#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oty s THR 2 N 0.00 2.42 0.59 0.00 -4.23 -0.32 -4.97 115.64 109.13 1oty s THR 2 Ca 0.00 -0.96 0.29 0.00 -1.18 0.00 0.00 61.69 59.84 1oty s THR 2 Cb 0.00 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.73 1oty s THR 2 CO 0.00 0.00 2.19 -0.65 -0.54 0.00 0.00 174.62 175.62 1oty h PRO 3 N 0.26 0.00 0.00 3.99 0.11 -2.01 -3.08 132.00 131.27 1oty h PRO 3 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1oty h PRO 3 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1oty h PRO 3 CO 0.42 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.93 1oty n HIS 4 N -3.85 0.00 -3.60 0.65 8.25 -1.26 -4.97 115.22 110.43 1oty n HIS 4 Ca -0.01 -0.36 -0.21 0.00 -0.26 0.00 0.00 57.72 56.88 1oty n HIS 4 Cb 0.18 -0.04 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 1oty n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1oty s ILE 5 N -0.72 -0.19 -1.08 1.59 1.01 -1.17 -4.72 121.20 115.93 1oty s ILE 5 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.55 1oty s ILE 5 Cb 0.00 -0.48 0.19 0.00 0.01 0.00 0.00 42.46 42.18 1oty s ILE 5 CO 0.00 -0.11 1.22 0.21 0.00 0.00 0.00 174.94 176.25 1oty s ASN 6 N 2.22 7.00 0.32 3.58 3.04 -1.26 -1.17 114.94 128.66 1oty s ASN 6 Ca 0.04 -2.89 -0.05 0.00 0.04 0.00 0.00 52.86 49.99 1oty s ASN 6 Cb -0.15 -2.33 0.00 0.00 -1.54 0.00 0.00 41.25 37.23 1oty s ASN 6 CO -0.08 -0.69 0.47 0.00 -3.04 0.00 0.00 177.10 173.76 1oty s ALA 7 N 0.99 0.53 0.13 1.71 0.00 -1.26 -4.59 121.76 119.28 1oty s ALA 7 Ca 0.35 -1.37 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1oty s ALA 7 Cb -0.06 1.13 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 1oty s ALA 7 CO -0.05 -0.80 -0.18 -2.00 0.00 0.00 0.00 175.76 172.74 1oty s GLU 8 N -3.28 1.14 -0.16 0.00 2.56 -1.26 -1.54 118.70 116.15 1oty s GLU 8 Ca 0.29 -1.27 -0.39 0.00 0.00 0.00 0.00 54.97 53.60 1oty s GLU 8 Cb -0.00 -1.20 -0.16 0.00 2.00 0.00 0.00 34.13 34.77 1oty s GLU 8 CO 0.17 0.25 1.64 -0.12 -0.56 0.00 0.00 175.26 176.64 1oty n MET 9 N 0.63 1.21 0.00 4.30 0.00 -1.26 -0.63 117.12 121.38 1oty n MET 9 Ca -0.16 0.44 0.00 0.00 -0.00 0.00 0.00 57.70 57.98 1oty n MET 9 Cb 0.56 -2.12 0.00 0.00 0.00 0.00 0.00 33.22 31.65 1oty n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1oty n GLY 10 N 3.74 2.06 0.22 -5.12 0.00 -1.26 -4.94 105.19 99.89 1oty n GLY 10 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1oty n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oty h ASP 11 N 0.50 0.00 -3.30 1.61 3.32 -1.24 -3.43 116.42 113.88 1oty h ASP 11 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1oty h ASP 11 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1oty h ASP 11 CO 0.00 0.24 -0.64 -0.36 -1.72 0.00 0.00 179.24 176.76 1oty s PHE 12 N -3.88 3.07 1.09 4.55 0.40 -1.26 -4.73 117.98 117.23 1oty s PHE 12 Ca -0.01 0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 56.18 1oty s PHE 12 Cb 0.12 -1.60 0.24 0.00 0.51 0.00 0.00 43.02 42.29 1oty s PHE 12 CO 0.64 0.49 1.19 0.00 0.70 0.00 0.00 175.22 178.24 1oty s ALA 13 N -1.27 1.30 -1.93 5.36 0.00 -1.26 -4.93 121.76 119.02 1oty s ALA 13 Ca 0.25 -1.02 0.30 0.00 0.00 0.00 0.00 51.96 51.49 1oty s ALA 13 Cb -0.12 -2.85 1.39 0.00 0.00 0.00 0.00 23.12 21.54 1oty s ALA 13 CO 0.17 -3.07 1.94 -0.40 0.00 0.00 0.00 175.76 174.41 1oty n ASP 14 N -4.32 0.55 -4.08 0.00 5.68 -1.26 -4.56 116.55 108.56 1oty n ASP 14 Ca 0.13 -0.89 -0.22 0.00 -0.50 0.00 0.00 54.79 53.31 1oty n ASP 14 Cb 0.59 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.38 1oty n ASP 14 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1oty s VAL 15 N -2.24 1.06 -0.07 2.12 -7.23 -1.26 0.41 120.40 113.20 1oty s VAL 15 Ca 0.36 -0.55 -0.00 0.00 -1.81 0.00 0.00 61.98 59.98 1oty s VAL 15 Cb 0.21 -0.90 0.03 0.00 0.56 0.00 0.00 36.38 36.28 1oty s VAL 15 CO 0.41 0.31 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.80 1oty s VAL 16 N -0.13 0.49 0.17 1.32 1.01 0.19 -2.75 120.40 120.69 1oty s VAL 16 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 1oty s VAL 16 Cb -0.07 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 1oty s VAL 16 CO 0.00 0.26 0.79 -0.76 0.00 0.00 0.00 175.10 175.38 1oty s LEU 17 N 1.57 4.59 -0.12 3.92 1.02 0.59 -1.05 118.68 129.21 1oty s LEU 17 Ca -0.01 1.66 -0.04 0.00 0.02 0.00 0.00 54.13 55.77 1oty s LEU 17 Cb -0.13 -3.32 0.05 0.00 0.02 0.00 0.00 46.19 42.81 1oty s LEU 17 CO -0.04 0.20 0.08 -0.04 0.02 0.00 0.00 176.35 176.57 1oty s MET 18 N -1.17 0.01 0.42 1.70 -1.94 0.63 -1.85 119.30 117.11 1oty s MET 18 Ca 0.36 0.11 0.04 0.00 -1.71 0.00 0.00 55.69 54.49 1oty s MET 18 Cb -0.23 -1.28 0.00 0.00 2.01 0.00 0.00 34.83 35.33 1oty s MET 18 CO 0.26 -0.53 0.60 -1.25 -0.01 0.00 0.00 175.02 174.10 1oty s PRO 19 N 2.15 2.94 -0.00 2.03 0.04 -1.25 -0.99 135.00 139.91 1oty s PRO 19 Ca 0.03 -0.87 -0.23 0.00 0.04 0.00 0.00 61.00 59.97 1oty s PRO 19 Cb -0.14 -2.67 -0.18 0.00 0.04 0.00 0.00 34.50 31.54 1oty s PRO 19 CO -0.06 -0.24 1.26 0.78 0.04 0.00 0.00 177.00 178.77 1oty h GLY 20 N 0.55 0.18 -4.95 0.56 0.00 -1.83 -1.27 103.07 96.31 1oty h GLY 20 Ca -0.44 -0.20 -0.56 0.00 0.00 0.00 0.00 47.33 46.12 1oty h GLY 20 CO 0.52 0.18 0.77 -0.35 0.00 0.00 0.00 176.54 177.67 1oty s ASP 21 N -5.96 7.04 0.39 0.19 2.15 -1.26 -1.82 116.67 117.40 1oty s ASP 21 Ca -0.15 1.68 0.06 0.00 0.43 0.00 0.00 52.55 54.57 1oty s ASP 21 Cb 0.03 -2.55 0.79 0.00 -0.30 0.00 0.00 42.92 40.89 1oty s ASP 21 CO 0.72 -0.65 2.03 -0.65 -0.17 0.00 0.00 175.17 176.45 1oty h PRO 22 N 7.69 0.64 0.00 4.34 0.11 -1.88 -1.41 132.00 141.50 1oty h PRO 22 Ca -0.29 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 1oty h PRO 22 Cb 1.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1oty h PRO 22 CO 0.92 0.42 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.87 1oty h LEU 23 N 0.66 0.00 -0.29 2.35 3.38 -1.92 -2.20 115.31 117.30 1oty h LEU 23 Ca 0.20 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 1oty h LEU 23 Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1oty h LEU 23 CO -0.05 0.19 -0.82 0.03 0.09 0.00 0.00 178.44 177.88 1oty h ARG 24 N 0.00 0.44 -0.83 1.13 2.47 -1.66 -2.29 114.38 113.64 1oty h ARG 24 Ca -0.00 -0.41 0.02 0.00 -1.26 0.00 0.00 59.98 58.33 1oty h ARG 24 Cb 0.43 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 1oty h ARG 24 CO 0.03 1.05 0.55 0.00 0.56 0.00 0.00 179.97 182.15 1oty h ALA 25 N 0.82 1.07 0.03 0.04 0.00 -1.25 0.12 119.26 120.09 1oty h ALA 25 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1oty h ALA 25 Cb 1.43 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1oty h ALA 25 CO 0.14 0.43 -0.01 -0.22 0.00 0.00 0.00 179.25 179.59 1oty h LYS 26 N 1.10 -0.04 -0.84 0.00 3.64 -1.39 -0.85 116.57 118.20 1oty h LYS 26 Ca 0.31 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1oty h LYS 26 Cb -0.09 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1oty h LYS 26 CO -0.08 0.10 0.55 -0.92 -2.27 0.00 0.00 179.45 176.83 1oty h TYR 27 N -0.17 0.94 -0.44 1.91 5.03 -0.99 -0.88 116.97 122.36 1oty h TYR 27 Ca -0.00 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.22 1oty h TYR 27 Cb 0.16 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.12 1oty h TYR 27 CO -0.03 0.49 -0.16 0.82 -1.32 0.00 0.00 178.16 177.96 1oty h ILE 28 N 0.92 1.27 -0.45 1.81 2.04 -0.62 0.86 117.51 123.34 1oty h ILE 28 Ca 0.36 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1oty h ILE 28 Cb 0.23 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1oty h ILE 28 CO -0.13 0.44 0.24 0.00 0.00 0.00 0.00 178.15 178.70 1oty h ALA 29 N 0.85 0.58 -0.26 1.87 0.00 -0.31 0.36 119.26 122.35 1oty h ALA 29 Ca 0.11 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1oty h ALA 29 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1oty h ALA 29 CO 0.05 0.12 -0.45 0.93 0.00 0.00 0.00 179.25 179.90 1oty h GLU 30 N 0.59 0.67 0.20 0.00 5.08 -1.08 -2.17 114.58 117.86 1oty h GLU 30 Ca 0.16 -0.37 -0.32 0.00 -1.00 0.00 0.00 59.36 57.83 1oty h GLU 30 Cb 0.08 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.37 1oty h GLU 30 CO -0.02 0.98 -1.52 1.15 -1.00 0.00 0.00 179.01 178.59 1oty h THR 31 N 0.53 1.13 0.00 1.13 2.02 -0.68 -3.41 112.91 113.63 1oty h THR 31 Ca 0.03 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1oty h THR 31 Cb 0.99 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.31 1oty h THR 31 CO 0.09 0.81 -0.61 0.49 0.37 0.00 0.00 175.52 176.67 1oty n PHE 32 N -3.73 0.00 -4.37 3.16 3.01 0.10 -5.03 117.46 110.60 1oty n PHE 32 Ca -0.21 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.92 1oty n PHE 32 Cb 1.04 -0.04 -0.09 0.00 -0.01 0.00 0.00 39.48 40.38 1oty n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1oty s LEU 33 N -2.66 3.44 -0.08 4.37 1.43 -0.82 -4.66 118.68 119.71 1oty s LEU 33 Ca 0.02 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1oty s LEU 33 Cb 0.06 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1oty s LEU 33 CO 0.33 0.31 0.14 -1.61 0.23 0.00 0.00 176.35 175.75 1oty s GLU 34 N -1.30 3.39 -1.32 1.70 2.02 -0.07 -4.27 118.70 118.85 1oty s GLU 34 Ca 0.17 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.92 1oty s GLU 34 Cb -0.11 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1oty s GLU 34 CO 0.07 0.73 0.11 -0.25 0.02 0.00 0.00 175.26 175.95 1oty n ASP 35 N 1.61 -4.83 -4.63 -0.19 9.92 -1.26 -1.61 116.55 115.55 1oty n ASP 35 Ca -0.17 -0.06 -0.50 0.00 -0.53 0.00 0.00 54.79 53.53 1oty n ASP 35 Cb 0.54 -3.89 -0.05 0.00 -0.64 0.00 0.00 41.12 37.08 1oty n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1oty n ALA 36 N -2.10 0.08 -3.75 2.24 0.00 -1.26 -4.58 120.51 111.15 1oty n ALA 36 Ca -0.16 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.52 1oty n ALA 36 Cb 0.63 -2.21 -0.17 0.00 0.00 0.00 0.00 19.45 17.70 1oty n ALA 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1oty s ARG 37 N 1.03 0.77 -0.04 0.00 3.52 -0.64 -4.97 118.95 118.62 1oty s ARG 37 Ca 0.84 0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 56.15 1oty s ARG 37 Cb -0.84 -1.01 -0.05 0.00 -1.56 0.00 0.00 34.95 31.49 1oty s ARG 37 CO 0.45 -0.24 1.48 -2.00 -0.81 0.00 0.00 175.30 174.18 1oty s GLU 38 N 1.66 4.23 0.00 5.12 2.12 -1.26 -1.33 118.70 129.24 1oty s GLU 38 Ca 0.01 2.02 0.11 0.00 0.36 0.00 0.00 54.97 57.46 1oty s GLU 38 Cb -0.13 -3.74 0.06 0.00 0.26 0.00 0.00 34.13 30.58 1oty s GLU 38 CO -0.04 -0.70 0.79 1.33 -0.54 0.00 0.00 175.26 176.10 1oty n VAL 39 N 5.05 0.00 -3.62 3.70 0.24 0.25 -4.97 118.33 118.98 1oty n VAL 39 Ca 0.15 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 1oty n VAL 39 Cb 0.43 1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.94 1oty n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1oty s ASN 40 N -1.05 -0.48 0.00 -1.34 2.47 -1.17 -4.31 114.94 109.06 1oty s ASN 40 Ca 0.12 0.84 0.00 0.00 0.42 0.00 0.00 52.86 54.23 1oty s ASN 40 Cb 0.09 0.82 0.00 0.00 -1.45 0.00 0.00 41.25 40.71 1oty s ASN 40 CO 0.17 -0.23 0.39 -0.46 -3.72 0.00 0.00 177.10 173.26 1oty n ASN 41 N 1.90 0.00 -4.71 -4.21 6.94 -1.26 -0.63 115.26 113.29 1oty n ASN 41 Ca -0.13 -1.00 -0.43 0.00 -0.02 0.00 0.00 54.58 53.00 1oty n ASN 41 Cb 0.56 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 1oty n ASN 41 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1oty n VAL 42 N 0.00 0.65 -1.50 3.53 0.31 -1.26 -0.40 118.33 119.66 1oty n VAL 42 Ca 0.00 -0.16 -0.17 0.00 -0.01 0.00 0.00 64.34 63.99 1oty n VAL 42 Cb 0.50 -1.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 1oty n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1oty n ARG 43 N 2.66 -1.38 -1.06 5.55 1.74 -1.26 -1.01 116.66 121.89 1oty n ARG 43 Ca 0.12 1.02 -0.02 0.00 -0.77 0.00 0.00 57.85 58.20 1oty n ARG 43 Cb 0.34 -5.34 -0.01 0.00 -1.02 0.00 0.00 32.46 26.42 1oty n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1oty n GLY 44 N -0.32 0.44 2.94 -0.13 0.00 0.47 -4.91 105.19 103.69 1oty n GLY 44 Ca -0.17 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1oty n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1oty n MET 45 N -1.33 3.26 -1.61 1.61 0.00 -0.18 -4.83 117.12 114.04 1oty n MET 45 Ca -0.02 -3.18 -0.58 0.00 0.00 0.00 0.00 57.70 53.92 1oty n MET 45 Cb 0.27 -3.13 -0.07 0.00 0.00 0.00 0.00 33.22 30.29 1oty n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1oty n LEU 46 N 5.34 1.23 -4.14 -0.89 4.77 -1.25 -4.41 117.00 117.64 1oty n LEU 46 Ca 0.45 1.13 -0.26 0.00 -0.03 0.00 0.00 56.01 57.30 1oty n LEU 46 Cb 0.39 -1.05 -0.16 0.00 -2.33 0.00 0.00 43.42 40.27 1oty n LEU 46 CO 0.83 -1.15 -0.51 -0.83 -1.33 0.00 0.00 177.39 174.40 1oty s GLY 47 N 1.31 0.94 0.10 -0.72 0.00 0.20 -2.99 107.32 106.16 1oty s GLY 47 Ca 0.92 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.98 1oty s GLY 47 CO 0.59 -0.39 -0.14 -1.36 0.00 0.00 0.00 173.10 171.80 1oty s PHE 48 N 0.00 1.34 -0.03 1.90 0.08 0.18 0.84 117.98 122.29 1oty s PHE 48 Ca -0.03 -0.51 -0.00 0.00 0.12 0.00 0.00 56.93 56.50 1oty s PHE 48 Cb -0.11 -0.72 0.03 0.00 -0.57 0.00 0.00 43.02 41.64 1oty s PHE 48 CO 0.02 0.11 0.02 0.99 -0.10 0.00 0.00 175.22 176.26 1oty s THR 49 N -1.74 0.08 0.00 0.64 2.01 -0.45 0.25 115.64 116.44 1oty s THR 49 Ca 0.04 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1oty s THR 49 Cb -0.07 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1oty s THR 49 CO 0.03 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1oty n GLY 50 N 4.42 4.69 2.96 4.40 0.00 0.54 -1.62 105.19 120.58 1oty n GLY 50 Ca -0.22 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 1oty n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oty s THR 51 N 0.89 0.04 -0.21 2.61 2.01 -0.64 -1.82 115.64 118.53 1oty s THR 51 Ca 0.00 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 1oty s THR 51 Cb 0.00 -0.17 0.06 0.00 0.01 0.00 0.00 72.50 72.40 1oty s THR 51 CO 0.00 -0.18 0.01 -0.47 -0.69 0.00 0.00 174.62 173.29 1oty s TYR 52 N -0.54 1.44 -1.58 4.92 6.14 0.40 -0.89 117.35 127.24 1oty s TYR 52 Ca -0.06 -1.14 -0.15 0.00 0.64 0.00 0.00 57.07 56.36 1oty s TYR 52 Cb -0.04 -1.20 0.11 0.00 0.42 0.00 0.00 41.96 41.25 1oty s TYR 52 CO -0.00 -0.66 0.94 1.63 0.64 0.00 0.00 175.55 178.09 1oty n LYS 53 N 4.94 -4.91 0.00 4.97 5.02 -1.26 -1.01 118.16 125.91 1oty n LYS 53 Ca -0.10 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1oty n LYS 53 Cb 0.46 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 1oty n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oty n GLY 54 N -1.61 3.27 3.74 0.72 0.00 -1.26 -5.04 105.19 105.00 1oty n GLY 54 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1oty n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oty s ARG 55 N -0.58 4.49 0.02 1.61 0.52 -0.18 -5.00 118.95 119.84 1oty s ARG 55 Ca 0.00 1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 1oty s ARG 55 Cb 0.00 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 32.05 1oty s ARG 55 CO 0.00 0.28 1.35 0.21 0.02 0.00 0.00 175.30 177.16 1oty s LYS 56 N -0.05 4.32 0.03 3.54 2.20 -1.26 -0.45 119.74 128.07 1oty s LYS 56 Ca 0.38 1.92 0.01 0.00 -0.36 0.00 0.00 55.97 57.93 1oty s LYS 56 Cb -0.20 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1oty s LYS 56 CO 0.23 -0.50 -0.05 0.42 -0.36 0.00 0.00 175.35 175.09 1oty s ILE 57 N 2.00 0.30 0.10 5.43 -1.09 -0.76 -4.70 121.20 122.49 1oty s ILE 57 Ca 0.62 -1.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.07 1oty s ILE 57 Cb -0.31 -0.49 -0.03 0.00 -1.58 0.00 0.00 42.46 40.04 1oty s ILE 57 CO 0.27 -0.49 -0.18 -0.44 -1.23 0.00 0.00 174.94 172.87 1oty s SER 58 N -1.61 2.24 -0.07 3.58 0.01 -1.11 -0.34 113.70 116.40 1oty s SER 58 Ca -0.12 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 1oty s SER 58 Cb -0.09 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.08 1oty s SER 58 CO -0.01 -0.01 0.15 0.54 0.41 0.00 0.00 173.24 174.32 1oty s VAL 59 N -1.37 -0.16 -0.12 3.43 0.11 0.14 -0.30 120.40 122.12 1oty s VAL 59 Ca 0.05 0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 59.27 1oty s VAL 59 Cb -0.09 -0.26 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1oty s VAL 59 CO 0.04 0.12 0.33 -0.32 -3.33 0.00 0.00 175.10 171.93 1oty s MET 60 N 1.79 0.38 0.73 1.54 0.00 -0.77 0.51 119.30 123.47 1oty s MET 60 Ca -0.02 0.47 -0.13 0.00 0.00 0.00 0.00 55.69 56.01 1oty s MET 60 Cb -0.12 0.17 0.04 0.00 0.00 0.00 0.00 34.83 34.92 1oty s MET 60 CO -0.06 -0.05 1.11 0.20 0.00 0.00 0.00 175.02 176.22 1oty s GLY 61 N 0.25 1.95 0.00 2.11 0.00 -1.16 -3.84 107.32 106.63 1oty s GLY 61 Ca -0.01 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.19 1oty s GLY 61 CO -0.00 0.83 0.64 -2.39 0.00 0.00 0.00 173.10 172.18 1oty n HIS 62 N -3.01 0.00 -1.84 1.90 1.44 -0.48 -4.91 115.22 108.33 1oty n HIS 62 Ca 0.10 -0.14 0.01 0.00 -2.01 0.00 0.00 57.72 55.69 1oty n HIS 62 Cb 0.52 -0.01 -0.00 0.00 0.12 0.00 0.00 29.99 30.62 1oty n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1oty n GLY 63 N -0.14 -2.13 3.67 -1.39 0.00 -0.75 -2.77 105.19 101.69 1oty n GLY 63 Ca 0.00 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 1oty n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1oty s MET 64 N -0.65 3.73 0.00 1.61 1.00 -1.26 -4.65 119.30 119.08 1oty s MET 64 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 55.69 55.36 1oty s MET 64 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 34.83 31.70 1oty s MET 64 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 175.02 175.85 1oty n GLY 65 N 3.08 1.43 0.23 -0.03 0.00 -1.23 -4.44 105.19 104.23 1oty n GLY 65 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1oty n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1oty h ILE 66 N 0.00 0.74 -0.43 -0.61 2.04 -1.66 -2.10 117.51 115.49 1oty h ILE 66 Ca 0.00 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1oty h ILE 66 Cb 0.00 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1oty h ILE 66 CO 0.00 0.07 0.29 -0.65 0.00 0.00 0.00 178.15 177.85 1oty h PRO 67 N 0.37 0.53 0.23 2.37 0.11 -1.90 -0.91 132.00 132.80 1oty h PRO 67 Ca 0.31 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1oty h PRO 67 Cb 0.40 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1oty h PRO 67 CO -0.33 0.35 -0.11 1.03 -0.21 0.00 0.00 178.00 178.73 1oty h SER 68 N 0.55 -0.26 0.49 -2.05 0.87 -1.61 -3.13 113.55 108.42 1oty h SER 68 Ca 0.16 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1oty h SER 68 Cb -0.01 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1oty h SER 68 CO -0.04 0.24 -0.29 0.00 -0.53 0.00 0.00 176.83 176.21 1oty h SER 70 N 0.00 1.06 0.56 0.00 0.02 -1.24 0.15 113.55 114.10 1oty h SER 70 Ca -0.00 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1oty h SER 70 Cb 0.62 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.89 1oty h SER 70 CO 0.04 0.92 -0.27 0.40 -1.14 0.00 0.00 176.83 176.78 1oty h ILE 71 N 1.14 0.41 -0.35 3.27 2.04 -1.41 -2.12 117.51 120.49 1oty h ILE 71 Ca 0.27 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1oty h ILE 71 Cb 0.17 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1oty h ILE 71 CO -0.03 0.03 0.17 1.88 0.00 0.00 0.00 178.15 180.20 1oty h TYR 72 N -0.89 0.50 -0.49 1.37 0.05 -1.39 -1.50 116.97 114.63 1oty h TYR 72 Ca -0.08 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.64 1oty h TYR 72 Cb 0.62 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1oty h TYR 72 CO -0.01 0.43 0.15 1.79 -1.05 0.00 0.00 178.16 179.47 1oty h THR 73 N 0.43 1.20 -0.02 -2.88 1.35 -0.78 -1.23 112.91 110.98 1oty h THR 73 Ca 0.12 -0.68 -0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1oty h THR 73 Cb 0.11 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1oty h THR 73 CO -0.02 0.26 -0.00 0.50 -0.25 0.00 0.00 175.52 176.01 1oty h LYS 74 N 0.71 0.03 -0.61 4.72 3.11 -1.09 -1.96 116.57 121.48 1oty h LYS 74 Ca 0.17 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.96 1oty h LYS 74 Cb 0.21 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 1oty h LYS 74 CO -0.01 0.34 0.23 0.93 -2.81 0.00 0.00 179.45 178.13 1oty h GLU 75 N -0.29 0.89 -0.40 1.90 5.08 -1.05 -0.34 114.58 120.39 1oty h GLU 75 Ca 0.00 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1oty h GLU 75 Cb 0.33 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1oty h GLU 75 CO 0.00 0.74 0.09 -0.07 -1.00 0.00 0.00 179.01 178.77 1oty h LEU 76 N 0.88 0.61 -0.30 1.33 3.38 -1.18 -0.90 115.31 119.12 1oty h LEU 76 Ca 0.21 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1oty h LEU 76 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1oty h LEU 76 CO -0.02 0.69 -0.13 0.40 0.09 0.00 0.00 178.44 179.47 1oty h ILE 77 N 0.50 1.29 0.00 1.22 2.04 -1.04 -2.05 117.51 119.46 1oty h ILE 77 Ca 0.12 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1oty h ILE 77 Cb 0.32 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1oty h ILE 77 CO 0.00 0.39 -0.74 0.71 0.00 0.00 0.00 178.15 178.51 1oty h THR 78 N 0.38 0.00 0.00 -0.27 1.35 -1.06 -3.36 112.91 109.95 1oty h THR 78 Ca 0.07 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1oty h THR 78 Cb 0.65 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1oty h THR 78 CO 0.04 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.78 1oty n ASP 79 N -2.75 0.30 -0.26 5.36 9.92 -0.35 -4.77 116.55 124.00 1oty n ASP 79 Ca 0.01 -0.64 0.06 0.00 -0.53 0.00 0.00 54.79 53.69 1oty n ASP 79 Cb 0.54 0.64 0.08 0.00 -0.64 0.00 0.00 41.12 41.73 1oty n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1oty n PHE 80 N -0.64 0.00 -1.80 1.24 3.01 -0.81 -4.37 117.46 114.09 1oty n PHE 80 Ca 0.00 -0.55 -0.16 0.00 1.01 0.00 0.00 57.45 57.75 1oty n PHE 80 Cb 0.01 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.32 1oty n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oty n GLY 81 N -0.80 0.82 3.70 1.37 0.00 -1.20 -4.66 105.19 104.41 1oty n GLY 81 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1oty n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oty s VAL 82 N -2.50 3.55 -0.21 1.61 1.01 -1.00 -4.67 120.40 118.20 1oty s VAL 82 Ca 0.00 1.00 0.10 0.00 0.00 0.00 0.00 61.98 63.09 1oty s VAL 82 Cb 0.00 -3.64 -0.22 0.00 0.00 0.00 0.00 36.38 32.52 1oty s VAL 82 CO 0.00 0.02 0.02 0.29 0.00 0.00 0.00 175.10 175.43 1oty n LYS 83 N 4.98 0.67 -4.47 2.72 4.76 0.17 -4.44 118.16 122.55 1oty n LYS 83 Ca 0.13 0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.43 1oty n LYS 83 Cb 0.43 -1.55 -0.16 0.00 -1.84 0.00 0.00 35.03 31.91 1oty n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1oty s LYS 84 N -2.51 1.21 -0.09 1.97 1.02 -0.20 -1.79 119.74 119.35 1oty s LYS 84 Ca -0.19 -0.35 0.03 0.00 0.02 0.00 0.00 55.97 55.47 1oty s LYS 84 Cb 0.07 -1.09 -0.01 0.00 -0.52 0.00 0.00 37.83 36.28 1oty s LYS 84 CO 0.74 0.09 -0.18 0.42 -0.92 0.00 0.00 175.35 175.50 1oty s ILE 85 N 0.34 2.63 -0.26 2.17 -1.09 -0.57 -0.64 121.20 123.78 1oty s ILE 85 Ca -0.06 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 1oty s ILE 85 Cb -0.11 -2.04 0.07 0.00 -1.58 0.00 0.00 42.46 38.80 1oty s ILE 85 CO 0.01 0.55 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.62 1oty s ILE 86 N 0.04 1.59 0.02 2.92 1.01 -0.22 -1.77 121.20 124.79 1oty s ILE 86 Ca -0.07 -1.41 -0.30 0.00 0.00 0.00 0.00 60.65 58.87 1oty s ILE 86 Cb -0.15 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1oty s ILE 86 CO 0.05 -0.23 0.99 -0.60 0.00 0.00 0.00 174.94 175.15 1oty s ARG 87 N 1.34 4.57 -0.31 2.79 3.52 0.44 -0.27 118.95 131.05 1oty s ARG 87 Ca -0.02 1.45 0.01 0.00 -0.13 0.00 0.00 55.73 57.04 1oty s ARG 87 Cb -0.19 -3.44 0.09 0.00 -1.56 0.00 0.00 34.95 29.86 1oty s ARG 87 CO -0.08 -0.02 0.05 0.14 -0.81 0.00 0.00 175.30 174.58 1oty s VAL 88 N 0.84 1.56 0.00 7.11 -7.23 -0.16 0.30 120.40 122.82 1oty s VAL 88 Ca 0.52 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 1oty s VAL 88 Cb -0.22 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1oty s VAL 88 CO 0.28 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1oty n GLY 89 N 4.58 4.34 3.72 2.32 0.00 -0.60 -3.95 105.19 115.60 1oty n GLY 89 Ca -0.02 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 1oty n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oty s SER 90 N 0.50 4.98 0.03 1.61 1.04 -1.26 -0.04 113.70 120.56 1oty s SER 90 Ca 0.00 -0.42 -0.13 0.00 0.48 0.00 0.00 55.95 55.88 1oty s SER 90 Cb 0.00 -1.11 0.02 0.00 0.10 0.00 0.00 66.02 65.03 1oty s SER 90 CO 0.00 0.02 0.29 0.00 0.98 0.00 0.00 173.24 174.53 1oty s GLY 92 N -1.94 2.31 0.13 0.00 0.00 0.10 -1.30 107.32 106.61 1oty s GLY 92 Ca -0.07 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.31 1oty s GLY 92 CO -0.02 -0.22 0.13 0.00 0.00 0.00 0.00 173.10 172.99 1oty s ALA 93 N -1.59 3.61 0.00 3.20 0.00 0.63 0.14 121.76 127.74 1oty s ALA 93 Ca 0.40 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1oty s ALA 93 Cb -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1oty s ALA 93 CO 0.21 0.60 0.00 0.28 0.00 0.00 0.00 175.76 176.85 1oty n VAL 94 N -0.06 0.00 -3.07 0.00 0.31 -1.26 -1.34 118.33 112.90 1oty n VAL 94 Ca -0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.85 1oty n VAL 94 Cb 0.53 0.42 -0.05 0.00 -0.91 0.00 0.00 33.84 33.84 1oty n VAL 94 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1oty s LEU 95 N -2.66 4.26 0.39 7.52 1.43 -1.26 -4.80 118.68 123.56 1oty s LEU 95 Ca 0.00 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.23 1oty s LEU 95 Cb 0.00 -3.01 0.80 0.00 0.03 0.00 0.00 46.19 44.00 1oty s LEU 95 CO 0.00 -0.17 2.03 -0.65 0.23 0.00 0.00 176.35 177.79 1oty h PRO 96 N 6.98 0.63 0.00 1.29 0.11 -1.98 -1.97 132.00 137.06 1oty h PRO 96 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1oty h PRO 96 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1oty h PRO 96 CO 0.77 0.42 0.00 -2.39 -0.21 0.00 0.00 178.00 176.59 1oty n HIS 97 N -4.46 0.00 -3.22 0.65 1.44 -1.26 -4.49 115.22 103.88 1oty n HIS 97 Ca 0.05 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.33 1oty n HIS 97 Cb 0.09 -0.42 -0.07 0.00 0.12 0.00 0.00 29.99 29.71 1oty n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1oty s VAL 98 N -2.83 4.96 0.47 0.61 1.01 -0.74 -5.06 120.40 118.82 1oty s VAL 98 Ca 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1oty s VAL 98 Cb 0.15 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1oty s VAL 98 CO 0.39 -0.60 0.68 -1.59 0.00 0.00 0.00 175.10 173.99 1oty s LYS 99 N 2.44 2.95 0.71 2.72 0.00 -1.26 -4.82 119.74 122.48 1oty s LYS 99 Ca 0.15 -0.58 -0.16 0.00 0.00 0.00 0.00 55.97 55.38 1oty s LYS 99 Cb -0.17 -2.56 -0.01 0.00 0.00 0.00 0.00 37.83 35.09 1oty s LYS 99 CO 0.14 -0.35 0.86 1.28 0.00 0.00 0.00 175.35 177.28 1oty n LEU 100 N -2.12 2.90 0.00 2.77 4.32 -1.26 -2.16 117.00 121.46 1oty n LEU 100 Ca 0.03 0.66 0.00 0.00 -0.02 0.00 0.00 56.01 56.68 1oty n LEU 100 Cb 0.58 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 1oty n LEU 100 CO 0.47 -2.27 0.00 0.54 -1.22 0.00 0.00 177.39 174.90 1oty n ARG 101 N -1.51 0.00 -1.80 3.23 1.74 0.65 -4.95 116.66 114.02 1oty n ARG 101 Ca 0.12 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.83 1oty n ARG 101 Cb 0.49 -3.19 0.05 0.00 -1.02 0.00 0.00 32.46 28.80 1oty n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1oty s ASP 102 N -2.71 4.91 -0.20 0.55 1.11 -0.92 -4.59 116.67 114.83 1oty s ASP 102 Ca 0.00 2.64 -0.07 0.00 0.18 0.00 0.00 52.55 55.30 1oty s ASP 102 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1oty s ASP 102 CO 0.00 -1.80 0.06 -0.69 1.18 0.00 0.00 175.17 173.92 1oty s VAL 103 N -1.39 4.61 -0.06 -1.27 1.01 -1.26 -0.93 120.40 121.12 1oty s VAL 103 Ca 0.78 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.73 1oty s VAL 103 Cb -0.38 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1oty s VAL 103 CO 0.41 0.42 -0.24 0.68 0.00 0.00 0.00 175.10 176.37 1oty s VAL 104 N 0.78 2.12 -0.27 2.92 -7.23 0.59 -1.05 120.40 118.26 1oty s VAL 104 Ca 0.03 -1.04 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 1oty s VAL 104 Cb -0.14 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1oty s VAL 104 CO 0.02 0.57 0.10 -0.63 -0.31 0.00 0.00 175.10 174.85 1oty s ILE 105 N -0.13 4.43 -1.00 -0.62 -1.09 0.17 -0.71 121.20 122.25 1oty s ILE 105 Ca -0.05 -0.28 -0.22 0.00 -2.23 0.00 0.00 60.65 57.88 1oty s ILE 105 Cb -0.14 -3.15 0.07 0.00 -1.58 0.00 0.00 42.46 37.66 1oty s ILE 105 CO 0.04 0.23 1.37 -0.83 -1.23 0.00 0.00 174.94 174.52 1oty s GLY 106 N 1.61 1.45 0.26 6.18 0.00 -0.35 -1.71 107.32 114.75 1oty s GLY 106 Ca 0.06 -2.41 -0.00 0.00 0.00 0.00 0.00 44.72 42.36 1oty s GLY 106 CO 0.05 2.51 1.69 1.98 0.00 0.00 0.00 173.10 179.33 1oty h MET 107 N 9.50 0.61 -4.66 2.90 4.05 -1.36 -3.39 114.93 122.57 1oty h MET 107 Ca 0.19 -0.23 -0.25 0.00 -0.28 0.00 0.00 59.70 59.13 1oty h MET 107 Cb 1.01 -0.04 -0.15 0.00 -0.80 0.00 0.00 31.60 31.63 1oty h MET 107 CO 1.35 0.79 -0.66 0.20 0.23 0.00 0.00 176.91 178.82 1oty s GLY 108 N -3.93 1.15 -0.09 1.39 0.00 -1.09 -0.58 107.32 104.17 1oty s GLY 108 Ca -0.08 -1.56 -0.03 0.00 0.00 0.00 0.00 44.72 43.05 1oty s GLY 108 CO 0.81 -1.47 0.12 0.00 0.00 0.00 0.00 173.10 172.56 1oty s ALA 109 N -3.81 0.03 0.62 3.20 0.00 0.81 -1.69 121.76 120.93 1oty s ALA 109 Ca 0.24 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 1oty s ALA 109 Cb 0.07 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1oty s ALA 109 CO 0.03 -0.65 0.94 0.00 0.00 0.00 0.00 175.76 176.08 1oty s THR 111 N -3.07 0.00 -0.77 0.00 -1.32 -1.26 0.65 115.64 109.87 1oty s THR 111 Ca 0.56 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.12 1oty s THR 111 Cb -0.11 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.13 1oty s THR 111 CO 0.45 0.00 1.19 -0.90 -2.21 0.00 0.00 174.62 173.16 1oty n ASP 112 N -0.24 2.72 -4.86 8.08 3.85 -1.18 -4.97 116.55 119.95 1oty n ASP 112 Ca -0.11 -1.98 -0.31 0.00 -0.71 0.00 0.00 54.79 51.68 1oty n ASP 112 Cb 0.62 -0.18 0.01 0.00 -1.35 0.00 0.00 41.12 40.22 1oty n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1oty s SER 113 N -0.99 6.09 0.00 -1.12 0.15 -1.26 -4.88 113.70 111.69 1oty s SER 113 Ca 0.19 1.49 0.21 0.00 0.70 0.00 0.00 55.95 58.53 1oty s SER 113 Cb 0.10 -2.48 0.06 0.00 -1.71 0.00 0.00 66.02 61.98 1oty s SER 113 CO 0.13 -0.96 1.07 1.17 1.20 0.00 0.00 173.24 175.85 1oty n LYS 114 N -2.68 1.61 -0.17 5.44 4.81 -1.26 -4.65 118.16 121.26 1oty n LYS 114 Ca 0.06 -1.25 -0.02 0.00 -0.87 0.00 0.00 58.31 56.24 1oty n LYS 114 Cb 0.54 -1.41 0.08 0.00 0.02 0.00 0.00 35.03 34.26 1oty n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1oty h VAL 115 N 2.96 0.68 -0.03 3.15 -1.51 -1.99 -0.80 116.25 118.71 1oty h VAL 115 Ca 0.00 -0.08 -0.13 0.00 -1.23 0.00 0.00 66.70 65.26 1oty h VAL 115 Cb 0.76 0.44 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1oty h VAL 115 CO 0.00 0.04 -0.60 0.78 -1.23 0.00 0.00 177.57 176.57 1oty h ASN 116 N 0.22 0.13 -0.22 4.19 -0.26 -1.93 -2.26 115.58 115.45 1oty h ASN 116 Ca 0.27 -0.07 -0.09 0.00 -0.56 0.00 0.00 56.30 55.84 1oty h ASN 116 Cb 0.38 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 1oty h ASN 116 CO -0.36 0.69 -0.17 0.03 -1.06 0.00 0.00 177.43 176.56 1oty h ARG 117 N 0.08 0.65 -0.33 0.81 3.08 -1.65 0.35 114.38 117.37 1oty h ARG 117 Ca -0.01 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.74 1oty h ARG 117 Cb 1.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1oty h ARG 117 CO 0.08 0.78 -0.13 0.82 -1.07 0.00 0.00 179.97 180.46 1oty h ILE 118 N 0.58 1.24 0.05 2.04 2.04 -0.84 0.36 117.51 122.98 1oty h ILE 118 Ca 0.09 -1.08 -0.23 0.00 1.00 0.00 0.00 64.86 64.64 1oty h ILE 118 Cb 0.62 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1oty h ILE 118 CO 0.04 0.36 -1.03 0.03 0.00 0.00 0.00 178.15 177.55 1oty h ARG 119 N 0.52 0.21 -0.91 2.37 3.08 -0.81 -3.36 114.38 115.49 1oty h ARG 119 Ca 0.09 -0.29 -0.57 0.00 0.07 0.00 0.00 59.98 59.29 1oty h ARG 119 Cb 0.53 0.10 -0.29 0.00 0.08 0.00 0.00 29.97 30.39 1oty h ARG 119 CO 0.03 1.07 0.54 0.34 -1.07 0.00 0.00 179.97 180.89 1oty n PHE 120 N -3.57 2.92 -3.95 3.04 7.35 0.12 -4.92 117.46 118.44 1oty n PHE 120 Ca -0.05 -2.46 -0.32 0.00 -0.76 0.00 0.00 57.45 53.86 1oty n PHE 120 Cb 0.91 -1.10 -0.01 0.00 0.35 0.00 0.00 39.48 39.63 1oty n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1oty n LYS 121 N -0.99 -3.92 -1.21 -4.13 5.02 -1.10 -1.07 118.16 110.76 1oty n LYS 121 Ca 0.57 0.46 -0.07 0.00 -2.02 0.00 0.00 58.31 57.25 1oty n LYS 121 Cb 1.03 -5.24 -0.03 0.00 -0.02 0.00 0.00 35.03 30.77 1oty n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1oty n ASP 122 N -2.62 -4.65 -3.56 4.39 4.64 0.12 -5.01 116.55 109.86 1oty n ASP 122 Ca 0.05 0.18 -0.12 0.00 -1.38 0.00 0.00 54.79 53.53 1oty n ASP 122 Cb 0.51 -2.80 0.05 0.00 -1.04 0.00 0.00 41.12 37.84 1oty n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1oty n HIS 123 N -2.53 -2.80 -3.10 -0.67 8.25 -0.23 -5.01 115.22 109.12 1oty n HIS 123 Ca -0.07 -1.11 -0.43 0.00 -0.26 0.00 0.00 57.72 55.85 1oty n HIS 123 Cb 0.37 -0.34 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 1oty n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oty s ASP 124 N -3.11 6.31 -0.26 0.41 -0.00 -1.26 -4.60 116.67 114.15 1oty s ASP 124 Ca 0.35 -0.43 -0.11 0.00 -0.00 0.00 0.00 52.55 52.36 1oty s ASP 124 Cb -0.02 -2.32 -0.05 0.00 -0.00 0.00 0.00 42.92 40.52 1oty s ASP 124 CO 0.23 -0.83 0.20 0.12 -0.00 0.00 0.00 175.17 174.89 1oty s PHE 125 N 2.86 3.26 -0.71 4.23 5.36 -1.26 -5.03 117.98 126.69 1oty s PHE 125 Ca 0.22 0.18 -0.27 0.00 -0.96 0.00 0.00 56.93 56.10 1oty s PHE 125 Cb -0.15 -2.36 0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1oty s PHE 125 CO 0.18 -0.09 1.41 0.00 -1.46 0.00 0.00 175.22 175.26 1oty s ALA 126 N 1.54 2.63 -0.48 11.12 0.00 -1.26 -4.95 121.76 130.36 1oty s ALA 126 Ca 0.08 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 1oty s ALA 126 Cb -0.15 -4.27 -0.01 0.00 0.00 0.00 0.00 23.12 18.69 1oty s ALA 126 CO 0.09 -3.41 1.74 0.00 0.00 0.00 0.00 175.76 174.17 1oty s ALA 127 N 6.46 2.61 0.17 0.00 0.00 -1.26 -4.95 121.76 124.78 1oty s ALA 127 Ca 0.42 -0.25 0.10 0.00 0.00 0.00 0.00 51.96 52.23 1oty s ALA 127 Cb -0.09 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 1oty s ALA 127 CO 0.16 -3.13 -0.21 0.96 0.00 0.00 0.00 175.76 173.54 1oty s ILE 128 N 7.49 2.02 0.63 0.00 -4.36 -1.26 -0.13 121.20 125.58 1oty s ILE 128 Ca 0.70 -1.93 -0.06 0.00 -0.26 0.00 0.00 60.65 59.10 1oty s ILE 128 Cb -0.16 -1.93 0.03 0.00 1.25 0.00 0.00 42.46 41.65 1oty s ILE 128 CO 0.27 -0.21 0.94 0.00 0.24 0.00 0.00 174.94 176.18 1oty s ALA 129 N -1.82 3.26 0.06 2.27 0.00 0.25 -4.86 121.76 120.92 1oty s ALA 129 Ca 0.17 -0.79 -0.31 0.00 0.00 0.00 0.00 51.96 51.03 1oty s ALA 129 Cb -0.07 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 1oty s ALA 129 CO 0.08 -0.98 1.35 0.34 0.00 0.00 0.00 175.76 176.54 1oty s ASP 130 N -4.38 6.90 0.15 0.00 -1.08 -0.78 -4.94 116.67 112.53 1oty s ASP 130 Ca 0.56 2.17 -0.19 0.00 -0.52 0.00 0.00 52.55 54.57 1oty s ASP 130 Cb -0.11 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.81 1oty s ASP 130 CO 0.45 -0.63 1.67 0.15 0.52 0.00 0.00 175.17 177.33 1oty h PHE 131 N 7.16 -0.29 -0.96 -5.34 3.57 -1.95 -2.30 116.94 116.84 1oty h PHE 131 Ca -0.40 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.16 1oty h PHE 131 Cb 1.20 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 40.05 1oty h PHE 131 CO 0.69 -0.19 0.62 -0.44 -2.23 0.00 0.00 178.31 176.77 1oty h ASP 132 N -0.08 1.03 -0.76 0.41 3.32 -1.99 -1.13 116.42 117.22 1oty h ASP 132 Ca 0.14 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1oty h ASP 132 Cb 0.29 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1oty h ASP 132 CO -0.33 0.70 0.36 0.24 -1.72 0.00 0.00 179.24 178.49 1oty h MET 133 N 1.20 1.12 -0.29 3.56 2.86 -1.85 0.22 114.93 121.75 1oty h MET 133 Ca 0.38 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1oty h MET 133 Cb 0.02 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1oty h MET 133 CO -0.13 0.87 0.08 0.28 1.06 0.00 0.00 176.91 179.07 1oty h VAL 134 N 1.11 1.21 -0.69 -2.22 2.07 -0.82 -1.88 116.25 115.03 1oty h VAL 134 Ca 0.27 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1oty h VAL 134 Cb 0.13 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1oty h VAL 134 CO -0.03 0.23 0.26 -0.09 0.02 0.00 0.00 177.57 177.95 1oty h ARG 135 N 0.31 1.05 -0.52 1.57 2.43 -0.79 -0.64 114.38 117.79 1oty h ARG 135 Ca 0.09 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1oty h ARG 135 Cb 0.27 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1oty h ARG 135 CO -0.00 0.88 0.33 -0.91 -1.51 0.00 0.00 179.97 178.76 1oty h ASN 136 N 1.00 0.55 -0.56 -3.80 2.35 -0.41 -0.90 115.58 113.81 1oty h ASN 136 Ca 0.23 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1oty h ASN 136 Cb 0.24 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1oty h ASN 136 CO -0.02 0.39 0.02 0.00 -1.65 0.00 0.00 177.43 176.18 1oty h ALA 137 N 1.21 0.93 -0.72 -0.83 0.00 -1.04 0.18 119.26 118.99 1oty h ALA 137 Ca 0.20 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1oty h ALA 137 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1oty h ALA 137 CO -0.07 0.65 0.21 0.28 0.00 0.00 0.00 179.25 180.32 1oty h VAL 138 N 0.93 1.26 -0.11 0.00 2.07 -0.73 -1.45 116.25 118.21 1oty h VAL 138 Ca 0.17 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1oty h VAL 138 Cb 0.51 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1oty h VAL 138 CO 0.02 0.36 -0.15 0.44 0.02 0.00 0.00 177.57 178.26 1oty h ASP 139 N 1.07 0.33 -0.94 0.57 3.45 -0.85 -2.53 116.42 117.53 1oty h ASP 139 Ca 0.23 -0.51 0.09 0.00 0.43 0.00 0.00 57.03 57.27 1oty h ASP 139 Cb 0.32 -0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 38.93 1oty h ASP 139 CO -0.00 0.77 0.60 0.00 -1.57 0.00 0.00 179.24 179.04 1oty h ALA 140 N 0.56 1.56 -0.66 3.45 0.00 -0.55 -0.65 119.26 122.97 1oty h ALA 140 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1oty h ALA 140 Cb 0.70 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1oty h ALA 140 CO 0.04 0.26 0.10 0.00 0.00 0.00 0.00 179.25 179.65 1oty h ALA 141 N 1.53 0.93 -0.34 0.00 0.00 -1.17 -2.02 119.26 118.18 1oty h ALA 141 Ca 0.43 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1oty h ALA 141 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1oty h ALA 141 CO -0.19 0.66 -0.12 0.87 0.00 0.00 0.00 179.25 180.47 1oty h LYS 142 N 1.02 0.68 -0.02 0.00 1.79 -0.85 0.28 116.57 119.48 1oty h LYS 142 Ca 0.20 -0.28 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1oty h LYS 142 Cb 0.45 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1oty h LYS 142 CO 0.01 0.87 0.02 0.00 -1.08 0.00 0.00 179.45 179.28 1oty h ALA 143 N 0.80 1.53 -0.19 3.86 0.00 -0.98 0.20 119.26 124.48 1oty h ALA 143 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1oty h ALA 143 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1oty h ALA 143 CO 0.04 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1oty n LEU 144 N -3.80 2.93 -1.79 0.00 4.77 -0.78 -4.95 117.00 113.38 1oty n LEU 144 Ca -0.03 -1.13 -0.16 0.00 -0.03 0.00 0.00 56.01 54.67 1oty n LEU 144 Cb 0.11 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1oty n LEU 144 CO 0.27 0.56 -0.20 0.61 -1.33 0.00 0.00 177.39 177.30 1oty n GLY 145 N 1.38 -0.11 3.65 -0.72 0.00 0.71 -5.00 105.19 105.11 1oty n GLY 145 Ca 0.17 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1oty n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oty s ILE 146 N -2.79 4.25 0.16 -0.61 1.01 0.88 -5.00 121.20 119.10 1oty s ILE 146 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1oty s ILE 146 Cb 0.00 -2.80 -0.07 0.00 0.01 0.00 0.00 42.46 39.60 1oty s ILE 146 CO 0.00 0.59 0.97 -1.81 0.00 0.00 0.00 174.94 174.69 1oty s ASP 147 N -0.69 7.52 -0.14 3.58 1.01 -1.26 -4.20 116.67 122.49 1oty s ASP 147 Ca 0.11 1.88 -0.04 0.00 0.71 0.00 0.00 52.55 55.21 1oty s ASP 147 Cb -0.12 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.29 1oty s ASP 147 CO 0.02 -0.01 0.22 0.00 0.21 0.00 0.00 175.17 175.61 1oty s ALA 148 N -0.40 -0.34 0.28 5.23 0.00 -1.26 -4.02 121.76 121.25 1oty s ALA 148 Ca 0.45 0.58 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1oty s ALA 148 Cb -0.25 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.70 1oty s ALA 148 CO 0.31 -0.83 0.84 1.03 0.00 0.00 0.00 175.76 177.11 1oty s ARG 149 N 2.35 4.43 -0.14 0.00 0.52 -0.21 -4.88 118.95 121.02 1oty s ARG 149 Ca 0.04 1.12 0.02 0.00 -0.52 0.00 0.00 55.73 56.39 1oty s ARG 149 Cb -0.13 -2.83 0.01 0.00 0.52 0.00 0.00 34.95 32.52 1oty s ARG 149 CO -0.09 0.33 -0.21 0.08 0.02 0.00 0.00 175.30 175.42 1oty s VAL 150 N -1.58 2.02 -0.96 3.52 1.01 -1.26 0.46 120.40 123.61 1oty s VAL 150 Ca 0.47 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1oty s VAL 150 Cb -0.18 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1oty s VAL 150 CO 0.22 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1oty n GLY 151 N 4.09 -0.76 3.83 4.51 0.00 -0.70 -4.93 105.19 111.22 1oty n GLY 151 Ca -0.20 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1oty n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oty s ASN 152 N -4.00 6.94 0.39 1.61 0.01 -1.26 -0.95 114.94 117.68 1oty s ASN 152 Ca 0.00 1.16 0.08 0.00 -0.71 0.00 0.00 52.86 53.38 1oty s ASN 152 Cb 0.00 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1oty s ASN 152 CO 0.00 0.21 0.22 -0.76 -1.51 0.00 0.00 177.10 175.26 1oty s LEU 153 N -1.46 3.24 -0.15 0.60 1.43 -0.68 -0.43 118.68 121.24 1oty s LEU 153 Ca 0.32 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1oty s LEU 153 Cb -0.17 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1oty s LEU 153 CO 0.18 -0.49 -0.08 0.12 0.23 0.00 0.00 176.35 176.31 1oty s PHE 154 N -2.51 1.78 -0.46 0.29 5.36 0.15 -0.03 117.98 122.56 1oty s PHE 154 Ca 0.42 -1.04 -0.20 0.00 -0.96 0.00 0.00 56.93 55.15 1oty s PHE 154 Cb -0.00 -1.37 0.03 0.00 -0.34 0.00 0.00 43.02 41.35 1oty s PHE 154 CO 0.24 -0.60 0.60 -1.12 -1.46 0.00 0.00 175.22 172.88 1oty s SER 155 N 1.61 6.26 0.08 6.13 0.01 0.21 -1.04 113.70 126.96 1oty s SER 155 Ca 0.03 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.61 1oty s SER 155 Cb -0.14 -2.29 -0.06 0.00 0.21 0.00 0.00 66.02 63.74 1oty s SER 155 CO -0.08 -0.78 0.38 0.00 0.41 0.00 0.00 173.24 173.16 1oty s ALA 156 N 2.64 3.75 0.01 1.44 0.00 0.19 -3.12 121.76 126.68 1oty s ALA 156 Ca 0.18 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.77 1oty s ALA 156 Cb -0.16 -2.22 -0.24 0.00 0.00 0.00 0.00 23.12 20.49 1oty s ALA 156 CO 0.16 0.59 0.88 -0.44 0.00 0.00 0.00 175.76 176.94 1oty h ASP 157 N 3.63 0.13 -3.72 0.00 3.45 -1.89 -3.40 116.42 114.61 1oty h ASP 157 Ca -0.49 -0.20 -0.69 0.00 0.43 0.00 0.00 57.03 56.09 1oty h ASP 157 Cb 1.19 -0.04 -0.31 0.00 -0.56 0.00 0.00 39.33 39.61 1oty h ASP 157 CO 0.67 1.17 -0.65 -0.76 -1.57 0.00 0.00 179.24 178.10 1oty s LEU 158 N -6.56 4.12 0.28 1.55 1.43 -1.26 -4.94 118.68 113.31 1oty s LEU 158 Ca -0.05 -1.20 -0.02 0.00 -1.03 0.00 0.00 54.13 51.83 1oty s LEU 158 Cb 0.08 -1.80 0.39 0.00 0.03 0.00 0.00 46.19 44.89 1oty s LEU 158 CO 0.83 -0.30 1.86 0.15 0.23 0.00 0.00 176.35 179.12 1oty h PHE 159 N 8.12 0.94 -2.96 0.29 3.04 -1.97 -2.99 116.94 121.40 1oty h PHE 159 Ca -0.22 -0.06 -0.77 0.00 3.98 0.00 0.00 57.97 60.91 1oty h PHE 159 Cb 1.07 -0.29 -0.31 0.00 2.56 0.00 0.00 35.95 38.99 1oty h PHE 159 CO 0.60 0.72 0.43 0.66 -2.02 0.00 0.00 178.31 178.71 1oty n TYR 160 N -4.31 3.18 -2.24 0.41 4.01 -1.26 -5.04 117.16 111.91 1oty n TYR 160 Ca 0.05 -3.21 -0.42 0.00 -0.16 0.00 0.00 57.90 54.17 1oty n TYR 160 Cb 0.17 -1.21 -0.03 0.00 -0.31 0.00 0.00 39.34 37.96 1oty n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1oty s SER 161 N -1.20 6.92 0.00 7.72 0.15 -1.13 -4.91 113.70 121.24 1oty s SER 161 Ca 0.32 2.32 0.27 0.00 0.70 0.00 0.00 55.95 59.57 1oty s SER 161 Cb 0.03 -2.60 1.32 0.00 -1.71 0.00 0.00 66.02 63.06 1oty s SER 161 CO 0.03 -0.53 1.89 -0.81 1.20 0.00 0.00 173.24 175.02 1oty n PRO 162 N 3.08 1.35 -3.42 5.44 -0.04 -1.26 -4.39 135.00 135.76 1oty n PRO 162 Ca 0.08 -0.51 -0.35 0.00 -0.04 0.00 0.00 63.50 62.67 1oty n PRO 162 Cb 0.43 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1oty n PRO 162 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1oty n ASP 163 N -0.35 4.64 -0.16 3.54 4.64 -1.26 -4.92 116.55 122.68 1oty n ASP 163 Ca 0.20 -3.29 -0.02 0.00 -1.38 0.00 0.00 54.79 50.30 1oty n ASP 163 Cb 0.23 -1.00 0.07 0.00 -1.04 0.00 0.00 41.12 39.37 1oty n ASP 163 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1oty h GLY 164 N 5.36 0.59 0.61 0.27 0.00 -2.02 -2.24 103.07 105.63 1oty h GLY 164 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.69 1oty h GLY 164 CO 0.97 -0.09 0.53 0.83 0.00 0.00 0.00 176.54 178.78 1oty h GLU 165 N 0.20 0.00 -0.16 4.80 5.08 -1.98 -0.81 114.58 121.71 1oty h GLU 165 Ca 0.26 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 1oty h GLU 165 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1oty h GLU 165 CO -0.36 0.00 0.17 1.98 -1.00 0.00 0.00 179.01 179.80 1oty h MET 166 N 0.00 0.00 -0.09 2.33 4.05 -1.83 0.12 114.93 119.51 1oty h MET 166 Ca 0.28 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.62 1oty h MET 166 Cb 1.34 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.13 1oty h MET 166 CO -0.00 0.00 -0.32 0.74 0.23 0.00 0.00 176.91 177.56 1oty h PHE 167 N 0.00 0.19 -0.23 1.39 0.05 -1.33 0.04 116.94 117.06 1oty h PHE 167 Ca 0.07 -0.04 -0.12 0.00 3.82 0.00 0.00 57.97 61.71 1oty h PHE 167 Cb 0.42 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.31 1oty h PHE 167 CO 0.00 0.47 -0.35 -0.44 -0.18 0.00 0.00 178.31 177.81 1oty h ASP 168 N 0.15 0.51 -0.36 2.17 3.45 -0.93 -0.29 116.42 121.11 1oty h ASP 168 Ca 0.02 -0.21 -0.16 0.00 0.43 0.00 0.00 57.03 57.11 1oty h ASP 168 Cb 0.64 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1oty h ASP 168 CO 0.05 0.82 -0.40 0.58 -1.57 0.00 0.00 179.24 178.72 1oty h VAL 169 N 0.41 1.27 -0.44 -1.35 2.07 -1.22 -0.17 116.25 116.83 1oty h VAL 169 Ca 0.05 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1oty h VAL 169 Cb 0.81 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1oty h VAL 169 CO 0.07 0.53 0.21 0.24 0.02 0.00 0.00 177.57 178.63 1oty h MET 170 N 0.73 0.63 0.03 1.57 2.86 -0.69 -2.16 114.93 117.91 1oty h MET 170 Ca 0.05 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1oty h MET 170 Cb 1.00 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1oty h MET 170 CO 0.10 0.54 -0.02 1.49 1.06 0.00 0.00 176.91 180.08 1oty h GLU 171 N 0.57 -0.04 -0.68 1.72 4.81 -0.92 -1.01 114.58 119.02 1oty h GLU 171 Ca 0.15 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.53 1oty h GLU 171 Cb 0.12 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1oty h GLU 171 CO -0.02 0.04 0.46 -0.22 -0.73 0.00 0.00 179.01 178.55 1oty h LYS 172 N -0.12 0.30 -0.63 1.92 3.64 -0.84 -0.95 116.57 119.89 1oty h LYS 172 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1oty h LYS 172 Cb 0.11 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1oty h LYS 172 CO 0.01 0.20 0.00 0.66 -2.27 0.00 0.00 179.45 178.04 1oty n TYR 173 N -4.45 0.89 -1.55 1.91 4.01 -0.83 -4.96 117.16 112.18 1oty n TYR 173 Ca 0.13 -0.43 -0.03 0.00 -0.16 0.00 0.00 57.90 57.41 1oty n TYR 173 Cb 0.53 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 1oty n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oty n GLY 174 N 1.44 0.43 3.70 2.72 0.00 -0.36 -4.99 105.19 108.13 1oty n GLY 174 Ca 0.21 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1oty n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oty s ILE 175 N -2.13 2.51 0.06 -0.61 -1.09 -0.42 -4.57 121.20 114.94 1oty s ILE 175 Ca 0.00 0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.59 1oty s ILE 175 Cb 0.00 -3.10 -0.26 0.00 -1.58 0.00 0.00 42.46 37.52 1oty s ILE 175 CO 0.00 0.00 1.05 -0.07 -1.23 0.00 0.00 174.94 174.69 1oty h LEU 176 N 7.95 0.26 -7.23 2.97 3.38 -1.09 -3.39 115.31 118.16 1oty h LEU 176 Ca -0.44 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.12 1oty h LEU 176 Cb 1.21 -0.09 -0.21 0.00 0.09 0.00 0.00 40.66 41.67 1oty h LEU 176 CO 0.94 1.26 -0.06 -0.83 0.09 0.00 0.00 178.44 179.84 1oty s GLY 177 N -4.80 -0.38 -0.30 0.83 0.00 -1.25 -4.52 107.32 96.90 1oty s GLY 177 Ca -0.04 1.08 -0.08 0.00 0.00 0.00 0.00 44.72 45.67 1oty s GLY 177 CO 0.85 0.82 0.11 0.14 0.00 0.00 0.00 173.10 175.03 1oty s VAL 178 N -0.67 4.27 0.00 1.40 1.01 0.37 -0.68 120.40 126.10 1oty s VAL 178 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1oty s VAL 178 Cb -0.03 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1oty s VAL 178 CO 0.05 0.08 0.00 -1.84 0.00 0.00 0.00 175.10 173.38 1oty n GLU 179 N 4.92 1.50 -1.01 2.72 -0.00 -0.21 -0.72 120.64 127.84 1oty n GLU 179 Ca -0.14 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.04 1oty n GLU 179 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.93 1oty n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1oty n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -0.63 117.12 121.47 1oty n MET 180 Ca 0.00 -1.46 0.00 0.00 -1.81 0.00 0.00 57.70 54.43 1oty n MET 180 Cb 0.00 -0.20 0.00 0.00 -0.71 0.00 0.00 33.22 32.31 1oty n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1oty n GLU 181 N 0.25 0.00 -0.16 0.03 4.71 -1.26 -1.79 120.64 122.42 1oty n GLU 181 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.13 1oty n GLU 181 Cb 0.92 -0.19 -0.04 0.00 -1.01 0.00 0.00 31.44 31.12 1oty n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1oty n ALA 182 N -2.20 -0.24 -0.13 0.62 0.00 -1.26 0.39 120.51 117.69 1oty n ALA 182 Ca 0.00 0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.87 1oty n ALA 182 Cb 0.03 -0.03 0.46 0.00 0.00 0.00 0.00 19.45 19.91 1oty n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oty h ALA 183 N 0.14 1.95 -0.09 0.00 0.00 -1.83 0.11 119.26 119.54 1oty h ALA 183 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1oty h ALA 183 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1oty h ALA 183 CO -0.35 -0.10 -0.35 0.78 0.00 0.00 0.00 179.25 179.24 1oty h GLY 184 N 0.51 0.44 0.99 0.00 0.00 -0.42 -1.74 103.07 102.83 1oty h GLY 184 Ca 0.31 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1oty h GLY 184 CO -0.10 0.53 0.28 -2.22 0.00 0.00 0.00 176.54 175.03 1oty h ILE 185 N -0.06 1.20 -0.44 2.60 2.04 -0.64 -0.38 117.51 121.84 1oty h ILE 185 Ca -0.02 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1oty h ILE 185 Cb 0.99 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1oty h ILE 185 CO 0.07 0.23 0.01 1.88 0.00 0.00 0.00 178.15 180.34 1oty h TYR 186 N 0.76 0.75 -0.04 1.37 0.99 -0.85 0.02 116.97 119.98 1oty h TYR 186 Ca 0.19 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 1oty h TYR 186 Cb 0.10 -0.21 -0.00 0.00 1.00 0.00 0.00 36.73 37.62 1oty h TYR 186 CO -0.00 0.70 0.01 0.78 -0.00 0.00 0.00 178.16 179.64 1oty h GLY 187 N 0.94 0.06 1.10 3.88 0.00 -0.73 -2.30 103.07 106.01 1oty h GLY 187 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1oty h GLY 187 CO 0.01 0.03 0.45 -2.08 0.00 0.00 0.00 176.54 174.95 1oty h VAL 188 N -0.12 1.25 -0.45 4.60 2.07 -0.85 -1.09 116.25 121.66 1oty h VAL 188 Ca 0.01 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1oty h VAL 188 Cb 0.19 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1oty h VAL 188 CO -0.00 0.28 0.24 0.00 0.02 0.00 0.00 177.57 178.12 1oty h ALA 189 N 1.31 0.57 -0.49 1.67 0.00 -0.82 0.12 119.26 121.62 1oty h ALA 189 Ca 0.29 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1oty h ALA 189 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1oty h ALA 189 CO -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 179.25 179.02 1oty h ALA 190 N 1.23 0.67 -0.40 0.00 0.00 -1.10 -0.14 119.26 119.52 1oty h ALA 190 Ca 0.19 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1oty h ALA 190 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1oty h ALA 190 CO -0.12 0.56 -0.14 1.49 0.00 0.00 0.00 179.25 181.05 1oty h GLU 191 N 0.78 0.80 -0.58 0.00 4.81 -0.76 -3.27 114.58 116.36 1oty h GLU 191 Ca 0.13 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1oty h GLU 191 Cb 0.64 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1oty h GLU 191 CO 0.04 0.95 0.00 1.19 -0.73 0.00 0.00 179.01 180.46 1oty n PHE 192 N -4.29 0.76 -2.32 0.92 3.01 0.39 -5.00 117.46 110.93 1oty n PHE 192 Ca -0.01 -0.39 -0.07 0.00 1.01 0.00 0.00 57.45 57.99 1oty n PHE 192 Cb 0.39 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.89 1oty n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oty n GLY 193 N 1.58 -0.01 1.66 1.37 0.00 -0.46 -4.95 105.19 104.39 1oty n GLY 193 Ca 0.22 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1oty n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oty n ALA 194 N -2.29 0.27 -2.48 4.61 0.00 -0.19 -5.05 120.51 115.38 1oty n ALA 194 Ca -0.04 -0.97 -0.26 0.00 0.00 0.00 0.00 53.44 52.17 1oty n ALA 194 Cb 0.56 0.78 -0.13 0.00 0.00 0.00 0.00 19.45 20.66 1oty n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1oty s LYS 195 N -2.64 1.30 0.11 0.00 1.02 -0.74 -4.51 119.74 114.28 1oty s LYS 195 Ca 0.19 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 1oty s LYS 195 Cb 0.01 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.77 1oty s LYS 195 CO 0.14 0.38 0.26 0.00 -0.92 0.00 0.00 175.35 175.21 1oty s ALA 196 N -1.00 -0.38 -0.16 5.17 0.00 -1.26 -1.52 121.76 122.61 1oty s ALA 196 Ca 0.08 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.33 1oty s ALA 196 Cb -0.10 0.60 0.05 0.00 0.00 0.00 0.00 23.12 23.68 1oty s ALA 196 CO 0.04 -0.57 0.55 -1.17 0.00 0.00 0.00 175.76 174.60 1oty s LEU 197 N -2.86 -0.10 -0.13 0.00 2.96 -0.73 -1.87 118.68 115.95 1oty s LEU 197 Ca 0.06 0.92 0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1oty s LEU 197 Cb 0.04 1.95 0.01 0.00 0.50 0.00 0.00 46.19 48.68 1oty s LEU 197 CO -0.09 -0.30 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.52 1oty s THR 198 N -0.17 2.05 -0.10 3.68 2.01 -1.26 -0.42 115.64 121.43 1oty s THR 198 Ca -0.04 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.00 1oty s THR 198 Cb -0.03 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1oty s THR 198 CO 0.03 0.55 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.70 1oty s ILE 199 N 0.65 2.60 0.06 1.82 1.01 0.15 -1.21 121.20 126.28 1oty s ILE 199 Ca -0.11 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1oty s ILE 199 Cb -0.16 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1oty s ILE 199 CO 0.02 0.55 -0.13 0.00 0.00 0.00 0.00 174.94 175.39 1oty s THR 201 N -1.18 4.85 -0.67 0.00 2.01 0.94 -0.30 115.64 121.29 1oty s THR 201 Ca -0.03 -0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.70 1oty s THR 201 Cb -0.09 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 1oty s THR 201 CO 0.02 0.42 1.83 -0.69 -0.69 0.00 0.00 174.62 175.50 1oty s VAL 202 N 0.70 3.40 -0.34 3.82 1.01 -0.10 -1.12 120.40 127.77 1oty s VAL 202 Ca 0.04 0.11 0.26 0.00 0.00 0.00 0.00 61.98 62.40 1oty s VAL 202 Cb -0.13 -4.04 0.34 0.00 0.00 0.00 0.00 36.38 32.55 1oty s VAL 202 CO 0.02 -1.00 1.74 0.28 0.00 0.00 0.00 175.10 176.13 1oty h SER 203 N 13.97 0.00 0.00 3.32 0.02 -1.54 0.18 113.55 129.50 1oty h SER 203 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1oty h SER 203 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1oty h SER 203 CO 1.23 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 176.02 1oty n ASP 204 N -2.92 0.00 -4.63 3.07 5.75 -1.25 -3.14 116.55 113.44 1oty n ASP 204 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.47 1oty n ASP 204 Cb 0.44 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.43 1oty n ASP 204 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1oty s HIS 205 N -2.00 3.24 0.49 2.11 3.76 -1.26 -0.27 115.29 121.37 1oty s HIS 205 Ca 0.00 0.06 0.30 0.00 -0.15 0.00 0.00 55.06 55.27 1oty s HIS 205 Cb 0.00 -2.08 1.67 0.00 1.11 0.00 0.00 32.58 33.29 1oty s HIS 205 CO 0.00 0.14 2.17 0.82 -0.85 0.00 0.00 174.74 177.02 1oty h ILE 206 N 4.88 0.49 0.00 0.60 2.04 -1.54 -1.56 117.51 122.42 1oty h ILE 206 Ca -0.37 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1oty h ILE 206 Cb 1.17 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1oty h ILE 206 CO 0.70 0.06 -0.00 0.03 0.00 0.00 0.00 178.15 178.94 1oty h ARG 207 N 0.00 -0.00 -0.19 2.37 2.47 -1.93 -3.40 114.38 113.70 1oty h ARG 207 Ca -0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1oty h ARG 207 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1oty h ARG 207 CO 0.01 -0.00 -0.08 1.79 0.56 0.00 0.00 179.97 182.25 1oty h THR 208 N -0.03 1.17 -4.30 2.04 1.35 -1.94 -3.48 112.91 107.71 1oty h THR 208 Ca -0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1oty h THR 208 Cb 0.00 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1oty h THR 208 CO 0.00 0.23 -0.57 1.41 -0.25 0.00 0.00 175.52 176.34 1oty n HIS 209 N -4.30 -2.40 -3.06 4.73 8.25 -0.59 -5.01 115.22 112.84 1oty n HIS 209 Ca -0.00 1.05 -0.18 0.00 -0.26 0.00 0.00 57.72 58.33 1oty n HIS 209 Cb 0.24 -3.04 -0.03 0.00 1.12 0.00 0.00 29.99 28.28 1oty n HIS 209 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1oty n GLU 210 N 0.33 0.60 -1.29 -0.41 1.02 -1.26 -4.99 120.64 114.64 1oty n GLU 210 Ca 0.01 -2.66 -0.36 0.00 -0.02 0.00 0.00 57.16 54.12 1oty n GLU 210 Cb 0.03 -1.41 0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1oty n GLU 210 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1oty n GLN 211 N 1.97 0.32 -1.23 3.49 3.00 -1.26 -4.49 117.38 119.17 1oty n GLN 211 Ca 0.19 0.15 -0.41 0.00 -0.01 0.00 0.00 57.00 56.92 1oty n GLN 211 Cb 0.55 -1.78 -0.02 0.00 0.00 0.00 0.00 30.24 28.99 1oty n GLN 211 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1oty n THR 212 N -2.26 1.24 -3.96 5.09 -2.24 -1.19 -4.99 114.28 105.97 1oty n THR 212 Ca 0.10 -0.46 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 1oty n THR 212 Cb 0.50 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 1oty n THR 212 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1oty s THR 213 N -1.21 0.17 0.00 4.28 -1.32 -1.26 -5.08 115.64 111.22 1oty s THR 213 Ca 0.56 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 1oty s THR 213 Cb -0.72 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1oty s THR 213 CO 0.54 -0.76 0.00 0.00 -2.21 0.00 0.00 174.62 172.19 1oty n ALA 214 N 0.24 0.00 1.22 11.08 0.00 -1.26 -3.17 120.51 128.63 1oty n ALA 214 Ca -0.16 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1oty n ALA 214 Cb 0.61 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.42 1oty n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oty n ALA 215 N 3.21 2.52 -0.06 0.00 0.00 -1.26 -4.03 120.51 120.89 1oty n ALA 215 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 53.44 52.92 1oty n ALA 215 Cb 0.00 -1.08 0.28 0.00 0.00 0.00 0.00 19.45 18.64 1oty n ALA 215 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1oty h GLU 216 N 2.13 0.65 -0.39 0.00 3.07 -2.00 -3.00 114.58 115.04 1oty h GLU 216 Ca 0.00 -0.11 0.08 0.00 -0.50 0.00 0.00 59.36 58.83 1oty h GLU 216 Cb 0.47 -0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 28.19 1oty h GLU 216 CO 0.00 0.59 -0.13 0.00 -1.40 0.00 0.00 179.01 178.07 1oty h ARG 217 N 0.64 -0.05 -0.11 2.33 3.08 -1.70 -2.62 114.38 115.96 1oty h ARG 217 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1oty h ARG 217 Cb 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1oty h ARG 217 CO -0.00 -0.03 0.06 0.37 -1.07 0.00 0.00 179.97 179.30 1oty h GLN 218 N -0.05 0.13 0.61 0.04 4.15 -1.82 0.57 115.11 118.73 1oty h GLN 218 Ca 0.19 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1oty h GLN 218 Cb 0.34 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1oty h GLN 218 CO -0.43 0.09 -0.43 1.15 -1.93 0.00 0.00 178.83 177.28 1oty h THR 219 N 0.14 0.13 -0.49 2.39 2.02 -1.57 0.21 112.91 115.74 1oty h THR 219 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.27 1oty h THR 219 Cb -0.01 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.49 1oty h THR 219 CO -0.02 0.00 0.23 0.74 0.37 0.00 0.00 175.52 176.85 1oty h THR 220 N -1.00 0.93 -0.74 3.16 2.02 -1.47 0.27 112.91 116.07 1oty h THR 220 Ca -0.07 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1oty h THR 220 Cb 0.83 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1oty h THR 220 CO 0.04 0.08 0.49 0.15 0.37 0.00 0.00 175.52 176.65 1oty h PHE 221 N 0.46 0.92 -0.18 3.16 3.04 -0.73 -0.42 116.94 123.19 1oty h PHE 221 Ca 0.22 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.12 1oty h PHE 221 Cb 0.16 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 1oty h PHE 221 CO -0.11 0.57 -0.22 -0.91 -2.02 0.00 0.00 178.31 175.62 1oty h ASN 222 N 0.99 0.30 -0.45 0.41 2.35 0.36 -1.50 115.58 118.04 1oty h ASN 222 Ca 0.28 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1oty h ASN 222 Cb -0.10 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1oty h ASN 222 CO -0.07 0.53 0.10 0.44 -1.65 0.00 0.00 177.43 176.78 1oty h ASP 223 N 0.28 0.69 -0.28 5.81 3.32 0.70 0.64 116.42 127.57 1oty h ASP 223 Ca 0.05 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1oty h ASP 223 Cb 0.54 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1oty h ASP 223 CO 0.04 0.75 0.17 -0.03 -1.72 0.00 0.00 179.24 178.45 1oty h MET 224 N 0.60 0.39 -0.47 3.56 4.05 -0.74 0.98 114.93 123.29 1oty h MET 224 Ca 0.14 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1oty h MET 224 Cb 0.34 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1oty h MET 224 CO 0.00 0.31 0.13 0.82 0.23 0.00 0.00 176.91 178.40 1oty h ILE 225 N 0.36 1.20 -0.27 1.77 1.08 -1.10 -0.17 117.51 120.37 1oty h ILE 225 Ca 0.10 -0.70 -0.03 0.00 -0.39 0.00 0.00 64.86 63.84 1oty h ILE 225 Cb 0.02 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 1oty h ILE 225 CO -0.02 0.26 0.05 0.50 -0.69 0.00 0.00 178.15 178.25 1oty h LYS 226 N 0.69 0.45 -0.75 2.37 1.63 -0.33 -0.26 116.57 120.37 1oty h LYS 226 Ca 0.16 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1oty h LYS 226 Cb 0.24 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1oty h LYS 226 CO -0.01 0.57 0.39 0.82 -3.45 0.00 0.00 179.45 177.77 1oty h ILE 227 N 0.27 1.23 -0.28 2.00 2.04 -0.25 0.29 117.51 122.82 1oty h ILE 227 Ca 0.08 -0.61 -0.11 0.00 1.00 0.00 0.00 64.86 65.23 1oty h ILE 227 Cb 0.33 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1oty h ILE 227 CO 0.01 0.27 -0.24 0.00 0.00 0.00 0.00 178.15 178.18 1oty h ALA 228 N 1.20 0.40 -0.25 1.87 0.00 -0.91 -0.70 119.26 120.87 1oty h ALA 228 Ca 0.26 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1oty h ALA 228 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1oty h ALA 228 CO -0.04 0.38 0.01 -0.07 0.00 0.00 0.00 179.25 179.54 1oty h LEU 229 N 0.39 0.43 -0.62 0.00 3.38 -0.90 -2.30 115.31 115.69 1oty h LEU 229 Ca 0.05 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1oty h LEU 229 Cb 0.80 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1oty h LEU 229 CO 0.06 0.61 0.26 -0.33 0.09 0.00 0.00 178.44 179.13 1oty h GLU 230 N 0.22 0.92 -0.73 1.13 4.39 -0.96 -2.33 114.58 117.23 1oty h GLU 230 Ca 0.07 -0.16 0.11 0.00 0.34 0.00 0.00 59.36 59.72 1oty h GLU 230 Cb 0.39 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1oty h GLU 230 CO 0.01 0.77 0.48 0.66 -1.16 0.00 0.00 179.01 179.77 1oty h SER 231 N 0.86 0.52 0.02 1.42 4.64 -0.94 0.37 113.55 120.44 1oty h SER 231 Ca 0.21 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1oty h SER 231 Cb 0.19 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1oty h SER 231 CO -0.02 0.30 -0.19 0.58 -0.87 0.00 0.00 176.83 176.63 1oty h VAL 232 N 0.57 1.22 -0.10 0.95 2.07 -0.86 -1.18 116.25 118.93 1oty h VAL 232 Ca 0.34 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1oty h VAL 232 Cb 0.56 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1oty h VAL 232 CO -0.12 0.32 -0.23 -0.07 0.02 0.00 0.00 177.57 177.49 1oty h LEU 233 N 0.30 0.37 -1.79 2.57 3.38 -0.13 -2.67 115.31 117.33 1oty h LEU 233 Ca 0.05 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.47 1oty h LEU 233 Cb 0.51 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1oty h LEU 233 CO 0.03 0.88 0.19 -0.07 0.09 0.00 0.00 178.44 179.57 1oty h LEU 234 N -0.13 0.24 -0.87 1.67 4.07 -1.03 -1.73 115.31 117.53 1oty h LEU 234 Ca -0.00 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 1oty h LEU 234 Cb 0.83 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 1oty h LEU 234 CO 0.05 0.17 -0.07 1.23 -1.08 0.00 0.00 178.44 178.74 1oty h GLY 235 N 0.28 0.83 1.37 0.83 0.00 -1.01 -3.04 103.07 102.33 1oty h GLY 235 Ca 0.12 -0.59 -0.19 0.00 0.00 0.00 0.00 47.33 46.66 1oty h GLY 235 CO -0.02 0.55 -0.69 -0.55 0.00 0.00 0.00 176.54 175.83 1oty h ASP 236 N 0.70 0.73 0.00 0.19 3.32 -0.99 -3.51 116.42 116.86 1oty h ASP 236 Ca 0.13 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1oty h ASP 236 Cb 0.53 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1oty h ASP 236 CO 0.03 1.21 0.00 0.29 -1.72 0.00 0.00 179.24 179.05