22 2.07 -0.51 -0.63 116.25 116.55 1otx h VAL 134 Ca 0.07 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1otx h VAL 134 Cb 0.85 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1otx h VAL 134 CO 0.07 0.16 0.07 -0.09 0.02 0.00 0.00 177.57 177.80 1otx h ARG 135 N 0.30 0.36 -0.66 1.57 2.43 -0.97 -0.17 114.38 117.23 1otx h ARG 135 Ca 0.09 -0.08 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1otx h ARG 135 Cb 0.13 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 1otx h ARG 135 CO -0.01 0.45 0.27 -0.91 -1.51 0.00 0.00 179.97 178.26 1otx h ASN 136 N 0.20 0.29 -0.26 -3.80 2.35 -0.39 0.57 115.58 114.54 1otx h ASN 136 Ca 0.07 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1otx h ASN 136 Cb 0.25 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1otx h ASN 136 CO -0.00 0.16 0.14 0.00 -1.65 0.00 0.00 177.43 176.07 1otx h ALA 137 N 1.45 0.34 -0.05 -0.83 0.00 -0.73 -1.02 119.26 118.41 1otx h ALA 137 Ca 0.34 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1otx h ALA 137 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1otx h ALA 137 CO -0.32 -0.12 -0.02 0.28 0.00 0.00 0.00 179.25 179.07 1otx h VAL 138 N 0.31 0.92 -0.91 0.00 2.07 -0.11 -1.45 116.25 117.07 1otx h VAL 138 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1otx h VAL 138 Cb 0.09 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1otx h VAL 138 CO -0.01 0.00 0.60 0.44 0.02 0.00 0.00 177.57 178.62 1otx h ASP 139 N -0.02 1.03 -0.18 0.57 3.45 -0.81 -1.29 116.42 119.18 1otx h ASP 139 Ca 0.03 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.45 1otx h ASP 139 Cb 0.06 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 1otx h ASP 139 CO -0.06 0.73 0.02 0.00 -1.57 0.00 0.00 179.24 178.35 1otx h ALA 140 N 1.44 0.23 -0.35 3.45 0.00 -0.83 -0.57 119.26 122.64 1otx h ALA 140 Ca 0.35 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1otx h ALA 140 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1otx h ALA 140 CO -0.09 -0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.31 1otx h ALA 141 N 0.81 1.76 -0.17 0.00 0.00 -0.95 -1.21 119.26 119.48 1otx h ALA 141 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1otx h ALA 141 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1otx h ALA 141 CO 0.01 0.22 0.00 -0.22 0.00 0.00 0.00 179.25 179.26 1otx h LYS 142 N 0.47 0.30 0.00 0.00 3.64 -0.87 0.88 116.57 121.00 1otx h LYS 142 Ca 0.13 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1otx h LYS 142 Cb -0.04 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1otx h LYS 142 CO -0.03 0.52 -0.02 0.00 -2.27 0.00 0.00 179.45 177.64 1otx h ALA 143 N 0.78 1.70 -0.51 5.00 0.00 -0.03 0.26 119.26 126.45 1otx h ALA 143 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1otx h ALA 143 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1otx h ALA 143 CO 0.01 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1otx n LEU 144 N -4.13 2.94 -2.29 0.00 4.77 -0.56 -4.93 117.00 112.80 1otx n LEU 144 Ca -0.03 -1.47 -0.21 0.00 -0.03 0.00 0.00 56.01 54.27 1otx n LEU 144 Cb 0.11 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1otx n LEU 144 CO 0.31 0.68 -0.26 0.61 -1.33 0.00 0.00 177.39 177.40 1otx n GLY 145 N 1.25 -0.14 3.71 -0.72 0.00 0.90 -4.98 105.19 105.21 1otx n GLY 145 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.00 4.83 -0.27 -0.61 1.01 0.30 -4.99 121.20 118.46 1otx s ILE 146 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 1otx s ILE 146 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1otx s ILE 146 CO 0.00 0.54 0.86 -1.81 0.00 0.00 0.00 174.94 174.54 1otx s ASP 147 N -0.35 6.81 -0.12 3.58 1.01 -1.26 -4.00 116.67 122.33 1otx s ASP 147 Ca 0.09 0.93 0.02 0.00 0.71 0.00 0.00 52.55 54.31 1otx s ASP 147 Cb -0.12 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1otx s ASP 147 CO 0.02 -0.61 -0.19 0.00 0.21 0.00 0.00 175.17 174.60 1otx s ALA 148 N 3.01 1.97 0.03 5.23 0.00 -1.26 -4.10 121.76 126.64 1otx s ALA 148 Ca 0.36 -0.90 -0.20 0.00 0.00 0.00 0.00 51.96 51.22 1otx s ALA 148 Cb -0.14 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 22.02 1otx s ALA 148 CO 0.10 -0.02 0.59 1.03 0.00 0.00 0.00 175.76 177.46 1otx s ARG 149 N 0.85 4.28 -0.09 0.00 0.52 -0.64 -4.94 118.95 118.93 1otx s ARG 149 Ca -0.08 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 55.89 1otx s ARG 149 Cb -0.15 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 1otx s ARG 149 CO -0.01 0.48 -0.12 0.08 0.02 0.00 0.00 175.30 175.75 1otx s VAL 150 N -0.57 3.18 -0.80 3.52 1.01 -1.26 -0.59 120.40 124.89 1otx s VAL 150 Ca 0.30 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1otx s VAL 150 Cb -0.19 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1otx s VAL 150 CO 0.18 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1otx n GLY 151 N 2.87 -0.81 3.82 4.51 0.00 -0.56 -4.92 105.19 110.10 1otx n GLY 151 Ca -0.18 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 6.48 0.34 1.61 0.02 -1.26 -0.64 114.94 117.50 1otx s ASN 152 Ca 0.00 0.57 0.07 0.00 -1.02 0.00 0.00 52.86 52.49 1otx s ASN 152 Cb 0.00 -2.14 -0.03 0.00 0.02 0.00 0.00 41.25 39.10 1otx s ASN 152 CO 0.00 0.30 0.29 -0.76 0.02 0.00 0.00 177.10 176.95 1otx s LEU 153 N -0.58 3.58 -0.16 0.60 1.43 -0.45 -0.50 118.68 122.59 1otx s LEU 153 Ca 0.17 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1otx s LEU 153 Cb -0.13 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1otx s LEU 153 CO 0.06 -0.36 -0.19 0.12 0.23 0.00 0.00 176.35 176.20 1otx s PHE 154 N -2.32 2.64 -0.60 0.29 5.36 0.01 -0.11 117.98 123.25 1otx s PHE 154 Ca 0.41 -1.50 -0.17 0.00 -0.96 0.00 0.00 56.93 54.71 1otx s PHE 154 Cb -0.06 -1.83 0.12 0.00 -0.34 0.00 0.00 43.02 40.91 1otx s PHE 154 CO 0.26 -0.74 0.64 -1.12 -1.46 0.00 0.00 175.22 172.81 1otx s SER 155 N 1.21 6.24 0.21 6.13 0.01 0.32 -0.60 113.70 127.22 1otx s SER 155 Ca 0.02 -1.68 -0.21 0.00 1.31 0.00 0.00 55.95 55.39 1otx s SER 155 Cb -0.14 -2.26 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 1otx s SER 155 CO -0.10 -0.98 0.73 0.00 0.41 0.00 0.00 173.24 173.30 1otx s ALA 156 N 2.09 3.42 0.05 1.44 0.00 -0.17 -2.59 121.76 126.00 1otx s ALA 156 Ca 0.09 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1otx s ALA 156 Cb -0.25 -2.85 -0.28 0.00 0.00 0.00 0.00 23.12 19.75 1otx s ALA 156 CO 0.03 0.32 1.05 -0.44 0.00 0.00 0.00 175.76 176.72 1otx h ASP 157 N 3.63 0.38 -3.69 0.00 3.45 -1.91 -3.41 116.42 114.86 1otx h ASP 157 Ca -0.48 -0.45 -0.69 0.00 0.43 0.00 0.00 57.03 55.85 1otx h ASP 157 Cb 1.20 -0.12 -0.32 0.00 -0.56 0.00 0.00 39.33 39.52 1otx h ASP 157 CO 0.65 1.36 -0.65 -0.76 -1.57 0.00 0.00 179.24 178.27 1otx s LEU 158 N -7.05 4.25 0.57 1.55 1.43 -1.26 -4.95 118.68 113.22 1otx s LEU 158 Ca -0.05 -1.36 0.27 0.00 -1.03 0.00 0.00 54.13 51.96 1otx s LEU 158 Cb 0.07 -1.78 1.68 0.00 0.03 0.00 0.00 46.19 46.20 1otx s LEU 158 CO 0.87 -0.33 2.21 0.15 0.23 0.00 0.00 176.35 179.48 1otx h PHE 159 N 8.07 0.00 -3.09 0.29 3.04 -1.98 -3.01 116.94 120.26 1otx h PHE 159 Ca -0.20 0.00 -0.62 0.00 3.98 0.00 0.00 57.97 61.12 1otx h PHE 159 Cb 1.06 0.00 -0.42 0.00 2.56 0.00 0.00 35.95 39.16 1otx h PHE 159 CO 0.60 0.02 -0.55 0.71 -2.02 0.00 0.00 178.31 177.07 1otx s TYR 160 N -4.62 3.59 0.42 0.41 2.02 -1.26 -5.09 117.35 112.82 1otx s TYR 160 Ca -0.05 -3.34 -0.24 0.00 -0.37 0.00 0.00 57.07 53.07 1otx s TYR 160 Cb 0.15 -2.73 -0.08 0.00 -0.40 0.00 0.00 41.96 38.90 1otx s TYR 160 CO 0.57 -0.55 1.15 -1.54 -1.57 0.00 0.00 175.55 173.61 1otx s SER 161 N -1.42 6.46 0.00 2.29 1.04 -1.14 -4.92 113.70 116.01 1otx s SER 161 Ca 0.25 2.28 0.30 0.00 0.48 0.00 0.00 55.95 59.27 1otx s SER 161 Cb -0.05 -2.61 1.56 0.00 0.10 0.00 0.00 66.02 65.03 1otx s SER 161 CO -0.17 -0.71 2.05 -0.81 0.98 0.00 0.00 173.24 174.58 1otx n PRO 162 N -0.11 0.92 -3.69 4.02 -0.04 -1.26 -4.63 135.00 130.21 1otx n PRO 162 Ca 0.05 -0.19 -0.28 0.00 -0.04 0.00 0.00 63.50 63.05 1otx n PRO 162 Cb 0.47 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 1otx n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1otx s ASP 163 N -2.21 3.17 0.00 3.54 1.01 -1.26 -4.99 116.67 115.93 1otx s ASP 163 Ca 0.39 -1.04 0.30 0.00 0.71 0.00 0.00 52.55 52.91 1otx s ASP 163 Cb 0.21 -0.57 1.49 0.00 1.01 0.00 0.00 42.92 45.06 1otx s ASP 163 CO 0.41 -0.35 2.02 0.61 0.21 0.00 0.00 175.17 178.06 1otx n GLY 164 N 5.07 -1.02 0.26 0.21 0.00 -1.26 -3.36 105.19 105.09 1otx n GLY 164 Ca -0.07 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 45.91 1otx n GLY 164 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1otx h GLU 165 N 0.33 0.00 0.00 1.61 3.07 -1.99 -2.64 114.58 114.96 1otx h GLU 165 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1otx h GLU 165 Cb 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1otx h GLU 165 CO 0.00 0.00 -0.27 1.98 -1.40 0.00 0.00 179.01 179.32 1otx h MET 166 N 0.00 0.00 -0.16 2.33 4.05 -2.00 -2.92 114.93 116.23 1otx h MET 166 Ca 0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1otx h MET 166 Cb 0.42 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1otx h MET 166 CO 0.00 0.27 -0.39 0.74 0.23 0.00 0.00 176.91 177.77 1otx h PHE 167 N 0.00 0.42 -0.19 1.39 -1.00 -1.73 -0.33 116.94 115.50 1otx h PHE 167 Ca -0.00 -0.11 -0.11 0.00 2.81 0.00 0.00 57.97 60.56 1otx h PHE 167 Cb 0.58 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1otx h PHE 167 CO 0.00 0.70 -0.36 -0.44 -1.61 0.00 0.00 178.31 176.60 1otx h ASP 168 N 0.30 0.42 -0.03 2.17 3.32 -1.68 -1.61 116.42 119.31 1otx h ASP 168 Ca 0.03 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1otx h ASP 168 Cb 0.82 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1otx h ASP 168 CO 0.07 0.75 -0.00 0.58 -1.72 0.00 0.00 179.24 178.91 1otx h VAL 169 N 0.35 1.27 -0.55 -1.35 2.07 -1.37 0.83 116.25 117.49 1otx h VAL 169 Ca 0.04 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.81 1otx h VAL 169 Cb 0.79 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1otx h VAL 169 CO 0.06 0.21 0.27 0.24 0.02 0.00 0.00 177.57 178.37 1otx h MET 170 N -0.27 0.50 -0.45 1.57 2.86 -0.95 -1.58 114.93 116.61 1otx h MET 170 Ca 0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1otx h MET 170 Cb 0.35 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1otx h MET 170 CO 0.00 0.33 0.22 1.49 1.06 0.00 0.00 176.91 180.01 1otx h GLU 171 N 0.51 0.64 -0.53 1.72 4.81 -1.19 -1.05 114.58 119.49 1otx h GLU 171 Ca 0.25 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1otx h GLU 171 Cb 0.19 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1otx h GLU 171 CO -0.19 0.54 0.29 -0.22 -0.73 0.00 0.00 179.01 178.70 1otx h LYS 172 N 0.58 0.54 -0.85 1.92 3.64 -0.14 -2.06 116.57 120.20 1otx h LYS 172 Ca 0.15 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1otx h LYS 172 Cb 0.11 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1otx h LYS 172 CO -0.02 0.36 0.03 0.66 -2.27 0.00 0.00 179.45 178.21 1otx n TYR 173 N -4.85 0.93 -1.14 1.91 4.01 -0.66 -4.92 117.16 112.44 1otx n TYR 173 Ca 0.05 -0.39 -0.05 0.00 -0.16 0.00 0.00 57.90 57.35 1otx n TYR 173 Cb 0.13 -0.31 -0.02 0.00 -0.31 0.00 0.00 39.34 38.83 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 0.21 0.65 3.67 2.72 0.00 -0.78 -4.99 105.19 106.68 1otx n GLY 174 Ca 0.13 -0.19 -0.47 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.52 0.14 0.08 -0.61 -0.00 -0.43 -4.70 119.36 111.32 1otx n ILE 175 Ca -0.05 -0.02 -0.13 0.00 -0.00 0.00 0.00 62.75 62.55 1otx n ILE 175 Cb 0.33 -1.58 -0.13 0.00 -0.00 0.00 0.00 39.64 38.25 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 6.64 0.26 -7.24 1.39 3.38 -1.13 -3.41 115.31 115.20 1otx h LEU 176 Ca -0.46 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.14 1otx h LEU 176 Cb 1.26 -0.08 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 1otx h LEU 176 CO 0.90 1.23 -0.03 -0.83 0.09 0.00 0.00 178.44 179.79 1otx s GLY 177 N -4.71 -0.38 -0.26 0.83 0.00 -1.24 -4.52 107.32 97.04 1otx s GLY 177 Ca -0.03 0.90 -0.07 0.00 0.00 0.00 0.00 44.72 45.53 1otx s GLY 177 CO 0.86 0.61 0.05 0.14 0.00 0.00 0.00 173.10 174.77 1otx s VAL 178 N -1.15 4.06 0.00 1.40 1.01 0.13 -0.81 120.40 125.04 1otx s VAL 178 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1otx s VAL 178 Cb -0.03 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1otx s VAL 178 CO 0.07 0.28 0.00 -1.84 0.00 0.00 0.00 175.10 173.61 1otx n GLU 179 N 4.89 0.91 -0.49 2.72 -0.00 0.23 -1.65 120.64 127.25 1otx n GLU 179 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1otx n GLU 179 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 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 -1.00 117.12 121.11 1otx n MET 180 Ca 0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 1otx n MET 180 Cb 0.00 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 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 0.00 0.00 -0.30 0.03 4.71 -1.26 -2.46 120.64 121.35 1otx n GLU 181 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1otx n GLU 181 Cb 0.68 -0.48 -0.05 0.00 -1.01 0.00 0.00 31.44 30.58 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 -1.25 -0.40 -0.29 0.62 0.00 -1.26 0.71 120.51 118.64 1otx n ALA 182 Ca 0.00 0.64 0.11 0.00 0.00 0.00 0.00 53.44 54.20 1otx n ALA 182 Cb 0.00 -0.14 0.35 0.00 0.00 0.00 0.00 19.45 19.66 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 0.49 1.77 -0.19 0.00 0.00 -1.83 0.24 119.26 119.74 1otx h ALA 183 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1otx h ALA 183 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1otx h ALA 183 CO -0.70 -0.03 -0.08 0.78 0.00 0.00 0.00 179.25 179.23 1otx h GLY 184 N 0.75 0.41 1.35 0.00 0.00 -0.06 -2.05 103.07 103.46 1otx h GLY 184 Ca 0.47 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1otx h GLY 184 CO -0.23 0.33 0.01 -2.22 0.00 0.00 0.00 176.54 174.43 1otx h ILE 185 N 0.08 1.24 0.00 2.60 2.04 0.63 -1.26 117.51 122.84 1otx h ILE 185 Ca 0.04 -0.99 -0.13 0.00 1.00 0.00 0.00 64.86 64.79 1otx h ILE 185 Cb 0.55 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1otx h ILE 185 CO 0.02 0.35 -0.60 1.88 0.00 0.00 0.00 178.15 179.80 1otx h TYR 186 N 0.75 0.00 -0.22 1.37 0.99 -0.62 -1.22 116.97 118.02 1otx h TYR 186 Ca 0.15 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.83 1otx h TYR 186 Cb 0.44 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.16 1otx h TYR 186 CO 0.02 0.60 -0.06 0.78 -0.00 0.00 0.00 178.16 179.50 1otx h GLY 187 N 1.97 0.46 0.93 3.88 0.00 -0.86 -2.25 103.07 107.20 1otx h GLY 187 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1otx h GLY 187 CO 0.08 0.35 0.11 -2.08 0.00 0.00 0.00 176.54 175.01 1otx h VAL 188 N 0.15 1.13 -0.55 4.60 2.07 -1.10 -0.74 116.25 121.82 1otx h VAL 188 Ca 0.05 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.28 1otx h VAL 188 Cb 0.52 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1otx h VAL 188 CO 0.02 0.13 0.19 0.00 0.02 0.00 0.00 177.57 177.93 1otx h ALA 189 N 0.98 0.68 -0.45 1.67 0.00 -1.20 0.73 119.26 121.67 1otx h ALA 189 Ca 0.08 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1otx h ALA 189 Cb 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1otx h ALA 189 CO -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 179.25 178.91 1otx h ALA 190 N 1.38 0.62 -0.48 0.00 0.00 -1.25 0.20 119.26 119.73 1otx h ALA 190 Ca 0.27 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1otx h ALA 190 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1otx h ALA 190 CO -0.28 0.52 0.14 1.49 0.00 0.00 0.00 179.25 181.11 1otx h GLU 191 N 0.71 0.72 -0.26 0.00 4.81 -0.29 -3.11 114.58 117.17 1otx h GLU 191 Ca 0.11 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1otx h GLU 191 Cb 0.66 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1otx h GLU 191 CO 0.05 0.64 0.00 1.19 -0.73 0.00 0.00 179.01 180.16 1otx n PHE 192 N -4.31 0.78 -2.28 0.92 3.01 0.17 -5.00 117.46 110.76 1otx n PHE 192 Ca 0.03 -0.80 -0.15 0.00 1.01 0.00 0.00 57.45 57.54 1otx n PHE 192 Cb 0.20 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.42 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 -0.36 -0.23 1.36 1.37 0.00 -0.01 -4.96 105.19 102.36 1otx n GLY 193 Ca 0.19 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.70 0.38 -3.04 4.61 0.00 0.51 -5.01 120.51 116.26 1otx n ALA 194 Ca -0.18 -0.75 -0.26 0.00 0.00 0.00 0.00 53.44 52.25 1otx n ALA 194 Cb 0.64 0.25 -0.16 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.87 1.85 0.06 0.00 1.02 -0.90 -4.52 119.74 114.38 1otx s LYS 195 Ca 0.17 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1otx s LYS 195 Cb -0.01 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 1otx s LYS 195 CO 0.11 0.19 -0.06 0.00 -0.92 0.00 0.00 175.35 174.67 1otx s ALA 196 N 0.19 0.63 -0.02 5.17 0.00 -1.26 -1.31 121.76 125.15 1otx s ALA 196 Ca -0.07 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 1otx s ALA 196 Cb -0.13 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1otx s ALA 196 CO 0.03 -0.13 0.18 -1.17 0.00 0.00 0.00 175.76 174.67 1otx s LEU 197 N -2.13 1.36 -0.11 0.00 2.96 -0.68 -1.88 118.68 118.19 1otx s LEU 197 Ca -0.03 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1otx s LEU 197 Cb -0.04 0.76 0.01 0.00 0.50 0.00 0.00 46.19 47.43 1otx s LEU 197 CO -0.02 -0.29 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.68 1otx s THR 198 N -0.92 1.50 -0.06 3.68 2.01 -1.26 -0.18 115.64 120.40 1otx s THR 198 Ca -0.10 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1otx s THR 198 Cb -0.05 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1otx s THR 198 CO 0.02 0.44 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.55 1otx s ILE 199 N 0.99 2.43 0.04 1.82 1.01 0.45 -1.53 121.20 126.42 1otx s ILE 199 Ca -0.06 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1otx s ILE 199 Cb -0.15 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1otx s ILE 199 CO -0.02 0.57 -0.08 0.00 0.00 0.00 0.00 174.94 175.42 1otx s THR 201 N -1.33 3.51 -0.25 0.00 -4.23 -1.04 0.96 115.64 113.26 1otx s THR 201 Ca -0.10 -0.55 -0.29 0.00 -1.18 0.00 0.00 61.69 59.58 1otx s THR 201 Cb -0.10 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 1otx s THR 201 CO 0.00 0.59 1.33 -0.69 -0.54 0.00 0.00 174.62 175.31 1otx s VAL 202 N -0.67 4.12 -1.58 2.29 1.01 -0.56 -1.88 120.40 123.13 1otx s VAL 202 Ca 0.10 1.29 0.14 0.00 0.00 0.00 0.00 61.98 63.51 1otx s VAL 202 Cb -0.11 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.28 1otx s VAL 202 CO 0.01 -0.36 0.88 -1.54 0.00 0.00 0.00 175.10 174.09 1otx n SER 203 N 7.45 1.89 -3.55 3.32 3.41 -0.34 -1.95 113.62 123.85 1otx n SER 203 Ca 0.15 -1.44 -0.17 0.00 -0.26 0.00 0.00 58.87 57.14 1otx n SER 203 Cb 0.46 0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 1otx n SER 203 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1otx s ASP 204 N -1.44 -0.59 -0.35 4.04 -1.08 -1.23 -1.53 116.67 114.50 1otx s ASP 204 Ca 0.15 0.63 0.02 0.00 -0.52 0.00 0.00 52.55 52.83 1otx s ASP 204 Cb 0.12 0.51 0.10 0.00 -1.46 0.00 0.00 42.92 42.19 1otx s ASP 204 CO 0.26 -0.59 0.09 -2.28 0.52 0.00 0.00 175.17 173.17 1otx s HIS 205 N -1.20 2.86 -1.28 -5.34 5.65 -1.07 -0.03 115.29 114.87 1otx s HIS 205 Ca -0.11 -2.51 0.00 0.00 0.25 0.00 0.00 55.06 52.69 1otx s HIS 205 Cb -0.01 -2.41 0.00 0.00 -1.18 0.00 0.00 32.58 28.99 1otx s HIS 205 CO 0.09 -0.90 0.71 -0.89 -0.65 0.00 0.00 174.74 173.10 1otx n ILE 206 N 4.36 0.94 0.00 0.89 5.41 -0.29 -0.66 119.36 130.01 1otx n ILE 206 Ca 0.02 0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.04 1otx n ILE 206 Cb 0.41 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 1otx n ILE 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1otx n ARG 207 N -1.21 0.00 0.00 0.38 5.12 -1.26 -4.53 116.66 115.17 1otx n ARG 207 Ca 0.00 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.97 1otx n ARG 207 Cb 0.03 -0.07 0.27 0.00 -1.16 0.00 0.00 32.46 31.53 1otx n ARG 207 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1otx n THR 208 N -0.35 0.30 -2.67 0.55 -2.24 -1.23 -4.92 114.28 103.72 1otx n THR 208 Ca 0.00 0.08 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1otx n THR 208 Cb 0.00 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.27 1otx n THR 208 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1otx n HIS 209 N -1.11 -3.36 -3.21 4.78 8.25 0.17 -5.05 115.22 115.69 1otx n HIS 209 Ca 0.06 1.96 0.04 0.00 -0.26 0.00 0.00 57.72 59.53 1otx n HIS 209 Cb 0.05 -3.15 -0.03 0.00 1.12 0.00 0.00 29.99 27.98 1otx n HIS 209 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1otx s GLU 210 N -0.48 0.15 -0.32 -0.41 2.12 -1.23 -4.95 118.70 113.58 1otx s GLU 210 Ca -0.19 0.32 -0.15 0.00 0.36 0.00 0.00 54.97 55.31 1otx s GLU 210 Cb 0.01 0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 1otx s GLU 210 CO 0.51 -0.12 0.35 -0.65 -0.54 0.00 0.00 175.26 174.81 1otx s GLN 211 N 2.65 3.73 0.41 4.30 1.11 -1.26 -2.61 119.66 127.99 1otx s GLN 211 Ca -0.02 -0.28 -0.27 0.00 0.01 0.00 0.00 55.36 54.80 1otx s GLN 211 Cb -0.07 -3.75 -0.10 0.00 -1.01 0.00 0.00 33.01 28.09 1otx s GLN 211 CO -0.13 -0.42 1.43 -0.08 0.01 0.00 0.00 175.29 176.10 1otx s THR 212 N 2.01 2.17 -0.30 -0.19 -1.32 -0.58 -4.99 115.64 112.43 1otx s THR 212 Ca 0.12 0.16 -0.11 0.00 -1.21 0.00 0.00 61.69 60.65 1otx s THR 212 Cb -0.16 -3.10 0.17 0.00 -1.51 0.00 0.00 72.50 67.90 1otx s THR 212 CO 0.11 0.03 0.87 -0.89 -2.21 0.00 0.00 174.62 172.54 1otx s THR 213 N -1.17 -0.63 -2.10 5.08 2.01 -1.26 -4.99 115.64 112.58 1otx s THR 213 Ca 0.56 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1otx s THR 213 Cb -0.44 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.07 1otx s THR 213 CO 0.58 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.51 1otx n ALA 214 N 5.27 0.00 0.23 7.40 0.00 -1.26 -4.87 120.51 127.28 1otx n ALA 214 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.47 1otx n ALA 214 Cb 0.52 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.48 1otx n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otx h ALA 215 N 0.00 1.10 -0.17 0.00 0.00 -2.02 -2.71 119.26 115.46 1otx h ALA 215 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1otx h ALA 215 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1otx h ALA 215 CO 0.00 0.28 -0.07 0.93 0.00 0.00 0.00 179.25 180.39 1otx h GLU 216 N 0.00 0.35 -0.17 0.00 5.08 -1.98 0.04 114.58 117.89 1otx h GLU 216 Ca -0.00 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1otx h GLU 216 Cb 0.65 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1otx h GLU 216 CO 0.03 0.65 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.57 1otx h ARG 217 N 0.03 0.02 0.00 2.33 2.43 -1.84 -0.86 114.38 116.50 1otx h ARG 217 Ca 0.04 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1otx h ARG 217 Cb 0.54 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1otx h ARG 217 CO 0.02 0.02 -0.22 1.96 -1.51 0.00 0.00 179.97 180.24 1otx h GLN 218 N 0.03 0.00 -0.17 0.20 4.20 -1.43 -1.19 115.11 116.74 1otx h GLN 218 Ca 0.08 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1otx h GLN 218 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1otx h GLN 218 CO -0.16 0.22 -0.35 1.15 -0.67 0.00 0.00 178.83 179.02 1otx h THR 219 N 0.00 1.35 -0.61 -0.54 2.02 -0.08 -2.72 112.91 112.31 1otx h THR 219 Ca -0.00 -1.60 -0.09 0.00 0.77 0.00 0.00 66.41 65.49 1otx h THR 219 Cb 0.48 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1otx h THR 219 CO 0.03 0.49 0.03 0.74 0.37 0.00 0.00 175.52 177.17 1otx h THR 220 N 0.18 1.27 -1.00 3.16 2.02 -0.75 -2.14 112.91 115.64 1otx h THR 220 Ca 0.00 -1.12 0.04 0.00 0.77 0.00 0.00 66.41 66.10 1otx h THR 220 Cb 0.95 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1otx h THR 220 CO 0.08 0.41 0.65 0.15 0.37 0.00 0.00 175.52 177.18 1otx h PHE 221 N 0.97 1.22 0.00 3.16 3.04 -1.24 -1.06 116.94 123.03 1otx h PHE 221 Ca 0.18 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.05 1otx h PHE 221 Cb 0.53 -0.41 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 1otx h PHE 221 CO 0.04 0.71 -0.52 -0.91 -2.02 0.00 0.00 178.31 175.61 1otx h ASN 222 N 1.26 0.00 0.17 0.41 -0.26 -1.18 -2.27 115.58 113.71 1otx h ASN 222 Ca 0.40 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.13 1otx h ASN 222 Cb -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1otx h ASN 222 CO -0.12 0.52 -0.08 0.44 -1.06 0.00 0.00 177.43 177.12 1otx h ASP 223 N 0.00 -0.20 -0.79 5.81 3.32 -0.58 -0.16 116.42 123.82 1otx h ASP 223 Ca -0.01 -0.11 0.17 0.00 0.02 0.00 0.00 57.03 57.10 1otx h ASP 223 Cb 0.92 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.41 1otx h ASP 223 CO 0.07 -0.01 0.30 -0.03 -1.72 0.00 0.00 179.24 177.85 1otx h MET 224 N -0.38 0.39 -0.74 3.56 1.85 -1.09 0.40 114.93 118.93 1otx h MET 224 Ca -0.02 -0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 58.99 1otx h MET 224 Cb 0.30 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.21 1otx h MET 224 CO 0.04 0.26 0.25 0.82 -0.40 0.00 0.00 176.91 177.87 1otx h ILE 225 N 0.40 1.26 -0.13 1.77 1.08 -0.97 -0.74 117.51 120.17 1otx h ILE 225 Ca 0.45 -0.88 -0.12 0.00 -0.39 0.00 0.00 64.86 63.93 1otx h ILE 225 Cb 0.75 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1otx h ILE 225 CO -0.46 0.35 -0.43 0.11 -0.69 0.00 0.00 178.15 177.02 1otx h LYS 226 N 1.08 0.32 -0.61 2.37 1.57 0.10 -0.13 116.57 121.27 1otx h LYS 226 Ca 0.24 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1otx h LYS 226 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1otx h LYS 226 CO -0.01 0.70 0.13 0.82 -0.57 0.00 0.00 179.45 180.52 1otx h ILE 227 N 0.26 1.26 0.14 1.86 2.04 0.16 0.23 117.51 123.46 1otx h ILE 227 Ca 0.02 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1otx h ILE 227 Cb 0.88 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1otx h ILE 227 CO 0.07 0.35 -0.07 0.00 0.00 0.00 0.00 178.15 178.51 1otx h ALA 228 N 1.04 -0.19 -0.13 1.87 0.00 -0.78 0.25 119.26 121.32 1otx h ALA 228 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1otx h ALA 228 Cb 0.38 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1otx h ALA 228 CO 0.01 -0.49 0.08 -0.07 0.00 0.00 0.00 179.25 178.78 1otx h LEU 229 N -0.43 0.15 -1.65 0.00 3.38 -0.92 -2.69 115.31 113.15 1otx h LEU 229 Ca -0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1otx h LEU 229 Cb 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1otx h LEU 229 CO 0.03 0.13 -0.15 -0.33 0.09 0.00 0.00 178.44 178.21 1otx h GLU 230 N 0.16 0.03 -0.08 1.13 4.39 -0.53 -2.54 114.58 117.13 1otx h GLU 230 Ca 0.05 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1otx h GLU 230 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1otx h GLU 230 CO -0.01 0.19 -0.26 0.66 -1.16 0.00 0.00 179.01 178.42 1otx h SER 231 N 0.03 0.13 0.21 1.42 4.64 -0.60 -2.01 113.55 117.37 1otx h SER 231 Ca 0.01 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.10 1otx h SER 231 Cb 0.29 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1otx h SER 231 CO 0.02 0.40 -0.75 -0.37 -0.87 0.00 0.00 176.83 175.26 1otx h VAL 232 N 0.12 1.37 -0.68 0.95 -1.51 -1.39 -0.97 116.25 114.14 1otx h VAL 232 Ca 0.02 -2.14 -0.02 0.00 -1.23 0.00 0.00 66.70 63.33 1otx h VAL 232 Cb 0.54 2.12 -0.03 0.00 -2.13 0.00 0.00 31.29 31.78 1otx h VAL 232 CO 0.04 0.65 0.34 -0.07 -1.23 0.00 0.00 177.57 177.29 1otx h LEU 233 N 0.31 0.86 -0.29 4.19 3.38 -1.37 -1.39 115.31 120.99 1otx h LEU 233 Ca -0.04 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1otx h LEU 233 Cb 1.34 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1otx h LEU 233 CO 0.13 0.72 -0.30 -0.07 0.09 0.00 0.00 178.44 179.02 1otx h LEU 234 N 0.96 0.77 -2.14 1.67 3.38 -1.18 -2.87 115.31 115.89 1otx h LEU 234 Ca 0.24 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1otx h LEU 234 Cb 0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1otx h LEU 234 CO -0.03 1.08 0.10 1.23 0.09 0.00 0.00 178.44 180.91 1otx h GLY 235 N 0.46 0.00 1.42 0.83 0.00 -0.61 -1.24 103.07 103.93 1otx h GLY 235 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.19 1otx h GLY 235 CO 0.07 0.00 -0.68 -0.55 0.00 0.00 0.00 176.54 175.39 1otx h ASP 236 N 0.00 0.68 -0.01 0.19 3.45 -1.05 -3.51 116.42 116.17 1otx h ASP 236 Ca 0.06 -0.42 0.00 0.00 0.43 0.00 0.00 57.03 57.10 1otx h ASP 236 Cb 0.25 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1otx h ASP 236 CO -0.00 1.17 0.00 0.29 -1.57 0.00 0.00 179.24 179.13