#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 1.90 0.53 0.00 -4.23 -0.46 -4.98 115.64 108.39 1oty s THR 2 Ca 0.00 -1.69 0.26 0.00 -1.18 0.00 0.00 61.69 59.08 1oty s THR 2 Cb 0.00 -2.59 0.41 0.00 1.34 0.00 0.00 72.50 71.66 1oty s THR 2 CO 0.00 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.41 1oty h PRO 3 N 1.21 0.00 -0.01 3.99 0.11 -2.01 -3.01 132.00 132.29 1oty h PRO 3 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.67 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.18 1oty n HIS 4 N -4.34 0.00 -3.82 0.65 8.25 -1.26 -4.94 115.22 109.76 1oty n HIS 4 Ca 0.11 -0.03 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 1oty n HIS 4 Cb 0.66 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.22 0.89 -1.18 1.59 1.01 -1.14 -4.63 121.20 117.52 1oty s ILE 5 Ca 0.03 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 1oty s ILE 5 Cb 0.02 -1.23 0.21 0.00 0.01 0.00 0.00 42.46 41.47 1oty s ILE 5 CO 0.03 -0.07 1.35 -3.20 0.00 0.00 0.00 174.94 173.05 1oty n ASN 6 N 4.93 5.36 -3.33 3.58 5.15 -1.26 -1.36 115.26 128.33 1oty n ASN 6 Ca -0.10 -3.02 -0.13 0.00 -0.60 0.00 0.00 54.58 50.73 1oty n ASN 6 Cb 0.47 -1.49 -0.03 0.00 -0.53 0.00 0.00 39.78 38.19 1oty n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oty s ALA 7 N 0.36 0.35 0.21 5.20 0.00 -1.26 -4.63 121.76 121.99 1oty s ALA 7 Ca 0.38 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1oty s ALA 7 Cb -0.04 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 24.09 1oty s ALA 7 CO -0.02 -0.83 -0.16 -1.21 0.00 0.00 0.00 175.76 173.54 1oty s GLU 8 N -3.10 1.36 0.17 0.00 0.41 -1.26 -1.90 118.70 114.38 1oty s GLU 8 Ca 0.27 -1.58 -0.33 0.00 -0.41 0.00 0.00 54.97 52.92 1oty s GLU 8 Cb -0.01 -1.22 -0.15 0.00 -1.78 0.00 0.00 34.13 30.97 1oty s GLU 8 CO 0.17 0.21 1.24 -0.12 -0.49 0.00 0.00 175.26 176.27 1oty n MET 9 N -0.30 1.33 0.00 1.61 0.00 -1.26 -1.12 117.12 117.38 1oty n MET 9 Ca -0.08 0.48 0.00 0.00 -0.00 0.00 0.00 57.70 58.09 1oty n MET 9 Cb 0.60 -2.02 0.00 0.00 0.00 0.00 0.00 33.22 31.79 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 2.14 2.60 0.29 -5.12 0.00 -1.26 -4.91 105.19 98.93 1oty n GLY 10 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.32 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 0.33 0.00 -3.09 1.61 3.32 -1.50 -3.42 116.42 113.66 1oty h ASP 11 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1oty h ASP 11 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.43 1oty h ASP 11 CO 0.00 0.05 -0.68 -0.36 -1.72 0.00 0.00 179.24 176.53 1oty s PHE 12 N -4.33 2.83 0.81 4.55 0.40 -1.26 -4.67 117.98 116.30 1oty s PHE 12 Ca -0.04 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1oty s PHE 12 Cb 0.14 -1.41 0.08 0.00 0.51 0.00 0.00 43.02 42.34 1oty s PHE 12 CO 0.54 0.49 1.16 0.00 0.70 0.00 0.00 175.22 178.12 1oty s ALA 13 N -1.56 2.56 -2.00 5.36 0.00 -1.26 -4.92 121.76 119.94 1oty s ALA 13 Ca 0.26 -0.58 0.28 0.00 0.00 0.00 0.00 51.96 51.92 1oty s ALA 13 Cb -0.10 -2.98 1.67 0.00 0.00 0.00 0.00 23.12 21.71 1oty s ALA 13 CO 0.17 -1.69 2.02 -0.40 0.00 0.00 0.00 175.76 175.86 1oty n ASP 14 N -3.34 0.00 -4.03 0.00 3.85 -1.26 -4.61 116.55 107.16 1oty n ASP 14 Ca 0.08 -0.89 -0.23 0.00 -0.71 0.00 0.00 54.79 53.03 1oty n ASP 14 Cb 0.60 0.00 -0.16 0.00 -1.35 0.00 0.00 41.12 40.21 1oty n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1oty s VAL 15 N -2.00 1.04 -0.09 2.12 1.01 -1.26 -0.36 120.40 120.86 1oty s VAL 15 Ca 0.42 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1oty s VAL 15 Cb 0.19 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1oty s VAL 15 CO 0.32 0.32 -0.02 -0.69 0.00 0.00 0.00 175.10 175.03 1oty s VAL 16 N 0.42 0.60 0.21 2.92 1.01 -0.36 -2.58 120.40 122.62 1oty s VAL 16 Ca -0.09 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 1oty s VAL 16 Cb -0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 1oty s VAL 16 CO 0.02 0.28 0.88 -0.76 0.00 0.00 0.00 175.10 175.51 1oty s LEU 17 N 1.88 4.62 -0.18 3.92 1.02 -0.34 -1.28 118.68 128.32 1oty s LEU 17 Ca 0.05 1.83 -0.04 0.00 0.02 0.00 0.00 54.13 55.99 1oty s LEU 17 Cb -0.13 -3.49 0.06 0.00 0.02 0.00 0.00 46.19 42.65 1oty s LEU 17 CO -0.06 0.18 0.06 -0.04 0.02 0.00 0.00 176.35 176.50 1oty s MET 18 N -1.18 0.37 0.56 1.70 -1.94 0.84 -1.18 119.30 118.47 1oty s MET 18 Ca 0.39 -0.25 -0.01 0.00 -1.71 0.00 0.00 55.69 54.12 1oty s MET 18 Cb -0.25 -1.94 0.03 0.00 2.01 0.00 0.00 34.83 34.68 1oty s MET 18 CO 0.30 -0.64 0.80 -1.25 -0.01 0.00 0.00 175.02 174.21 1oty s PRO 19 N 1.99 2.60 0.11 2.03 0.04 -1.24 -1.49 135.00 139.04 1oty s PRO 19 Ca 0.01 -0.60 -0.05 0.00 0.04 0.00 0.00 61.00 60.40 1oty s PRO 19 Cb -0.16 -2.44 -0.17 0.00 0.04 0.00 0.00 34.50 31.77 1oty s PRO 19 CO -0.08 -0.72 1.23 0.78 0.04 0.00 0.00 177.00 178.25 1oty h GLY 20 N 0.00 0.41 -6.33 0.56 0.00 -1.83 -1.63 103.07 94.25 1oty h GLY 20 Ca -0.43 -0.83 -0.61 0.00 0.00 0.00 0.00 47.33 45.46 1oty h GLY 20 CO 0.55 0.73 0.28 -0.35 0.00 0.00 0.00 176.54 177.75 1oty s ASP 21 N -7.13 6.63 0.40 0.19 2.15 -1.26 -1.85 116.67 115.81 1oty s ASP 21 Ca -0.05 0.70 0.11 0.00 0.43 0.00 0.00 52.55 53.74 1oty s ASP 21 Cb 0.08 -2.37 0.93 0.00 -0.30 0.00 0.00 42.92 41.26 1oty s ASP 21 CO 0.88 -0.48 1.95 1.55 -0.17 0.00 0.00 175.17 178.89 1oty h PRO 22 N 7.97 0.53 -0.12 4.34 0.13 -1.87 0.26 132.00 143.23 1oty h PRO 22 Ca -0.25 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 1oty h PRO 22 Cb 1.11 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1oty h PRO 22 CO 0.83 0.35 -0.15 -0.07 -0.23 0.00 0.00 178.00 178.73 1oty h LEU 23 N 0.54 0.18 -0.92 1.56 3.38 -1.92 -0.98 115.31 117.15 1oty h LEU 23 Ca 0.33 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 1oty h LEU 23 Cb 0.55 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1oty h LEU 23 CO -0.11 0.35 -0.37 -0.09 0.09 0.00 0.00 178.44 178.31 1oty h ARG 24 N 0.19 0.33 -0.39 1.13 9.65 -0.91 -1.92 114.38 122.45 1oty h ARG 24 Ca 0.04 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 1oty h ARG 24 Cb 0.38 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1oty h ARG 24 CO 0.02 0.66 0.13 0.00 2.80 0.00 0.00 179.97 183.58 1oty h ALA 25 N 1.33 0.51 -0.61 2.80 0.00 -0.60 -0.54 119.26 122.15 1oty h ALA 25 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1oty h ALA 25 Cb 0.79 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1oty h ALA 25 CO 0.06 0.14 0.30 -0.22 0.00 0.00 0.00 179.25 179.54 1oty h LYS 26 N 0.48 0.85 -0.49 0.00 3.64 -1.26 0.42 116.57 120.21 1oty h LYS 26 Ca 0.13 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1oty h LYS 26 Cb 0.25 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1oty h LYS 26 CO -0.01 0.65 0.06 -0.92 -2.27 0.00 0.00 179.45 176.96 1oty h TYR 27 N 0.85 0.81 -0.11 1.91 5.03 -0.70 -1.72 116.97 123.04 1oty h TYR 27 Ca 0.21 -0.09 -0.12 0.00 2.58 0.00 0.00 58.73 61.31 1oty h TYR 27 Cb 0.07 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.12 1oty h TYR 27 CO 0.01 0.72 -0.41 0.82 -1.32 0.00 0.00 178.16 177.98 1oty h ILE 28 N 0.74 1.37 -0.35 1.81 1.08 -0.22 -1.86 117.51 120.09 1oty h ILE 28 Ca 0.15 -1.73 0.03 0.00 -0.39 0.00 0.00 64.86 62.93 1oty h ILE 28 Cb 0.37 2.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.23 1oty h ILE 28 CO 0.01 0.51 0.14 0.00 -0.69 0.00 0.00 178.15 178.12 1oty h ALA 29 N 0.49 0.41 0.00 1.87 0.00 -0.75 -0.47 119.26 120.81 1oty h ALA 29 Ca -0.02 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1oty h ALA 29 Cb 1.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1oty h ALA 29 CO 0.09 -0.25 -0.87 0.93 0.00 0.00 0.00 179.25 179.15 1oty h GLU 30 N 0.30 0.00 0.18 0.00 5.08 -1.38 -2.19 114.58 116.57 1oty h GLU 30 Ca 0.15 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.21 1oty h GLU 30 Cb 0.10 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.37 1oty h GLU 30 CO -0.14 0.87 -1.39 1.15 -1.00 0.00 0.00 179.01 178.50 1oty h THR 31 N 0.00 1.36 0.00 1.13 2.02 -1.15 -3.42 112.91 112.85 1oty h THR 31 Ca -0.01 -2.87 0.00 0.00 0.77 0.00 0.00 66.41 64.30 1oty h THR 31 Cb 1.55 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.92 1oty h THR 31 CO 0.11 0.85 -0.91 0.49 0.37 0.00 0.00 175.52 176.43 1oty n PHE 32 N -3.60 0.00 -3.79 3.16 3.01 -0.20 -5.05 117.46 110.99 1oty n PHE 32 Ca -0.13 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.97 1oty n PHE 32 Cb 1.06 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 40.45 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 -2.94 4.39 -0.14 4.37 1.02 -0.82 -4.70 118.68 119.85 1oty s LEU 33 Ca -0.00 0.55 -0.06 0.00 0.02 0.00 0.00 54.13 54.63 1oty s LEU 33 Cb 0.01 -2.46 -0.04 0.00 0.02 0.00 0.00 46.19 43.72 1oty s LEU 33 CO 0.07 0.31 0.09 -1.61 0.02 0.00 0.00 176.35 175.22 1oty s GLU 34 N -1.47 3.54 -1.24 1.70 2.02 -0.20 -4.48 118.70 118.57 1oty s GLU 34 Ca 0.23 -0.26 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 1oty s GLU 34 Cb -0.13 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1oty s GLU 34 CO 0.12 0.59 0.99 -0.25 0.02 0.00 0.00 175.26 176.73 1oty n ASP 35 N 2.56 -2.62 -4.71 -0.19 8.00 -1.26 -2.19 116.55 116.14 1oty n ASP 35 Ca -0.18 -0.63 -0.41 0.00 0.71 0.00 0.00 54.79 54.27 1oty n ASP 35 Cb 0.54 -4.98 -0.04 0.00 -0.02 0.00 0.00 41.12 36.62 1oty n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oty s ALA 36 N -3.39 3.27 -0.04 2.24 0.00 -1.26 -4.53 121.76 118.06 1oty s ALA 36 Ca 0.10 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.46 1oty s ALA 36 Cb -0.04 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1oty s ALA 36 CO 0.74 -0.26 -0.23 -0.98 0.00 0.00 0.00 175.76 175.03 1oty s ARG 37 N 1.13 2.36 -0.00 0.00 1.70 -0.38 -4.92 118.95 118.84 1oty s ARG 37 Ca 0.45 -0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 54.53 1oty s ARG 37 Cb -0.19 -2.15 -0.05 0.00 -0.57 0.00 0.00 34.95 31.98 1oty s ARG 37 CO 0.22 0.50 1.38 -2.00 -1.08 0.00 0.00 175.30 174.32 1oty s GLU 38 N -0.45 4.29 0.00 3.89 2.12 -1.26 -1.81 118.70 125.48 1oty s GLU 38 Ca 0.05 1.94 0.11 0.00 0.36 0.00 0.00 54.97 57.43 1oty s GLU 38 Cb -0.12 -3.56 0.11 0.00 0.26 0.00 0.00 34.13 30.83 1oty s GLU 38 CO 0.01 -0.55 0.89 1.33 -0.54 0.00 0.00 175.26 176.40 1oty n VAL 39 N 4.62 0.08 -3.61 3.70 0.24 0.30 -4.97 118.33 118.70 1oty n VAL 39 Ca 0.13 -0.54 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 1oty n VAL 39 Cb 0.44 1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.96 -0.48 0.00 -1.34 3.84 -1.22 -4.32 114.94 110.46 1oty s ASN 40 Ca 0.14 0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.99 1oty s ASN 40 Cb 0.10 0.74 0.00 0.00 -0.55 0.00 0.00 41.25 41.54 1oty s ASN 40 CO 0.14 -0.27 0.29 -0.46 -2.79 0.00 0.00 177.10 174.02 1oty n ASN 41 N 1.69 0.00 -4.68 -4.21 0.23 -1.26 -1.75 115.26 105.28 1oty n ASN 41 Ca -0.13 -1.00 -0.45 0.00 -0.53 0.00 0.00 54.58 52.48 1oty n ASN 41 Cb 0.56 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.23 1oty n ASN 41 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1oty n VAL 42 N 0.00 0.17 -1.65 3.53 0.31 -1.26 -0.46 118.33 118.96 1oty n VAL 42 Ca 0.00 -0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.10 1oty n VAL 42 Cb 0.44 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.50 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 4.47 -1.41 -1.05 5.55 1.74 -1.26 -1.75 116.66 122.94 1oty n ARG 43 Ca 0.18 1.18 -0.02 0.00 -0.77 0.00 0.00 57.85 58.42 1oty n ARG 43 Cb 0.32 -5.56 -0.01 0.00 -1.02 0.00 0.00 32.46 26.19 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 -0.56 0.45 3.22 -0.13 0.00 0.39 -4.93 105.19 103.64 1oty n GLY 44 Ca -0.20 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.60 3.39 -1.61 1.61 0.00 -0.72 -4.79 117.12 113.40 1oty n MET 45 Ca -0.02 -3.57 -0.50 0.00 0.00 0.00 0.00 57.70 53.61 1oty n MET 45 Cb 0.23 -3.08 -0.05 0.00 0.00 0.00 0.00 33.22 30.32 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 5.44 2.08 -4.14 -0.89 4.77 -1.26 -4.39 117.00 118.62 1oty n LEU 46 Ca 0.41 1.11 -0.21 0.00 -0.03 0.00 0.00 56.01 57.29 1oty n LEU 46 Cb 0.41 -1.27 -0.14 0.00 -2.33 0.00 0.00 43.42 40.09 1oty n LEU 46 CO 0.73 -0.85 -0.47 -0.83 -1.33 0.00 0.00 177.39 174.63 1oty s GLY 47 N 0.53 0.77 0.04 -0.72 0.00 -0.71 -2.76 107.32 104.46 1oty s GLY 47 Ca 0.81 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.79 1oty s GLY 47 CO 0.45 -0.69 -0.05 -1.36 0.00 0.00 0.00 173.10 171.46 1oty s PHE 48 N -0.62 0.51 -0.03 1.90 0.08 0.76 -0.54 117.98 120.05 1oty s PHE 48 Ca 0.04 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.46 1oty s PHE 48 Cb -0.07 -0.33 0.01 0.00 -0.57 0.00 0.00 43.02 42.06 1oty s PHE 48 CO 0.01 -0.18 -0.06 0.99 -0.10 0.00 0.00 175.22 175.87 1oty s THR 49 N -2.06 0.60 0.00 0.64 2.01 -0.75 -0.84 115.64 115.24 1oty s THR 49 Ca -0.07 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1oty s THR 49 Cb -0.05 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1oty s THR 49 CO -0.02 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1oty n GLY 50 N 3.49 3.03 3.08 4.40 0.00 0.19 -1.25 105.19 118.13 1oty n GLY 50 Ca -0.20 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 1oty n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oty s THR 51 N -1.89 0.68 -0.18 2.61 -4.23 -0.93 -0.37 115.64 111.34 1oty s THR 51 Ca 0.00 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1oty s THR 51 Cb 0.00 -0.70 0.04 0.00 1.34 0.00 0.00 72.50 73.17 1oty s THR 51 CO 0.00 -0.27 -0.10 -0.47 -0.54 0.00 0.00 174.62 173.24 1oty s TYR 52 N -1.18 2.20 -1.57 3.99 6.14 0.82 -1.03 117.35 126.72 1oty s TYR 52 Ca -0.06 -1.38 -0.11 0.00 0.64 0.00 0.00 57.07 56.16 1oty s TYR 52 Cb -0.09 -1.56 0.09 0.00 0.42 0.00 0.00 41.96 40.82 1oty s TYR 52 CO 0.01 -0.69 0.67 1.63 0.64 0.00 0.00 175.55 177.81 1oty n LYS 53 N 4.75 -3.53 0.00 4.97 5.02 -1.26 -0.68 118.16 127.43 1oty n LYS 53 Ca -0.15 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1oty n LYS 53 Cb 0.48 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 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 -1.66 2.32 3.80 0.72 0.00 -1.26 -5.03 105.19 104.08 1oty n GLY 54 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1oty n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oty s ARG 55 N -0.29 4.00 0.03 1.61 3.52 0.15 -5.00 118.95 122.96 1oty s ARG 55 Ca 0.00 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.62 1oty s ARG 55 Cb 0.00 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 30.04 1oty s ARG 55 CO 0.00 0.54 1.42 0.21 -0.81 0.00 0.00 175.30 176.66 1oty s LYS 56 N -0.56 4.28 0.01 5.12 2.20 -1.26 -0.12 119.74 129.41 1oty s LYS 56 Ca 0.22 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1oty s LYS 56 Cb -0.15 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 1oty s LYS 56 CO 0.11 -0.56 -0.03 0.42 -0.36 0.00 0.00 175.35 174.93 1oty s ILE 57 N 2.19 0.14 0.22 5.43 -1.09 0.50 -4.72 121.20 123.88 1oty s ILE 57 Ca 0.65 -0.60 0.11 0.00 -2.23 0.00 0.00 60.65 58.58 1oty s ILE 57 Cb -0.33 -0.23 -0.05 0.00 -1.58 0.00 0.00 42.46 40.28 1oty s ILE 57 CO 0.28 -0.29 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.05 1oty s SER 58 N -0.92 3.26 -0.08 3.58 0.01 -1.06 -0.64 113.70 117.85 1oty s SER 58 Ca -0.09 -0.95 -0.05 0.00 1.31 0.00 0.00 55.95 56.17 1oty s SER 58 Cb -0.06 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.96 1oty s SER 58 CO -0.00 0.03 0.20 0.54 0.41 0.00 0.00 173.24 174.41 1oty s VAL 59 N -2.21 -0.03 -0.18 3.43 0.11 -0.02 -1.20 120.40 120.31 1oty s VAL 59 Ca 0.24 0.10 -0.19 0.00 -2.93 0.00 0.00 61.98 59.20 1oty s VAL 59 Cb -0.06 -0.30 0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1oty s VAL 59 CO 0.11 0.04 0.52 -0.32 -3.33 0.00 0.00 175.10 172.11 1oty s MET 60 N 0.77 0.63 0.60 1.54 0.00 -0.33 -0.17 119.30 122.35 1oty s MET 60 Ca -0.06 0.65 -0.17 0.00 0.00 0.00 0.00 55.69 56.11 1oty s MET 60 Cb -0.07 0.31 -0.03 0.00 0.00 0.00 0.00 34.83 35.04 1oty s MET 60 CO -0.04 -0.09 1.12 0.20 0.00 0.00 0.00 175.02 176.20 1oty s GLY 61 N 0.11 2.39 0.00 2.11 0.00 -1.11 -3.61 107.32 107.21 1oty s GLY 61 Ca -0.01 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1oty s GLY 61 CO 0.01 1.03 0.78 -2.39 0.00 0.00 0.00 173.10 172.53 1oty n HIS 62 N -1.84 0.00 -0.55 1.90 1.44 -0.61 -4.89 115.22 110.66 1oty n HIS 62 Ca 0.11 -0.29 0.07 0.00 -2.01 0.00 0.00 57.72 55.61 1oty n HIS 62 Cb 0.51 -0.03 -0.02 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.29 -1.54 3.72 -1.39 0.00 -0.77 -2.62 105.19 102.30 1oty n GLY 63 Ca 0.00 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.51 4.21 0.00 1.61 1.00 -1.26 -4.64 119.30 118.70 1oty s MET 64 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 55.69 55.61 1oty s MET 64 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 34.83 31.40 1oty s MET 64 CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 175.02 175.68 1oty n GLY 65 N 3.53 2.49 0.23 -0.03 0.00 -1.24 -4.48 105.19 105.68 1oty n GLY 65 Ca -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 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 0.98 -0.64 -0.61 2.04 -1.66 -1.27 117.51 116.35 1oty h ILE 66 Ca 0.00 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1oty h ILE 66 Cb 0.00 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1oty h ILE 66 CO 0.00 0.11 0.43 -0.65 0.00 0.00 0.00 178.15 178.04 1oty h PRO 67 N 0.62 0.77 0.32 2.37 0.11 -1.89 -0.94 132.00 133.35 1oty h PRO 67 Ca 0.25 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1oty h PRO 67 Cb 0.13 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1oty h PRO 67 CO -0.15 0.51 -0.15 1.03 -0.21 0.00 0.00 178.00 179.02 1oty h SER 68 N 0.80 -0.36 0.30 -2.05 0.87 -1.60 -3.22 113.55 108.28 1oty h SER 68 Ca 0.25 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1oty h SER 68 Cb 0.03 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1oty h SER 68 CO -0.07 0.11 -0.04 0.00 -0.53 0.00 0.00 176.83 176.31 1oty h SER 70 N 0.00 0.82 0.62 0.00 0.02 -1.23 -1.72 113.55 112.05 1oty h SER 70 Ca -0.00 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 1oty h SER 70 Cb 0.19 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.52 1oty h SER 70 CO 0.00 0.99 -0.30 0.40 -1.14 0.00 0.00 176.83 176.79 1oty h ILE 71 N 0.63 0.36 0.02 3.27 2.04 -1.47 -2.39 117.51 119.98 1oty h ILE 71 Ca 0.11 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1oty h ILE 71 Cb 0.63 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1oty h ILE 71 CO 0.04 0.02 -0.07 1.88 0.00 0.00 0.00 178.15 180.02 1oty h TYR 72 N -0.91 -0.18 -0.64 1.37 0.05 -1.54 -1.08 116.97 114.04 1oty h TYR 72 Ca -0.08 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 1oty h TYR 72 Cb 0.66 0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.45 1oty h TYR 72 CO -0.02 -0.11 0.24 1.79 -1.05 0.00 0.00 178.16 179.01 1oty h THR 73 N -0.14 1.23 -0.24 -2.88 1.35 -1.40 -0.77 112.91 110.07 1oty h THR 73 Ca 0.02 -0.74 -0.02 0.00 -0.55 0.00 0.00 66.41 65.12 1oty h THR 73 Cb 0.16 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1oty h THR 73 CO -0.06 0.29 0.08 0.50 -0.25 0.00 0.00 175.52 176.09 1oty h LYS 74 N 0.93 0.37 -0.08 4.72 3.11 -1.19 -0.58 116.57 123.84 1oty h LYS 74 Ca 0.22 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.94 1oty h LYS 74 Cb 0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1oty h LYS 74 CO -0.02 0.43 -0.15 0.93 -2.81 0.00 0.00 179.45 177.83 1oty h GLU 75 N 0.23 0.12 -0.12 1.90 5.08 -0.87 -0.80 114.58 120.12 1oty h GLU 75 Ca 0.08 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1oty h GLU 75 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1oty h GLU 75 CO -0.00 0.28 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.88 1oty h LEU 76 N 0.12 0.50 -0.24 1.33 3.38 -0.78 -2.25 115.31 117.37 1oty h LEU 76 Ca 0.02 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 1oty h LEU 76 Cb 0.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1oty h LEU 76 CO 0.02 1.00 -0.12 0.40 0.09 0.00 0.00 178.44 179.83 1oty h ILE 77 N 0.01 1.30 0.00 1.22 2.04 -0.84 -1.94 117.51 119.31 1oty h ILE 77 Ca -0.01 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1oty h ILE 77 Cb 0.95 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1oty h ILE 77 CO 0.07 0.37 -0.71 0.71 0.00 0.00 0.00 178.15 178.59 1oty h THR 78 N 0.22 0.00 0.00 -0.27 1.35 -1.26 -3.36 112.91 109.59 1oty h THR 78 Ca 0.05 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1oty h THR 78 Cb 0.62 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1oty h THR 78 CO 0.04 0.00 -0.30 0.47 -0.25 0.00 0.00 175.52 175.48 1oty n ASP 79 N -2.77 1.48 -0.10 5.36 9.92 -0.85 -4.77 116.55 124.82 1oty n ASP 79 Ca 0.01 -0.32 0.08 0.00 -0.53 0.00 0.00 54.79 54.04 1oty n ASP 79 Cb 0.54 0.93 0.12 0.00 -0.64 0.00 0.00 41.12 42.07 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 -1.08 0.00 -1.72 1.24 3.01 -0.77 -4.62 117.46 113.53 1oty n PHE 80 Ca 0.00 -0.88 -0.19 0.00 1.01 0.00 0.00 57.45 57.39 1oty n PHE 80 Cb 0.00 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.27 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 -1.26 1.33 3.70 1.37 0.00 -1.18 -4.68 105.19 104.48 1oty n GLY 81 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.66 3.87 -0.26 1.61 1.01 -0.97 -4.68 120.40 118.33 1oty s VAL 82 Ca 0.00 1.31 0.17 0.00 0.00 0.00 0.00 61.98 63.46 1oty s VAL 82 Cb 0.00 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 32.30 1oty s VAL 82 CO 0.00 0.06 0.48 0.29 0.00 0.00 0.00 175.10 175.93 1oty n LYS 83 N 4.45 0.82 -3.89 2.72 5.02 0.52 -4.37 118.16 123.41 1oty n LYS 83 Ca 0.11 -0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 1oty n LYS 83 Cb 0.45 -1.37 -0.13 0.00 -0.02 0.00 0.00 35.03 33.96 1oty n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1oty s LYS 84 N -3.01 0.09 -0.05 1.97 1.02 -0.57 -1.78 119.74 117.41 1oty s LYS 84 Ca -0.02 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1oty s LYS 84 Cb 0.11 0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1oty s LYS 84 CO 0.71 -0.02 -0.04 0.42 -0.92 0.00 0.00 175.35 175.50 1oty s ILE 85 N -0.34 0.53 -0.29 2.17 1.01 -0.36 -1.23 121.20 122.69 1oty s ILE 85 Ca -0.04 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1oty s ILE 85 Cb -0.02 -0.58 0.07 0.00 0.01 0.00 0.00 42.46 41.94 1oty s ILE 85 CO -0.00 0.24 -0.05 -0.63 0.00 0.00 0.00 174.94 174.50 1oty s ILE 86 N 1.14 2.23 0.10 2.92 1.01 -0.41 -0.89 121.20 127.32 1oty s ILE 86 Ca -0.07 -1.88 -0.30 0.00 0.00 0.00 0.00 60.65 58.39 1oty s ILE 86 Cb -0.14 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.83 1oty s ILE 86 CO -0.01 -0.23 1.11 -0.60 0.00 0.00 0.00 174.94 175.20 1oty s ARG 87 N 1.04 4.54 -0.31 2.79 3.52 0.12 -0.11 118.95 130.53 1oty s ARG 87 Ca -0.02 1.67 0.02 0.00 -0.13 0.00 0.00 55.73 57.27 1oty s ARG 87 Cb -0.20 -3.34 0.09 0.00 -1.56 0.00 0.00 34.95 29.95 1oty s ARG 87 CO -0.06 -0.05 0.04 0.14 -0.81 0.00 0.00 175.30 174.56 1oty s VAL 88 N 0.43 1.62 0.00 7.11 -7.23 -0.55 -0.67 120.40 121.12 1oty s VAL 88 Ca 0.53 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1oty s VAL 88 Cb -0.28 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1oty s VAL 88 CO 0.31 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1oty n GLY 89 N 4.55 5.37 3.35 2.32 0.00 -0.51 -3.99 105.19 116.28 1oty n GLY 89 Ca -0.02 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 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 1.00 3.04 0.12 1.61 1.04 -1.26 -2.36 113.70 116.89 1oty s SER 90 Ca 0.00 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1oty s SER 90 Cb 0.00 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1oty s SER 90 CO 0.00 0.13 -0.01 0.00 0.98 0.00 0.00 173.24 174.35 1oty s GLY 92 N -3.06 2.27 0.39 0.00 0.00 0.10 -2.60 107.32 104.42 1oty s GLY 92 Ca 0.18 -0.50 -0.21 0.00 0.00 0.00 0.00 44.72 44.19 1oty s GLY 92 CO -0.01 -0.22 0.91 0.00 0.00 0.00 0.00 173.10 173.77 1oty s ALA 93 N -1.09 3.12 0.00 3.20 0.00 0.88 -0.15 121.76 127.72 1oty s ALA 93 Ca 0.20 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1oty s ALA 93 Cb -0.14 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1oty s ALA 93 CO 0.09 0.17 0.00 1.33 0.00 0.00 0.00 175.76 177.35 1oty n VAL 94 N -0.42 0.00 -2.87 0.00 0.24 -1.26 -1.85 118.33 112.17 1oty n VAL 94 Ca 0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.95 1oty n VAL 94 Cb 0.53 -0.38 -0.04 0.00 -1.47 0.00 0.00 33.84 32.48 1oty n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1oty s LEU 95 N -3.17 4.40 0.21 1.34 1.43 -1.26 -4.69 118.68 116.94 1oty s LEU 95 Ca 0.00 1.51 -0.09 0.00 -1.03 0.00 0.00 54.13 54.52 1oty s LEU 95 Cb 0.00 -3.36 0.26 0.00 0.03 0.00 0.00 46.19 43.12 1oty s LEU 95 CO 0.00 -0.12 1.80 -0.65 0.23 0.00 0.00 176.35 177.61 1oty h PRO 96 N 6.30 0.64 0.00 1.29 0.11 -1.97 -2.59 132.00 135.79 1oty h PRO 96 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1oty h PRO 96 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1oty h PRO 96 CO 0.74 0.42 0.00 1.12 -0.21 0.00 0.00 178.00 180.07 1oty h HIS 97 N 0.66 0.00 -3.14 0.65 2.07 -2.03 -3.41 115.15 109.95 1oty h HIS 97 Ca 0.31 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 57.27 1oty h HIS 97 Cb 0.23 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.13 1oty h HIS 97 CO -0.09 0.00 0.90 0.08 -3.07 0.00 0.00 177.93 175.75 1oty s VAL 98 N -3.34 4.08 0.68 6.12 1.01 -0.98 -5.00 120.40 122.96 1oty s VAL 98 Ca 0.04 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 62.71 1oty s VAL 98 Cb 0.09 -4.70 0.06 0.00 0.00 0.00 0.00 36.38 31.83 1oty s VAL 98 CO 0.44 -1.33 0.97 -0.54 0.00 0.00 0.00 175.10 174.64 1oty s LYS 99 N 4.79 2.22 0.84 2.72 -0.14 -1.26 -4.88 119.74 124.04 1oty s LYS 99 Ca 0.40 -0.39 -0.11 0.00 -1.36 0.00 0.00 55.97 54.51 1oty s LYS 99 Cb -0.09 -2.23 0.10 0.00 -1.68 0.00 0.00 37.83 33.93 1oty s LYS 99 CO 0.23 -1.16 1.10 -0.51 -0.76 0.00 0.00 175.35 174.25 1oty s LEU 100 N -5.16 2.73 -1.90 3.17 2.01 -1.26 -3.15 118.68 115.12 1oty s LEU 100 Ca 0.60 1.81 0.00 0.00 0.01 0.00 0.00 54.13 56.55 1oty s LEU 100 Cb -0.10 -4.34 0.00 0.00 0.01 0.00 0.00 46.19 41.75 1oty s LEU 100 CO 0.44 -2.47 0.00 0.54 1.01 0.00 0.00 176.35 175.86 1oty n ARG 101 N -3.80 -1.55 -3.84 1.70 1.74 -1.23 -4.96 116.66 104.72 1oty n ARG 101 Ca 0.09 1.08 -0.35 0.00 -0.77 0.00 0.00 57.85 57.90 1oty n ARG 101 Cb 0.53 -5.61 -0.09 0.00 -1.02 0.00 0.00 32.46 26.28 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 -2.35 5.96 -0.17 0.55 -0.00 -1.19 -4.97 116.67 114.50 1oty s ASP 102 Ca 0.00 0.16 -0.23 0.00 -0.00 0.00 0.00 52.55 52.48 1oty s ASP 102 Cb 0.00 -2.04 -0.02 0.00 -0.00 0.00 0.00 42.92 40.86 1oty s ASP 102 CO 0.00 0.17 0.73 -0.69 -0.00 0.00 0.00 175.17 175.38 1oty s VAL 103 N 0.40 4.96 -0.15 -1.27 1.01 -1.25 -3.16 120.40 120.94 1oty s VAL 103 Ca 0.06 1.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 1oty s VAL 103 Cb -0.12 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1oty s VAL 103 CO -0.01 0.08 -0.03 -0.69 0.00 0.00 0.00 175.10 174.45 1oty s VAL 104 N 1.93 3.95 -0.21 2.92 1.01 0.26 -1.34 120.40 128.92 1oty s VAL 104 Ca 0.34 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1oty s VAL 104 Cb -0.16 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1oty s VAL 104 CO 0.12 0.51 -0.10 -0.63 0.00 0.00 0.00 175.10 174.99 1oty s ILE 105 N 0.20 2.90 -0.93 2.22 1.01 -0.02 0.38 121.20 126.97 1oty s ILE 105 Ca -0.02 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 1oty s ILE 105 Cb -0.14 -2.29 0.09 0.00 0.01 0.00 0.00 42.46 40.13 1oty s ILE 105 CO 0.03 0.47 1.25 -0.83 0.00 0.00 0.00 174.94 175.85 1oty s GLY 106 N 1.40 1.54 0.42 6.18 0.00 -0.40 -2.03 107.32 114.43 1oty s GLY 106 Ca 0.05 -2.38 0.15 0.00 0.00 0.00 0.00 44.72 42.54 1oty s GLY 106 CO -0.07 2.33 1.91 1.98 0.00 0.00 0.00 173.10 179.26 1oty h MET 107 N 9.37 0.00 -4.15 2.90 4.05 -1.44 -3.39 114.93 122.27 1oty h MET 107 Ca 0.10 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.37 1oty h MET 107 Cb 1.02 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.70 1oty h MET 107 CO 1.26 0.27 -0.42 0.20 0.23 0.00 0.00 176.91 178.44 1oty s GLY 108 N -4.25 0.88 -0.14 1.39 0.00 -1.13 -1.37 107.32 102.71 1oty s GLY 108 Ca -0.03 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.40 1oty s GLY 108 CO 0.70 -1.05 0.28 0.00 0.00 0.00 0.00 173.10 173.02 1oty s ALA 109 N -4.05 -0.64 0.73 3.20 0.00 -0.24 -1.70 121.76 119.06 1oty s ALA 109 Ca 0.26 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1oty s ALA 109 Cb 0.04 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.19 1oty s ALA 109 CO 0.06 -0.59 1.10 0.00 0.00 0.00 0.00 175.76 176.34 1oty s THR 111 N -3.39 0.01 -0.12 0.00 -1.32 -1.26 -0.19 115.64 109.36 1oty s THR 111 Ca 0.59 -0.05 0.21 0.00 -1.21 0.00 0.00 61.69 61.22 1oty s THR 111 Cb -0.11 -1.01 -0.21 0.00 -1.51 0.00 0.00 72.50 69.66 1oty s THR 111 CO 0.50 -0.03 0.62 -0.67 -2.21 0.00 0.00 174.62 172.83 1oty n ASP 112 N -0.18 0.36 -4.78 8.08 4.64 -1.07 -4.98 116.55 118.62 1oty n ASP 112 Ca -0.17 0.15 -0.31 0.00 -1.38 0.00 0.00 54.79 53.07 1oty n ASP 112 Cb 0.64 1.16 0.08 0.00 -1.04 0.00 0.00 41.12 41.96 1oty n ASP 112 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1oty s SER 113 N -5.08 4.64 0.00 1.67 0.15 -1.26 -4.88 113.70 108.94 1oty s SER 113 Ca -0.06 1.79 0.18 0.00 0.70 0.00 0.00 55.95 58.57 1oty s SER 113 Cb 0.11 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 62.02 1oty s SER 113 CO 0.85 -1.94 1.05 1.17 1.20 0.00 0.00 173.24 175.57 1oty n LYS 114 N -3.45 1.55 -0.36 5.44 4.81 -1.26 -4.66 118.16 120.23 1oty n LYS 114 Ca 0.09 -1.46 -0.01 0.00 -0.87 0.00 0.00 58.31 56.06 1oty n LYS 114 Cb 0.53 -1.34 0.13 0.00 0.02 0.00 0.00 35.03 34.36 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 3.30 1.19 0.00 3.15 -1.51 -2.00 -1.28 116.25 119.10 1oty h VAL 115 Ca 0.00 -0.43 -0.09 0.00 -1.23 0.00 0.00 66.70 64.95 1oty h VAL 115 Cb 0.73 -0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 1oty h VAL 115 CO 0.00 0.23 -0.43 0.78 -1.23 0.00 0.00 177.57 176.91 1oty h ASN 116 N 1.26 0.00 0.16 4.19 2.35 -1.93 -2.42 115.58 119.19 1oty h ASN 116 Ca 0.38 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.97 1oty h ASN 116 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1oty h ASN 116 CO -0.11 0.43 -0.60 0.03 -1.65 0.00 0.00 177.43 175.54 1oty h ARG 117 N 0.00 0.44 -0.53 0.81 3.08 -1.65 0.22 114.38 116.75 1oty h ARG 117 Ca -0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1oty h ARG 117 Cb 1.00 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1oty h ARG 117 CO 0.06 0.91 0.33 0.82 -1.07 0.00 0.00 179.97 181.02 1oty h ILE 118 N 0.33 1.15 -0.14 2.04 1.08 -0.96 0.16 117.51 121.16 1oty h ILE 118 Ca -0.00 -0.30 -0.16 0.00 -0.39 0.00 0.00 64.86 64.00 1oty h ILE 118 Cb 1.14 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1oty h ILE 118 CO 0.11 0.15 -0.58 0.03 -0.69 0.00 0.00 178.15 177.16 1oty h ARG 119 N 0.71 0.47 -0.93 2.37 3.08 -1.14 -3.36 114.38 115.57 1oty h ARG 119 Ca 0.19 -0.31 -0.64 0.00 0.07 0.00 0.00 59.98 59.29 1oty h ARG 119 Cb -0.05 0.04 -0.32 0.00 0.08 0.00 0.00 29.97 29.72 1oty h ARG 119 CO -0.04 0.92 0.48 0.34 -1.07 0.00 0.00 179.97 180.60 1oty n PHE 120 N -3.93 3.09 -3.59 3.04 7.35 0.74 -4.91 117.46 119.25 1oty n PHE 120 Ca -0.03 -2.80 -0.27 0.00 -0.76 0.00 0.00 57.45 53.59 1oty n PHE 120 Cb 0.62 -1.18 0.01 0.00 0.35 0.00 0.00 39.48 39.27 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 -0.89 -4.12 -1.32 -4.13 4.76 -1.15 -0.91 118.16 110.40 1oty n LYS 121 Ca 0.58 0.54 -0.11 0.00 -2.87 0.00 0.00 58.31 56.45 1oty n LYS 121 Cb 0.77 -5.32 -0.05 0.00 -1.84 0.00 0.00 35.03 28.59 1oty n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1oty n ASP 122 N -2.51 -4.75 -3.42 4.39 4.64 0.53 -5.00 116.55 110.43 1oty n ASP 122 Ca 0.00 0.28 -0.09 0.00 -1.38 0.00 0.00 54.79 53.60 1oty n ASP 122 Cb 0.54 -3.23 0.03 0.00 -1.04 0.00 0.00 41.12 37.42 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 -2.54 -2.64 -3.11 -0.67 8.25 -0.09 -5.01 115.22 109.41 1oty n HIS 123 Ca -0.11 -1.02 -0.43 0.00 -0.26 0.00 0.00 57.72 55.89 1oty n HIS 123 Cb 0.43 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.74 6.32 -0.26 0.41 1.11 -1.26 -4.59 116.67 115.67 1oty s ASP 124 Ca 0.29 -0.34 -0.11 0.00 0.18 0.00 0.00 52.55 52.57 1oty s ASP 124 Cb -0.02 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.60 1oty s ASP 124 CO 0.19 -0.77 0.20 0.12 1.18 0.00 0.00 175.17 176.09 1oty s PHE 125 N 2.81 3.28 -0.63 4.23 5.36 -1.26 -5.03 117.98 126.73 1oty s PHE 125 Ca 0.22 0.22 -0.27 0.00 -0.96 0.00 0.00 56.93 56.14 1oty s PHE 125 Cb -0.14 -2.35 0.03 0.00 -0.34 0.00 0.00 43.02 40.22 1oty s PHE 125 CO 0.19 -0.05 1.19 0.00 -1.46 0.00 0.00 175.22 175.09 1oty s ALA 126 N 1.43 2.94 -0.50 11.12 0.00 -1.26 -4.96 121.76 130.53 1oty s ALA 126 Ca 0.09 -1.07 -0.28 0.00 0.00 0.00 0.00 51.96 50.69 1oty s ALA 126 Cb -0.15 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1oty s ALA 126 CO 0.08 -2.83 1.53 0.00 0.00 0.00 0.00 175.76 174.53 1oty s ALA 127 N 5.07 2.79 0.21 0.00 0.00 -1.26 -4.98 121.76 123.58 1oty s ALA 127 Ca 0.38 -0.40 0.10 0.00 0.00 0.00 0.00 51.96 52.04 1oty s ALA 127 Cb -0.08 -4.08 -0.05 0.00 0.00 0.00 0.00 23.12 18.91 1oty s ALA 127 CO 0.21 -2.89 -0.20 0.96 0.00 0.00 0.00 175.76 173.85 1oty s ILE 128 N 6.44 2.10 0.91 0.00 -4.36 -1.26 -1.08 121.20 123.95 1oty s ILE 128 Ca 0.61 -2.11 -0.14 0.00 -0.26 0.00 0.00 60.65 58.75 1oty s ILE 128 Cb -0.13 -2.05 0.16 0.00 1.25 0.00 0.00 42.46 41.68 1oty s ILE 128 CO 0.28 -0.33 1.26 0.00 0.24 0.00 0.00 174.94 176.39 1oty s ALA 129 N -2.21 2.43 -0.02 2.27 0.00 -0.47 -4.86 121.76 118.91 1oty s ALA 129 Ca 0.21 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 1oty s ALA 129 Cb -0.05 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1oty s ALA 129 CO 0.09 -2.17 0.91 0.34 0.00 0.00 0.00 175.76 174.93 1oty s ASP 130 N -4.80 7.27 0.16 0.00 -1.08 -0.80 -4.96 116.67 112.46 1oty s ASP 130 Ca 0.70 1.54 -0.16 0.00 -0.52 0.00 0.00 52.55 54.11 1oty s ASP 130 Cb -0.06 -2.53 0.09 0.00 -1.46 0.00 0.00 42.92 38.96 1oty s ASP 130 CO 0.51 -0.23 1.73 0.15 0.52 0.00 0.00 175.17 177.86 1oty h PHE 131 N 6.80 0.15 -0.80 -5.34 3.57 -1.95 -2.08 116.94 117.29 1oty h PHE 131 Ca -0.41 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.15 1oty h PHE 131 Cb 1.21 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.89 1oty h PHE 131 CO 0.67 0.03 0.50 -0.44 -2.23 0.00 0.00 178.31 176.84 1oty h ASP 132 N 0.22 0.81 -0.46 0.41 3.32 -1.99 -0.41 116.42 118.32 1oty h ASP 132 Ca 0.18 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1oty h ASP 132 Cb 0.21 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1oty h ASP 132 CO -0.23 0.55 0.12 0.24 -1.72 0.00 0.00 179.24 178.20 1oty h MET 133 N 0.96 0.80 -0.09 3.56 2.86 -1.87 0.22 114.93 121.37 1oty h MET 133 Ca 0.33 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1oty h MET 133 Cb 0.06 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1oty h MET 133 CO -0.13 0.73 0.02 0.28 1.06 0.00 0.00 176.91 178.86 1oty h VAL 134 N 0.77 1.21 -0.43 -2.22 2.07 -0.66 -1.57 116.25 115.42 1oty h VAL 134 Ca 0.17 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1oty h VAL 134 Cb 0.29 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1oty h VAL 134 CO -0.00 0.18 0.26 -0.09 0.02 0.00 0.00 177.57 177.94 1oty h ARG 135 N -0.08 0.51 -0.87 1.57 2.43 -0.61 -0.54 114.38 116.79 1oty h ARG 135 Ca 0.03 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1oty h ARG 135 Cb 0.27 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1oty h ARG 135 CO 0.00 0.33 0.54 -0.91 -1.51 0.00 0.00 179.97 178.43 1oty h ASN 136 N 0.52 0.85 -0.31 -3.80 2.35 -0.49 -0.48 115.58 114.23 1oty h ASN 136 Ca 0.17 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1oty h ASN 136 Cb 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1oty h ASN 136 CO -0.07 0.55 0.10 0.00 -1.65 0.00 0.00 177.43 176.35 1oty h ALA 137 N 1.41 0.40 -0.58 -0.83 0.00 -0.53 0.13 119.26 119.27 1oty h ALA 137 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1oty h ALA 137 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1oty h ALA 137 CO -0.17 0.03 0.32 0.28 0.00 0.00 0.00 179.25 179.71 1oty h VAL 138 N 0.34 1.19 -0.39 0.00 2.07 -0.59 -0.02 116.25 118.85 1oty h VAL 138 Ca 0.10 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 1oty h VAL 138 Cb 0.24 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1oty h VAL 138 CO -0.00 0.20 -0.22 0.44 0.02 0.00 0.00 177.57 178.01 1oty h ASP 139 N 0.78 0.78 -0.37 0.57 3.45 -0.97 -0.91 116.42 119.75 1oty h ASP 139 Ca 0.20 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 1oty h ASP 139 Cb 0.04 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 1oty h ASP 139 CO -0.03 0.98 0.03 0.00 -1.57 0.00 0.00 179.24 178.65 1oty h ALA 140 N 1.08 0.49 -0.81 3.45 0.00 -0.65 -0.38 119.26 122.44 1oty h ALA 140 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1oty h ALA 140 Cb 0.73 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1oty h ALA 140 CO 0.06 0.23 0.43 0.00 0.00 0.00 0.00 179.25 179.96 1oty h ALA 141 N 0.89 1.22 0.12 0.00 0.00 -0.82 -2.18 119.26 118.49 1oty h ALA 141 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1oty h ALA 141 Cb 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1oty h ALA 141 CO 0.01 0.62 -0.06 -0.22 0.00 0.00 0.00 179.25 179.60 1oty h LYS 142 N 1.14 -0.16 -0.21 0.00 3.64 -0.79 0.24 116.57 120.43 1oty h LYS 142 Ca 0.28 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.74 1oty h LYS 142 Cb 0.06 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1oty h LYS 142 CO -0.04 -0.06 0.23 0.00 -2.27 0.00 0.00 179.45 177.30 1oty h ALA 143 N 0.66 1.84 -0.30 5.00 0.00 -0.73 0.36 119.26 126.09 1oty h ALA 143 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1oty h ALA 143 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1oty h ALA 143 CO 0.03 -0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1oty n LEU 144 N -3.80 2.72 -1.60 0.00 4.77 -0.77 -4.95 117.00 113.38 1oty n LEU 144 Ca 0.02 -1.17 -0.15 0.00 -0.03 0.00 0.00 56.01 54.69 1oty n LEU 144 Cb 0.36 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1oty n LEU 144 CO 0.27 0.58 -0.18 0.61 -1.33 0.00 0.00 177.39 177.35 1oty n GLY 145 N 1.35 -0.03 3.58 -0.72 0.00 0.13 -5.00 105.19 104.49 1oty n GLY 145 Ca 0.18 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.70 4.00 -0.48 -0.61 1.01 0.76 -5.00 121.20 118.18 1oty s ILE 146 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.06 1oty s ILE 146 Cb 0.00 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.80 1oty s ILE 146 CO 0.00 0.56 0.89 -1.81 0.00 0.00 0.00 174.94 174.57 1oty s ASP 147 N -0.36 6.43 -0.12 3.58 1.01 -1.26 -4.02 116.67 121.92 1oty s ASP 147 Ca 0.06 -0.09 -0.04 0.00 0.71 0.00 0.00 52.55 53.19 1oty s ASP 147 Cb -0.12 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1oty s ASP 147 CO 0.02 -1.06 0.05 0.00 0.21 0.00 0.00 175.17 174.39 1oty s ALA 148 N 3.66 3.45 -0.21 5.23 0.00 -1.26 -3.85 121.76 128.78 1oty s ALA 148 Ca 0.33 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 1oty s ALA 148 Cb -0.11 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1oty s ALA 148 CO 0.23 0.50 0.09 1.03 0.00 0.00 0.00 175.76 177.61 1oty s ARG 149 N -0.62 3.91 -0.17 0.00 0.52 -0.45 -4.98 118.95 117.16 1oty s ARG 149 Ca 0.11 -0.36 -0.05 0.00 -0.52 0.00 0.00 55.73 54.90 1oty s ARG 149 Cb -0.12 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1oty s ARG 149 CO 0.02 0.11 0.01 0.08 0.02 0.00 0.00 175.30 175.54 1oty s VAL 150 N 0.85 4.28 0.00 3.52 1.01 -1.26 -0.84 120.40 127.96 1oty s VAL 150 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1oty s VAL 150 Cb -0.13 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1oty s VAL 150 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1oty n GLY 151 N 3.60 1.01 3.81 4.51 0.00 -0.86 -4.94 105.19 112.33 1oty n GLY 151 Ca -0.17 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 2.00 6.73 0.35 1.61 0.02 -1.26 -1.12 114.94 123.27 1oty s ASN 152 Ca 0.00 0.87 0.08 0.00 -1.02 0.00 0.00 52.86 52.79 1oty s ASN 152 Cb 0.00 -2.24 -0.04 0.00 0.02 0.00 0.00 41.25 38.99 1oty s ASN 152 CO 0.00 0.26 0.20 -0.76 0.02 0.00 0.00 177.10 176.82 1oty s LEU 153 N -0.69 3.34 -0.15 0.60 1.43 -0.69 -0.14 118.68 122.39 1oty s LEU 153 Ca 0.23 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1oty s LEU 153 Cb -0.16 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1oty s LEU 153 CO 0.11 -0.36 -0.13 0.12 0.23 0.00 0.00 176.35 176.32 1oty s PHE 154 N -2.41 2.14 -0.46 0.29 5.36 0.50 0.01 117.98 123.40 1oty s PHE 154 Ca 0.40 -1.23 -0.18 0.00 -0.96 0.00 0.00 56.93 54.96 1oty s PHE 154 Cb -0.03 -1.57 0.04 0.00 -0.34 0.00 0.00 43.02 41.13 1oty s PHE 154 CO 0.24 -0.67 0.51 -1.12 -1.46 0.00 0.00 175.22 172.72 1oty s SER 155 N 1.50 6.20 0.13 6.13 0.01 0.73 -0.63 113.70 127.78 1oty s SER 155 Ca 0.04 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 56.39 1oty s SER 155 Cb -0.13 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1oty s SER 155 CO -0.10 -0.72 0.36 0.00 0.41 0.00 0.00 173.24 173.19 1oty s ALA 156 N 2.26 3.80 -0.03 1.44 0.00 0.37 -2.61 121.76 126.99 1oty s ALA 156 Ca 0.12 -0.57 0.11 0.00 0.00 0.00 0.00 51.96 51.62 1oty s ALA 156 Cb -0.19 -2.11 -0.23 0.00 0.00 0.00 0.00 23.12 20.59 1oty s ALA 156 CO 0.12 0.68 0.70 -0.44 0.00 0.00 0.00 175.76 176.82 1oty h ASP 157 N 2.90 0.03 -3.63 0.00 3.45 -1.90 -3.41 116.42 113.87 1oty h ASP 157 Ca -0.46 -0.06 -0.69 0.00 0.43 0.00 0.00 57.03 56.24 1oty h ASP 157 Cb 1.17 -0.01 -0.31 0.00 -0.56 0.00 0.00 39.33 39.61 1oty h ASP 157 CO 0.72 1.06 -0.60 -0.76 -1.57 0.00 0.00 179.24 178.09 1oty s LEU 158 N -6.21 4.53 0.41 1.55 1.43 -1.26 -4.92 118.68 114.21 1oty s LEU 158 Ca -0.05 -1.46 0.11 0.00 -1.03 0.00 0.00 54.13 51.70 1oty s LEU 158 Cb 0.08 -1.82 0.88 0.00 0.03 0.00 0.00 46.19 45.36 1oty s LEU 158 CO 0.82 -0.39 1.96 0.15 0.23 0.00 0.00 176.35 179.13 1oty h PHE 159 N 8.13 0.18 -3.32 0.29 3.04 -1.97 -3.09 116.94 120.19 1oty h PHE 159 Ca -0.20 -0.02 -0.70 0.00 3.98 0.00 0.00 57.97 61.03 1oty h PHE 159 Cb 1.07 -0.05 -0.36 0.00 2.56 0.00 0.00 35.95 39.17 1oty h PHE 159 CO 0.59 0.29 -0.12 0.71 -2.02 0.00 0.00 178.31 177.76 1oty s TYR 160 N -4.79 3.87 0.22 0.41 2.02 -1.26 -5.07 117.35 112.75 1oty s TYR 160 Ca -0.05 -3.02 -0.28 0.00 -0.37 0.00 0.00 57.07 53.35 1oty s TYR 160 Cb 0.16 -3.23 -0.09 0.00 -0.40 0.00 0.00 41.96 38.40 1oty s TYR 160 CO 0.72 -0.74 0.89 -1.54 -1.57 0.00 0.00 175.55 173.31 1oty s SER 161 N -0.13 7.53 0.18 2.29 1.04 -1.17 -4.96 113.70 118.48 1oty s SER 161 Ca 0.27 1.84 0.26 0.00 0.48 0.00 0.00 55.95 58.79 1oty s SER 161 Cb -0.08 -2.57 0.90 0.00 0.10 0.00 0.00 66.02 64.37 1oty s SER 161 CO -0.12 0.16 1.78 -0.81 0.98 0.00 0.00 173.24 175.23 1oty n PRO 162 N 1.43 0.21 -3.73 4.02 -0.04 -1.26 -4.60 135.00 131.03 1oty n PRO 162 Ca -0.03 0.21 -0.38 0.00 -0.04 0.00 0.00 63.50 63.26 1oty n PRO 162 Cb 0.48 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 1oty n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1oty s ASP 163 N -4.21 5.36 0.03 3.54 1.01 -1.26 -4.93 116.67 116.21 1oty s ASP 163 Ca 0.10 -1.33 0.25 0.00 0.71 0.00 0.00 52.55 52.28 1oty s ASP 163 Cb 0.13 -1.88 0.46 0.00 1.01 0.00 0.00 42.92 42.64 1oty s ASP 163 CO 0.55 -0.40 1.39 0.61 0.21 0.00 0.00 175.17 177.53 1oty n GLY 164 N 4.80 -1.30 0.27 0.21 0.00 -1.26 -3.70 105.19 104.21 1oty n GLY 164 Ca -0.11 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 45.77 1oty n GLY 164 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1oty h GLU 165 N 0.00 0.00 -0.12 1.61 3.07 -1.98 -2.78 114.58 114.38 1oty h GLU 165 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1oty h GLU 165 Cb 0.58 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1oty h GLU 165 CO 0.00 0.00 -0.19 1.98 -1.40 0.00 0.00 179.01 179.40 1oty h MET 166 N 0.00 0.20 -0.41 2.33 4.05 -2.00 -2.69 114.93 116.41 1oty h MET 166 Ca 0.00 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1oty h MET 166 Cb 0.51 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 1oty h MET 166 CO 0.00 0.39 0.03 0.74 0.23 0.00 0.00 176.91 178.29 1oty h PHE 167 N 0.19 0.66 -0.51 1.39 -1.00 -1.74 0.34 116.94 116.27 1oty h PHE 167 Ca 0.04 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.67 1oty h PHE 167 Cb 0.44 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 1oty h PHE 167 CO 0.01 0.62 -0.01 -0.44 -1.61 0.00 0.00 178.31 176.88 1oty h ASP 168 N 0.61 0.83 0.02 2.17 3.32 -1.64 -1.41 116.42 120.32 1oty h ASP 168 Ca 0.13 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1oty h ASP 168 Cb 0.35 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1oty h ASP 168 CO 0.01 0.90 -0.01 0.58 -1.72 0.00 0.00 179.24 179.00 1oty h VAL 169 N 0.79 1.14 -0.88 -1.35 2.07 -1.25 0.08 116.25 116.85 1oty h VAL 169 Ca 0.15 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.29 1oty h VAL 169 Cb 0.48 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 1oty h VAL 169 CO 0.02 0.13 0.57 0.24 0.02 0.00 0.00 177.57 178.55 1oty h MET 170 N -0.24 0.77 -0.29 1.57 2.86 -0.75 -1.32 114.93 117.54 1oty h MET 170 Ca -0.00 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.44 1oty h MET 170 Cb 0.23 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1oty h MET 170 CO 0.00 0.51 -0.42 1.49 1.06 0.00 0.00 176.91 179.55 1oty h GLU 171 N 0.79 0.80 -0.69 1.72 4.81 -0.95 0.67 114.58 121.73 1oty h GLU 171 Ca 0.42 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1oty h GLU 171 Cb 0.53 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1oty h GLU 171 CO -0.18 1.11 0.39 -0.22 -0.73 0.00 0.00 179.01 179.37 1oty h LYS 172 N 0.57 0.95 -0.64 1.92 3.64 0.11 -2.36 116.57 120.75 1oty h LYS 172 Ca 0.03 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1oty h LYS 172 Cb 1.02 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1oty h LYS 172 CO 0.10 0.68 0.00 0.66 -2.27 0.00 0.00 179.45 178.62 1oty n TYR 173 N -4.38 1.18 -1.86 1.91 4.01 -0.74 -4.95 117.16 112.33 1oty n TYR 173 Ca 0.07 -0.45 -0.13 0.00 -0.16 0.00 0.00 57.90 57.23 1oty n TYR 173 Cb 0.09 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 38.84 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 0.76 0.55 3.70 2.72 0.00 -0.89 -4.97 105.19 107.06 1oty n GLY 174 Ca 0.19 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.59 2.66 -0.09 -0.61 1.09 0.20 -4.57 121.20 117.29 1oty s ILE 175 Ca 0.00 0.22 0.14 0.00 -1.10 0.00 0.00 60.65 59.90 1oty s ILE 175 Cb 0.00 -3.14 0.01 0.00 -1.06 0.00 0.00 42.46 38.27 1oty s ILE 175 CO 0.00 0.00 1.42 -0.07 -0.10 0.00 0.00 174.94 176.19 1oty h LEU 176 N 8.30 0.00 -7.00 2.97 3.38 -0.86 -3.37 115.31 118.72 1oty h LEU 176 Ca -0.44 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.55 1oty h LEU 176 Cb 1.21 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.79 1oty h LEU 176 CO 0.94 0.59 0.35 -0.83 0.09 0.00 0.00 178.44 179.59 1oty s GLY 177 N -4.51 -0.49 -0.17 0.83 0.00 -1.24 -4.39 107.32 97.35 1oty s GLY 177 Ca 0.03 1.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.94 1oty s GLY 177 CO 0.76 0.63 -0.12 0.14 0.00 0.00 0.00 173.10 174.50 1oty s VAL 178 N -2.27 2.87 0.00 1.40 1.01 0.79 -0.37 120.40 123.82 1oty s VAL 178 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1oty s VAL 178 Cb -0.01 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1oty s VAL 178 CO -0.02 0.49 0.00 -1.84 0.00 0.00 0.00 175.10 173.73 1oty n GLU 179 N 4.26 0.00 -0.73 2.72 -0.00 0.20 0.00 120.64 127.10 1oty n GLU 179 Ca -0.19 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.98 1oty n GLU 179 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.97 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 0.06 0.00 3.44 2.81 -1.26 -0.48 117.12 121.69 1oty n MET 180 Ca 0.00 -1.32 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 1oty n MET 180 Cb 0.00 -0.43 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 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 0.06 0.00 -0.31 0.03 4.71 -1.26 -1.78 120.64 122.09 1oty n GLU 181 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.10 1oty n GLU 181 Cb 0.81 -0.49 -0.06 0.00 -1.01 0.00 0.00 31.44 30.69 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 -1.28 -0.44 -0.13 0.62 0.00 -1.26 0.51 120.51 118.53 1oty n ALA 182 Ca 0.00 0.65 0.06 0.00 0.00 0.00 0.00 53.44 54.15 1oty n ALA 182 Cb 0.00 -0.13 0.38 0.00 0.00 0.00 0.00 19.45 19.70 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 0.45 1.73 -0.02 0.00 0.00 -1.83 0.00 119.26 119.59 1oty h ALA 183 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1oty h ALA 183 Cb 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1oty h ALA 183 CO -0.71 0.19 -0.01 0.78 0.00 0.00 0.00 179.25 179.50 1oty h GLY 184 N 0.69 0.04 1.16 0.00 0.00 -0.29 -2.16 103.07 102.50 1oty h GLY 184 Ca 0.27 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1oty h GLY 184 CO -0.08 0.03 0.56 -2.22 0.00 0.00 0.00 176.54 174.83 1oty h ILE 185 N -0.37 1.21 -0.05 2.60 2.04 -0.47 -1.63 117.51 120.85 1oty h ILE 185 Ca 0.00 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.35 1oty h ILE 185 Cb 0.42 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1oty h ILE 185 CO 0.00 0.21 -0.55 1.88 0.00 0.00 0.00 178.15 179.69 1oty h TYR 186 N 1.14 0.18 -0.45 1.37 0.99 -0.99 -1.11 116.97 118.10 1oty h TYR 186 Ca 0.31 -0.06 -0.12 0.00 2.00 0.00 0.00 58.73 60.87 1oty h TYR 186 Cb -0.12 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.56 1oty h TYR 186 CO -0.00 0.66 -0.17 0.78 -0.00 0.00 0.00 178.16 179.42 1oty h GLY 187 N 1.50 0.98 1.04 3.88 0.00 -0.78 -1.89 103.07 107.80 1oty h GLY 187 Ca -0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 47.33 46.38 1oty h GLY 187 CO 0.08 0.78 -0.05 -2.08 0.00 0.00 0.00 176.54 175.27 1oty h VAL 188 N 0.74 1.27 -0.70 4.60 2.07 -1.10 -1.03 116.25 122.10 1oty h VAL 188 Ca 0.10 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1oty h VAL 188 Cb 0.74 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1oty h VAL 188 CO 0.06 0.41 0.40 0.00 0.02 0.00 0.00 177.57 178.46 1oty h ALA 189 N 0.92 0.89 -0.17 1.67 0.00 -1.14 -0.31 119.26 121.12 1oty h ALA 189 Ca 0.14 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1oty h ALA 189 Cb 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1oty h ALA 189 CO 0.04 0.38 -0.66 0.00 0.00 0.00 0.00 179.25 179.01 1oty h ALA 190 N 1.21 0.52 -0.54 0.00 0.00 -1.25 0.05 119.26 119.24 1oty h ALA 190 Ca 0.25 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1oty h ALA 190 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1oty h ALA 190 CO -0.04 0.70 -0.10 1.49 0.00 0.00 0.00 179.25 181.30 1oty h GLU 191 N 0.47 1.01 -0.43 0.00 4.81 -0.87 -3.23 114.58 116.34 1oty h GLU 191 Ca -0.02 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1oty h GLU 191 Cb 1.24 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1oty h GLU 191 CO 0.13 1.04 0.00 1.19 -0.73 0.00 0.00 179.01 180.64 1oty n PHE 192 N -4.15 1.20 -2.39 0.92 3.01 -0.15 -4.99 117.46 110.90 1oty n PHE 192 Ca 0.02 -0.72 -0.15 0.00 1.01 0.00 0.00 57.45 57.62 1oty n PHE 192 Cb 0.39 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.29 -0.20 0.00 1.37 0.00 -0.69 -4.96 105.19 101.00 1oty n GLY 193 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.99 0.00 -2.48 4.61 0.00 -0.08 -5.03 120.51 115.53 1oty n ALA 194 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 1oty n ALA 194 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.70 1.46 0.05 0.00 1.02 -0.73 -4.53 119.74 115.31 1oty s LYS 195 Ca 0.00 -0.72 -0.00 0.00 0.02 0.00 0.00 55.97 55.26 1oty s LYS 195 Cb 0.00 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 35.83 1oty s LYS 195 CO 0.00 0.39 -0.04 0.00 -0.92 0.00 0.00 175.35 174.78 1oty s ALA 196 N -0.53 0.50 -0.06 5.17 0.00 -1.26 -1.23 121.76 124.35 1oty s ALA 196 Ca 0.07 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 1oty s ALA 196 Cb -0.08 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1oty s ALA 196 CO -0.00 -0.29 0.36 -1.17 0.00 0.00 0.00 175.76 174.65 1oty s LEU 197 N -2.58 0.65 -0.09 0.00 2.96 -0.06 -1.91 118.68 117.65 1oty s LEU 197 Ca 0.02 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1oty s LEU 197 Cb 0.03 1.35 0.01 0.00 0.50 0.00 0.00 46.19 48.08 1oty s LEU 197 CO -0.07 -0.34 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.57 1oty s THR 198 N -0.76 1.50 -0.04 3.68 2.01 -1.26 0.11 115.64 120.88 1oty s THR 198 Ca -0.08 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.29 1oty s THR 198 Cb -0.04 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 1oty s THR 198 CO 0.03 0.44 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.56 1oty s ILE 199 N 0.64 1.73 0.06 1.82 -1.09 0.16 -1.27 121.20 123.25 1oty s ILE 199 Ca -0.14 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.38 1oty s ILE 199 Cb -0.16 -1.46 -0.03 0.00 -1.58 0.00 0.00 42.46 39.23 1oty s ILE 199 CO 0.04 0.49 -0.05 0.00 -1.23 0.00 0.00 174.94 174.19 1oty s THR 201 N -2.80 2.73 -0.34 0.00 -4.23 -0.99 0.90 115.64 110.91 1oty s THR 201 Ca 0.01 -0.85 -0.29 0.00 -1.18 0.00 0.00 61.69 59.38 1oty s THR 201 Cb -0.00 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.82 1oty s THR 201 CO -0.04 0.59 1.15 -0.69 -0.54 0.00 0.00 174.62 175.08 1oty s VAL 202 N -0.66 4.35 -0.07 2.29 1.01 -1.19 -2.28 120.40 123.85 1oty s VAL 202 Ca 0.10 1.53 0.15 0.00 0.00 0.00 0.00 61.98 63.76 1oty s VAL 202 Cb -0.11 -4.38 -0.22 0.00 0.00 0.00 0.00 36.38 31.68 1oty s VAL 202 CO 0.00 -0.57 0.23 -1.54 0.00 0.00 0.00 175.10 173.22 1oty n SER 203 N 7.25 1.41 -4.27 3.32 3.41 -1.07 -3.49 113.62 120.18 1oty n SER 203 Ca 0.13 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.53 1oty n SER 203 Cb 0.47 1.38 -0.12 0.00 -0.26 0.00 0.00 64.21 65.69 1oty n SER 203 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oty s ASP 204 N -4.19 2.31 -0.38 4.04 -1.08 -1.24 -1.38 116.67 114.74 1oty s ASP 204 Ca -0.06 -0.76 0.01 0.00 -0.52 0.00 0.00 52.55 51.22 1oty s ASP 204 Cb 0.08 -0.11 0.12 0.00 -1.46 0.00 0.00 42.92 41.55 1oty s ASP 204 CO 0.63 -0.04 0.17 -2.28 0.52 0.00 0.00 175.17 174.17 1oty s HIS 205 N -1.71 1.94 -1.63 -5.34 2.46 -1.24 -0.08 115.29 109.70 1oty s HIS 205 Ca 0.09 -2.17 0.09 0.00 0.47 0.00 0.00 55.06 53.54 1oty s HIS 205 Cb -0.07 -1.85 0.50 0.00 -0.13 0.00 0.00 32.58 31.03 1oty s HIS 205 CO 0.04 -0.83 1.12 -0.89 -2.47 0.00 0.00 174.74 171.71 1oty n ILE 206 N 4.10 0.52 -0.03 0.89 5.41 -0.77 0.75 119.36 130.22 1oty n ILE 206 Ca 0.04 0.13 -0.02 0.00 1.00 0.00 0.00 62.75 63.90 1oty n ILE 206 Cb 0.38 -0.98 -0.01 0.00 -0.71 0.00 0.00 39.64 38.32 1oty n ILE 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1oty n ARG 207 N -1.19 0.19 -0.12 0.38 0.00 -1.26 -4.52 116.66 110.16 1oty n ARG 207 Ca 0.05 0.30 0.10 0.00 -0.00 0.00 0.00 57.85 58.31 1oty n ARG 207 Cb 0.06 -1.08 0.32 0.00 0.00 0.00 0.00 32.46 31.75 1oty n ARG 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1oty n THR 208 N -3.25 0.31 -3.53 5.15 -2.24 -1.20 -4.98 114.28 104.54 1oty n THR 208 Ca -0.04 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.05 1oty n THR 208 Cb 0.13 0.49 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1oty n THR 208 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1oty n HIS 209 N 0.61 -2.49 -3.22 4.78 8.25 0.23 -5.00 115.22 118.38 1oty n HIS 209 Ca 0.16 1.02 -0.02 0.00 -0.26 0.00 0.00 57.72 58.62 1oty n HIS 209 Cb 0.39 -2.76 -0.03 0.00 1.12 0.00 0.00 29.99 28.71 1oty n HIS 209 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1oty s GLU 210 N -3.73 0.49 0.00 -0.41 2.12 -1.19 -4.97 118.70 111.01 1oty s GLU 210 Ca 0.14 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.92 1oty s GLU 210 Cb -0.02 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1oty s GLU 210 CO 0.86 -0.96 0.00 1.04 -0.54 0.00 0.00 175.26 175.66 1oty n GLN 211 N 5.39 0.97 -4.13 4.30 3.00 -1.26 -3.59 117.38 122.06 1oty n GLN 211 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.86 1oty n GLN 211 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.62 1oty n GLN 211 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1oty s THR 212 N -0.01 0.39 -0.30 5.09 -1.32 -0.48 -4.87 115.64 114.14 1oty s THR 212 Ca 0.00 -0.31 -0.09 0.00 -1.21 0.00 0.00 61.69 60.08 1oty s THR 212 Cb 0.00 -0.35 0.17 0.00 -1.51 0.00 0.00 72.50 70.80 1oty s THR 212 CO 0.00 0.04 0.80 -0.89 -2.21 0.00 0.00 174.62 172.36 1oty s THR 213 N -0.27 -0.74 0.00 5.08 2.01 -1.26 -5.03 115.64 115.43 1oty s THR 213 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1oty s THR 213 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1oty s THR 213 CO -0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1oty n ALA 214 N 5.33 0.00 0.18 7.40 0.00 -1.26 -4.90 120.51 127.26 1oty n ALA 214 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1oty n ALA 214 Cb 0.51 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.25 1oty n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oty h ALA 215 N 0.00 0.95 -0.50 0.00 0.00 -2.01 -3.01 119.26 114.69 1oty h ALA 215 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1oty h ALA 215 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1oty h ALA 215 CO 0.00 0.53 0.07 0.93 0.00 0.00 0.00 179.25 180.78 1oty h GLU 216 N 0.00 0.84 0.08 0.00 5.08 -1.99 -1.47 114.58 117.11 1oty h GLU 216 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1oty h GLU 216 Cb 0.98 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1oty h GLU 216 CO 0.06 0.83 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.73 1oty h ARG 217 N 0.71 -0.17 0.00 2.33 2.43 -1.87 -1.82 114.38 115.98 1oty h ARG 217 Ca 0.15 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1oty h ARG 217 Cb 0.41 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1oty h ARG 217 CO 0.01 -0.12 -0.09 1.96 -1.51 0.00 0.00 179.97 180.22 1oty h GLN 218 N -0.18 0.00 -0.09 0.20 4.20 -1.49 -2.03 115.11 115.72 1oty h GLN 218 Ca 0.01 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 1oty h GLN 218 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1oty h GLN 218 CO -0.03 0.09 -0.77 1.15 -0.67 0.00 0.00 178.83 178.60 1oty h THR 219 N 0.00 1.35 -0.06 -0.54 2.02 -0.68 -2.65 112.91 112.35 1oty h THR 219 Ca -0.00 -2.12 -0.16 0.00 0.77 0.00 0.00 66.41 64.90 1oty h THR 219 Cb 0.43 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 1oty h THR 219 CO 0.01 0.65 -0.65 0.74 0.37 0.00 0.00 175.52 176.64 1oty h THR 220 N 0.36 1.40 -0.53 3.16 2.02 -0.75 -1.71 112.91 116.86 1oty h THR 220 Ca -0.04 -2.09 -0.10 0.00 0.77 0.00 0.00 66.41 64.94 1oty h THR 220 Cb 1.37 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.84 1oty h THR 220 CO 0.14 0.62 -0.08 0.15 0.37 0.00 0.00 175.52 176.72 1oty h PHE 221 N 0.17 1.07 -0.07 3.16 3.04 -1.33 -1.78 116.94 121.20 1oty h PHE 221 Ca -0.01 -0.20 -0.14 0.00 3.98 0.00 0.00 57.97 61.60 1oty h PHE 221 Cb 1.18 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 1oty h PHE 221 CO 0.02 0.99 -0.58 -0.91 -2.02 0.00 0.00 178.31 175.81 1oty h ASN 222 N 0.87 0.26 -0.31 0.41 -0.26 -1.34 -2.38 115.58 112.83 1oty h ASN 222 Ca 0.14 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1oty h ASN 222 Cb 0.62 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 1oty h ASN 222 CO 0.04 0.78 0.16 0.44 -1.06 0.00 0.00 177.43 177.79 1oty h ASP 223 N 0.17 0.39 -0.39 5.81 3.32 -1.01 0.18 116.42 124.89 1oty h ASP 223 Ca -0.00 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.01 1oty h ASP 223 Cb 1.06 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 1oty h ASP 223 CO 0.09 0.37 0.09 -0.03 -1.72 0.00 0.00 179.24 178.04 1oty h MET 224 N 0.37 0.22 -0.74 3.56 1.85 -1.14 0.17 114.93 119.22 1oty h MET 224 Ca 0.11 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 1oty h MET 224 Cb 0.07 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.02 1oty h MET 224 CO -0.02 0.15 0.48 0.82 -0.40 0.00 0.00 176.91 177.94 1oty h ILE 225 N 0.23 1.20 -0.75 1.77 1.08 -1.01 -0.57 117.51 119.46 1oty h ILE 225 Ca 0.19 -0.39 -0.05 0.00 -0.39 0.00 0.00 64.86 64.22 1oty h ILE 225 Cb 0.21 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 1oty h ILE 225 CO -0.23 0.20 0.27 0.11 -0.69 0.00 0.00 178.15 177.81 1oty h LYS 226 N 1.01 1.14 -0.29 2.37 1.57 -0.17 -0.25 116.57 121.95 1oty h LYS 226 Ca 0.27 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1oty h LYS 226 Cb -0.09 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 1oty h LYS 226 CO -0.06 0.94 0.16 0.82 -0.57 0.00 0.00 179.45 180.75 1oty h ILE 227 N 1.10 1.02 -0.17 1.86 2.04 0.09 0.39 117.51 123.84 1oty h ILE 227 Ca 0.25 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1oty h ILE 227 Cb 0.25 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1oty h ILE 227 CO -0.02 0.06 0.11 0.00 0.00 0.00 0.00 178.15 178.30 1oty h ALA 228 N 1.14 0.22 -0.12 1.87 0.00 -0.64 0.15 119.26 121.87 1oty h ALA 228 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1oty h ALA 228 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1oty h ALA 228 CO -0.06 -0.28 0.04 -0.07 0.00 0.00 0.00 179.25 178.88 1oty h LEU 229 N 0.21 0.18 -1.14 0.00 3.38 -0.76 -2.80 115.31 114.39 1oty h LEU 229 Ca 0.06 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1oty h LEU 229 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1oty h LEU 229 CO -0.01 0.33 -0.23 -0.33 0.09 0.00 0.00 178.44 178.29 1oty h GLU 230 N 0.01 0.32 -0.39 1.13 4.39 -0.15 -2.76 114.58 117.14 1oty h GLU 230 Ca 0.04 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1oty h GLU 230 Cb 0.22 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1oty h GLU 230 CO -0.00 0.54 0.06 0.66 -1.16 0.00 0.00 179.01 179.11 1oty h SER 231 N 0.29 0.54 -0.01 1.42 4.64 -0.52 -1.44 113.55 118.47 1oty h SER 231 Ca 0.05 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.16 1oty h SER 231 Cb 0.57 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1oty h SER 231 CO 0.04 0.57 -0.37 1.62 -0.87 0.00 0.00 176.83 177.82 1oty h VAL 232 N 0.57 1.30 -0.93 0.95 3.04 -1.23 -1.33 116.25 118.61 1oty h VAL 232 Ca 0.13 -1.51 -0.00 0.00 -1.01 0.00 0.00 66.70 64.30 1oty h VAL 232 Cb 0.27 1.53 -0.05 0.00 -2.01 0.00 0.00 31.29 31.04 1oty h VAL 232 CO 0.00 0.47 0.56 -0.07 -1.01 0.00 0.00 177.57 177.53 1oty h LEU 233 N 0.42 1.11 -0.94 3.16 3.38 -1.16 -1.18 115.31 120.10 1oty h LEU 233 Ca 0.04 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1oty h LEU 233 Cb 0.85 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1oty h LEU 233 CO 0.07 0.85 -0.38 -0.07 0.09 0.00 0.00 178.44 179.00 1oty h LEU 234 N 1.28 0.30 -1.01 1.67 3.38 -0.99 -2.83 115.31 117.11 1oty h LEU 234 Ca 0.33 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1oty h LEU 234 Cb -0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1oty h LEU 234 CO -0.06 0.66 0.01 1.23 0.09 0.00 0.00 178.44 180.37 1oty h GLY 235 N 1.16 0.78 1.20 0.83 0.00 -0.11 -2.88 103.07 104.05 1oty h GLY 235 Ca 0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1oty h GLY 235 CO 0.06 0.46 -0.11 -0.55 0.00 0.00 0.00 176.54 176.40 1oty h ASP 236 N 0.68 0.94 0.00 0.19 3.32 -1.05 -3.51 116.42 116.98 1oty h ASP 236 Ca 0.14 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1oty h ASP 236 Cb 0.40 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1oty h ASP 236 CO 0.01 1.06 0.00 0.29 -1.72 0.00 0.00 179.24 178.88