#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 3.61 -0.01 7.34 2.12 -1.26 -5.02 118.70 125.47 2ptf s GLU 16 Ca 0.00 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2ptf s GLU 16 Cb 0.00 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 2ptf s GLU 16 CO 0.00 0.57 -0.09 0.71 -0.54 0.00 0.00 175.26 175.90 2ptf s TYR 17 N -0.44 2.83 -0.17 5.30 2.02 -1.26 -4.22 117.35 121.40 2ptf s TYR 17 Ca 0.11 -0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 56.66 2ptf s TYR 17 Cb -0.12 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 2ptf s TYR 17 CO 0.02 0.32 0.07 0.99 -1.57 0.00 0.00 175.55 175.38 2ptf s THR 18 N -0.91 4.85 0.03 -0.71 2.01 0.63 -4.85 115.64 116.69 2ptf s THR 18 Ca 0.15 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 2ptf s THR 18 Cb -0.11 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2ptf s THR 18 CO 0.05 0.48 1.01 -2.28 -0.69 0.00 0.00 174.62 173.19 2ptf s HIS 19 N 0.15 3.65 0.27 4.92 2.46 -1.26 -1.53 115.29 123.95 2ptf s HIS 19 Ca 0.05 1.66 0.06 0.00 0.47 0.00 0.00 55.06 57.31 2ptf s HIS 19 Cb -0.12 -3.15 -0.06 0.00 -0.13 0.00 0.00 32.58 29.12 2ptf s HIS 19 CO 0.00 -0.16 -0.06 -0.06 -2.47 0.00 0.00 174.74 172.00 2ptf s PHE 20 N 0.81 1.91 0.15 3.88 0.08 0.24 -5.00 117.98 120.04 2ptf s PHE 20 Ca 0.52 -0.70 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 2ptf s PHE 20 Cb -0.23 -1.07 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 2ptf s PHE 20 CO 0.29 0.26 1.34 -0.22 -0.10 0.00 0.00 175.22 176.79 2ptf h LYS 21 N 2.31 0.31 0.00 0.44 3.64 -1.94 -3.22 116.57 118.12 2ptf h LYS 21 Ca -0.40 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 58.67 2ptf h LYS 21 Cb 1.23 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2ptf h LYS 21 CO 0.67 1.03 0.07 -0.40 -2.27 0.00 0.00 179.45 178.55 2ptf n ASP 22 N -3.71 -0.22 0.00 4.20 5.68 -1.26 -4.80 116.55 116.44 2ptf n ASP 22 Ca -0.05 -1.12 0.08 0.00 -0.50 0.00 0.00 54.79 53.20 2ptf n ASP 22 Cb 0.82 0.36 0.37 0.00 -1.14 0.00 0.00 41.12 41.52 2ptf n ASP 22 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2ptf n LEU 23 N 0.00 0.01 0.24 -2.12 4.77 -0.29 -2.36 117.00 117.25 2ptf n LEU 23 Ca -0.00 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 2ptf n LEU 23 Cb 0.07 -0.50 0.41 0.00 -2.33 0.00 0.00 43.42 41.08 2ptf n LEU 23 CO 0.03 -0.21 0.86 1.56 -1.33 0.00 0.00 177.39 178.29 2ptf h GLN 24 N 0.00 0.00 0.00 3.23 4.20 -1.84 -0.80 115.11 119.90 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 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2ptf h GLN 24 CO 0.00 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.24 2ptf n ALA 25 N -2.13 1.71 0.54 3.87 0.00 -0.99 -2.02 120.51 121.50 2ptf n ALA 25 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.55 2ptf n ALA 25 Cb 0.44 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.59 2ptf n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ptf n LEU 26 N -1.94 1.88 -3.00 0.00 4.77 -0.34 -4.97 117.00 113.40 2ptf n LEU 26 Ca 0.03 -0.93 -0.22 0.00 -0.03 0.00 0.00 56.01 54.86 2ptf n LEU 26 Cb 0.22 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2ptf n LEU 26 CO 0.18 0.35 0.06 -0.62 -1.33 0.00 0.00 177.39 176.03 2ptf n GLU 27 N 0.47 -5.38 -2.85 3.23 1.02 -0.85 -4.48 120.64 111.79 2ptf n GLU 27 Ca 0.07 0.85 -0.38 0.00 -0.02 0.00 0.00 57.16 57.68 2ptf n GLU 27 Cb 0.31 -5.65 -0.06 0.00 -0.02 0.00 0.00 31.44 26.01 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 -5.79 4.57 -0.05 3.49 -1.94 -1.10 -4.97 119.30 113.52 2ptf s MET 28 Ca 0.35 1.26 0.05 0.00 -1.71 0.00 0.00 55.69 55.64 2ptf s MET 28 Cb -0.16 -2.95 -0.02 0.00 2.01 0.00 0.00 34.83 33.72 2ptf s MET 28 CO 0.44 0.37 -0.19 -1.21 -0.01 0.00 0.00 175.02 174.42 2ptf s GLU 29 N -1.79 2.50 0.25 2.03 2.02 -1.26 -4.70 118.70 117.74 2ptf s GLU 29 Ca 0.46 -0.80 -0.31 0.00 0.02 0.00 0.00 54.97 54.34 2ptf s GLU 29 Cb -0.20 -2.27 -0.13 0.00 0.10 0.00 0.00 34.13 31.63 2ptf s GLU 29 CO 0.25 0.52 1.44 0.54 0.02 0.00 0.00 175.26 178.03 2ptf n ARG 30 N 2.60 2.14 -0.20 1.61 1.74 -1.26 -2.04 116.66 121.25 2ptf n ARG 30 Ca -0.17 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2ptf n ARG 30 Cb 0.52 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 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 2.19 1.43 3.87 -0.13 0.00 0.13 -4.99 105.19 107.69 2ptf n GLY 31 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.41 3.70 -0.24 1.61 1.81 -0.86 -4.77 118.95 119.78 2ptf s ARG 32 Ca 0.00 0.12 -0.15 0.00 -1.72 0.00 0.00 55.73 53.98 2ptf s ARG 32 Cb 0.00 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.35 2ptf s ARG 32 CO 0.00 0.65 0.38 -1.17 -0.68 0.00 0.00 175.30 174.49 2ptf s LEU 33 N -1.52 4.08 -0.12 2.53 2.96 -1.16 -0.62 118.68 124.84 2ptf s LEU 33 Ca 0.26 0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 54.50 2ptf s LEU 33 Cb -0.14 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2ptf s LEU 33 CO 0.14 -0.14 0.06 -0.31 -1.32 0.00 0.00 176.35 174.78 2ptf s TYR 34 N 1.78 3.33 -0.19 5.38 2.02 0.32 -4.54 117.35 125.46 2ptf s TYR 34 Ca 0.17 0.28 -0.26 0.00 -0.37 0.00 0.00 57.07 56.89 2ptf s TYR 34 Cb -0.15 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 2ptf s TYR 34 CO 0.09 0.49 0.89 -1.21 -1.57 0.00 0.00 175.55 174.24 2ptf s GLU 35 N -0.65 4.28 0.27 -0.62 0.41 0.28 -0.21 118.70 122.46 2ptf s GLU 35 Ca 0.11 1.12 0.02 0.00 -0.41 0.00 0.00 54.97 55.82 2ptf s GLU 35 Cb -0.12 -3.60 -0.04 0.00 -1.78 0.00 0.00 34.13 28.60 2ptf s GLU 35 CO 0.02 -0.42 0.17 0.95 -0.49 0.00 0.00 175.26 175.50 2ptf s THR 36 N 2.46 0.13 -0.26 3.63 -4.23 -0.82 -4.15 115.64 112.41 2ptf s THR 36 Ca 0.40 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 2ptf s THR 36 Cb -0.16 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 2ptf s THR 36 CO 0.11 0.00 0.11 -0.63 -0.54 0.00 0.00 174.62 173.67 2ptf s ILE 37 N -3.79 4.65 -0.28 2.99 -1.09 -0.58 -1.33 121.20 121.77 2ptf s ILE 37 Ca 0.38 -0.06 -0.13 0.00 -2.23 0.00 0.00 60.65 58.62 2ptf s ILE 37 Cb 0.05 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 2ptf s ILE 37 CO 0.18 0.32 0.27 -0.69 -1.23 0.00 0.00 174.94 173.78 2ptf s VAL 38 N 1.60 5.25 -0.24 2.92 1.01 0.80 -0.01 120.40 131.73 2ptf s VAL 38 Ca 0.06 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 2ptf s VAL 38 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2ptf s VAL 38 CO 0.06 0.19 0.15 -0.69 0.00 0.00 0.00 175.10 174.82 2ptf s VAL 39 N 1.89 5.34 0.31 2.92 1.01 -0.38 -2.25 120.40 129.24 2ptf s VAL 39 Ca 0.10 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2ptf s VAL 39 Cb -0.16 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2ptf s VAL 39 CO 0.11 0.35 0.08 0.42 0.00 0.00 0.00 175.10 176.06 2ptf s THR 40 N 1.00 0.87 -0.04 3.92 -4.23 -0.28 -1.92 115.64 114.97 2ptf s THR 40 Ca 0.07 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 2ptf s THR 40 Cb -0.13 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.05 2ptf s THR 40 CO 0.04 0.00 0.36 -1.66 -0.54 0.00 0.00 174.62 172.82 2ptf s TRP 41 N -3.46 -0.27 0.58 3.99 -2.14 -1.26 0.99 118.94 117.36 2ptf s TRP 41 Ca 0.36 0.48 -0.10 0.00 2.66 0.00 0.00 56.10 59.50 2ptf s TRP 41 Cb 0.08 0.14 0.13 0.00 -3.10 0.00 0.00 33.47 30.72 2ptf s TRP 41 CO 0.15 -0.39 0.73 -0.40 -2.66 0.00 0.00 176.95 174.38 2ptf n ASP 42 N 1.47 -0.23 0.26 -2.66 5.68 -1.00 -4.80 116.55 115.28 2ptf n ASP 42 Ca -0.20 -1.20 0.15 0.00 -0.50 0.00 0.00 54.79 53.03 2ptf n ASP 42 Cb 0.56 -0.57 0.67 0.00 -1.14 0.00 0.00 41.12 40.64 2ptf n ASP 42 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2ptf h ASP 43 N -1.16 0.00 0.00 -1.12 3.04 -1.96 -1.19 116.42 114.03 2ptf h ASP 43 Ca -0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 2ptf h ASP 43 Cb 0.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 2ptf h ASP 43 CO 0.17 0.09 0.00 -1.20 -2.04 0.00 0.00 179.24 176.26 2ptf n SER 44 N -3.28 0.00 -1.67 4.15 7.64 -1.26 -4.91 113.62 114.29 2ptf n SER 44 Ca -0.00 -1.24 -0.18 0.00 1.01 0.00 0.00 58.87 58.46 2ptf n SER 44 Cb 0.31 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.81 -1.31 -2.36 1.43 2.81 -0.45 -4.98 117.12 111.45 2ptf n MET 45 Ca 0.13 0.99 -0.43 0.00 -1.81 0.00 0.00 57.70 56.58 2ptf n MET 45 Cb 0.06 -5.34 -0.02 0.00 -0.71 0.00 0.00 33.22 27.20 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 -2.76 4.15 0.51 2.03 1.01 -1.26 -4.82 120.40 119.26 2ptf s VAL 46 Ca 0.00 1.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.15 2ptf s VAL 46 Cb 0.00 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2ptf s VAL 46 CO 0.00 -0.19 1.18 -0.83 0.00 0.00 0.00 175.10 175.26 2ptf s GLY 47 N 2.37 2.74 0.01 4.51 0.00 -1.26 -2.38 107.32 113.32 2ptf s GLY 47 Ca 0.58 0.95 0.01 0.00 0.00 0.00 0.00 44.72 46.26 2ptf s GLY 47 CO 0.18 1.37 -0.05 0.21 0.00 0.00 0.00 173.10 174.82 2ptf s ASN 48 N -1.48 0.51 0.00 1.64 2.47 0.28 -4.93 114.94 113.44 2ptf s ASN 48 Ca 0.69 -0.27 0.02 0.00 0.42 0.00 0.00 52.86 53.72 2ptf s ASN 48 Cb -0.29 0.00 -0.01 0.00 -1.45 0.00 0.00 41.25 39.51 2ptf s ASN 48 CO 0.33 -0.08 -0.07 0.00 -3.72 0.00 0.00 177.10 173.56 2ptf s ALA 49 N -0.67 0.58 -0.09 1.71 0.00 -1.26 -1.12 121.76 120.91 2ptf s ALA 49 Ca -0.05 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 2ptf s ALA 49 Cb -0.05 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.02 2ptf s ALA 49 CO -0.00 0.11 0.68 0.00 0.00 0.00 0.00 175.76 176.55 2ptf s ALA 50 N -0.38 -1.74 0.16 0.00 0.00 -0.95 -4.83 121.76 114.01 2ptf s ALA 50 Ca 0.01 1.41 -0.31 0.00 0.00 0.00 0.00 51.96 53.06 2ptf s ALA 50 Cb -0.04 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 2ptf s ALA 50 CO -0.00 -0.36 1.50 -2.14 0.00 0.00 0.00 175.76 174.76 2ptf s PRO 51 N -0.93 4.25 -0.04 0.00 0.02 -1.26 -0.14 135.00 136.90 2ptf s PRO 51 Ca -0.09 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.17 2ptf s PRO 51 Cb -0.01 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.35 2ptf s PRO 51 CO 0.08 -0.54 0.09 0.42 -0.33 0.00 0.00 177.00 176.72 2ptf s ILE 52 N 1.03 -0.02 0.21 2.83 -1.09 -0.44 -4.88 121.20 118.85 2ptf s ILE 52 Ca 0.67 0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.85 2ptf s ILE 52 Cb -0.41 -0.14 -0.08 0.00 -1.58 0.00 0.00 42.46 40.24 2ptf s ILE 52 CO 0.32 0.02 1.06 -0.83 -1.23 0.00 0.00 174.94 174.28 2ptf s GLY 53 N 0.36 2.97 -0.20 6.18 0.00 -1.26 -1.94 107.32 113.44 2ptf s GLY 53 Ca -0.03 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2ptf s GLY 53 CO -0.01 1.51 -0.08 0.14 0.00 0.00 0.00 173.10 174.67 2ptf s VAL 54 N -0.65 1.45 -0.25 1.40 1.01 0.71 -4.41 120.40 119.66 2ptf s VAL 54 Ca 0.46 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2ptf s VAL 54 Cb -0.29 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2ptf s VAL 54 CO 0.36 0.09 0.70 -0.22 0.00 0.00 0.00 175.10 176.02 2ptf s LEU 55 N 1.47 4.07 -0.06 3.92 2.96 0.02 -0.52 118.68 130.55 2ptf s LEU 55 Ca -0.02 0.82 -0.30 0.00 -0.22 0.00 0.00 54.13 54.42 2ptf s LEU 55 Cb -0.17 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 2ptf s LEU 55 CO -0.08 -0.42 1.14 0.00 -1.32 0.00 0.00 176.35 175.67 2ptf n THR 57 N 4.51 0.00 -2.07 0.00 -2.24 -0.80 0.18 114.28 113.86 2ptf n THR 57 Ca 0.10 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2ptf n THR 57 Cb 0.47 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.56 -1.74 0.32 3.38 0.00 -1.22 -4.85 105.19 101.64 2ptf n GLY 58 Ca 0.03 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.98 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 0.46 0.00 1.61 3.32 -1.99 -3.25 116.42 116.57 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 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2ptf h ASP 59 CO 0.00 0.31 -0.48 -0.90 -1.72 0.00 0.00 179.24 176.45 2ptf n ASP 60 N -4.47 0.06 -4.24 6.45 5.75 -1.26 -1.14 116.55 117.69 2ptf n ASP 60 Ca 0.05 -2.01 -0.22 0.00 -0.01 0.00 0.00 54.79 52.60 2ptf n ASP 60 Cb 0.16 -0.20 -0.13 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.07 1.50 0.06 2.12 -4.23 -1.23 0.36 115.64 114.15 2ptf s THR 61 Ca 0.01 -1.40 -0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2ptf s THR 61 Cb 0.01 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 2ptf s THR 61 CO 0.00 -0.08 -0.00 0.68 -0.54 0.00 0.00 174.62 174.69 2ptf s VAL 62 N -1.13 0.20 0.02 2.29 -7.23 -0.79 -1.90 120.40 111.86 2ptf s VAL 62 Ca 0.04 -1.76 0.06 0.00 -1.81 0.00 0.00 61.98 58.51 2ptf s VAL 62 Cb -0.10 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2ptf s VAL 62 CO 0.03 -0.92 -0.18 -0.89 -0.31 0.00 0.00 175.10 172.83 2ptf s THR 63 N -3.93 1.46 0.05 5.32 2.01 -0.64 -0.44 115.64 119.47 2ptf s THR 63 Ca 0.08 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.16 2ptf s THR 63 Cb 0.08 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 2ptf s THR 63 CO -0.09 0.23 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.08 2ptf s LEU 64 N -0.90 2.18 -0.25 4.42 1.02 -0.08 -0.79 118.68 124.27 2ptf s LEU 64 Ca 0.06 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 53.64 2ptf s LEU 64 Cb -0.08 -1.12 0.03 0.00 0.02 0.00 0.00 46.19 45.04 2ptf s LEU 64 CO 0.01 0.20 -0.08 -0.31 0.02 0.00 0.00 176.35 176.19 2ptf s TYR 65 N -0.82 3.09 -0.19 0.29 2.02 -1.26 -0.98 117.35 119.50 2ptf s TYR 65 Ca 0.10 -1.72 -0.01 0.00 -0.37 0.00 0.00 57.07 55.07 2ptf s TYR 65 Cb -0.09 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2ptf s TYR 65 CO 0.02 -0.77 -0.14 -0.51 -1.57 0.00 0.00 175.55 172.58 2ptf s LEU 66 N 1.28 2.43 0.59 -1.29 1.43 -0.22 -4.91 118.68 117.99 2ptf s LEU 66 Ca -0.01 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 2ptf s LEU 66 Cb -0.17 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2ptf s LEU 66 CO -0.05 0.01 1.16 -0.31 0.23 0.00 0.00 176.35 177.40 2ptf s TYR 67 N 1.24 2.50 0.60 0.29 2.02 -1.26 -1.25 117.35 121.48 2ptf s TYR 67 Ca 0.03 1.54 -0.19 0.00 -0.37 0.00 0.00 57.07 58.08 2ptf s TYR 67 Cb -0.14 -3.37 -0.03 0.00 -0.40 0.00 0.00 41.96 38.02 2ptf s TYR 67 CO -0.07 -1.93 1.22 -0.65 -1.57 0.00 0.00 175.55 172.54 2ptf s GLN 68 N -3.46 2.94 0.00 -0.62 -0.21 -1.24 -4.08 119.66 112.99 2ptf s GLN 68 Ca 0.74 1.85 0.00 0.00 0.02 0.00 0.00 55.36 57.97 2ptf s GLN 68 Cb -0.26 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 31.82 2ptf s GLN 68 CO 0.33 -1.23 0.00 0.41 -2.12 0.00 0.00 175.29 172.67 2ptf n GLY 69 N 0.55 0.53 3.95 3.09 0.00 -1.26 -5.03 105.19 107.02 2ptf n GLY 69 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.11 4.85 0.32 2.61 -4.23 -1.26 -5.00 115.64 110.82 2ptf s THR 70 Ca 0.00 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 2ptf s THR 70 Cb 0.00 -3.76 0.09 0.00 1.34 0.00 0.00 72.50 70.17 2ptf s THR 70 CO 0.00 -0.46 1.79 0.03 -0.54 0.00 0.00 174.62 175.44 2ptf h ARG 71 N 0.76 0.31 -0.08 3.99 3.08 -1.96 -2.89 114.38 117.59 2ptf h ARG 71 Ca -0.49 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.48 2ptf h ARG 71 Cb 1.23 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 2ptf h ARG 71 CO 0.60 0.55 -0.08 1.15 -1.07 0.00 0.00 179.97 181.12 2ptf h THR 72 N 0.28 0.76 -0.18 2.04 2.02 -1.95 -0.05 112.91 115.83 2ptf h THR 72 Ca 0.04 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 2ptf h THR 72 Cb 0.60 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2ptf h THR 72 CO 0.04 0.00 -0.24 1.62 0.37 0.00 0.00 175.52 177.31 2ptf h VAL 73 N -0.10 1.34 -0.42 3.16 3.04 -1.82 -1.39 116.25 120.06 2ptf h VAL 73 Ca 0.06 -1.45 0.02 0.00 -1.01 0.00 0.00 66.70 64.32 2ptf h VAL 73 Cb 0.19 1.87 -0.03 0.00 -2.01 0.00 0.00 31.29 31.31 2ptf h VAL 73 CO -0.15 0.44 0.24 -0.33 -1.01 0.00 0.00 177.57 176.76 2ptf h GLU 74 N 0.12 0.48 -0.39 4.17 5.08 -1.53 0.19 114.58 122.71 2ptf h GLU 74 Ca 0.02 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2ptf h GLU 74 Cb 0.81 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2ptf h GLU 74 CO 0.06 0.32 0.20 -0.91 -1.00 0.00 0.00 179.01 177.67 2ptf h ASN 75 N 0.49 0.29 -0.56 1.42 2.35 -0.98 -1.19 115.58 117.40 2ptf h ASN 75 Ca 0.17 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 2ptf h ASN 75 Cb 0.02 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2ptf h ASN 75 CO -0.08 0.21 -0.02 1.62 -1.65 0.00 0.00 177.43 177.51 2ptf h VAL 76 N 0.40 1.27 0.00 2.81 3.04 -0.55 -2.45 116.25 120.77 2ptf h VAL 76 Ca 0.16 -1.16 -0.10 0.00 -1.01 0.00 0.00 66.70 64.59 2ptf h VAL 76 Cb 0.06 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 2ptf h VAL 76 CO -0.11 0.42 -0.49 -0.07 -1.01 0.00 0.00 177.57 176.31 2ptf h LEU 77 N 0.90 0.00 -0.53 3.16 3.38 -0.62 0.19 115.31 121.79 2ptf h LEU 77 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 2ptf h LEU 77 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2ptf h LEU 77 CO 0.03 0.49 -0.18 -1.13 0.09 0.00 0.00 178.44 177.74 2ptf h ASN 78 N 0.00 1.02 0.00 -0.43 -1.24 -0.82 -3.39 115.58 110.72 2ptf h ASN 78 Ca -0.00 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 56.64 2ptf h ASN 78 Cb 1.02 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.79 2ptf h ASN 78 CO 0.06 1.16 0.00 -0.46 -1.29 0.00 0.00 177.43 176.91 2ptf n ASN 79 N -4.12 0.40 -1.00 1.15 0.23 -0.96 -5.02 115.26 105.94 2ptf n ASN 79 Ca 0.01 -0.71 -0.13 0.00 -0.53 0.00 0.00 54.58 53.22 2ptf n ASN 79 Cb 0.44 0.33 -0.06 0.00 -2.08 0.00 0.00 39.78 38.41 2ptf n ASN 79 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ptf n GLY 80 N 0.33 1.35 3.12 4.83 0.00 0.67 -4.97 105.19 110.52 2ptf n GLY 80 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.03 0.71 0.02 1.61 0.52 -1.26 -1.23 118.95 116.29 2ptf s ARG 81 Ca 0.00 -0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 54.11 2ptf s ARG 81 Cb 0.00 -0.62 0.10 0.00 0.52 0.00 0.00 34.95 34.94 2ptf s ARG 81 CO 0.00 0.14 0.90 -0.59 0.02 0.00 0.00 175.30 175.77 2ptf s PHE 82 N -1.20 -0.30 0.02 -0.53 -0.12 -0.91 -4.67 117.98 110.26 2ptf s PHE 82 Ca -0.04 0.14 0.04 0.00 -0.05 0.00 0.00 56.93 57.02 2ptf s PHE 82 Cb -0.09 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 2ptf s PHE 82 CO 0.01 -0.59 -0.09 0.95 -0.05 0.00 0.00 175.22 175.45 2ptf s THR 83 N -3.14 3.49 -0.19 -4.49 -4.23 -0.81 -0.45 115.64 105.81 2ptf s THR 83 Ca 0.06 -0.88 -0.13 0.00 -1.18 0.00 0.00 61.69 59.57 2ptf s THR 83 Cb -0.01 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 2ptf s THR 83 CO -0.07 0.36 0.25 -0.69 -0.54 0.00 0.00 174.62 173.94 2ptf s VAL 84 N -1.00 5.32 -0.10 2.29 1.01 -0.40 -1.25 120.40 126.27 2ptf s VAL 84 Ca 0.17 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.62 2ptf s VAL 84 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2ptf s VAL 84 CO 0.08 0.36 -0.22 0.20 0.00 0.00 0.00 175.10 175.52 2ptf s ASN 85 N 0.68 2.89 -0.18 3.32 0.01 0.99 -1.50 114.94 121.15 2ptf s ASN 85 Ca 0.13 -0.52 -0.21 0.00 -0.71 0.00 0.00 52.86 51.55 2ptf s ASN 85 Cb -0.13 -1.32 -0.03 0.00 0.41 0.00 0.00 41.25 40.18 2ptf s ASN 85 CO 0.04 0.13 0.64 -0.69 -1.51 0.00 0.00 177.10 175.71 2ptf s VAL 86 N 0.44 5.02 0.08 1.60 1.01 0.15 -1.53 120.40 127.18 2ptf s VAL 86 Ca -0.17 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 2ptf s VAL 86 Cb -0.17 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2ptf s VAL 86 CO 0.07 0.13 0.38 0.28 0.00 0.00 0.00 175.10 175.97 2ptf s THR 87 N 1.73 0.07 -0.05 3.92 -1.32 -1.26 -1.18 115.64 117.55 2ptf s THR 87 Ca 0.30 -0.57 0.07 0.00 -1.21 0.00 0.00 61.69 60.28 2ptf s THR 87 Cb -0.16 -1.07 0.11 0.00 -1.51 0.00 0.00 72.50 69.87 2ptf s THR 87 CO 0.11 -0.32 1.01 0.18 -2.21 0.00 0.00 174.62 173.40 2ptf n LEU 88 N 0.16 1.84 -4.62 9.08 4.77 -1.26 -4.72 117.00 122.25 2ptf n LEU 88 Ca -0.17 -2.18 -0.43 0.00 -0.03 0.00 0.00 56.01 53.20 2ptf n LEU 88 Cb 0.62 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2ptf n LEU 88 CO 0.19 0.52 0.91 -0.62 -1.33 0.00 0.00 177.39 177.06 2ptf s ASP 89 N -1.61 6.76 0.53 -1.43 -1.08 -1.26 -4.92 116.67 113.65 2ptf s ASP 89 Ca 0.12 0.73 0.28 0.00 -0.52 0.00 0.00 52.55 53.16 2ptf s ASP 89 Cb 0.10 -2.52 1.46 0.00 -1.46 0.00 0.00 42.92 40.50 2ptf s ASP 89 CO 0.01 -0.98 2.07 1.55 0.52 0.00 0.00 175.17 178.34 2ptf h PRO 90 N 8.54 0.00 0.00 4.34 0.13 -2.00 -2.70 132.00 140.31 2ptf h PRO 90 Ca -0.22 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.76 2ptf h PRO 90 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2ptf h PRO 90 CO 1.04 0.11 -0.70 -0.07 -0.23 0.00 0.00 178.00 178.16 2ptf h LEU 91 N 0.00 0.00 -0.17 1.56 3.38 -1.98 -0.69 115.31 117.41 2ptf h LEU 91 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2ptf h LEU 91 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ptf h LEU 91 CO 0.01 0.70 -0.41 0.40 0.09 0.00 0.00 178.44 179.24 2ptf h ILE 92 N 0.00 1.34 -0.66 1.22 2.04 -1.91 0.14 117.51 119.68 2ptf h ILE 92 Ca -0.01 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.17 2ptf h ILE 92 Cb 1.30 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 2ptf h ILE 92 CO 0.09 0.51 0.32 -0.26 0.00 0.00 0.00 178.15 178.81 2ptf h PHE 93 N 0.24 0.95 -0.17 1.37 0.04 -1.48 -2.05 116.94 115.85 2ptf h PHE 93 Ca -0.00 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 2ptf h PHE 93 Cb 1.02 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 2ptf h PHE 93 CO 0.10 0.71 -0.08 1.15 -0.60 0.00 0.00 178.31 179.59 2ptf h THR 94 N 0.91 1.31 -0.01 -1.55 2.02 -1.09 -2.70 112.91 111.81 2ptf h THR 94 Ca 0.23 -1.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 2ptf h THR 94 Cb 0.12 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2ptf h THR 94 CO -0.03 0.33 -0.53 0.44 0.37 0.00 0.00 175.52 176.10 2ptf h ASP 95 N 0.02 0.03 0.58 4.18 3.32 -0.65 -1.29 116.42 122.61 2ptf h ASP 95 Ca 0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2ptf h ASP 95 Cb 0.55 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2ptf h ASP 95 CO 0.02 0.55 -0.01 -1.54 -1.72 0.00 0.00 179.24 176.55 2ptf n SER 96 N -3.91 0.03 -0.13 6.45 3.41 -0.78 -2.37 113.62 116.32 2ptf n SER 96 Ca -0.01 -0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.23 2ptf n SER 96 Cb 0.54 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.28 1.49 0.13 6.66 -1.04 -0.85 -4.55 114.28 114.84 2ptf n THR 97 Ca 0.14 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2ptf n THR 97 Cb 0.25 -1.59 0.12 0.00 -1.82 0.00 0.00 70.33 67.29 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 -0.39 0.00 0.00 -4.42 4.07 -1.36 -3.48 115.31 109.73 2ptf h LEU 98 Ca -0.62 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.34 2ptf h LEU 98 Cb 1.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.52 2ptf h LEU 98 CO -0.22 0.61 0.00 0.61 -1.08 0.00 0.00 178.44 178.36 2ptf n GLY 99 N 0.71 3.22 3.56 0.83 0.00 -1.00 -5.10 105.19 107.41 2ptf n GLY 99 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 4.33 0.45 1.61 1.01 -1.23 -4.36 116.67 120.47 2ptf s ASP 100 Ca 0.00 -0.37 -0.21 0.00 0.71 0.00 0.00 52.55 52.68 2ptf s ASP 100 Cb 0.00 -0.83 -0.10 0.00 1.01 0.00 0.00 42.92 43.00 2ptf s ASP 100 CO 0.00 0.20 1.00 -0.76 0.21 0.00 0.00 175.17 175.82 2ptf s LEU 101 N -2.01 3.94 0.68 1.23 1.43 -1.26 -4.83 118.68 117.86 2ptf s LEU 101 Ca 0.20 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 54.98 2ptf s LEU 101 Cb -0.11 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.64 2ptf s LEU 101 CO 0.12 -0.55 1.19 -1.61 0.23 0.00 0.00 176.35 175.73 2ptf s GLU 102 N -3.07 2.51 0.33 1.70 0.41 -1.26 -4.90 118.70 114.42 2ptf s GLU 102 Ca 0.63 1.70 0.10 0.00 -0.41 0.00 0.00 54.97 56.99 2ptf s GLU 102 Cb -0.14 -1.89 0.89 0.00 -1.78 0.00 0.00 34.13 31.22 2ptf s GLU 102 CO 0.18 -1.54 1.75 0.93 -0.49 0.00 0.00 175.26 176.10 2ptf h GLU 103 N 0.10 0.58 0.00 1.61 5.08 -1.98 0.12 114.58 120.08 2ptf h GLU 103 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2ptf h GLU 103 Cb 1.29 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ptf h GLU 103 CO 0.52 0.38 0.00 -0.40 -1.00 0.00 0.00 179.01 178.51 2ptf n ASP 104 N -4.79 0.00 -0.26 1.42 5.68 -1.26 -2.69 116.55 114.65 2ptf n ASP 104 Ca 0.25 -0.42 0.14 0.00 -0.50 0.00 0.00 54.79 54.27 2ptf n ASP 104 Cb 0.72 -0.08 0.64 0.00 -1.14 0.00 0.00 41.12 41.27 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 -1.08 1.21 -4.19 0.11 2.81 0.41 -4.80 117.12 111.60 2ptf n MET 105 Ca 0.12 -0.52 -0.34 0.00 -1.81 0.00 0.00 57.70 55.15 2ptf n MET 105 Cb 0.09 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 30.98 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 -2.15 3.05 0.18 2.03 0.08 -1.10 0.44 117.98 120.51 2ptf s PHE 106 Ca 0.37 -0.37 0.10 0.00 0.12 0.00 0.00 56.93 57.16 2ptf s PHE 106 Cb 0.21 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 2ptf s PHE 106 CO 0.39 -0.14 -0.16 -1.12 -0.10 0.00 0.00 175.22 174.09 2ptf s SER 107 N 0.73 3.92 -0.03 1.36 0.01 0.32 -4.81 113.70 115.20 2ptf s SER 107 Ca -0.00 -0.68 -0.06 0.00 1.31 0.00 0.00 55.95 56.52 2ptf s SER 107 Cb -0.14 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 2ptf s SER 107 CO 0.02 0.12 0.22 -1.38 0.41 0.00 0.00 173.24 172.63 2ptf s HIS 108 N -1.63 3.58 -0.13 2.43 -3.43 -1.26 0.22 115.29 115.07 2ptf s HIS 108 Ca 0.23 0.51 -0.04 0.00 -0.80 0.00 0.00 55.06 54.96 2ptf s HIS 108 Cb -0.09 -1.94 0.06 0.00 -1.43 0.00 0.00 32.58 29.19 2ptf s HIS 108 CO 0.13 0.65 0.16 -0.47 -2.00 0.00 0.00 174.74 173.21 2ptf s TYR 109 N -1.24 -0.15 0.00 0.38 5.04 0.47 -4.90 117.35 116.95 2ptf s TYR 109 Ca 0.25 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 2ptf s TYR 109 Cb -0.13 -0.35 0.00 0.00 0.35 0.00 0.00 41.96 41.83 2ptf s TYR 109 CO 0.14 -0.39 0.00 0.54 -1.34 0.00 0.00 175.55 174.50 2ptf n ARG 110 N 5.32 0.00 -0.60 4.97 5.12 -1.26 -0.62 116.66 129.58 2ptf n ARG 110 Ca -0.05 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.91 2ptf n ARG 110 Cb 0.50 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 32.05 2ptf n ARG 110 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2ptf n ASP 111 N 3.59 3.66 -4.81 0.55 3.85 -1.26 -4.94 116.55 117.19 2ptf n ASP 111 Ca 0.00 -3.23 -0.32 0.00 -0.71 0.00 0.00 54.79 50.53 2ptf n ASP 111 Cb 0.00 -0.59 -0.06 0.00 -1.35 0.00 0.00 41.12 39.12 2ptf n ASP 111 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 2ptf s PHE 112 N -2.96 3.31 0.06 2.11 0.08 0.21 -5.11 117.98 115.68 2ptf s PHE 112 Ca 0.44 0.18 -0.00 0.00 0.12 0.00 0.00 56.93 57.67 2ptf s PHE 112 Cb 0.37 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 2ptf s PHE 112 CO 0.07 0.55 0.21 -0.51 -0.10 0.00 0.00 175.22 175.45 2ptf s LEU 113 N -2.09 4.36 0.30 -0.37 1.43 -1.26 -0.39 118.68 120.66 2ptf s LEU 113 Ca 0.27 0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 2ptf s LEU 113 Cb -0.12 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 2ptf s LEU 113 CO 0.19 0.17 0.22 -1.38 0.23 0.00 0.00 176.35 175.77 2ptf s HIS 114 N -1.51 1.61 -0.18 0.29 -3.43 0.13 -4.20 115.29 107.99 2ptf s HIS 114 Ca 0.35 -1.53 -0.28 0.00 -0.80 0.00 0.00 55.06 52.80 2ptf s HIS 114 Cb -0.13 -0.74 -0.00 0.00 -1.43 0.00 0.00 32.58 30.28 2ptf s HIS 114 CO 0.28 -0.72 0.97 -1.17 -2.00 0.00 0.00 174.74 172.09 2ptf s LEU 115 N -3.34 4.16 0.12 5.38 2.96 -1.26 -0.52 118.68 126.17 2ptf s LEU 115 Ca 0.38 1.35 -0.31 0.00 -0.22 0.00 0.00 54.13 55.33 2ptf s LEU 115 Cb 0.04 -3.45 -0.11 0.00 0.50 0.00 0.00 46.19 43.18 2ptf s LEU 115 CO 0.22 -0.53 1.85 -1.14 -1.32 0.00 0.00 176.35 175.43 2ptf n ARG 116 N 5.67 2.83 -0.97 1.98 0.63 0.17 -2.40 116.66 124.57 2ptf n ARG 116 Ca 0.09 1.03 0.00 0.00 -0.92 0.00 0.00 57.85 58.05 2ptf n ARG 116 Cb 0.48 -2.93 0.00 0.00 0.45 0.00 0.00 32.46 30.45 2ptf n ARG 116 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ptf n GLY 117 N 4.27 0.49 3.76 5.14 0.00 -1.26 -4.96 105.19 112.62 2ptf n GLY 117 Ca 0.18 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2ptf n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ptf s ALA 118 N -2.00 3.65 0.55 4.61 0.00 -1.01 -4.90 121.76 122.65 2ptf s ALA 118 Ca 0.00 1.49 0.23 0.00 0.00 0.00 0.00 51.96 53.68 2ptf s ALA 118 Cb 0.00 -3.60 1.45 0.00 0.00 0.00 0.00 23.12 20.97 2ptf s ALA 118 CO 0.00 -0.92 2.11 -0.44 0.00 0.00 0.00 175.76 176.51 2ptf h ASP 119 N 4.20 0.00 -3.53 0.00 3.32 -1.52 -3.43 116.42 115.46 2ptf h ASP 119 Ca -0.48 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.65 2ptf h ASP 119 Cb 1.23 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.52 2ptf h ASP 119 CO 0.73 0.00 0.54 0.00 -1.72 0.00 0.00 179.24 178.79 2ptf s ALA 120 N -4.91 -1.98 0.05 3.45 0.00 -1.23 -0.53 121.76 116.62 2ptf s ALA 120 Ca -0.05 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 2ptf s ALA 120 Cb 0.17 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 2ptf s ALA 120 CO 0.64 -0.26 0.03 -0.59 0.00 0.00 0.00 175.76 175.59 2ptf s PHE 121 N -0.42 0.38 0.00 0.00 -0.12 0.47 0.33 117.98 118.62 2ptf s PHE 121 Ca 0.01 -0.83 0.03 0.00 -0.05 0.00 0.00 56.93 56.09 2ptf s PHE 121 Cb -0.03 -0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.08 2ptf s PHE 121 CO -0.03 -0.38 -0.08 -0.59 -0.05 0.00 0.00 175.22 174.08 2ptf s PHE 122 N -3.42 0.72 0.48 3.49 -0.12 -0.56 0.76 117.98 119.33 2ptf s PHE 122 Ca 0.02 -0.19 -0.21 0.00 -0.05 0.00 0.00 56.93 56.50 2ptf s PHE 122 Cb 0.04 -0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 41.90 2ptf s PHE 122 CO -0.08 -0.02 1.11 0.95 -0.05 0.00 0.00 175.22 177.13 2ptf s THR 123 N -0.38 3.34 -0.02 -4.49 -4.23 -0.91 -1.27 115.64 107.68 2ptf s THR 123 Ca 0.01 0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 61.42 2ptf s THR 123 Cb -0.04 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.38 2ptf s THR 123 CO -0.00 -0.10 0.05 0.00 -0.54 0.00 0.00 174.62 174.03 2ptf s ALA 124 N -1.72 -0.12 -0.06 3.99 0.00 0.40 -1.03 121.76 123.22 2ptf s ALA 124 Ca 0.66 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.76 2ptf s ALA 124 Cb -0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2ptf s ALA 124 CO 0.28 -0.04 -0.21 -1.21 0.00 0.00 0.00 175.76 174.58 2ptf s GLU 125 N -0.12 2.30 0.10 0.00 2.02 -0.43 -2.15 118.70 120.42 2ptf s GLU 125 Ca -0.02 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 53.90 2ptf s GLU 125 Cb -0.01 -1.92 -0.07 0.00 0.10 0.00 0.00 34.13 32.23 2ptf s GLU 125 CO 0.00 0.28 1.31 0.08 0.02 0.00 0.00 175.26 176.95 2ptf s VAL 126 N 0.03 3.59 -0.06 2.63 1.01 -0.37 -0.61 120.40 126.62 2ptf s VAL 126 Ca -0.07 1.14 0.09 0.00 0.00 0.00 0.00 61.98 63.15 2ptf s VAL 126 Cb -0.14 -3.73 -0.14 0.00 0.00 0.00 0.00 36.38 32.38 2ptf s VAL 126 CO 0.04 0.09 0.11 1.33 0.00 0.00 0.00 175.10 176.67 2ptf n VAL 127 N 3.89 0.39 -3.59 2.92 0.24 -0.45 -4.92 118.33 116.81 2ptf n VAL 127 Ca 0.10 -0.34 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 2ptf n VAL 127 Cb 0.44 -0.34 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 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 -3.77 -0.47 0.02 -1.34 1.04 -1.14 -5.01 113.70 103.02 2ptf s SER 128 Ca -0.04 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2ptf s SER 128 Cb 0.04 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 2ptf s SER 128 CO 0.41 -0.62 -0.05 -0.69 0.98 0.00 0.00 173.24 173.26 2ptf s VAL 129 N -1.71 0.37 -0.08 5.02 1.01 -1.26 -1.12 120.40 122.62 2ptf s VAL 129 Ca -0.09 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 2ptf s VAL 129 Cb -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.98 2ptf s VAL 129 CO 0.04 -0.23 0.22 -0.75 0.00 0.00 0.00 175.10 174.38 2ptf s LYS 130 N -1.00 0.23 0.55 2.72 2.20 -0.26 -4.95 119.74 119.23 2ptf s LYS 130 Ca -0.07 0.35 -0.16 0.00 -0.36 0.00 0.00 55.97 55.72 2ptf s LYS 130 Cb -0.07 0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 36.25 2ptf s LYS 130 CO -0.00 -0.06 1.02 0.15 -0.36 0.00 0.00 175.35 176.10 2ptf s LYS 131 N 0.39 3.63 -0.23 4.03 1.02 -1.26 -0.35 119.74 126.97 2ptf s LYS 131 Ca -0.02 1.09 -0.11 0.00 0.02 0.00 0.00 55.97 56.94 2ptf s LYS 131 Cb -0.04 -2.08 0.08 0.00 -0.52 0.00 0.00 37.83 35.27 2ptf s LYS 131 CO -0.02 -0.54 0.54 -1.17 -0.92 0.00 0.00 175.35 173.25 2ptf s LEU 132 N -4.27 -0.66 -0.09 3.17 0.20 0.71 -4.82 118.68 112.92 2ptf s LEU 132 Ca 0.61 1.23 -0.30 0.00 0.69 0.00 0.00 54.13 56.37 2ptf s LEU 132 Cb -0.13 1.85 -0.04 0.00 -0.43 0.00 0.00 46.19 47.44 2ptf s LEU 132 CO 0.34 -0.22 1.44 -0.69 -0.29 0.00 0.00 176.35 176.93 2ptf s VAL 133 N 1.98 3.90 -0.11 1.68 1.01 -1.26 -0.20 120.40 127.40 2ptf s VAL 133 Ca -0.08 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.00 2ptf s VAL 133 Cb -0.09 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2ptf s VAL 133 CO -0.16 -0.08 0.02 -0.75 0.00 0.00 0.00 175.10 174.12 2ptf s LYS 134 N 3.47 3.28 -0.07 2.72 2.20 0.29 -4.97 119.74 126.66 2ptf s LYS 134 Ca 0.64 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.88 2ptf s LYS 134 Cb -0.28 -2.91 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 2ptf s LYS 134 CO 0.23 0.57 -0.12 1.03 -0.36 0.00 0.00 175.35 176.70 2ptf s ARG 135 N -0.51 1.69 0.00 4.03 0.52 -1.26 -0.52 118.95 122.90 2ptf s ARG 135 Ca 0.09 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 2ptf s ARG 135 Cb -0.12 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 33.92 2ptf s ARG 135 CO 0.02 -0.00 0.00 -0.40 0.02 0.00 0.00 175.30 174.94 2ptf n ASP 136 N 3.93 0.00 -2.69 0.23 5.75 -1.26 -4.94 116.55 117.57 2ptf n ASP 136 Ca -0.22 -0.65 -0.04 0.00 -0.01 0.00 0.00 54.79 53.87 2ptf n ASP 136 Cb 0.52 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.66 2ptf n ASP 136 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2ptf n ARG 137 N 0.00 0.23 -3.22 0.11 1.85 -1.26 -5.12 116.66 109.25 2ptf n ARG 137 Ca 0.00 -0.98 -0.43 0.00 -1.00 0.00 0.00 57.85 55.44 2ptf n ARG 137 Cb 0.00 -0.36 -0.08 0.00 -1.05 0.00 0.00 32.46 30.97 2ptf n ARG 137 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2ptf s GLU 140 N 0.57 3.17 0.04 2.89 -6.30 -1.23 -5.23 118.70 112.60 2ptf s GLU 140 Ca 0.26 -0.63 0.01 0.00 -2.50 0.00 0.00 54.97 52.12 2ptf s GLU 140 Cb 0.16 -3.97 -0.03 0.00 0.00 0.00 0.00 34.13 30.29 2ptf s GLU 140 CO -0.11 -0.95 -0.06 -1.54 0.02 0.00 0.00 175.26 172.63 2ptf s SER 141 N 1.96 0.66 -0.22 -1.70 1.04 0.33 -4.99 113.70 110.78 2ptf s SER 141 Ca 0.16 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 55.87 2ptf s SER 141 Cb -0.16 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 2ptf s SER 141 CO 0.16 -0.30 0.14 -0.70 0.98 0.00 0.00 173.24 173.51 2ptf s GLU 142 N -2.01 4.14 0.26 4.02 2.12 -1.26 0.10 118.70 126.07 2ptf s GLU 142 Ca -0.08 -0.24 0.10 0.00 0.36 0.00 0.00 54.97 55.11 2ptf s GLU 142 Cb -0.07 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2ptf s GLU 142 CO -0.02 0.20 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.30 2ptf s LEU 143 N 0.64 2.91 -0.23 2.70 1.43 0.73 -3.72 118.68 123.13 2ptf s LEU 143 Ca 0.08 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 2ptf s LEU 143 Cb -0.12 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 2ptf s LEU 143 CO 0.01 0.03 0.13 -1.00 0.23 0.00 0.00 176.35 175.75 2ptf s HIS 144 N -2.29 3.28 -0.35 0.29 3.76 -0.38 -0.21 115.29 119.39 2ptf s HIS 144 Ca 0.30 0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 55.15 2ptf s HIS 144 Cb -0.06 -2.23 -0.00 0.00 1.11 0.00 0.00 32.58 31.40 2ptf s HIS 144 CO 0.17 0.05 0.55 0.08 -0.85 0.00 0.00 174.74 174.74 2ptf s VAL 145 N 0.95 4.98 -0.25 -0.90 1.01 0.53 -1.05 120.40 125.67 2ptf s VAL 145 Ca 0.06 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 2ptf s VAL 145 Cb -0.13 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2ptf s VAL 145 CO 0.03 -0.23 -0.06 -0.69 0.00 0.00 0.00 175.10 174.15 2ptf s VAL 146 N 2.48 2.89 -0.11 2.92 1.01 -0.15 -1.10 120.40 128.33 2ptf s VAL 146 Ca 0.20 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 2ptf s VAL 146 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2ptf s VAL 146 CO 0.14 0.20 0.12 -0.54 0.00 0.00 0.00 175.10 175.01 2ptf s LYS 147 N 1.33 3.36 0.05 2.72 1.02 -0.28 -0.90 119.74 127.04 2ptf s LYS 147 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.81 2ptf s LYS 147 Cb -0.17 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2ptf s LYS 147 CO -0.04 0.76 -0.04 0.00 -0.92 0.00 0.00 175.35 175.11 2ptf s ALA 148 N -1.01 0.54 -0.12 5.17 0.00 0.41 -1.34 121.76 125.40 2ptf s ALA 148 Ca 0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 2ptf s ALA 148 Cb -0.12 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2ptf s ALA 148 CO 0.04 -0.27 0.00 0.50 0.00 0.00 0.00 175.76 176.03 2ptf s ARG 149 N -3.21 3.38 0.20 0.00 3.52 0.22 -1.89 118.95 121.17 2ptf s ARG 149 Ca 0.02 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 2ptf s ARG 149 Cb 0.02 -2.91 -0.08 0.00 -1.56 0.00 0.00 34.95 30.42 2ptf s ARG 149 CO -0.06 0.49 1.03 0.00 -0.81 0.00 0.00 175.30 175.95 2ptf s ALA 150 N -0.28 3.35 0.00 6.12 0.00 0.16 -1.31 121.76 129.80 2ptf s ALA 150 Ca 0.06 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2ptf s ALA 150 Cb -0.12 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2ptf s ALA 150 CO 0.02 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2ptf n GLY 151 N 1.79 -0.10 3.81 0.00 0.00 -0.20 -4.94 105.19 105.55 2ptf n GLY 151 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.86 6.72 -0.26 1.61 1.01 -1.26 -4.86 116.67 118.77 2ptf s ASP 152 Ca 0.00 0.86 -0.04 0.00 0.71 0.00 0.00 52.55 54.08 2ptf s ASP 152 Cb 0.00 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 41.71 2ptf s ASP 152 CO 0.00 0.27 0.00 -0.69 0.21 0.00 0.00 175.17 174.96 2ptf s VAL 153 N -0.70 3.42 -0.18 -1.27 1.01 -1.22 -2.15 120.40 119.32 2ptf s VAL 153 Ca 0.23 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2ptf s VAL 153 Cb -0.16 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2ptf s VAL 153 CO 0.11 0.18 -0.07 -0.04 0.00 0.00 0.00 175.10 175.28 2ptf s MET 154 N 1.42 3.44 -0.14 2.72 -1.94 0.23 -0.59 119.30 124.44 2ptf s MET 154 Ca 0.02 -0.63 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 2ptf s MET 154 Cb -0.17 -2.86 0.01 0.00 2.01 0.00 0.00 34.83 33.83 2ptf s MET 154 CO -0.01 0.03 -0.19 0.50 -0.01 0.00 0.00 175.02 175.34 2ptf s ARG 155 N 0.88 2.68 0.70 2.03 3.52 -0.58 -0.39 118.95 127.79 2ptf s ARG 155 Ca -0.02 -0.73 -0.07 0.00 -0.13 0.00 0.00 55.73 54.79 2ptf s ARG 155 Cb -0.15 -2.25 0.05 0.00 -1.56 0.00 0.00 34.95 31.05 2ptf s ARG 155 CO 0.01 -0.08 1.01 0.00 -0.81 0.00 0.00 175.30 175.43 2ptf s ALA 156 N 1.02 3.13 -0.02 6.12 0.00 0.31 -0.27 121.76 132.05 2ptf s ALA 156 Ca -0.04 -0.85 0.32 0.00 0.00 0.00 0.00 51.96 51.39 2ptf s ALA 156 Cb -0.15 -2.64 1.28 0.00 0.00 0.00 0.00 23.12 21.61 2ptf s ALA 156 CO -0.04 -1.25 1.93 0.93 0.00 0.00 0.00 175.76 177.32 2ptf h GLU 157 N -0.57 0.00 -0.00 0.00 4.39 -1.84 -2.80 114.58 113.75 2ptf h GLU 157 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2ptf h GLU 157 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2ptf h GLU 157 CO 0.61 0.00 -0.04 -1.13 -1.16 0.00 0.00 179.01 177.28 2ptf n SER 158 N -2.92 0.10 -4.76 1.42 3.41 -1.26 -4.88 113.62 104.74 2ptf n SER 158 Ca 0.01 -0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 2ptf n SER 158 Cb 0.29 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.70 3.10 0.00 7.33 5.36 -1.06 -4.89 117.98 125.12 2ptf s PHE 159 Ca 0.24 1.28 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 2ptf s PHE 159 Cb 0.20 -3.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.19 2ptf s PHE 159 CO 0.50 -2.04 0.00 0.54 -1.46 0.00 0.00 175.22 172.76 2ptf n ARG 160 N 1.64 0.00 -3.51 10.12 5.12 -1.26 -5.04 116.66 123.73 2ptf n ARG 160 Ca 0.03 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.82 2ptf n ARG 160 Cb 0.42 -0.36 -0.04 0.00 -1.16 0.00 0.00 32.46 31.31 2ptf n ARG 160 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2ptf s MET 161 N -1.97 1.14 0.09 5.56 -1.94 -1.26 -5.07 119.30 115.85 2ptf s MET 161 Ca 0.00 -0.28 -0.19 0.00 -1.71 0.00 0.00 55.69 53.50 2ptf s MET 161 Cb 0.00 0.52 -0.07 0.00 2.01 0.00 0.00 34.83 37.29 2ptf s MET 161 CO 0.00 -0.44 0.59 0.00 -0.01 0.00 0.00 175.02 175.16 2ptf s ALA 162 N -2.85 3.57 -0.03 3.03 0.00 -1.26 -4.88 121.76 119.34 2ptf s ALA 162 Ca -0.03 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 2ptf s ALA 162 Cb -0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2ptf s ALA 162 CO -0.05 0.39 1.46 -1.17 0.00 0.00 0.00 175.76 176.39 2ptf s LEU 163 N -1.22 4.30 -0.03 0.00 2.96 -1.26 -4.94 118.68 118.50 2ptf s LEU 163 Ca 0.31 2.11 0.03 0.00 -0.22 0.00 0.00 54.13 56.35 2ptf s LEU 163 Cb -0.19 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.95 2ptf s LEU 163 CO 0.20 -0.78 -0.10 0.21 -1.32 0.00 0.00 176.35 174.55 2ptf s ASN 164 N 2.27 1.38 0.00 3.68 3.84 -1.26 -0.56 114.94 124.29 2ptf s ASN 164 Ca 0.65 -0.22 0.24 0.00 0.21 0.00 0.00 52.86 53.75 2ptf s ASN 164 Cb -0.31 -0.37 1.20 0.00 -0.55 0.00 0.00 41.25 41.22 2ptf s ASN 164 CO 0.26 0.08 1.80 0.54 -2.79 0.00 0.00 177.10 176.99 2ptf n ARG 165 N 3.26 1.32 0.10 0.43 1.74 -1.26 -4.43 116.66 117.82 2ptf n ARG 165 Ca -0.18 -0.48 -0.13 0.00 -0.77 0.00 0.00 57.85 56.29 2ptf n ARG 165 Cb 0.54 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.46 30.49 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 5.10 -0.24 1.52 -0.13 0.00 -1.90 -2.04 103.07 105.38 2ptf h GLY 166 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2ptf h GLY 166 CO 0.00 -0.09 0.20 1.19 0.00 0.00 0.00 176.54 177.84 2ptf h ILE 167 N -0.40 1.16 -0.52 2.60 6.09 -2.00 -2.57 117.51 121.88 2ptf h ILE 167 Ca -0.02 -0.48 -0.12 0.00 -1.37 0.00 0.00 64.86 62.88 2ptf h ILE 167 Cb 0.31 0.61 -0.02 0.00 0.47 0.00 0.00 36.82 38.19 2ptf h ILE 167 CO 0.04 0.19 -0.13 1.88 -3.07 0.00 0.00 178.15 177.06 2ptf h TYR 168 N 0.63 1.11 -0.49 2.19 0.05 -1.76 -0.38 116.97 118.33 2ptf h TYR 168 Ca 0.16 -0.24 -0.11 0.00 0.05 0.00 0.00 58.73 58.59 2ptf h TYR 168 Cb 0.10 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 2ptf h TYR 168 CO 0.01 1.05 -0.12 0.00 -1.05 0.00 0.00 178.16 178.04 2ptf h ALA 169 N 0.96 0.67 0.02 3.88 0.00 -0.99 0.14 119.26 123.94 2ptf h ALA 169 Ca 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ptf h ALA 169 Cb 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ptf h ALA 169 CO 0.05 0.58 -0.01 0.28 0.00 0.00 0.00 179.25 180.15 2ptf h VAL 170 N 0.80 1.07 -0.44 0.00 2.07 -1.35 -2.07 116.25 116.33 2ptf h VAL 170 Ca 0.12 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.44 2ptf h VAL 170 Cb 0.68 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 2ptf h VAL 170 CO 0.05 0.07 0.01 0.40 0.02 0.00 0.00 177.57 178.12 2ptf h ILE 171 N -0.15 0.67 -0.79 4.57 1.08 -0.86 0.16 117.51 122.19 2ptf h ILE 171 Ca -0.00 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 2ptf h ILE 171 Cb 0.14 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 2ptf h ILE 171 CO 0.00 0.02 0.38 -0.33 -0.69 0.00 0.00 178.15 177.54 2ptf h GLU 172 N 0.12 1.14 -0.66 2.37 4.39 -0.69 -1.08 114.58 120.17 2ptf h GLU 172 Ca 0.22 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 2ptf h GLU 172 Cb 0.32 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2ptf h GLU 172 CO -0.36 0.87 0.14 0.77 -1.16 0.00 0.00 179.01 179.28 2ptf h SER 173 N 1.13 1.01 -0.40 1.42 0.02 -0.78 -1.16 113.55 114.80 2ptf h SER 173 Ca 0.27 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2ptf h SER 173 Cb 0.11 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2ptf h SER 173 CO -0.04 1.00 0.18 -0.07 -1.14 0.00 0.00 176.83 176.76 2ptf h LEU 174 N 0.99 0.53 -0.33 5.07 3.38 -0.18 0.23 115.31 124.99 2ptf h LEU 174 Ca 0.20 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2ptf h LEU 174 Cb 0.39 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2ptf h LEU 174 CO 0.01 0.52 0.20 0.40 0.09 0.00 0.00 178.44 179.65 2ptf h ILE 175 N 0.50 1.04 -0.90 1.22 2.04 -1.12 0.06 117.51 120.35 2ptf h ILE 175 Ca 0.14 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2ptf h ILE 175 Cb 0.14 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2ptf h ILE 175 CO -0.02 0.07 0.60 0.00 0.00 0.00 0.00 178.15 178.81 2ptf h ALA 176 N 1.14 1.15 -0.12 1.87 0.00 -1.03 -2.83 119.26 119.44 2ptf h ALA 176 Ca 0.13 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2ptf h ALA 176 Cb -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 2ptf h ALA 176 CO -0.06 0.54 -0.13 -0.92 0.00 0.00 0.00 179.25 178.69 2ptf h TYR 177 N 1.22 -0.32 0.00 0.00 3.20 0.46 -2.14 116.97 119.39 2ptf h TYR 177 Ca 0.33 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.22 2ptf h TYR 177 Cb -0.13 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2ptf h TYR 177 CO -0.01 -0.19 0.19 1.79 -1.64 0.00 0.00 178.16 178.30 2ptf h THR 178 N -0.16 0.00 -0.13 1.81 1.35 -0.78 -0.92 112.91 114.09 2ptf h THR 178 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2ptf h THR 178 Cb 0.28 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2ptf h THR 178 CO -0.22 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 172.94 2ptf n ARG 179 N -2.92 2.11 -2.61 4.72 1.85 -0.85 -5.11 116.66 113.85 2ptf n ARG 179 Ca -0.02 -2.66 -0.40 0.00 -1.00 0.00 0.00 57.85 53.76 2ptf n ARG 179 Cb 0.24 -1.64 -0.05 0.00 -1.05 0.00 0.00 32.46 29.96 2ptf n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ptf s ALA 180 N -2.77 3.37 0.19 2.89 0.00 -0.36 -5.07 121.76 120.02 2ptf s ALA 180 Ca 0.36 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2ptf s ALA 180 Cb 0.30 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2ptf s ALA 180 CO 0.06 0.01 0.00 -0.35 0.00 0.00 0.00 175.76 175.48 2ptf n PRO 185 N 1.47 0.00 0.10 0.00 -0.04 -1.26 -5.13 135.00 130.14 2ptf n PRO 185 Ca -0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.25 2ptf n PRO 185 Cb 0.46 -0.08 -0.12 0.00 -0.04 0.00 0.00 33.50 33.72 2ptf n PRO 185 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ptf h LEU 186 N 0.00 0.74 -1.04 1.53 5.85 -2.05 -3.16 115.31 117.18 2ptf h LEU 186 Ca 0.00 -0.71 -0.03 0.00 0.84 0.00 0.00 57.88 57.99 2ptf h LEU 186 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2ptf h LEU 186 CO 0.00 1.53 0.33 1.62 -0.34 0.00 0.00 178.44 181.58 2ptf h VAL 187 N 0.21 1.23 -0.12 1.05 3.04 -2.05 -1.95 116.25 117.66 2ptf h VAL 187 Ca -0.17 -0.65 -0.02 0.00 -1.01 0.00 0.00 66.70 64.84 2ptf h VAL 187 Cb 1.92 0.33 -0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2ptf h VAL 187 CO 0.23 0.27 0.00 0.25 -1.01 0.00 0.00 177.57 177.32 2ptf h LEU 188 N 1.01 0.20 -0.65 3.16 5.85 -2.00 0.13 115.31 123.01 2ptf h LEU 188 Ca 0.25 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2ptf h LEU 188 Cb 0.12 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2ptf h LEU 188 CO -0.03 0.45 0.39 -0.09 -0.34 0.00 0.00 178.44 178.82 2ptf h ARG 189 N -0.06 0.73 -0.51 1.25 2.43 -1.56 -1.08 114.38 115.58 2ptf h ARG 189 Ca 0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ptf h ARG 189 Cb 0.35 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2ptf h ARG 189 CO 0.01 0.48 0.32 1.49 -1.51 0.00 0.00 179.97 180.75 2ptf h GLU 190 N 0.75 0.69 -0.18 0.20 4.57 -1.10 0.02 114.58 119.53 2ptf h GLU 190 Ca 0.27 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 2ptf h GLU 190 Cb 0.08 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2ptf h GLU 190 CO -0.13 0.49 0.08 -0.09 -1.18 0.00 0.00 179.01 178.18 2ptf h ARG 191 N 0.69 0.27 -0.49 1.92 9.65 -0.48 -1.02 114.38 124.92 2ptf h ARG 191 Ca 0.18 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 2ptf h ARG 191 Cb -0.03 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 2ptf h ARG 191 CO -0.04 0.31 0.28 0.82 2.80 0.00 0.00 179.97 184.15 2ptf h ILE 192 N 0.16 1.15 -0.28 1.20 1.08 -1.05 -0.30 117.51 119.46 2ptf h ILE 192 Ca 0.06 -0.34 -0.14 0.00 -0.39 0.00 0.00 64.86 64.05 2ptf h ILE 192 Cb 0.14 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 2ptf h ILE 192 CO -0.01 0.16 -0.39 0.00 -0.69 0.00 0.00 178.15 177.22 2ptf h ALA 193 N 1.64 0.43 -0.54 1.87 0.00 -0.58 -0.97 119.26 121.10 2ptf h ALA 193 Ca 0.18 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2ptf h ALA 193 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2ptf h ALA 193 CO -0.03 0.52 0.04 0.93 0.00 0.00 0.00 179.25 180.71 2ptf h GLU 194 N 0.51 0.93 -0.39 0.00 5.08 -0.48 -1.92 114.58 118.31 2ptf h GLU 194 Ca 0.03 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 57.98 2ptf h GLU 194 Cb 0.98 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2ptf h GLU 194 CO 0.09 0.93 -0.30 0.52 -1.00 0.00 0.00 179.01 179.24 2ptf h MET 195 N 0.81 0.85 -0.52 2.33 2.86 -1.05 -2.06 114.93 118.16 2ptf h MET 195 Ca 0.16 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 2ptf h MET 195 Cb 0.48 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2ptf h MET 195 CO 0.02 1.04 0.29 -0.97 1.06 0.00 0.00 176.91 178.35 2ptf h ASN 196 N 0.72 0.64 -0.25 1.22 -0.00 -1.03 -0.36 115.58 116.53 2ptf h ASN 196 Ca 0.08 -0.09 0.05 0.00 -0.00 0.00 0.00 56.30 56.34 2ptf h ASN 196 Cb 0.86 -0.16 -0.05 0.00 -0.00 0.00 0.00 38.32 38.97 2ptf h ASN 196 CO 0.08 0.54 -0.07 0.03 -0.00 0.00 0.00 177.43 178.01 2ptf h ARG 197 N 0.69 -0.01 0.13 6.67 3.08 -1.13 -0.27 114.38 123.55 2ptf h ARG 197 Ca 0.18 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.24 2ptf h ARG 197 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2ptf h ARG 197 CO -0.03 -0.01 -0.15 0.28 -1.07 0.00 0.00 179.97 178.99 2ptf h VAL 198 N -0.01 0.65 -0.64 2.04 2.07 -1.12 0.22 116.25 119.46 2ptf h VAL 198 Ca 0.12 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 2ptf h VAL 198 Cb 0.20 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 2ptf h VAL 198 CO -0.26 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.51 2ptf h ALA 199 N 0.51 0.80 -0.36 1.67 0.00 -0.82 0.31 119.26 121.37 2ptf h ALA 199 Ca 0.01 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2ptf h ALA 199 Cb 0.32 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2ptf h ALA 199 CO -0.06 -0.26 -0.34 0.00 0.00 0.00 0.00 179.25 178.60 2ptf h ARG 200 N 0.33 0.80 -0.25 0.00 3.08 -0.73 0.28 114.38 117.90 2ptf h ARG 200 Ca 0.33 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2ptf h ARG 200 Cb 0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2ptf h ARG 200 CO -0.38 1.02 0.13 -0.22 -1.07 0.00 0.00 179.97 179.45 2ptf h LYS 201 N 0.67 0.35 0.00 0.04 3.64 0.02 -3.37 116.57 117.92 2ptf h LYS 201 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ptf h LYS 201 Cb 0.88 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2ptf h LYS 201 CO 0.08 0.33 -0.49 1.33 -2.27 0.00 0.00 179.45 178.43 2ptf n VAL 202 N -4.84 0.00 -3.12 2.00 0.24 0.04 -4.65 118.33 108.00 2ptf n VAL 202 Ca -0.03 -0.31 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 2ptf n VAL 202 Cb 0.08 0.88 0.02 0.00 -1.47 0.00 0.00 33.84 33.36 2ptf n VAL 202 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ptf n GLY 203 N 1.33 2.10 0.00 7.63 0.00 0.08 -2.96 105.19 113.37 2ptf n GLY 203 Ca 0.01 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2ptf n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ptf n GLY 204 N 2.25 3.22 0.24 -0.02 0.00 -1.26 -4.76 105.19 104.86 2ptf n GLY 204 Ca 0.05 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 0.36 -0.69 1.61 0.11 -1.99 -1.95 132.00 129.45 2ptf h PRO 205 Ca 0.00 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 2ptf h PRO 205 Cb 0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 2ptf h PRO 205 CO 0.00 0.51 0.17 0.00 -0.21 0.00 0.00 178.00 178.47 2ptf h ARG 206 N 0.34 1.10 -0.38 1.05 3.08 -1.98 0.42 114.38 118.01 2ptf h ARG 206 Ca 0.06 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 2ptf h ARG 206 Cb 0.46 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2ptf h ARG 206 CO 0.03 0.98 -0.01 0.93 -1.07 0.00 0.00 179.97 180.82 2ptf h GLU 207 N 1.04 0.69 -0.49 0.04 3.07 -1.90 -0.26 114.58 116.76 2ptf h GLU 207 Ca 0.22 -0.23 -0.12 0.00 -0.50 0.00 0.00 59.36 58.73 2ptf h GLU 207 Cb 0.36 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2ptf h GLU 207 CO 0.00 0.79 -0.16 0.87 -1.40 0.00 0.00 179.01 179.11 2ptf h LYS 208 N 0.51 0.95 -0.48 2.33 1.57 -1.24 -1.02 116.57 119.19 2ptf h LYS 208 Ca 0.11 -0.37 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2ptf h LYS 208 Cb 0.49 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2ptf h LYS 208 CO 0.02 1.04 -0.09 1.49 -0.57 0.00 0.00 179.45 181.33 2ptf h GLU 209 N 0.84 0.92 -0.62 3.15 4.57 -0.84 -0.74 114.58 121.85 2ptf h GLU 209 Ca 0.12 -0.34 0.09 0.00 -1.18 0.00 0.00 59.36 58.05 2ptf h GLU 209 Cb 0.72 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.18 2ptf h GLU 209 CO 0.06 0.99 0.25 0.00 -1.18 0.00 0.00 179.01 179.13 2ptf h ALA 210 N 0.89 0.81 -0.50 2.92 0.00 -0.80 -0.88 119.26 121.71 2ptf h ALA 210 Ca 0.12 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2ptf h ALA 210 Cb 0.64 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2ptf h ALA 210 CO 0.04 -0.17 -0.07 0.52 0.00 0.00 0.00 179.25 179.58 2ptf h MET 211 N 0.44 0.88 -0.11 0.00 2.86 -0.75 -1.66 114.93 116.59 2ptf h MET 211 Ca 0.31 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2ptf h MET 211 Cb 0.37 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2ptf h MET 211 CO -0.30 0.92 0.06 -0.09 1.06 0.00 0.00 176.91 178.56 2ptf h ARG 212 N 0.80 0.16 -0.96 1.72 2.43 -0.44 0.06 114.38 118.16 2ptf h ARG 212 Ca 0.14 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 2ptf h ARG 212 Cb 0.57 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 2ptf h ARG 212 CO 0.03 0.19 0.60 0.00 -1.51 0.00 0.00 179.97 179.29 2ptf h ARG 213 N 0.09 1.01 -0.08 0.20 3.08 -0.97 0.67 114.38 118.37 2ptf h ARG 213 Ca 0.04 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2ptf h ARG 213 Cb 0.08 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2ptf h ARG 213 CO -0.01 0.67 -0.09 0.82 -1.07 0.00 0.00 179.97 180.29 2ptf h ILE 214 N 1.04 1.37 -0.73 2.04 2.04 -0.84 -1.45 117.51 120.98 2ptf h ILE 214 Ca 0.44 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 65.05 2ptf h ILE 214 Cb 0.30 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 2ptf h ILE 214 CO -0.21 0.36 0.47 0.40 0.00 0.00 0.00 178.15 179.17 2ptf h ILE 215 N -0.22 1.15 -0.16 -0.67 2.04 -0.75 -0.57 117.51 118.33 2ptf h ILE 215 Ca 0.01 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.60 2ptf h ILE 215 Cb 0.62 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 2ptf h ILE 215 CO 0.02 0.17 -0.23 -0.61 0.00 0.00 0.00 178.15 177.51 2ptf h GLN 216 N 0.95 -0.26 -0.14 2.37 4.15 -0.78 -0.28 115.11 121.11 2ptf h GLN 216 Ca 0.28 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.70 2ptf h GLN 216 Cb -0.05 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2ptf h GLN 216 CO -0.08 -0.17 0.00 0.00 -1.93 0.00 0.00 178.83 176.64 2ptf h ALA 217 N 0.73 1.74 -0.21 3.38 0.00 -0.95 -2.25 119.26 121.70 2ptf h ALA 217 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2ptf h ALA 217 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ptf h ALA 217 CO -0.32 0.20 -0.20 -0.07 0.00 0.00 0.00 179.25 178.86 2ptf h LEU 218 N 0.20 0.54 -0.58 0.00 3.38 -0.33 -3.18 115.31 115.34 2ptf h LEU 218 Ca 0.05 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 57.66 2ptf h LEU 218 Cb 0.14 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 2ptf h LEU 218 CO 0.00 0.90 0.12 -0.33 0.09 0.00 0.00 178.44 179.22 2ptf h GLU 219 N 0.19 0.24 0.00 1.13 5.08 -0.80 -3.51 114.58 116.91 2ptf h GLU 219 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2ptf h GLU 219 Cb 0.74 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2ptf h GLU 219 CO 0.05 0.16 0.00 0.43 -1.00 0.00 0.00 179.01 178.65