#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptf s GLU 16 N 0.00 3.85 0.13 7.34 2.02 -1.26 -5.01 118.70 125.77 2ptf s GLU 16 Ca 0.00 0.28 0.11 0.00 0.02 0.00 0.00 54.97 55.38 2ptf s GLU 16 Cb 0.00 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 2ptf s GLU 16 CO 0.00 0.67 -0.27 0.71 0.02 0.00 0.00 175.26 176.39 2ptf s TYR 17 N -0.93 2.32 0.05 1.61 2.02 -1.26 -4.17 117.35 116.99 2ptf s TYR 17 Ca 0.22 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.59 2ptf s TYR 17 Cb -0.15 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 2ptf s TYR 17 CO 0.11 0.35 -0.06 0.99 -1.57 0.00 0.00 175.55 175.37 2ptf s THR 18 N -1.09 3.68 0.06 -0.71 2.01 0.99 -4.85 115.64 115.72 2ptf s THR 18 Ca 0.14 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 2ptf s THR 18 Cb -0.10 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.68 2ptf s THR 18 CO 0.06 0.26 0.49 -2.28 -0.69 0.00 0.00 174.62 172.46 2ptf s HIS 19 N -1.13 3.73 0.10 4.92 2.46 -1.26 -0.16 115.29 123.94 2ptf s HIS 19 Ca 0.20 1.09 -0.01 0.00 0.47 0.00 0.00 55.06 56.82 2ptf s HIS 19 Cb -0.11 -2.37 -0.04 0.00 -0.13 0.00 0.00 32.58 29.93 2ptf s HIS 19 CO 0.12 0.58 0.01 -0.06 -2.47 0.00 0.00 174.74 172.91 2ptf s PHE 20 N -1.19 0.75 0.06 3.88 0.08 0.22 -4.95 117.98 116.84 2ptf s PHE 20 Ca 0.29 -1.13 -0.15 0.00 0.12 0.00 0.00 56.93 56.06 2ptf s PHE 20 Cb -0.17 -0.46 -0.28 0.00 -0.57 0.00 0.00 43.02 41.54 2ptf s PHE 20 CO 0.17 -0.41 1.12 0.87 -0.10 0.00 0.00 175.22 176.87 2ptf h LYS 21 N 2.97 0.64 0.00 0.44 1.57 -1.93 -3.08 116.57 117.19 2ptf h LYS 21 Ca -0.35 -0.81 0.00 0.00 -1.87 0.00 0.00 60.65 57.62 2ptf h LYS 21 Cb 1.17 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2ptf h LYS 21 CO 0.63 1.36 0.00 -0.40 -0.57 0.00 0.00 179.45 180.47 2ptf n ASP 22 N -3.82 0.00 0.26 0.86 5.68 -1.26 -4.74 116.55 113.53 2ptf n ASP 22 Ca -0.13 -0.93 0.16 0.00 -0.50 0.00 0.00 54.79 53.38 2ptf n ASP 22 Cb 0.95 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.48 2ptf n ASP 22 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2ptf h LEU 23 N 0.00 0.00 -2.09 -2.12 3.38 -0.86 -2.80 115.31 110.82 2ptf h LEU 23 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2ptf h LEU 23 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2ptf h LEU 23 CO 0.00 0.01 0.25 1.56 0.09 0.00 0.00 178.44 180.35 2ptf h GLN 24 N 0.00 0.00 0.00 1.13 4.20 -1.83 0.11 115.11 118.72 2ptf h GLN 24 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ptf h GLN 24 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2ptf h GLN 24 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 2ptf h ALA 25 N 1.78 1.00 -0.22 3.87 0.00 -1.89 -1.14 119.26 122.66 2ptf h ALA 25 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ptf h ALA 25 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ptf h ALA 25 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2ptf n LEU 26 N -2.81 2.61 -3.97 0.00 4.77 0.36 -4.96 117.00 113.00 2ptf n LEU 26 Ca -0.00 -1.52 -0.31 0.00 -0.03 0.00 0.00 56.01 54.14 2ptf n LEU 26 Cb 0.20 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2ptf n LEU 26 CO 0.22 0.59 0.08 -0.62 -1.33 0.00 0.00 177.39 176.33 2ptf n GLU 27 N 0.71 -5.07 -2.74 3.23 1.02 -0.43 -4.43 120.64 112.93 2ptf n GLU 27 Ca 0.11 0.55 -0.39 0.00 -0.02 0.00 0.00 57.16 57.41 2ptf n GLU 27 Cb 0.39 -5.42 -0.06 0.00 -0.02 0.00 0.00 31.44 26.33 2ptf n GLU 27 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2ptf s MET 28 N -6.68 4.73 -0.05 3.49 -1.94 -1.17 -4.94 119.30 112.74 2ptf s MET 28 Ca 0.68 1.44 0.02 0.00 -1.71 0.00 0.00 55.69 56.13 2ptf s MET 28 Cb -0.35 -3.07 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 2ptf s MET 28 CO 0.84 0.40 -0.10 -1.21 -0.01 0.00 0.00 175.02 174.94 2ptf s GLU 29 N -1.56 2.60 0.31 2.03 2.02 -1.26 -4.66 118.70 118.17 2ptf s GLU 29 Ca 0.45 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.51 2ptf s GLU 29 Cb -0.23 -2.48 -0.12 0.00 0.10 0.00 0.00 34.13 31.40 2ptf s GLU 29 CO 0.29 0.64 1.44 0.54 0.02 0.00 0.00 175.26 178.18 2ptf n ARG 30 N 2.17 2.34 -0.86 1.61 1.74 -1.26 -2.00 116.66 120.39 2ptf n ARG 30 Ca -0.17 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2ptf n ARG 30 Cb 0.53 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 2ptf n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ptf n GLY 31 N 1.48 0.91 3.80 -0.13 0.00 0.10 -4.99 105.19 106.37 2ptf n GLY 31 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2ptf n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ptf s ARG 32 N -0.14 3.18 -0.23 1.61 1.81 -0.85 -4.67 118.95 119.66 2ptf s ARG 32 Ca 0.00 -0.37 -0.12 0.00 -1.72 0.00 0.00 55.73 53.52 2ptf s ARG 32 Cb 0.00 -2.95 -0.05 0.00 -0.45 0.00 0.00 34.95 31.50 2ptf s ARG 32 CO 0.00 0.69 0.21 -1.17 -0.68 0.00 0.00 175.30 174.35 2ptf s LEU 33 N -1.44 4.13 -0.09 2.53 0.20 -1.03 -1.50 118.68 121.48 2ptf s LEU 33 Ca 0.20 0.20 -0.03 0.00 0.69 0.00 0.00 54.13 55.19 2ptf s LEU 33 Cb -0.12 -2.19 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 2ptf s LEU 33 CO 0.10 0.04 0.06 -0.31 -0.29 0.00 0.00 176.35 175.95 2ptf s TYR 34 N 1.10 3.33 -0.30 5.38 2.02 0.04 -4.60 117.35 124.32 2ptf s TYR 34 Ca 0.10 0.31 -0.23 0.00 -0.37 0.00 0.00 57.07 56.88 2ptf s TYR 34 Cb -0.14 -1.83 -0.00 0.00 -0.40 0.00 0.00 41.96 39.59 2ptf s TYR 34 CO 0.05 0.57 0.77 -1.21 -1.57 0.00 0.00 175.55 174.16 2ptf s GLU 35 N -1.05 3.98 0.27 -0.62 0.41 0.30 -0.38 118.70 121.61 2ptf s GLU 35 Ca 0.15 0.59 0.02 0.00 -0.41 0.00 0.00 54.97 55.32 2ptf s GLU 35 Cb -0.12 -3.72 -0.04 0.00 -1.78 0.00 0.00 34.13 28.48 2ptf s GLU 35 CO 0.04 -0.64 0.15 0.95 -0.49 0.00 0.00 175.26 175.27 2ptf s THR 36 N 2.90 0.23 -0.24 3.63 -4.23 -1.09 -4.29 115.64 112.54 2ptf s THR 36 Ca 0.32 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 2ptf s THR 36 Cb -0.14 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 2ptf s THR 36 CO 0.12 0.00 0.06 -0.63 -0.54 0.00 0.00 174.62 173.63 2ptf s ILE 37 N -3.79 4.32 -0.26 2.99 -1.09 -0.35 -1.24 121.20 121.78 2ptf s ILE 37 Ca 0.38 -0.17 -0.12 0.00 -2.23 0.00 0.00 60.65 58.51 2ptf s ILE 37 Cb 0.06 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 2ptf s ILE 37 CO 0.16 0.36 0.22 -0.69 -1.23 0.00 0.00 174.94 173.76 2ptf s VAL 38 N 1.43 5.30 -0.24 2.92 1.01 -0.00 -0.57 120.40 130.25 2ptf s VAL 38 Ca 0.05 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 2ptf s VAL 38 Cb -0.15 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2ptf s VAL 38 CO 0.03 0.26 0.16 -0.69 0.00 0.00 0.00 175.10 174.86 2ptf s VAL 39 N 1.61 5.32 0.35 2.92 1.01 -0.44 -1.97 120.40 129.20 2ptf s VAL 39 Ca 0.09 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.28 2ptf s VAL 39 Cb -0.15 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 2ptf s VAL 39 CO 0.09 0.34 0.06 0.42 0.00 0.00 0.00 175.10 176.01 2ptf s THR 40 N 1.11 1.20 -0.05 3.92 -4.23 -0.33 -1.59 115.64 115.67 2ptf s THR 40 Ca 0.07 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 2ptf s THR 40 Cb -0.14 -2.75 0.05 0.00 1.34 0.00 0.00 72.50 71.00 2ptf s THR 40 CO 0.05 0.00 0.53 -1.66 -0.54 0.00 0.00 174.62 173.00 2ptf s TRP 41 N -3.22 -0.47 0.00 3.99 -2.14 -1.26 -0.17 118.94 115.66 2ptf s TRP 41 Ca 0.34 0.83 0.00 0.00 2.66 0.00 0.00 56.10 59.93 2ptf s TRP 41 Cb 0.08 0.28 0.00 0.00 -3.10 0.00 0.00 33.47 30.73 2ptf s TRP 41 CO 0.15 -0.50 0.00 -0.40 -2.66 0.00 0.00 176.95 173.54 2ptf n ASP 42 N 1.19 0.00 0.26 -2.66 5.68 -1.13 -4.82 116.55 115.07 2ptf n ASP 42 Ca -0.20 -0.95 0.11 0.00 -0.50 0.00 0.00 54.79 53.25 2ptf n ASP 42 Cb 0.57 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.26 2ptf n ASP 42 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2ptf h ASP 43 N 0.00 0.00 -0.44 -1.12 3.32 -1.96 -1.93 116.42 114.28 2ptf h ASP 43 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ptf h ASP 43 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2ptf h ASP 43 CO 0.00 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.32 2ptf n SER 44 N -4.34 2.84 -2.76 6.45 7.64 -1.26 -4.91 113.62 117.28 2ptf n SER 44 Ca -0.02 -2.14 -0.21 0.00 1.01 0.00 0.00 58.87 57.51 2ptf n SER 44 Cb 0.11 -0.38 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 2ptf n SER 44 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ptf n MET 45 N 0.75 -3.38 -2.57 1.43 2.81 -0.73 -4.96 117.12 110.48 2ptf n MET 45 Ca 0.16 0.90 -0.43 0.00 -1.81 0.00 0.00 57.70 56.51 2ptf n MET 45 Cb 0.50 -5.66 -0.02 0.00 -0.71 0.00 0.00 33.22 27.33 2ptf n MET 45 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2ptf s VAL 46 N -3.07 4.31 0.32 2.03 1.01 -1.26 -4.83 120.40 118.91 2ptf s VAL 46 Ca 0.17 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 2ptf s VAL 46 Cb -0.08 -4.41 -0.12 0.00 0.00 0.00 0.00 36.38 31.77 2ptf s VAL 46 CO 0.21 -0.66 1.49 0.61 0.00 0.00 0.00 175.10 176.75 2ptf n GLY 47 N 4.32 1.10 3.21 4.51 0.00 -1.26 -2.86 105.19 114.20 2ptf n GLY 47 Ca 0.13 0.40 -0.23 0.00 0.00 0.00 0.00 46.02 46.32 2ptf n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ptf s ASN 48 N 0.16 2.11 -0.02 1.61 2.47 0.76 -4.96 114.94 117.07 2ptf s ASN 48 Ca 0.60 -0.51 0.03 0.00 0.42 0.00 0.00 52.86 53.40 2ptf s ASN 48 Cb -0.52 -0.15 0.00 0.00 -1.45 0.00 0.00 41.25 39.12 2ptf s ASN 48 CO 0.55 0.09 -0.09 0.00 -3.72 0.00 0.00 177.10 173.93 2ptf s ALA 49 N -0.87 0.85 0.01 1.71 0.00 -1.26 -1.19 121.76 121.01 2ptf s ALA 49 Ca 0.05 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.47 2ptf s ALA 49 Cb -0.09 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.78 2ptf s ALA 49 CO 0.02 0.16 0.38 0.00 0.00 0.00 0.00 175.76 176.32 2ptf s ALA 50 N 0.08 -0.95 0.10 0.00 0.00 -0.83 -4.79 121.76 115.37 2ptf s ALA 50 Ca -0.01 0.39 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 2ptf s ALA 50 Cb -0.07 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.15 2ptf s ALA 50 CO 0.00 -0.35 1.39 -2.14 0.00 0.00 0.00 175.76 174.66 2ptf s PRO 51 N -1.83 4.32 -0.02 0.00 0.02 -1.26 -0.82 135.00 135.40 2ptf s PRO 51 Ca -0.10 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 2ptf s PRO 51 Cb -0.03 -3.30 0.01 0.00 0.02 0.00 0.00 34.50 31.21 2ptf s PRO 51 CO 0.02 -0.46 0.05 0.42 -0.33 0.00 0.00 177.00 176.71 2ptf s ILE 52 N 1.30 -0.01 0.23 2.83 -1.09 -0.37 -4.91 121.20 119.16 2ptf s ILE 52 Ca 0.65 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.82 2ptf s ILE 52 Cb -0.36 -0.09 -0.09 0.00 -1.58 0.00 0.00 42.46 40.34 2ptf s ILE 52 CO 0.30 0.02 1.22 -0.83 -1.23 0.00 0.00 174.94 174.42 2ptf s GLY 53 N 0.31 2.75 -0.23 6.18 0.00 -1.26 -2.68 107.32 112.39 2ptf s GLY 53 Ca -0.02 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.73 2ptf s GLY 53 CO -0.01 1.84 -0.11 0.14 0.00 0.00 0.00 173.10 174.96 2ptf s VAL 54 N -0.38 1.96 -0.37 1.40 1.01 0.49 -4.42 120.40 120.09 2ptf s VAL 54 Ca 0.51 -1.36 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 2ptf s VAL 54 Cb -0.34 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2ptf s VAL 54 CO 0.40 0.07 1.08 -0.22 0.00 0.00 0.00 175.10 176.44 2ptf s LEU 55 N 1.23 3.85 -0.09 3.92 2.96 0.29 -0.78 118.68 130.06 2ptf s LEU 55 Ca -0.05 0.85 -0.30 0.00 -0.22 0.00 0.00 54.13 54.41 2ptf s LEU 55 Cb -0.18 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2ptf s LEU 55 CO -0.07 -0.99 1.38 0.00 -1.32 0.00 0.00 176.35 175.36 2ptf n THR 57 N 5.17 0.55 -2.03 0.00 -2.24 -0.55 0.03 114.28 115.21 2ptf n THR 57 Ca 0.14 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2ptf n THR 57 Cb 0.44 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2ptf n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ptf n GLY 58 N -0.11 -1.87 0.27 3.38 0.00 -1.21 -4.87 105.19 100.78 2ptf n GLY 58 Ca 0.02 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.92 2ptf n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2ptf h ASP 59 N 0.00 0.16 0.00 1.61 3.32 -1.98 -3.27 116.42 116.25 2ptf h ASP 59 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2ptf h ASP 59 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2ptf h ASP 59 CO 0.00 0.13 -0.42 -0.90 -1.72 0.00 0.00 179.24 176.33 2ptf n ASP 60 N -4.50 0.15 -4.26 6.45 5.75 -1.26 -0.14 116.55 118.74 2ptf n ASP 60 Ca -0.01 -1.97 -0.24 0.00 -0.01 0.00 0.00 54.79 52.57 2ptf n ASP 60 Cb 0.09 -0.19 -0.13 0.00 -1.03 0.00 0.00 41.12 39.86 2ptf n ASP 60 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2ptf s THR 61 N -0.17 1.63 0.09 2.12 -4.23 -1.24 0.24 115.64 114.09 2ptf s THR 61 Ca 0.02 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2ptf s THR 61 Cb 0.02 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 2ptf s THR 61 CO 0.00 0.00 0.08 0.68 -0.54 0.00 0.00 174.62 174.84 2ptf s VAL 62 N -1.06 0.15 -0.03 2.29 -7.23 -0.84 -1.49 120.40 112.20 2ptf s VAL 62 Ca 0.06 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 2ptf s VAL 62 Cb -0.10 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 2ptf s VAL 62 CO 0.03 -0.69 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.05 2ptf s THR 63 N -3.95 1.50 0.10 5.32 2.01 -0.14 -1.02 115.64 119.46 2ptf s THR 63 Ca 0.12 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.43 2ptf s THR 63 Cb 0.07 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2ptf s THR 63 CO -0.06 0.43 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.34 2ptf s LEU 64 N -0.19 2.61 -0.25 4.42 1.02 0.29 -0.55 118.68 126.03 2ptf s LEU 64 Ca 0.01 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.62 2ptf s LEU 64 Cb -0.10 -1.49 0.04 0.00 0.02 0.00 0.00 46.19 44.67 2ptf s LEU 64 CO 0.01 0.20 -0.10 -0.31 0.02 0.00 0.00 176.35 176.17 2ptf s TYR 65 N -1.07 3.13 -0.29 0.29 2.02 -1.26 -1.10 117.35 119.07 2ptf s TYR 65 Ca 0.16 -1.96 0.01 0.00 -0.37 0.00 0.00 57.07 54.91 2ptf s TYR 65 Cb -0.10 -1.98 0.06 0.00 -0.40 0.00 0.00 41.96 39.53 2ptf s TYR 65 CO 0.08 -0.82 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.69 2ptf s LEU 66 N 1.21 3.81 0.64 -1.29 1.43 0.54 -4.91 118.68 120.11 2ptf s LEU 66 Ca -0.04 -1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 51.45 2ptf s LEU 66 Cb -0.18 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2ptf s LEU 66 CO -0.06 -0.25 1.18 -0.31 0.23 0.00 0.00 176.35 177.15 2ptf s TYR 67 N 1.14 2.36 0.61 0.29 2.02 -1.26 -0.54 117.35 121.97 2ptf s TYR 67 Ca -0.05 1.55 -0.19 0.00 -0.37 0.00 0.00 57.07 58.01 2ptf s TYR 67 Cb -0.20 -3.40 -0.04 0.00 -0.40 0.00 0.00 41.96 37.92 2ptf s TYR 67 CO -0.04 -2.17 1.07 0.00 -1.57 0.00 0.00 175.55 172.84 2ptf n GLN 68 N -2.04 1.00 -1.01 -0.62 10.64 -1.00 -4.02 117.38 120.33 2ptf n GLN 68 Ca 0.13 0.39 -0.00 0.00 -1.83 0.00 0.00 57.00 55.68 2ptf n GLN 68 Cb 0.50 -2.28 -0.00 0.00 -0.86 0.00 0.00 30.24 27.60 2ptf n GLN 68 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ptf n GLY 69 N 1.16 0.47 3.96 2.61 0.00 -1.26 -5.02 105.19 107.11 2ptf n GLY 69 Ca 0.14 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 2ptf n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ptf s THR 70 N -1.98 4.94 0.24 2.61 -4.23 -1.26 -5.00 115.64 110.96 2ptf s THR 70 Ca 0.00 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2ptf s THR 70 Cb 0.00 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 70.08 2ptf s THR 70 CO 0.00 -0.40 1.62 0.03 -0.54 0.00 0.00 174.62 175.33 2ptf h ARG 71 N 0.90 0.51 -0.31 3.99 3.08 -1.95 -2.61 114.38 117.99 2ptf h ARG 71 Ca -0.50 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 59.37 2ptf h ARG 71 Cb 1.23 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.20 2ptf h ARG 71 CO 0.60 0.81 -0.33 1.15 -1.07 0.00 0.00 179.97 181.14 2ptf h THR 72 N 0.43 0.25 -0.31 2.04 2.02 -1.96 0.28 112.91 115.65 2ptf h THR 72 Ca 0.04 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.06 2ptf h THR 72 Cb 0.86 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2ptf h THR 72 CO 0.07 0.00 -0.45 1.62 0.37 0.00 0.00 175.52 177.13 2ptf h VAL 73 N -0.30 1.28 -0.43 3.16 3.04 -1.85 -1.32 116.25 119.83 2ptf h VAL 73 Ca 0.15 -1.63 0.07 0.00 -1.01 0.00 0.00 66.70 64.27 2ptf h VAL 73 Cb 0.54 1.56 -0.06 0.00 -2.01 0.00 0.00 31.29 31.32 2ptf h VAL 73 CO -0.48 0.54 0.06 -0.33 -1.01 0.00 0.00 177.57 176.35 2ptf h GLU 74 N 0.65 0.18 -0.42 4.17 4.39 -1.29 -0.69 114.58 121.56 2ptf h GLU 74 Ca 0.03 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 2ptf h GLU 74 Cb 1.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2ptf h GLU 74 CO 0.11 0.12 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.15 2ptf h ASN 75 N 0.19 0.75 -0.31 1.42 2.35 -0.31 -2.71 115.58 116.96 2ptf h ASN 75 Ca 0.21 -0.31 -0.17 0.00 -0.55 0.00 0.00 56.30 55.48 2ptf h ASN 75 Cb 0.28 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 2ptf h ASN 75 CO -0.30 0.88 -0.44 0.58 -1.65 0.00 0.00 177.43 176.50 2ptf h VAL 76 N 0.59 1.28 0.00 2.81 2.07 -0.92 -2.02 116.25 120.05 2ptf h VAL 76 Ca 0.12 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 2ptf h VAL 76 Cb 0.50 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2ptf h VAL 76 CO 0.02 0.53 -0.13 -0.07 0.02 0.00 0.00 177.57 177.95 2ptf h LEU 77 N 0.70 0.00 0.21 2.57 3.38 -1.21 0.31 115.31 121.28 2ptf h LEU 77 Ca 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 2ptf h LEU 77 Cb 1.03 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.81 2ptf h LEU 77 CO 0.10 0.13 -1.30 -1.13 0.09 0.00 0.00 178.44 176.34 2ptf h ASN 78 N 0.00 0.71 0.00 -0.43 -1.24 -1.13 -3.41 115.58 110.08 2ptf h ASN 78 Ca -0.00 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.08 2ptf h ASN 78 Cb 0.73 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.55 2ptf h ASN 78 CO 0.02 1.62 0.00 -0.46 -1.29 0.00 0.00 177.43 177.32 2ptf n ASN 79 N -3.84 0.78 -1.54 1.15 6.94 -0.79 -5.03 115.26 112.92 2ptf n ASN 79 Ca -0.17 -0.92 -0.18 0.00 -0.02 0.00 0.00 54.58 53.30 2ptf n ASN 79 Cb 1.01 0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 38.51 2ptf n ASN 79 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ptf n GLY 80 N 0.14 1.26 3.02 4.83 0.00 0.11 -4.95 105.19 109.60 2ptf n GLY 80 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2ptf n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ptf s ARG 81 N -3.85 0.42 0.19 1.61 0.52 -1.26 -0.82 118.95 115.75 2ptf s ARG 81 Ca 0.00 -0.62 -0.24 0.00 -0.52 0.00 0.00 55.73 54.35 2ptf s ARG 81 Cb 0.00 -0.15 0.05 0.00 0.52 0.00 0.00 34.95 35.37 2ptf s ARG 81 CO 0.00 0.02 0.84 -0.59 0.02 0.00 0.00 175.30 175.59 2ptf s PHE 82 N -1.23 -0.20 0.11 -0.53 -0.12 -1.03 -4.72 117.98 110.26 2ptf s PHE 82 Ca -0.11 -0.14 0.09 0.00 -0.05 0.00 0.00 56.93 56.73 2ptf s PHE 82 Cb -0.09 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 2ptf s PHE 82 CO -0.00 -0.95 -0.21 0.95 -0.05 0.00 0.00 175.22 174.95 2ptf s THR 83 N -3.53 2.63 -0.19 -4.49 -4.23 -0.62 -1.38 115.64 103.82 2ptf s THR 83 Ca 0.10 -1.55 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 2ptf s THR 83 Cb -0.03 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 2ptf s THR 83 CO 0.02 0.13 0.07 -0.69 -0.54 0.00 0.00 174.62 173.61 2ptf s VAL 84 N -1.08 4.84 -0.12 2.29 1.01 -0.32 -1.33 120.40 125.69 2ptf s VAL 84 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2ptf s VAL 84 Cb -0.10 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2ptf s VAL 84 CO 0.08 0.45 -0.18 0.20 0.00 0.00 0.00 175.10 175.65 2ptf s ASN 85 N 0.48 2.73 -0.25 3.32 0.01 0.26 -0.76 114.94 120.73 2ptf s ASN 85 Ca 0.04 -0.50 -0.18 0.00 -0.71 0.00 0.00 52.86 51.50 2ptf s ASN 85 Cb -0.12 -1.24 -0.03 0.00 0.41 0.00 0.00 41.25 40.27 2ptf s ASN 85 CO 0.01 0.04 0.54 -0.69 -1.51 0.00 0.00 177.10 175.48 2ptf s VAL 86 N 0.93 5.06 0.03 1.60 1.01 0.74 -1.21 120.40 128.56 2ptf s VAL 86 Ca -0.06 0.95 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 2ptf s VAL 86 Cb -0.15 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 2ptf s VAL 86 CO -0.02 0.09 0.12 0.28 0.00 0.00 0.00 175.10 175.57 2ptf s THR 87 N 2.21 0.11 -0.31 3.92 -1.32 -1.26 -1.41 115.64 117.58 2ptf s THR 87 Ca 0.23 -0.93 0.03 0.00 -1.21 0.00 0.00 61.69 59.81 2ptf s THR 87 Cb -0.16 -0.74 0.09 0.00 -1.51 0.00 0.00 72.50 70.19 2ptf s THR 87 CO 0.09 -0.51 1.04 0.18 -2.21 0.00 0.00 174.62 173.20 2ptf n LEU 88 N 0.98 2.20 -4.63 9.08 4.77 -1.26 -4.74 117.00 123.40 2ptf n LEU 88 Ca -0.20 -1.90 -0.43 0.00 -0.03 0.00 0.00 56.01 53.45 2ptf n LEU 88 Cb 0.58 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2ptf n LEU 88 CO 0.22 0.55 1.43 -0.62 -1.33 0.00 0.00 177.39 177.64 2ptf s ASP 89 N -0.93 6.32 0.49 -1.43 -1.08 -1.26 -4.90 116.67 113.88 2ptf s ASP 89 Ca 0.07 1.79 0.24 0.00 -0.52 0.00 0.00 52.55 54.13 2ptf s ASP 89 Cb 0.04 -2.53 1.26 0.00 -1.46 0.00 0.00 42.92 40.23 2ptf s ASP 89 CO 0.05 -1.28 2.01 1.55 0.52 0.00 0.00 175.17 178.02 2ptf h PRO 90 N 11.02 0.00 0.00 4.34 0.13 -2.01 -2.87 132.00 142.61 2ptf h PRO 90 Ca -0.36 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 2ptf h PRO 90 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2ptf h PRO 90 CO 0.99 0.17 -0.55 -0.07 -0.23 0.00 0.00 178.00 178.30 2ptf h LEU 91 N 0.00 0.00 -0.17 1.56 3.38 -1.98 -2.20 115.31 115.89 2ptf h LEU 91 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2ptf h LEU 91 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2ptf h LEU 91 CO 0.02 0.55 -0.18 0.40 0.09 0.00 0.00 178.44 179.32 2ptf h ILE 92 N 0.00 1.34 -0.84 1.22 2.04 -1.92 0.13 117.51 119.47 2ptf h ILE 92 Ca -0.01 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.53 2ptf h ILE 92 Cb 1.36 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 39.22 2ptf h ILE 92 CO 0.07 0.41 0.54 -0.26 0.00 0.00 0.00 178.15 178.91 2ptf h PHE 93 N 0.08 1.01 -0.04 1.37 0.04 -1.55 -2.22 116.94 115.64 2ptf h PHE 93 Ca 0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2ptf h PHE 93 Cb 0.73 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 2ptf h PHE 93 CO 0.08 0.58 -0.01 1.15 -0.60 0.00 0.00 178.31 179.51 2ptf h THR 94 N 1.05 1.30 -0.11 -1.55 2.02 -1.22 -2.55 112.91 111.86 2ptf h THR 94 Ca 0.34 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 2ptf h THR 94 Cb 0.01 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2ptf h THR 94 CO -0.11 0.25 -0.44 0.44 0.37 0.00 0.00 175.52 176.02 2ptf h ASP 95 N -0.29 0.26 0.25 4.18 3.32 -0.71 -1.13 116.42 122.31 2ptf h ASP 95 Ca 0.01 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2ptf h ASP 95 Cb 0.41 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2ptf h ASP 95 CO 0.00 0.68 -0.07 -1.54 -1.72 0.00 0.00 179.24 176.60 2ptf n SER 96 N -4.00 0.50 -0.11 6.45 3.41 -0.84 -1.76 113.62 117.27 2ptf n SER 96 Ca -0.02 -0.77 -0.20 0.00 -0.26 0.00 0.00 58.87 57.63 2ptf n SER 96 Cb 0.50 -0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 64.28 2ptf n SER 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2ptf n THR 97 N -0.82 1.53 0.09 6.66 -1.04 -0.91 -4.47 114.28 115.32 2ptf n THR 97 Ca 0.17 -0.55 -0.13 0.00 -2.04 0.00 0.00 64.05 61.50 2ptf n THR 97 Cb 0.25 -1.52 -0.09 0.00 -1.82 0.00 0.00 70.33 67.16 2ptf n THR 97 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2ptf h LEU 98 N -0.11 0.36 0.00 -4.42 4.07 -1.25 -3.48 115.31 110.47 2ptf h LEU 98 Ca -0.57 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.05 2ptf h LEU 98 Cb 1.88 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.51 2ptf h LEU 98 CO -0.10 1.21 0.00 0.61 -1.08 0.00 0.00 178.44 179.07 2ptf n GLY 99 N 1.23 2.97 3.34 0.83 0.00 -0.72 -5.10 105.19 107.74 2ptf n GLY 99 Ca -0.06 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2ptf n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ptf s ASP 100 N 2.00 3.02 0.40 1.61 1.01 -1.22 -4.22 116.67 119.26 2ptf s ASP 100 Ca 0.00 -0.64 -0.24 0.00 0.71 0.00 0.00 52.55 52.38 2ptf s ASP 100 Cb 0.00 -0.23 -0.09 0.00 1.01 0.00 0.00 42.92 43.61 2ptf s ASP 100 CO 0.00 0.19 1.04 -0.76 0.21 0.00 0.00 175.17 175.86 2ptf s LEU 101 N -1.57 4.13 0.64 1.23 1.43 -1.26 -4.86 118.68 118.42 2ptf s LEU 101 Ca 0.11 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 2ptf s LEU 101 Cb -0.10 -4.19 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 2ptf s LEU 101 CO 0.04 -0.48 1.04 -1.61 0.23 0.00 0.00 176.35 175.56 2ptf s GLU 102 N -2.51 3.34 0.50 1.70 2.02 -1.26 -4.95 118.70 117.54 2ptf s GLU 102 Ca 0.58 0.88 0.23 0.00 0.02 0.00 0.00 54.97 56.67 2ptf s GLU 102 Cb -0.21 -2.04 1.30 0.00 0.10 0.00 0.00 34.13 33.27 2ptf s GLU 102 CO 0.27 -0.78 1.96 0.93 0.02 0.00 0.00 175.26 177.66 2ptf h GLU 103 N -0.35 0.12 0.00 1.61 3.07 -1.97 0.73 114.58 117.78 2ptf h GLU 103 Ca -0.44 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2ptf h GLU 103 Cb 1.20 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2ptf h GLU 103 CO 0.60 0.08 0.00 -0.40 -1.40 0.00 0.00 179.01 177.88 2ptf n ASP 104 N -4.40 0.00 -0.16 1.42 5.68 -1.26 -2.23 116.55 115.60 2ptf n ASP 104 Ca 0.12 -0.12 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 2ptf n ASP 104 Cb 0.62 -0.26 0.58 0.00 -1.14 0.00 0.00 41.12 40.92 2ptf n ASP 104 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2ptf n MET 105 N -1.26 0.81 -4.37 0.11 2.81 0.25 -4.78 117.12 110.68 2ptf n MET 105 Ca 0.12 -0.33 -0.35 0.00 -1.81 0.00 0.00 57.70 55.33 2ptf n MET 105 Cb 0.18 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 2ptf n MET 105 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2ptf s PHE 106 N -2.42 3.16 0.26 2.03 0.08 -0.95 0.31 117.98 120.45 2ptf s PHE 106 Ca 0.30 0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.58 2ptf s PHE 106 Cb 0.20 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2ptf s PHE 106 CO 0.47 0.46 -0.01 -1.12 -0.10 0.00 0.00 175.22 174.91 2ptf s SER 107 N -0.86 2.18 -0.15 1.36 0.01 0.70 -4.71 113.70 112.24 2ptf s SER 107 Ca 0.13 -1.23 -0.07 0.00 1.31 0.00 0.00 55.95 56.10 2ptf s SER 107 Cb -0.11 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2ptf s SER 107 CO 0.02 -0.47 0.09 -1.00 0.41 0.00 0.00 173.24 172.30 2ptf s HIS 108 N -3.28 3.39 -0.04 2.43 3.76 -1.26 -0.33 115.29 119.97 2ptf s HIS 108 Ca 0.30 0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 55.50 2ptf s HIS 108 Cb 0.05 -1.99 0.03 0.00 1.11 0.00 0.00 32.58 31.78 2ptf s HIS 108 CO 0.10 0.45 0.04 -0.47 -0.85 0.00 0.00 174.74 174.02 2ptf s TYR 109 N -0.37 0.12 0.00 1.40 5.04 0.56 -4.90 117.35 119.19 2ptf s TYR 109 Ca 0.10 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.90 2ptf s TYR 109 Cb -0.12 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.76 2ptf s TYR 109 CO 0.02 -0.17 0.00 0.54 -1.34 0.00 0.00 175.55 174.60 2ptf n ARG 110 N 4.87 0.00 -0.69 4.97 1.74 -1.26 0.14 116.66 126.43 2ptf n ARG 110 Ca -0.12 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.94 2ptf n ARG 110 Cb 0.50 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.17 2ptf n ARG 110 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2ptf n ASP 111 N 1.24 4.04 -4.50 0.55 8.00 -1.26 -4.89 116.55 119.72 2ptf n ASP 111 Ca 0.00 -2.79 -0.27 0.00 0.71 0.00 0.00 54.79 52.44 2ptf n ASP 111 Cb 0.00 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.33 2ptf n ASP 111 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2ptf s PHE 112 N -2.23 2.48 -0.10 1.24 0.08 0.37 -5.09 117.98 114.72 2ptf s PHE 112 Ca 0.38 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 57.08 2ptf s PHE 112 Cb 0.30 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2ptf s PHE 112 CO 0.10 0.51 0.15 -0.51 -0.10 0.00 0.00 175.22 175.37 2ptf s LEU 113 N -2.78 4.39 0.34 -0.37 1.43 -1.26 -0.33 118.68 120.10 2ptf s LEU 113 Ca 0.23 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2ptf s LEU 113 Cb -0.08 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2ptf s LEU 113 CO 0.13 0.39 0.10 -1.38 0.23 0.00 0.00 176.35 175.82 2ptf s HIS 114 N -1.07 1.79 -0.24 0.29 -3.43 0.55 -4.28 115.29 108.90 2ptf s HIS 114 Ca 0.17 -1.15 -0.29 0.00 -0.80 0.00 0.00 55.06 52.98 2ptf s HIS 114 Cb -0.12 -1.13 0.00 0.00 -1.43 0.00 0.00 32.58 29.90 2ptf s HIS 114 CO 0.06 -0.21 1.14 -1.17 -2.00 0.00 0.00 174.74 172.56 2ptf s LEU 115 N -3.49 4.07 -0.11 5.38 2.96 -1.26 -0.21 118.68 126.01 2ptf s LEU 115 Ca 0.32 1.39 -0.35 0.00 -0.22 0.00 0.00 54.13 55.27 2ptf s LEU 115 Cb 0.06 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.09 2ptf s LEU 115 CO 0.15 -0.79 1.87 -1.14 -1.32 0.00 0.00 176.35 175.12 2ptf n ARG 116 N 6.63 2.06 -0.38 1.98 0.00 0.15 -2.16 116.66 124.94 2ptf n ARG 116 Ca 0.13 0.76 0.00 0.00 -0.00 0.00 0.00 57.85 58.73 2ptf n ARG 116 Cb 0.46 -2.58 0.00 0.00 0.00 0.00 0.00 32.46 30.34 2ptf n ARG 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ptf n GLY 117 N 4.39 0.74 3.74 5.14 0.00 -1.26 -4.95 105.19 113.00 2ptf n GLY 117 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2ptf n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ptf n ALA 118 N -0.87 2.12 0.24 4.61 0.00 -0.92 -4.89 120.51 120.79 2ptf n ALA 118 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.87 2ptf n ALA 118 Cb 0.00 -2.39 0.60 0.00 0.00 0.00 0.00 19.45 17.66 2ptf n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2ptf h ASP 119 N 3.46 0.03 -5.00 0.00 3.32 -1.60 -3.44 116.42 113.19 2ptf h ASP 119 Ca -0.48 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 2ptf h ASP 119 Cb 1.25 -0.01 -0.17 0.00 0.22 0.00 0.00 39.33 40.62 2ptf h ASP 119 CO 0.69 0.06 0.20 0.00 -1.72 0.00 0.00 179.24 178.46 2ptf s ALA 120 N -5.02 -1.71 0.05 3.45 0.00 -1.22 -0.31 121.76 117.00 2ptf s ALA 120 Ca -0.05 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2ptf s ALA 120 Cb 0.17 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2ptf s ALA 120 CO 0.68 -0.51 0.33 -0.59 0.00 0.00 0.00 175.76 175.67 2ptf s PHE 121 N -2.07 -0.14 0.02 0.00 -0.12 -0.50 -0.18 117.98 115.00 2ptf s PHE 121 Ca -0.07 0.00 0.03 0.00 -0.05 0.00 0.00 56.93 56.85 2ptf s PHE 121 Cb -0.00 0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 2ptf s PHE 121 CO 0.02 -0.53 -0.11 -0.59 -0.05 0.00 0.00 175.22 173.96 2ptf s PHE 122 N -2.65 0.93 0.42 3.49 -0.12 0.06 -1.24 117.98 118.86 2ptf s PHE 122 Ca -0.04 -0.30 -0.23 0.00 -0.05 0.00 0.00 56.93 56.30 2ptf s PHE 122 Cb -0.00 -0.56 -0.09 0.00 -0.63 0.00 0.00 43.02 41.73 2ptf s PHE 122 CO -0.04 -0.01 1.05 0.95 -0.05 0.00 0.00 175.22 177.13 2ptf s THR 123 N -0.72 3.72 -0.03 -4.49 -4.23 -0.87 -1.18 115.64 107.84 2ptf s THR 123 Ca -0.00 1.27 -0.05 0.00 -1.18 0.00 0.00 61.69 61.73 2ptf s THR 123 Cb -0.07 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.15 2ptf s THR 123 CO 0.01 -0.04 0.12 0.00 -0.54 0.00 0.00 174.62 174.17 2ptf s ALA 124 N -1.71 -0.29 -0.07 3.99 0.00 -0.48 -0.13 121.76 123.08 2ptf s ALA 124 Ca 0.60 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.74 2ptf s ALA 124 Cb -0.21 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2ptf s ALA 124 CO 0.26 -0.11 -0.16 -1.21 0.00 0.00 0.00 175.76 174.54 2ptf s GLU 125 N -0.45 2.08 0.23 0.00 2.02 -0.42 -2.46 118.70 119.70 2ptf s GLU 125 Ca -0.05 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 2ptf s GLU 125 Cb -0.03 -1.68 -0.10 0.00 0.10 0.00 0.00 34.13 32.42 2ptf s GLU 125 CO 0.00 0.11 1.42 0.08 0.02 0.00 0.00 175.26 176.89 2ptf s VAL 126 N 0.46 2.80 -0.03 2.63 1.01 -0.00 -0.84 120.40 126.43 2ptf s VAL 126 Ca -0.14 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.58 2ptf s VAL 126 Cb -0.16 -3.42 -0.13 0.00 0.00 0.00 0.00 36.38 32.67 2ptf s VAL 126 CO 0.05 0.10 0.16 1.33 0.00 0.00 0.00 175.10 176.74 2ptf n VAL 127 N 2.56 0.12 -3.50 2.92 0.24 0.82 -4.86 118.33 116.63 2ptf n VAL 127 Ca 0.07 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 2ptf n VAL 127 Cb 0.41 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 2ptf n VAL 127 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2ptf s SER 128 N -3.24 -0.47 0.01 -1.34 1.04 -1.11 -5.01 113.70 103.57 2ptf s SER 128 Ca -0.03 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2ptf s SER 128 Cb 0.05 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2ptf s SER 128 CO 0.37 -0.64 -0.02 -0.69 0.98 0.00 0.00 173.24 173.23 2ptf s VAL 129 N -2.46 0.14 -0.01 5.02 1.01 -1.26 -0.98 120.40 121.87 2ptf s VAL 129 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2ptf s VAL 129 Cb -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.19 2ptf s VAL 129 CO -0.04 -0.17 -0.01 -0.75 0.00 0.00 0.00 175.10 174.14 2ptf s LYS 130 N -0.60 0.10 -0.18 2.72 2.20 -0.48 -4.99 119.74 118.51 2ptf s LYS 130 Ca -0.05 -0.00 -0.13 0.00 -0.36 0.00 0.00 55.97 55.42 2ptf s LYS 130 Cb -0.04 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.08 2ptf s LYS 130 CO -0.00 -0.01 0.24 0.21 -0.36 0.00 0.00 175.35 175.43 2ptf s LYS 131 N 0.20 4.21 -0.06 4.03 2.20 -1.26 -1.28 119.74 127.78 2ptf s LYS 131 Ca -0.02 -0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 2ptf s LYS 131 Cb -0.03 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 2ptf s LYS 131 CO -0.01 0.21 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.50 2ptf s LEU 132 N 0.60 2.47 0.49 5.43 1.02 0.15 -4.97 118.68 123.88 2ptf s LEU 132 Ca 0.13 -0.33 -0.05 0.00 0.02 0.00 0.00 54.13 53.91 2ptf s LEU 132 Cb -0.13 -1.49 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 2ptf s LEU 132 CO 0.03 0.29 0.79 -0.69 0.02 0.00 0.00 176.35 176.79 2ptf s VAL 133 N -0.43 4.67 -0.01 -1.59 1.01 -1.26 0.03 120.40 122.82 2ptf s VAL 133 Ca 0.05 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2ptf s VAL 133 Cb -0.12 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2ptf s VAL 133 CO 0.02 -0.75 -0.02 -0.70 0.00 0.00 0.00 175.10 173.64 2ptf s GLU 140 N -4.75 2.71 0.04 2.72 2.12 -1.26 -4.98 118.70 115.30 2ptf s GLU 140 Ca 0.48 -0.64 -0.27 0.00 0.36 0.00 0.00 54.97 54.91 2ptf s GLU 140 Cb -0.10 -2.62 0.09 0.00 0.26 0.00 0.00 34.13 31.76 2ptf s GLU 140 CO 0.44 0.62 0.79 -1.54 -0.54 0.00 0.00 175.26 175.04 2ptf s SER 141 N -1.45 -0.44 0.18 -1.70 1.04 -1.26 -5.16 113.70 104.92 2ptf s SER 141 Ca 0.18 0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.38 2ptf s SER 141 Cb -0.11 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.38 2ptf s SER 141 CO 0.09 -0.73 0.81 -0.70 0.98 0.00 0.00 173.24 173.69 2ptf s GLU 142 N -3.21 4.63 0.01 4.02 2.12 -1.26 -5.00 118.70 120.01 2ptf s GLU 142 Ca 0.03 1.23 0.01 0.00 0.36 0.00 0.00 54.97 56.60 2ptf s GLU 142 Cb -0.01 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2ptf s GLU 142 CO -0.09 0.56 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.96 2ptf s LEU 143 N -1.14 2.09 -0.18 2.70 0.20 0.11 -2.38 118.68 120.08 2ptf s LEU 143 Ca 0.37 -0.24 -0.03 0.00 0.69 0.00 0.00 54.13 54.92 2ptf s LEU 143 Cb -0.24 -0.18 -0.02 0.00 -0.43 0.00 0.00 46.19 45.33 2ptf s LEU 143 CO 0.27 -0.05 -0.05 -1.00 -0.29 0.00 0.00 176.35 175.24 2ptf s HIS 144 N -0.55 2.96 -0.36 5.38 3.76 0.29 0.34 115.29 127.11 2ptf s HIS 144 Ca -0.03 -0.59 -0.22 0.00 -0.15 0.00 0.00 55.06 54.07 2ptf s HIS 144 Cb -0.05 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.64 2ptf s HIS 144 CO -0.00 -0.27 0.72 0.08 -0.85 0.00 0.00 174.74 174.42 2ptf s VAL 145 N 0.84 4.79 -0.22 -0.90 1.01 -0.40 -0.34 120.40 125.18 2ptf s VAL 145 Ca -0.01 0.75 -0.00 0.00 0.00 0.00 0.00 61.98 62.71 2ptf s VAL 145 Cb -0.15 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2ptf s VAL 145 CO 0.01 -0.39 -0.12 -0.69 0.00 0.00 0.00 175.10 173.91 2ptf s VAL 146 N 2.94 2.51 -0.10 2.92 1.01 -0.26 -1.38 120.40 128.05 2ptf s VAL 146 Ca 0.28 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2ptf s VAL 146 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2ptf s VAL 146 CO 0.16 0.32 0.11 -0.54 0.00 0.00 0.00 175.10 175.15 2ptf s LYS 147 N 1.30 3.32 0.04 2.72 1.02 -0.15 -0.55 119.74 127.43 2ptf s LYS 147 Ca 0.01 -0.22 -0.02 0.00 0.02 0.00 0.00 55.97 55.76 2ptf s LYS 147 Cb -0.15 -3.08 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2ptf s LYS 147 CO -0.08 0.75 0.02 0.00 -0.92 0.00 0.00 175.35 175.12 2ptf s ALA 148 N -1.03 0.18 -0.15 5.17 0.00 -0.19 -0.13 121.76 125.61 2ptf s ALA 148 Ca 0.16 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.25 2ptf s ALA 148 Cb -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2ptf s ALA 148 CO 0.05 -0.29 0.14 0.50 0.00 0.00 0.00 175.76 176.16 2ptf s ARG 149 N -2.72 3.75 0.10 0.00 3.52 -0.02 -1.99 118.95 121.58 2ptf s ARG 149 Ca -0.04 -0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 2ptf s ARG 149 Cb -0.01 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 2ptf s ARG 149 CO -0.05 0.58 0.98 0.00 -0.81 0.00 0.00 175.30 176.00 2ptf s ALA 150 N -0.46 3.24 0.00 6.12 0.00 0.14 -1.30 121.76 129.50 2ptf s ALA 150 Ca 0.12 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2ptf s ALA 150 Cb -0.12 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2ptf s ALA 150 CO 0.02 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2ptf n GLY 151 N 2.35 0.06 3.77 0.00 0.00 0.82 -4.95 105.19 107.25 2ptf n GLY 151 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2ptf n GLY 151 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ptf s ASP 152 N -0.73 6.99 -0.23 1.61 1.01 -1.26 -4.87 116.67 119.19 2ptf s ASP 152 Ca 0.00 1.18 -0.05 0.00 0.71 0.00 0.00 52.55 54.39 2ptf s ASP 152 Cb 0.00 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 2ptf s ASP 152 CO 0.00 0.13 -0.01 -0.69 0.21 0.00 0.00 175.17 174.81 2ptf s VAL 153 N -0.36 3.62 -0.19 -1.27 1.01 -1.16 -2.04 120.40 120.01 2ptf s VAL 153 Ca 0.31 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2ptf s VAL 153 Cb -0.18 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.57 2ptf s VAL 153 CO 0.18 0.40 -0.13 -0.04 0.00 0.00 0.00 175.10 175.51 2ptf s MET 154 N 1.47 2.29 -0.15 2.72 -1.94 -0.37 0.73 119.30 124.05 2ptf s MET 154 Ca 0.06 -0.80 0.01 0.00 -1.71 0.00 0.00 55.69 53.25 2ptf s MET 154 Cb -0.14 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.31 2ptf s MET 154 CO -0.01 -0.34 -0.18 0.50 -0.01 0.00 0.00 175.02 174.97 2ptf s ARG 155 N 1.38 3.11 0.52 2.03 3.52 0.77 -1.40 118.95 128.88 2ptf s ARG 155 Ca 0.01 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 54.77 2ptf s ARG 155 Cb -0.15 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 2ptf s ARG 155 CO -0.10 -0.01 0.79 0.00 -0.81 0.00 0.00 175.30 175.17 2ptf s ALA 156 N 0.85 3.47 0.51 6.12 0.00 0.58 -0.01 121.76 133.29 2ptf s ALA 156 Ca -0.05 -0.77 0.20 0.00 0.00 0.00 0.00 51.96 51.34 2ptf s ALA 156 Cb -0.15 -2.44 1.37 0.00 0.00 0.00 0.00 23.12 21.89 2ptf s ALA 156 CO -0.02 -0.55 2.14 0.93 0.00 0.00 0.00 175.76 178.26 2ptf h GLU 157 N 0.12 0.00 0.00 0.00 4.39 -1.84 -1.51 114.58 115.74 2ptf h GLU 157 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2ptf h GLU 157 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2ptf h GLU 157 CO 0.60 0.05 0.00 -1.13 -1.16 0.00 0.00 179.01 177.37 2ptf n SER 158 N -4.24 0.00 -4.74 1.42 3.41 -1.26 -4.85 113.62 103.36 2ptf n SER 158 Ca -0.03 -0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 57.84 2ptf n SER 158 Cb 0.13 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 2ptf n SER 158 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2ptf s PHE 159 N -2.28 3.38 0.18 7.33 5.36 -0.57 -4.90 117.98 126.48 2ptf s PHE 159 Ca 0.25 1.37 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 2ptf s PHE 159 Cb 0.14 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.34 2ptf s PHE 159 CO 0.27 -1.39 0.00 0.54 -1.46 0.00 0.00 175.22 173.19 2ptf n ARG 160 N 2.59 0.00 -3.78 10.12 5.12 -1.26 -5.05 116.66 124.40 2ptf n ARG 160 Ca 0.05 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.87 2ptf n ARG 160 Cb 0.44 -0.30 -0.06 0.00 -1.16 0.00 0.00 32.46 31.38 2ptf n ARG 160 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ptf s MET 161 N -2.00 0.90 0.16 5.56 0.23 -1.26 -5.06 119.30 117.83 2ptf s MET 161 Ca 0.00 -0.82 -0.27 0.00 -1.03 0.00 0.00 55.69 53.57 2ptf s MET 161 Cb 0.00 0.38 -0.07 0.00 -1.53 0.00 0.00 34.83 33.60 2ptf s MET 161 CO 0.00 -0.31 0.84 0.00 -2.03 0.00 0.00 175.02 173.52 2ptf s ALA 162 N -3.65 3.38 0.13 3.16 0.00 -1.26 -4.91 121.76 118.61 2ptf s ALA 162 Ca 0.03 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 2ptf s ALA 162 Cb 0.03 -3.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 2ptf s ALA 162 CO -0.10 0.19 1.43 -1.17 0.00 0.00 0.00 175.76 176.10 2ptf s LEU 163 N -0.81 4.37 -0.01 0.00 2.96 -1.26 -4.95 118.68 118.98 2ptf s LEU 163 Ca 0.39 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 2ptf s LEU 163 Cb -0.23 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.88 2ptf s LEU 163 CO 0.28 -0.69 0.01 0.21 -1.32 0.00 0.00 176.35 174.84 2ptf s ASN 164 N 1.07 0.15 0.00 3.68 3.84 -1.26 -0.54 114.94 121.88 2ptf s ASN 164 Ca 0.65 0.00 0.29 0.00 0.21 0.00 0.00 52.86 54.02 2ptf s ASN 164 Cb -0.38 -0.07 1.36 0.00 -0.55 0.00 0.00 41.25 41.61 2ptf s ASN 164 CO 0.31 -0.05 1.92 0.54 -2.79 0.00 0.00 177.10 177.03 2ptf n ARG 165 N 3.61 1.41 -0.05 0.43 1.74 -1.26 -4.32 116.66 118.21 2ptf n ARG 165 Ca -0.20 -0.59 -0.09 0.00 -0.77 0.00 0.00 57.85 56.20 2ptf n ARG 165 Cb 0.55 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 2ptf n ARG 165 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2ptf h GLY 166 N 4.92 0.27 1.47 -0.13 0.00 -1.89 -0.15 103.07 107.56 2ptf h GLY 166 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 2ptf h GLY 166 CO 0.00 0.03 -0.20 1.19 0.00 0.00 0.00 176.54 177.56 2ptf h ILE 167 N 0.18 1.26 -0.53 2.60 6.09 -2.00 -2.06 117.51 123.06 2ptf h ILE 167 Ca 0.09 -1.23 -0.10 0.00 -1.37 0.00 0.00 64.86 62.26 2ptf h ILE 167 Cb 0.06 1.22 -0.02 0.00 0.47 0.00 0.00 36.82 38.55 2ptf h ILE 167 CO -0.10 0.40 -0.06 0.22 -3.07 0.00 0.00 178.15 175.55 2ptf h TYR 168 N 0.55 1.03 -0.70 2.19 3.20 -1.71 0.68 116.97 122.22 2ptf h TYR 168 Ca 0.09 -0.18 0.03 0.00 3.14 0.00 0.00 58.73 61.80 2ptf h TYR 168 Cb 0.64 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 2ptf h TYR 168 CO 0.03 0.95 0.44 0.00 -1.64 0.00 0.00 178.16 177.94 2ptf h ALA 169 N 1.07 0.91 -0.22 1.82 0.00 -0.44 0.03 119.26 122.43 2ptf h ALA 169 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2ptf h ALA 169 Cb 0.58 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ptf h ALA 169 CO 0.04 0.22 0.07 0.28 0.00 0.00 0.00 179.25 179.85 2ptf h VAL 170 N 0.86 1.19 -0.64 0.00 2.07 -1.00 -2.38 116.25 116.35 2ptf h VAL 170 Ca 0.28 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2ptf h VAL 170 Cb 0.01 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2ptf h VAL 170 CO -0.10 0.20 0.39 0.40 0.02 0.00 0.00 177.57 178.47 2ptf h ILE 171 N 0.18 1.06 -0.60 4.57 1.08 -0.34 0.13 117.51 123.60 2ptf h ILE 171 Ca 0.07 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 2ptf h ILE 171 Cb 0.24 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 2ptf h ILE 171 CO -0.00 0.14 0.24 -0.33 -0.69 0.00 0.00 178.15 177.50 2ptf h GLU 172 N 0.76 0.89 -0.72 2.37 4.39 -0.99 -2.02 114.58 119.26 2ptf h GLU 172 Ca 0.26 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 2ptf h GLU 172 Cb 0.05 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2ptf h GLU 172 CO -0.12 0.76 0.26 0.77 -1.16 0.00 0.00 179.01 179.53 2ptf h SER 173 N 0.83 1.01 0.14 1.42 0.02 -0.71 -1.29 113.55 114.96 2ptf h SER 173 Ca 0.20 -0.17 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 2ptf h SER 173 Cb 0.20 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2ptf h SER 173 CO -0.02 0.92 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.95 2ptf h LEU 174 N 1.06 0.51 -0.16 5.07 3.38 -0.40 -0.05 115.31 124.71 2ptf h LEU 174 Ca 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2ptf h LEU 174 Cb 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ptf h LEU 174 CO -0.01 0.97 -0.05 0.40 0.09 0.00 0.00 178.44 179.84 2ptf h ILE 175 N 0.34 1.30 -0.72 1.22 2.04 -1.26 -0.71 117.51 119.73 2ptf h ILE 175 Ca 0.00 -1.05 0.10 0.00 1.00 0.00 0.00 64.86 64.91 2ptf h ILE 175 Cb 1.11 1.65 -0.07 0.00 -0.74 0.00 0.00 36.82 38.76 2ptf h ILE 175 CO 0.10 0.31 0.35 0.00 0.00 0.00 0.00 178.15 178.91 2ptf h ALA 176 N 0.70 1.00 -0.43 1.87 0.00 -1.16 -2.01 119.26 119.22 2ptf h ALA 176 Ca 0.04 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2ptf h ALA 176 Cb 0.50 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2ptf h ALA 176 CO 0.02 -0.07 0.19 -0.92 0.00 0.00 0.00 179.25 178.46 2ptf h TYR 177 N 0.58 0.34 0.00 0.00 3.20 -0.52 -1.25 116.97 119.32 2ptf h TYR 177 Ca 0.36 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 2ptf h TYR 177 Cb 0.41 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 2ptf h TYR 177 CO -0.11 0.15 -0.03 1.79 -1.64 0.00 0.00 178.16 178.31 2ptf h THR 178 N 0.38 0.13 -0.68 1.81 1.35 -0.45 -1.99 112.91 113.45 2ptf h THR 178 Ca 0.20 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2ptf h THR 178 Cb 0.15 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2ptf h THR 178 CO -0.17 0.03 0.00 0.54 -0.25 0.00 0.00 175.52 175.67 2ptf n ARG 179 N -3.20 3.61 0.12 4.72 1.74 -0.53 -4.71 116.66 118.41 2ptf n ARG 179 Ca -0.01 -2.88 -0.13 0.00 -0.77 0.00 0.00 57.85 54.06 2ptf n ARG 179 Cb 0.23 -1.86 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 2ptf n ARG 179 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ptf h ALA 180 N 4.23 -0.31 0.00 7.54 0.00 -0.69 -2.41 119.26 127.62 2ptf h ALA 180 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ptf h ALA 180 Cb 1.40 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2ptf h ALA 180 CO 0.20 -0.70 -0.02 0.93 0.00 0.00 0.00 179.25 179.66 2ptf h GLU 181 N -0.35 0.00 -0.36 0.00 5.08 -1.84 -2.79 114.58 114.32 2ptf h GLU 181 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2ptf h GLU 181 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2ptf h GLU 181 CO -0.05 0.02 0.00 1.19 -1.00 0.00 0.00 179.01 179.17 2ptf n PHE 182 N -3.18 0.47 -4.36 4.33 3.72 -0.92 -4.97 117.46 112.55 2ptf n PHE 182 Ca -0.02 -0.23 -0.18 0.00 -0.05 0.00 0.00 57.45 56.97 2ptf n PHE 182 Cb 0.17 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.61 2ptf n PHE 182 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2ptf s SER 183 N -1.46 1.59 0.10 4.37 1.04 -1.05 -5.13 113.70 113.16 2ptf s SER 183 Ca 0.38 -1.40 -0.27 0.00 0.48 0.00 0.00 55.95 55.13 2ptf s SER 183 Cb 0.21 0.11 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 2ptf s SER 183 CO 0.30 -0.71 0.86 1.51 0.98 0.00 0.00 173.24 176.18 2ptf s ASP 184 N -3.37 7.39 0.66 7.02 1.47 -1.26 -4.91 116.67 123.66 2ptf s ASP 184 Ca 0.37 1.65 0.36 0.00 1.18 0.00 0.00 52.55 56.11 2ptf s ASP 184 Cb 0.08 -2.53 1.97 0.00 -0.34 0.00 0.00 42.92 42.09 2ptf s ASP 184 CO 0.14 0.02 2.12 -0.65 0.68 0.00 0.00 175.17 177.48 2ptf h PRO 185 N 5.35 0.00 0.00 2.11 0.11 -1.99 -2.77 132.00 134.80 2ptf h PRO 185 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2ptf h PRO 185 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ptf h PRO 185 CO 0.70 0.00 -0.18 1.25 -0.21 0.00 0.00 178.00 179.57 2ptf h LEU 186 N 0.00 0.00 -0.75 2.35 6.46 -1.98 0.94 115.31 122.33 2ptf h LEU 186 Ca 0.01 -0.83 -0.01 0.00 -0.12 0.00 0.00 57.88 56.94 2ptf h LEU 186 Cb 0.38 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 2ptf h LEU 186 CO -0.00 1.02 0.44 0.58 -0.62 0.00 0.00 178.44 179.86 2ptf h VAL 187 N -1.00 1.22 -0.20 1.05 2.07 -1.93 -1.88 116.25 115.57 2ptf h VAL 187 Ca -0.05 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.00 2ptf h VAL 187 Cb 0.94 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2ptf h VAL 187 CO -0.03 0.23 0.06 0.25 0.02 0.00 0.00 177.57 178.10 2ptf h LEU 188 N 1.03 0.05 -0.72 2.57 5.85 -1.52 -0.02 115.31 122.55 2ptf h LEU 188 Ca 0.27 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.14 2ptf h LEU 188 Cb -0.02 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 2ptf h LEU 188 CO -0.05 0.06 0.30 -0.09 -0.34 0.00 0.00 178.44 178.32 2ptf h ARG 189 N 0.15 0.45 -0.13 1.25 2.43 -0.66 -1.61 114.38 116.27 2ptf h ARG 189 Ca 0.09 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.03 2ptf h ARG 189 Cb 0.07 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2ptf h ARG 189 CO -0.10 0.30 -0.74 1.49 -1.51 0.00 0.00 179.97 179.41 2ptf h GLU 190 N 0.47 0.62 -0.25 0.20 4.57 -0.86 -1.76 114.58 117.58 2ptf h GLU 190 Ca 0.38 -0.49 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 2ptf h GLU 190 Cb 0.53 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2ptf h GLU 190 CO -0.36 1.12 -0.07 -0.09 -1.18 0.00 0.00 179.01 178.42 2ptf h ARG 191 N 0.43 0.49 -0.82 1.92 2.43 -0.69 -1.26 114.38 116.87 2ptf h ARG 191 Ca -0.04 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 2ptf h ARG 191 Cb 1.34 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 2ptf h ARG 191 CO 0.14 0.72 0.39 0.82 -1.51 0.00 0.00 179.97 180.53 2ptf h ILE 192 N 0.22 1.26 -0.24 1.20 1.08 -1.35 -1.05 117.51 118.63 2ptf h ILE 192 Ca 0.06 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 2ptf h ILE 192 Cb 0.54 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 2ptf h ILE 192 CO 0.03 0.31 0.16 0.00 -0.69 0.00 0.00 178.15 177.95 2ptf h ALA 193 N 1.21 0.31 -0.29 1.87 0.00 -1.11 0.19 119.26 121.44 2ptf h ALA 193 Ca 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2ptf h ALA 193 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2ptf h ALA 193 CO -0.04 -0.21 -0.29 1.49 0.00 0.00 0.00 179.25 180.21 2ptf h GLU 194 N 0.32 0.59 -0.09 0.00 4.57 -1.00 -1.48 114.58 117.49 2ptf h GLU 194 Ca 0.09 -0.25 -0.15 0.00 -1.18 0.00 0.00 59.36 57.87 2ptf h GLU 194 Cb -0.03 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2ptf h GLU 194 CO -0.02 0.81 -0.61 0.52 -1.18 0.00 0.00 179.01 178.53 2ptf h MET 195 N 0.51 0.33 -0.26 1.92 2.86 -0.91 -2.13 114.93 117.25 2ptf h MET 195 Ca 0.06 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2ptf h MET 195 Cb 0.76 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 2ptf h MET 195 CO 0.06 0.84 0.14 -0.97 1.06 0.00 0.00 176.91 178.04 2ptf h ASN 196 N 0.24 0.22 -0.84 1.22 -1.24 -0.30 -1.32 115.58 113.57 2ptf h ASN 196 Ca -0.01 0.01 0.12 0.00 0.71 0.00 0.00 56.30 57.13 2ptf h ASN 196 Cb 1.13 -0.04 -0.08 0.00 0.73 0.00 0.00 38.32 40.06 2ptf h ASN 196 CO 0.10 0.16 0.46 0.03 -1.29 0.00 0.00 177.43 176.90 2ptf h ARG 197 N 0.30 0.71 0.29 6.67 3.08 -1.01 -0.36 114.38 124.06 2ptf h ARG 197 Ca 0.11 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2ptf h ARG 197 Cb 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2ptf h ARG 197 CO -0.06 0.47 -0.14 0.28 -1.07 0.00 0.00 179.97 179.45 2ptf h VAL 198 N 0.73 0.69 -0.84 2.04 2.07 -1.01 -1.02 116.25 118.91 2ptf h VAL 198 Ca 0.43 -0.70 0.14 0.00 0.82 0.00 0.00 66.70 67.38 2ptf h VAL 198 Cb 0.48 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.19 2ptf h VAL 198 CO -0.29 0.13 0.44 0.00 0.02 0.00 0.00 177.57 177.86 2ptf h ALA 199 N -0.29 1.25 -0.49 1.67 0.00 -1.09 0.12 119.26 120.42 2ptf h ALA 199 Ca -0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ptf h ALA 199 Cb 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2ptf h ALA 199 CO 0.07 -0.07 0.31 -0.09 0.00 0.00 0.00 179.25 179.46 2ptf h ARG 200 N 0.64 0.66 -0.13 0.00 2.43 -0.92 1.00 114.38 118.06 2ptf h ARG 200 Ca 0.45 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.37 2ptf h ARG 200 Cb 0.61 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2ptf h ARG 200 CO -0.35 0.47 -0.73 -0.22 -1.51 0.00 0.00 179.97 177.63 2ptf h LYS 201 N 0.66 0.59 0.00 0.20 3.64 -0.15 -3.38 116.57 118.14 2ptf h LYS 201 Ca 0.18 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2ptf h LYS 201 Cb -0.03 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2ptf h LYS 201 CO -0.04 1.09 -0.91 1.33 -2.27 0.00 0.00 179.45 178.66 2ptf n VAL 202 N -3.89 0.00 -3.26 2.00 0.24 0.30 -4.57 118.33 109.15 2ptf n VAL 202 Ca -0.05 -0.22 -0.21 0.00 -2.04 0.00 0.00 64.34 61.82 2ptf n VAL 202 Cb 0.71 0.60 0.03 0.00 -1.47 0.00 0.00 33.84 33.71 2ptf n VAL 202 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2ptf s GLY 203 N -2.29 1.94 0.11 7.63 0.00 0.34 -2.46 107.32 112.58 2ptf s GLY 203 Ca -0.01 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 42.87 2ptf s GLY 203 CO 0.26 -1.70 0.12 0.61 0.00 0.00 0.00 173.10 172.39 2ptf n GLY 204 N -2.00 2.42 0.33 0.20 0.00 -1.26 -4.75 105.19 100.13 2ptf n GLY 204 Ca 0.10 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 44.01 2ptf n GLY 204 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ptf h PRO 205 N 0.00 0.54 -0.17 1.61 0.11 -1.98 -2.22 132.00 129.89 2ptf h PRO 205 Ca -0.06 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 2ptf h PRO 205 Cb 0.25 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 2ptf h PRO 205 CO 0.09 0.36 -0.25 0.00 -0.21 0.00 0.00 178.00 177.99 2ptf h ARG 206 N 0.56 0.47 -0.23 1.05 3.08 -1.98 -0.37 114.38 116.96 2ptf h ARG 206 Ca 0.22 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2ptf h ARG 206 Cb 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2ptf h ARG 206 CO -0.06 0.87 0.10 0.93 -1.07 0.00 0.00 179.97 180.74 2ptf h GLU 207 N 0.11 0.33 -0.73 0.04 3.07 -1.91 0.32 114.58 115.81 2ptf h GLU 207 Ca 0.02 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 58.89 2ptf h GLU 207 Cb 0.82 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.61 2ptf h GLU 207 CO 0.06 0.35 0.42 0.87 -1.40 0.00 0.00 179.01 179.31 2ptf h LYS 208 N 0.23 0.73 -0.29 2.33 1.57 -1.42 -0.37 116.57 119.34 2ptf h LYS 208 Ca 0.08 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2ptf h LYS 208 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2ptf h LYS 208 CO -0.01 0.48 -0.26 1.49 -0.57 0.00 0.00 179.45 180.59 2ptf h GLU 209 N 0.75 0.57 -0.25 3.15 4.57 -0.82 -2.01 114.58 120.54 2ptf h GLU 209 Ca 0.33 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2ptf h GLU 209 Cb 0.21 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2ptf h GLU 209 CO -0.19 0.78 0.09 0.00 -1.18 0.00 0.00 179.01 178.51 2ptf h ALA 210 N 1.23 0.32 -0.61 2.92 0.00 -0.19 -1.38 119.26 121.55 2ptf h ALA 210 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2ptf h ALA 210 Cb 0.71 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2ptf h ALA 210 CO 0.05 -0.07 0.25 0.52 0.00 0.00 0.00 179.25 180.00 2ptf h MET 211 N 0.24 0.88 -0.50 0.00 2.86 -0.94 -1.75 114.93 115.72 2ptf h MET 211 Ca 0.08 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2ptf h MET 211 Cb 0.20 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2ptf h MET 211 CO -0.01 0.71 0.32 -0.09 1.06 0.00 0.00 176.91 178.91 2ptf h ARG 212 N 0.87 0.67 -0.64 1.72 2.43 -0.83 -1.28 114.38 117.32 2ptf h ARG 212 Ca 0.21 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2ptf h ARG 212 Cb 0.15 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2ptf h ARG 212 CO -0.02 0.46 0.13 0.00 -1.51 0.00 0.00 179.97 179.03 2ptf h ARG 213 N 0.68 1.02 0.34 0.20 3.08 -0.80 -1.61 114.38 117.29 2ptf h ARG 213 Ca 0.18 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2ptf h ARG 213 Cb -0.05 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2ptf h ARG 213 CO -0.04 0.92 -0.16 0.82 -1.07 0.00 0.00 179.97 180.44 2ptf h ILE 214 N 0.97 0.67 -0.80 2.04 2.04 -1.09 0.01 117.51 121.34 2ptf h ILE 214 Ca 0.20 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.67 2ptf h ILE 214 Cb 0.38 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2ptf h ILE 214 CO 0.01 0.09 0.48 0.40 0.00 0.00 0.00 178.15 179.13 2ptf h ILE 215 N -0.71 1.00 -0.14 -0.67 2.04 -1.22 -0.45 117.51 117.36 2ptf h ILE 215 Ca -0.05 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2ptf h ILE 215 Cb 0.49 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2ptf h ILE 215 CO 0.08 0.16 0.09 -0.61 0.00 0.00 0.00 178.15 177.86 2ptf h GLN 216 N 0.87 0.18 -0.80 2.37 4.15 -1.19 -1.72 115.11 118.98 2ptf h GLN 216 Ca 0.36 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.85 2ptf h GLN 216 Cb 0.20 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.79 2ptf h GLN 216 CO -0.19 0.13 0.46 0.00 -1.93 0.00 0.00 178.83 177.31 2ptf h ALA 217 N 1.04 1.11 -0.34 3.38 0.00 -0.43 -0.98 119.26 123.04 2ptf h ALA 217 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2ptf h ALA 217 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2ptf h ALA 217 CO -0.01 0.13 -0.01 -0.07 0.00 0.00 0.00 179.25 179.29 2ptf h LEU 218 N 0.81 0.50 -0.53 0.00 3.38 -0.71 -2.86 115.31 115.89 2ptf h LEU 218 Ca 0.37 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 2ptf h LEU 218 Cb 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2ptf h LEU 218 CO -0.22 0.58 -0.65 -0.33 0.09 0.00 0.00 178.44 177.91 2ptf h GLU 219 N 0.51 0.34 0.00 1.13 5.08 -0.58 -3.51 114.58 117.54 2ptf h GLU 219 Ca 0.11 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2ptf h GLU 219 Cb 0.34 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2ptf h GLU 219 CO 0.01 0.87 0.00 0.43 -1.00 0.00 0.00 179.01 179.33