#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fnt s ASP -7 N 0.00 4.53 -0.10 6.43 2.15 -1.26 -5.03 116.67 123.40 1fnt s ASP -7 Ca 0.00 -0.16 -0.20 0.00 0.43 0.00 0.00 52.55 52.61 1fnt s ASP -7 Cb 0.00 -1.58 -0.17 0.00 -0.30 0.00 0.00 42.92 40.87 1fnt s ASP -7 CO 0.00 0.21 0.67 -0.65 -0.17 0.00 0.00 175.17 175.23 1fnt h PRO -6 N 6.35 -0.06 -0.94 4.34 0.11 -2.02 -3.36 132.00 136.43 1fnt h PRO -6 Ca -0.34 0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.06 1fnt h PRO -6 Cb 1.19 0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 1fnt h PRO -6 CO 0.58 0.54 0.32 0.77 -0.21 0.00 0.00 178.00 180.00 1fnt h SER -5 N -0.93 0.09 0.00 -2.05 0.02 -1.94 0.32 113.55 109.07 1fnt h SER -5 Ca -0.01 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1fnt h SER -5 Cb 0.63 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1fnt h SER -5 CO 0.01 -0.21 0.00 -1.54 -1.14 0.00 0.00 176.83 173.95 1fnt n SER -4 N -5.22 0.00 -0.01 3.07 3.41 -1.26 -4.05 113.62 109.56 1fnt n SER -4 Ca 0.26 -1.39 -0.20 0.00 -0.26 0.00 0.00 58.87 57.29 1fnt n SER -4 Cb 0.83 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.64 1fnt n SER -4 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1fnt h ILE -3 N 0.00 1.33 0.10 -1.33 2.04 -0.50 -3.40 117.51 115.75 1fnt h ILE -3 Ca 0.00 -2.41 -0.33 0.00 1.00 0.00 0.00 64.86 63.12 1fnt h ILE -3 Cb 0.00 2.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1fnt h ILE -3 CO 0.00 0.64 -1.75 0.78 0.00 0.00 0.00 178.15 177.82 1fnt h ASN -2 N -0.55 0.33 -3.22 1.72 -0.26 -1.71 -1.26 115.58 110.62 1fnt h ASN -2 Ca -0.20 -0.60 0.00 0.00 -0.56 0.00 0.00 56.30 54.95 1fnt h ASN -2 Cb 1.51 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.67 1fnt h ASN -2 CO 0.04 1.52 0.00 0.61 -1.06 0.00 0.00 177.43 178.54 1fnt n GLY -1 N 1.77 -1.55 0.00 2.83 0.00 -1.26 -2.85 105.19 104.13 1fnt n GLY -1 Ca -0.22 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1fnt n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fnt n GLY 1 N 0.00 0.31 3.23 -0.02 0.00 -1.18 -4.36 105.19 103.16 1fnt n GLY 1 Ca 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 1fnt n GLY 1 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fnt s ILE 2 N -2.71 0.12 -0.15 -0.61 -4.36 -1.26 -2.13 121.20 110.10 1fnt s ILE 2 Ca 0.00 -1.42 -0.13 0.00 -0.26 0.00 0.00 60.65 58.85 1fnt s ILE 2 Cb 0.00 -1.61 0.04 0.00 1.25 0.00 0.00 42.46 42.15 1fnt s ILE 2 CO 0.00 -0.56 0.40 -0.69 0.24 0.00 0.00 174.94 174.33 1fnt s VAL 3 N -3.93 -0.00 -0.01 8.37 1.01 -0.88 -2.96 120.40 122.00 1fnt s VAL 3 Ca 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1fnt s VAL 3 Cb 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1fnt s VAL 3 CO -0.06 0.01 0.08 0.54 0.00 0.00 0.00 175.10 175.67 1fnt s VAL 4 N 0.43 0.05 0.02 2.92 0.11 0.48 -2.21 120.40 122.21 1fnt s VAL 4 Ca -0.02 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.61 1fnt s VAL 4 Cb -0.04 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1fnt s VAL 4 CO -0.02 -0.23 -0.04 0.00 -3.33 0.00 0.00 175.10 171.48 1fnt s ALA 5 N -0.75 0.22 0.03 1.54 0.00 -0.38 -0.31 121.76 122.11 1fnt s ALA 5 Ca -0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 1fnt s ALA 5 Cb -0.05 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1fnt s ALA 5 CO 0.00 -0.10 0.04 -1.64 0.00 0.00 0.00 175.76 174.07 1fnt s MET 6 N -1.24 0.50 -0.20 0.00 -1.94 -0.20 -0.85 119.30 115.36 1fnt s MET 6 Ca -0.12 -0.77 -0.06 0.00 -1.71 0.00 0.00 55.69 53.04 1fnt s MET 6 Cb -0.08 0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.92 1fnt s MET 6 CO -0.01 -0.11 0.02 0.95 -0.01 0.00 0.00 175.02 175.87 1fnt s THR 7 N -2.41 4.18 0.49 2.05 -4.23 -0.97 -0.92 115.64 113.82 1fnt s THR 7 Ca -0.07 -0.23 0.07 0.00 -1.18 0.00 0.00 61.69 60.28 1fnt s THR 7 Cb -0.03 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.93 1fnt s THR 7 CO -0.04 0.42 0.45 -0.83 -0.54 0.00 0.00 174.62 174.08 1fnt s GLY 8 N 0.97 2.17 -0.37 3.99 0.00 0.56 -4.40 107.32 110.25 1fnt s GLY 8 Ca 0.02 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.77 1fnt s GLY 8 CO 0.02 -1.79 1.95 1.25 0.00 0.00 0.00 173.10 174.53 1fnt s LYS 9 N -4.27 3.07 -0.74 2.90 2.20 -0.93 -2.58 119.74 119.40 1fnt s LYS 9 Ca 0.45 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.47 1fnt s LYS 9 Cb -0.03 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 1fnt s LYS 9 CO 0.27 -2.18 0.00 -0.25 -0.36 0.00 0.00 175.35 172.83 1fnt n ASP 10 N 11.47 -3.61 -3.25 1.43 9.92 -1.26 -4.74 116.55 126.52 1fnt n ASP 10 Ca 0.25 0.14 -0.02 0.00 -0.53 0.00 0.00 54.79 54.63 1fnt n ASP 10 Cb 0.48 -2.03 0.02 0.00 -0.64 0.00 0.00 41.12 38.95 1fnt n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fnt s VAL 12 N -2.08 0.00 -0.05 0.00 -7.23 -1.03 -0.32 120.40 109.69 1fnt s VAL 12 Ca 0.23 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.40 1fnt s VAL 12 Cb -0.02 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.47 1fnt s VAL 12 CO 0.05 0.00 0.44 0.00 -0.31 0.00 0.00 175.10 175.28 1fnt s ALA 13 N -3.69 -1.13 -0.20 1.32 0.00 -0.10 -1.63 121.76 116.33 1fnt s ALA 13 Ca 0.34 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1fnt s ALA 13 Cb 0.03 -0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.12 1fnt s ALA 13 CO 0.17 -0.28 0.49 -1.50 0.00 0.00 0.00 175.76 174.64 1fnt s ILE 14 N -1.01 -0.04 0.09 0.00 2.07 -1.13 -1.03 121.20 120.14 1fnt s ILE 14 Ca -0.10 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1fnt s ILE 14 Cb -0.03 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1fnt s ILE 14 CO 0.05 0.03 -0.04 0.00 -1.91 0.00 0.00 174.94 173.07 1fnt s ALA 15 N 1.51 0.84 0.17 1.50 0.00 0.58 -2.18 121.76 124.18 1fnt s ALA 15 Ca -0.09 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 1fnt s ALA 15 Cb -0.08 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1fnt s ALA 15 CO -0.15 -0.30 0.32 0.00 0.00 0.00 0.00 175.76 175.64 1fnt n ASP 17 N -0.23 0.00 0.00 0.00 5.75 -1.15 -1.86 116.55 119.06 1fnt n ASP 17 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1fnt n ASP 17 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1fnt n ASP 17 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1fnt n LEU 18 N 0.00 0.00 -4.72 -2.12 4.77 -0.07 -4.61 117.00 110.25 1fnt n LEU 18 Ca 0.00 -0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 1fnt n LEU 18 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1fnt n LEU 18 CO 0.00 0.00 0.91 -1.14 -1.33 0.00 0.00 177.39 175.83 1fnt n ARG 19 N -0.29 1.60 -3.67 3.23 0.63 -0.86 -3.06 116.66 114.23 1fnt n ARG 19 Ca 0.00 0.59 -0.09 0.00 -0.92 0.00 0.00 57.85 57.43 1fnt n ARG 19 Cb 0.00 -2.49 -0.09 0.00 0.45 0.00 0.00 32.46 30.32 1fnt n ARG 19 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1fnt s LEU 20 N -3.04 -0.44 -0.20 6.15 1.98 -0.73 -4.47 118.68 117.94 1fnt s LEU 20 Ca 0.71 1.06 -0.30 0.00 -2.89 0.00 0.00 54.13 52.71 1fnt s LEU 20 Cb -0.43 1.56 0.15 0.00 0.66 0.00 0.00 46.19 48.13 1fnt s LEU 20 CO 0.50 -0.21 1.11 -0.83 -1.89 0.00 0.00 176.35 175.02 1fnt s GLY 21 N 1.86 -0.16 -0.24 7.98 0.00 -1.13 0.03 107.32 115.65 1fnt s GLY 21 Ca -0.07 2.26 -0.29 0.00 0.00 0.00 0.00 44.72 46.61 1fnt s GLY 21 CO -0.14 1.04 1.30 -1.35 0.00 0.00 0.00 173.10 173.95 1fnt s SER 22 N -1.10 6.78 0.00 1.64 1.04 -1.11 -4.10 113.70 116.85 1fnt s SER 22 Ca 0.02 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1fnt s SER 22 Cb -0.01 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1fnt s SER 22 CO -0.01 -0.95 0.00 0.00 0.98 0.00 0.00 173.24 173.26 1fnt n GLN 23 N 7.02 0.00 -0.18 4.02 0.00 -0.48 -2.22 117.38 125.55 1fnt n GLN 23 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 57.13 1fnt n GLN 23 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.77 1fnt n GLN 23 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1fnt h SER 24 N 0.00 -0.26 -2.77 2.61 4.64 -1.90 -3.41 113.55 112.45 1fnt h SER 24 Ca 0.00 0.14 -0.57 0.00 -0.47 0.00 0.00 61.79 60.89 1fnt h SER 24 Cb 0.00 0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 1fnt h SER 24 CO 0.00 -0.10 1.16 -0.22 -0.87 0.00 0.00 176.83 176.81 1fnt s LEU 25 N -10.63 3.77 0.03 5.97 2.96 -0.94 -4.99 118.68 114.85 1fnt s LEU 25 Ca -0.14 1.50 -0.30 0.00 -0.22 0.00 0.00 54.13 54.97 1fnt s LEU 25 Cb 0.17 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1fnt s LEU 25 CO 0.73 -1.39 1.11 -0.83 -1.32 0.00 0.00 176.35 174.65 1fnt s GLY 26 N 4.70 2.61 -0.15 7.98 0.00 -1.26 -2.74 107.32 118.47 1fnt s GLY 26 Ca 0.73 0.71 -0.10 0.00 0.00 0.00 0.00 44.72 46.06 1fnt s GLY 26 CO 0.31 1.90 -0.24 -0.62 0.00 0.00 0.00 173.10 174.45 1fnt n VAL 27 N 3.94 1.17 -4.31 1.40 0.31 0.12 -4.96 118.33 116.00 1fnt n VAL 27 Ca 0.08 -0.06 -0.21 0.00 -0.01 0.00 0.00 64.34 64.13 1fnt n VAL 27 Cb 0.48 -1.89 -0.11 0.00 -0.91 0.00 0.00 33.84 31.41 1fnt n VAL 27 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1fnt s SER 28 N -6.38 2.55 -0.30 4.52 0.15 0.10 -4.99 113.70 109.36 1fnt s SER 28 Ca -0.23 -0.84 0.19 0.00 0.70 0.00 0.00 55.95 55.77 1fnt s SER 28 Cb 0.07 -0.14 0.48 0.00 -1.71 0.00 0.00 66.02 64.72 1fnt s SER 28 CO 0.31 -0.05 1.03 -0.46 1.20 0.00 0.00 173.24 175.27 1fnt n ASN 29 N 0.41 1.78 -0.70 5.45 2.04 -1.26 -1.77 115.26 121.20 1fnt n ASN 29 Ca -0.14 -2.54 -0.03 0.00 -0.44 0.00 0.00 54.58 51.43 1fnt n ASN 29 Cb 0.57 -0.50 -0.03 0.00 -2.53 0.00 0.00 39.78 37.29 1fnt n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1fnt n LYS 30 N -0.30 0.00 -3.52 -3.83 5.02 -1.25 -4.96 118.16 109.31 1fnt n LYS 30 Ca 0.11 -0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 55.56 1fnt n LYS 30 Cb 0.81 0.22 -0.10 0.00 -0.02 0.00 0.00 35.03 35.93 1fnt n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1fnt s PHE 31 N 0.00 3.23 -0.17 2.13 5.36 -1.17 -5.06 117.98 122.30 1fnt s PHE 31 Ca 0.00 -0.60 -0.12 0.00 -0.96 0.00 0.00 56.93 55.25 1fnt s PHE 31 Cb 0.00 -2.52 -0.05 0.00 -0.34 0.00 0.00 43.02 40.11 1fnt s PHE 31 CO 0.00 -0.55 0.23 -1.21 -1.46 0.00 0.00 175.22 172.23 1fnt s GLU 32 N 1.66 4.21 0.00 10.12 2.02 -1.26 -4.46 118.70 130.98 1fnt s GLU 32 Ca 0.05 -0.02 0.18 0.00 0.02 0.00 0.00 54.97 55.20 1fnt s GLU 32 Cb -0.19 -3.41 0.51 0.00 0.10 0.00 0.00 34.13 31.14 1fnt s GLU 32 CO 0.09 0.28 1.43 1.63 0.02 0.00 0.00 175.26 178.71 1fnt n LYS 33 N 3.49 2.34 -4.59 1.61 4.01 -1.26 -4.87 118.16 118.89 1fnt n LYS 33 Ca -0.14 -2.08 -0.26 0.00 -0.51 0.00 0.00 58.31 55.33 1fnt n LYS 33 Cb 0.52 -1.45 -0.17 0.00 -0.51 0.00 0.00 35.03 33.42 1fnt n LYS 33 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1fnt s ILE 34 N -1.24 1.24 0.01 -0.18 1.01 -1.26 -2.15 121.20 118.62 1fnt s ILE 34 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1fnt s ILE 34 Cb 0.20 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 1fnt s ILE 34 CO 0.27 0.38 0.01 0.49 0.00 0.00 0.00 174.94 176.08 1fnt n PHE 35 N 3.89 -0.04 -3.58 3.97 3.72 -0.98 -5.02 117.46 119.42 1fnt n PHE 35 Ca -0.22 -0.06 -0.09 0.00 -0.05 0.00 0.00 57.45 57.04 1fnt n PHE 35 Cb 0.52 0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 1fnt n PHE 35 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 1fnt s HIS 36 N -2.20 -0.37 -0.49 1.38 -3.43 -1.26 -1.80 115.29 107.13 1fnt s HIS 36 Ca 0.01 0.10 0.03 0.00 -0.80 0.00 0.00 55.06 54.40 1fnt s HIS 36 Cb 0.00 0.60 0.15 0.00 -1.43 0.00 0.00 32.58 31.90 1fnt s HIS 36 CO 0.01 -0.88 0.30 0.71 -2.00 0.00 0.00 174.74 172.88 1fnt s TYR 37 N -3.61 2.18 0.00 0.38 2.02 -0.13 -4.95 117.35 113.24 1fnt s TYR 37 Ca 0.06 -2.60 0.00 0.00 -0.37 0.00 0.00 57.07 54.15 1fnt s TYR 37 Cb -0.02 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1fnt s TYR 37 CO -0.06 -0.74 0.00 0.41 -1.57 0.00 0.00 175.55 173.59 1fnt n GLY 38 N 3.13 2.40 1.07 0.71 0.00 -1.26 -2.92 105.19 108.31 1fnt n GLY 38 Ca 0.14 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1fnt n GLY 38 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fnt n HIS 39 N 11.72 0.81 -4.33 1.61 1.44 -1.26 -4.92 115.22 120.31 1fnt n HIS 39 Ca 0.00 -0.38 -0.35 0.00 -2.01 0.00 0.00 57.72 54.98 1fnt n HIS 39 Cb 0.00 -0.04 -0.10 0.00 0.12 0.00 0.00 29.99 29.98 1fnt n HIS 39 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1fnt s VAL 40 N -1.36 4.36 -0.06 0.61 1.01 -1.15 -4.51 120.40 119.30 1fnt s VAL 40 Ca 0.37 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1fnt s VAL 40 Cb 0.20 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1fnt s VAL 40 CO 0.24 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.42 1fnt s PHE 41 N -0.67 2.72 -0.05 5.22 0.40 -1.03 -0.96 117.98 123.61 1fnt s PHE 41 Ca 0.11 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1fnt s PHE 41 Cb -0.12 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.78 1fnt s PHE 41 CO 0.02 0.13 -0.04 -1.17 0.70 0.00 0.00 175.22 174.86 1fnt s LEU 42 N -0.58 1.24 -0.10 -0.37 2.96 -0.74 -1.91 118.68 119.18 1fnt s LEU 42 Ca 0.08 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1fnt s LEU 42 Cb -0.11 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.07 1fnt s LEU 42 CO 0.01 -0.07 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.00 1fnt s GLY 43 N 1.07 1.52 -0.04 7.98 0.00 -0.21 -2.31 107.32 115.34 1fnt s GLY 43 Ca -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1fnt s GLY 43 CO -0.01 -0.39 -0.05 -0.42 0.00 0.00 0.00 173.10 172.24 1fnt s ILE 44 N -0.00 0.53 0.55 0.90 1.01 -0.91 -0.07 121.20 123.21 1fnt s ILE 44 Ca -0.04 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1fnt s ILE 44 Cb -0.14 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.80 1fnt s ILE 44 CO 0.04 0.22 0.22 0.42 0.00 0.00 0.00 174.94 175.85 1fnt s THR 45 N 0.84 1.30 0.00 2.92 -4.23 -0.83 -4.83 115.64 110.81 1fnt s THR 45 Ca -0.11 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1fnt s THR 45 Cb -0.14 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1fnt s THR 45 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1fnt n GLY 46 N -1.58 -0.00 3.61 3.99 0.00 -1.26 -0.76 105.19 109.19 1fnt n GLY 46 Ca -0.11 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1fnt n GLY 46 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fnt s LEU 47 N 0.00 3.67 0.11 0.99 2.96 0.01 -4.63 118.68 121.79 1fnt s LEU 47 Ca 0.00 1.69 -0.21 0.00 -0.22 0.00 0.00 54.13 55.39 1fnt s LEU 47 Cb 0.00 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1fnt s LEU 47 CO 0.00 -1.61 1.08 0.00 -1.32 0.00 0.00 176.35 174.49 1fnt n ALA 48 N 9.99 -0.42 0.00 5.97 0.00 -1.26 -1.12 120.51 133.67 1fnt n ALA 48 Ca 0.24 0.56 -0.11 0.00 0.00 0.00 0.00 53.44 54.13 1fnt n ALA 48 Cb 0.45 -0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 1fnt n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fnt h THR 49 N 0.00 0.96 -0.66 0.00 1.03 -1.99 -1.42 112.91 110.82 1fnt h THR 49 Ca 0.11 -0.02 0.14 0.00 -0.01 0.00 0.00 66.41 66.63 1fnt h THR 49 Cb 0.27 0.90 -0.04 0.00 -1.07 0.00 0.00 68.15 68.21 1fnt h THR 49 CO -0.62 0.01 0.45 0.44 -0.01 0.00 0.00 175.52 175.79 1fnt h ASP 50 N 0.05 0.28 0.62 0.00 5.19 -1.55 0.25 116.42 121.26 1fnt h ASP 50 Ca 0.04 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1fnt h ASP 50 Cb 0.04 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.51 1fnt h ASP 50 CO -0.06 0.15 -0.30 0.58 -3.12 0.00 0.00 179.24 176.50 1fnt h VAL 51 N 0.30 0.00 -0.62 -1.35 2.07 -0.13 -2.19 116.25 114.32 1fnt h VAL 51 Ca 0.32 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.83 1fnt h VAL 51 Cb 0.83 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.49 1fnt h VAL 51 CO -0.08 0.00 -0.11 0.74 0.02 0.00 0.00 177.57 178.14 1fnt h THR 52 N -0.97 0.40 -0.94 2.57 2.02 -0.25 0.27 112.91 116.01 1fnt h THR 52 Ca -0.08 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.20 1fnt h THR 52 Cb 0.64 0.37 -0.08 0.00 -1.74 0.00 0.00 68.15 67.34 1fnt h THR 52 CO 0.14 0.01 0.57 0.74 0.37 0.00 0.00 175.52 177.35 1fnt h THR 53 N 0.03 0.91 0.21 3.16 2.02 -0.57 -2.32 112.91 116.34 1fnt h THR 53 Ca 0.31 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1fnt h THR 53 Cb 0.49 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1fnt h THR 53 CO -0.61 0.17 -0.10 -0.07 0.37 0.00 0.00 175.52 175.27 1fnt h LEU 54 N 0.91 -0.24 -0.55 2.58 -0.00 0.17 0.27 115.31 118.45 1fnt h LEU 54 Ca 0.46 -0.15 0.10 0.00 -0.00 0.00 0.00 57.88 58.30 1fnt h LEU 54 Cb 0.46 0.06 -0.11 0.00 -0.00 0.00 0.00 40.66 41.07 1fnt h LEU 54 CO -0.27 0.02 -0.30 -1.13 -0.00 0.00 0.00 178.44 176.77 1fnt h ASN 55 N -0.50 -1.03 -0.13 -0.43 -1.24 -0.89 0.30 115.58 111.67 1fnt h ASN 55 Ca -0.03 0.21 0.04 0.00 0.71 0.00 0.00 56.30 57.23 1fnt h ASN 55 Cb 0.38 0.52 -0.04 0.00 0.73 0.00 0.00 38.32 39.90 1fnt h ASN 55 CO 0.05 -0.29 -0.14 -0.33 -1.29 0.00 0.00 177.43 175.43 1fnt h GLU 56 N -0.15 -0.16 -0.84 6.67 4.39 -1.32 0.25 114.58 123.43 1fnt h GLU 56 Ca 0.23 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.00 1fnt h GLU 56 Cb 0.53 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 1fnt h GLU 56 CO -0.64 -0.11 0.55 1.98 -1.16 0.00 0.00 179.01 179.63 1fnt h MET 57 N -0.17 0.92 0.12 2.33 4.05 0.77 -1.54 114.93 121.41 1fnt h MET 57 Ca 0.09 -0.06 -0.29 0.00 -0.28 0.00 0.00 59.70 59.17 1fnt h MET 57 Cb 0.30 -0.21 0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1fnt h MET 57 CO -0.23 0.61 -1.21 0.74 0.23 0.00 0.00 176.91 177.05 1fnt h PHE 58 N 0.95 0.98 -0.57 1.39 0.04 0.68 -2.79 116.94 117.62 1fnt h PHE 58 Ca 0.36 -0.62 0.08 0.00 2.80 0.00 0.00 57.97 60.59 1fnt h PHE 58 Cb 0.18 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 1fnt h PHE 58 CO -0.00 1.46 0.22 -0.09 -0.60 0.00 0.00 178.31 179.30 1fnt h ARG 59 N 0.23 0.39 0.09 1.51 2.43 -0.34 -0.81 114.38 117.88 1fnt h ARG 59 Ca -0.18 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1fnt h ARG 59 Cb 1.89 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.33 1fnt h ARG 59 CO 0.23 0.26 -0.26 -0.92 -1.51 0.00 0.00 179.97 177.77 1fnt h TYR 60 N 0.40 -0.75 -0.94 2.20 5.03 -1.32 -2.22 116.97 119.38 1fnt h TYR 60 Ca 0.28 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.63 1fnt h TYR 60 Cb 0.33 0.32 -0.05 0.00 1.55 0.00 0.00 36.73 38.87 1fnt h TYR 60 CO -0.16 -0.30 0.62 0.87 -1.32 0.00 0.00 178.16 177.87 1fnt h LYS 61 N -0.39 1.20 -0.31 1.82 1.57 -1.18 -2.67 116.57 116.60 1fnt h LYS 61 Ca -0.01 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1fnt h LYS 61 Cb 0.38 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1fnt h LYS 61 CO -0.12 0.79 -0.17 1.79 -0.57 0.00 0.00 179.45 181.17 1fnt h THR 62 N 1.23 1.25 -0.04 -0.16 1.35 -1.09 -0.18 112.91 115.27 1fnt h THR 62 Ca 0.36 -1.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1fnt h THR 62 Cb -0.08 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1fnt h THR 62 CO -0.09 0.37 0.02 0.78 -0.25 0.00 0.00 175.52 176.35 1fnt h ASN 63 N 0.50 0.05 0.29 5.36 2.35 -1.08 -0.81 115.58 122.25 1fnt h ASN 63 Ca 0.08 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1fnt h ASN 63 Cb 0.58 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1fnt h ASN 63 CO 0.04 0.18 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.85 1fnt h LEU 64 N -0.08 0.00 0.06 1.61 3.38 -1.16 -1.88 115.31 117.24 1fnt h LEU 64 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1fnt h LEU 64 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1fnt h LEU 64 CO -0.00 0.08 -0.03 0.22 0.09 0.00 0.00 178.44 178.80 1fnt h TYR 65 N 0.00 -0.07 -0.93 1.13 5.03 -0.79 -3.25 116.97 118.08 1fnt h TYR 65 Ca -0.00 -0.00 0.27 0.00 2.58 0.00 0.00 58.73 61.58 1fnt h TYR 65 Cb 0.25 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.52 1fnt h TYR 65 CO 0.00 -0.05 0.81 -0.22 -1.32 0.00 0.00 178.16 177.39 1fnt h LYS 66 N -0.79 0.00 0.10 1.82 3.11 -0.93 -1.30 116.57 118.58 1fnt h LYS 66 Ca -0.01 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1fnt h LYS 66 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1fnt h LYS 66 CO 0.01 0.00 -0.05 -0.07 -2.81 0.00 0.00 179.45 176.54 1fnt h LEU 67 N 0.00 -0.11 -0.60 5.20 4.07 -1.45 0.04 115.31 122.45 1fnt h LEU 67 Ca 0.44 -0.47 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 1fnt h LEU 67 Cb 2.06 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.82 1fnt h LEU 67 CO -0.00 0.49 -0.32 0.11 -1.08 0.00 0.00 178.44 177.63 1fnt h LYS 68 N -0.80 0.00 -0.23 1.13 1.57 -1.46 -3.26 116.57 113.52 1fnt h LYS 68 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1fnt h LYS 68 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1fnt h LYS 68 CO 0.02 0.32 0.00 0.39 -0.57 0.00 0.00 179.45 179.61 1fnt n GLU 69 N -3.32 2.01 -3.24 3.15 1.02 -0.54 -4.98 120.64 114.74 1fnt n GLU 69 Ca 0.01 -1.90 -0.18 0.00 -0.02 0.00 0.00 57.16 55.07 1fnt n GLU 69 Cb 0.56 -1.38 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 1fnt n GLU 69 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1fnt n GLU 70 N 1.08 -2.48 -3.61 3.49 4.71 -0.04 -4.90 120.64 118.89 1fnt n GLU 70 Ca 0.14 0.22 -0.14 0.00 -0.01 0.00 0.00 57.16 57.37 1fnt n GLU 70 Cb 0.49 -4.81 -0.07 0.00 -1.01 0.00 0.00 31.44 26.04 1fnt n GLU 70 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 1fnt s ARG 71 N -5.84 0.85 0.53 3.49 1.70 -0.98 -5.03 118.95 113.66 1fnt s ARG 71 Ca 0.32 0.86 -0.21 0.00 -0.47 0.00 0.00 55.73 56.23 1fnt s ARG 71 Cb -0.18 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.56 1fnt s ARG 71 CO 0.39 -0.13 1.19 0.00 -1.08 0.00 0.00 175.30 175.67 1fnt s ALA 72 N 0.12 2.76 0.36 7.88 0.00 -1.26 -3.79 121.76 127.82 1fnt s ALA 72 Ca -0.01 0.97 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 1fnt s ALA 72 Cb -0.04 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 1fnt s ALA 72 CO 0.02 -0.91 1.34 1.51 0.00 0.00 0.00 175.76 177.72 1fnt n ILE 73 N -1.09 2.03 -3.53 0.00 0.13 -1.26 -4.97 119.36 110.67 1fnt n ILE 73 Ca 0.11 -0.50 -0.31 0.00 -1.10 0.00 0.00 62.75 60.95 1fnt n ILE 73 Cb 0.49 -1.68 -0.05 0.00 -0.84 0.00 0.00 39.64 37.56 1fnt n ILE 73 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1fnt s GLU 74 N -1.96 3.68 0.01 9.51 0.41 -1.26 -4.80 118.70 124.29 1fnt s GLU 74 Ca 0.55 0.03 -0.04 0.00 -0.41 0.00 0.00 54.97 55.10 1fnt s GLU 74 Cb -0.54 -2.74 -0.02 0.00 -1.78 0.00 0.00 34.13 29.05 1fnt s GLU 74 CO 0.63 0.37 1.07 -1.35 -0.49 0.00 0.00 175.26 175.48 1fnt h PRO 75 N 2.47 -0.07 -0.95 0.39 0.11 -1.94 0.18 132.00 132.19 1fnt h PRO 75 Ca -0.47 0.01 0.25 0.00 0.11 0.00 0.00 66.00 65.90 1fnt h PRO 75 Cb 1.17 0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 1fnt h PRO 75 CO 0.70 -0.05 0.46 0.93 -0.21 0.00 0.00 178.00 179.84 1fnt h GLU 76 N -0.08 0.39 0.46 1.05 3.07 -1.99 0.23 114.58 117.72 1fnt h GLU 76 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1fnt h GLU 76 Cb 0.09 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1fnt h GLU 76 CO -0.05 0.26 -0.22 1.15 -1.40 0.00 0.00 179.01 178.75 1fnt h THR 77 N 0.41 0.53 -0.68 1.13 2.02 -1.89 -2.61 112.91 111.82 1fnt h THR 77 Ca 0.62 -0.23 0.14 0.00 0.77 0.00 0.00 66.41 67.71 1fnt h THR 77 Cb 1.25 0.64 -0.11 0.00 -1.74 0.00 0.00 68.15 68.18 1fnt h THR 77 CO -0.55 0.04 0.11 0.15 0.37 0.00 0.00 175.52 175.64 1fnt h PHE 78 N -0.76 0.16 0.19 3.16 3.57 0.13 -1.83 116.94 121.56 1fnt h PHE 78 Ca -0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1fnt h PHE 78 Cb 0.54 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1fnt h PHE 78 CO -0.01 -0.11 -0.37 1.15 -2.23 0.00 0.00 178.31 176.73 1fnt h THR 79 N 0.22 0.00 -1.14 4.41 2.02 -1.01 0.33 112.91 117.73 1fnt h THR 79 Ca 0.37 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.88 1fnt h THR 79 Cb 0.62 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1fnt h THR 79 CO -0.51 0.00 0.81 1.56 0.37 0.00 0.00 175.52 177.76 1fnt h GLN 80 N -0.61 0.03 0.00 6.66 1.08 -0.97 -0.33 115.11 120.97 1fnt h GLN 80 Ca -0.02 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1fnt h GLN 80 Cb 0.58 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1fnt h GLN 80 CO -0.15 0.02 0.00 -0.11 -0.95 0.00 0.00 178.83 177.64 1fnt n LEU 81 N -4.23 0.56 -0.69 1.46 7.94 -0.26 -2.31 117.00 119.47 1fnt n LEU 81 Ca 0.25 0.48 0.53 0.00 -1.11 0.00 0.00 56.01 56.16 1fnt n LEU 81 Cb 1.19 -0.38 0.82 0.00 0.53 0.00 0.00 43.42 45.57 1fnt n LEU 81 CO 0.39 -0.38 1.49 1.62 -1.11 0.00 0.00 177.39 179.39 1fnt h VAL 82 N 0.00 0.02 0.72 1.96 3.04 -0.08 0.27 116.25 122.18 1fnt h VAL 82 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1fnt h VAL 82 Cb 0.00 0.02 0.01 0.00 -2.01 0.00 0.00 31.29 29.31 1fnt h VAL 82 CO 0.00 0.00 -0.35 -1.28 -1.01 0.00 0.00 177.57 174.93 1fnt h SER 83 N 0.00 -0.82 -0.71 3.17 0.87 -1.12 -2.36 113.55 112.59 1fnt h SER 83 Ca 0.92 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 61.59 1fnt h SER 83 Cb 3.72 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 65.83 1fnt h SER 83 CO -0.01 -0.54 0.38 0.77 -0.53 0.00 0.00 176.83 176.90 1fnt h SER 84 N -1.06 0.54 -0.71 6.23 4.64 -0.11 -2.59 113.55 120.49 1fnt h SER 84 Ca -0.10 0.04 0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1fnt h SER 84 Cb 0.74 -0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.69 1fnt h SER 84 CO 0.16 0.33 0.30 0.28 -0.87 0.00 0.00 176.83 177.03 1fnt h SER 85 N 0.68 0.31 -0.40 4.97 0.02 -1.14 -0.24 113.55 117.76 1fnt h SER 85 Ca 0.33 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.33 1fnt h SER 85 Cb 0.28 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1fnt h SER 85 CO -0.22 0.15 0.12 -0.07 -1.14 0.00 0.00 176.83 175.67 1fnt h LEU 86 N 0.48 0.65 -0.03 5.07 3.38 -1.04 -3.15 115.31 120.67 1fnt h LEU 86 Ca 0.37 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 1fnt h LEU 86 Cb 0.50 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1fnt h LEU 86 CO -0.34 0.64 -0.45 0.22 0.09 0.00 0.00 178.44 178.60 1fnt h TYR 87 N 0.68 0.50 -1.68 1.13 3.20 -0.98 -3.25 116.97 116.57 1fnt h TYR 87 Ca 0.16 -0.25 0.52 0.00 3.14 0.00 0.00 58.73 62.29 1fnt h TYR 87 Cb 0.25 -0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.36 1fnt h TYR 87 CO 0.01 1.04 1.17 0.39 -1.64 0.00 0.00 178.16 179.14 1fnt n GLU 88 N -4.33 -0.01 -2.58 1.82 1.02 -0.23 0.12 120.64 116.45 1fnt n GLU 88 Ca -0.09 1.10 -0.34 0.00 -0.02 0.00 0.00 57.16 57.80 1fnt n GLU 88 Cb 0.59 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 1fnt n GLU 88 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1fnt n ARG 89 N -4.13 3.95 0.00 3.49 5.12 -1.23 -4.79 116.66 119.07 1fnt n ARG 89 Ca 0.41 -4.50 0.14 0.00 -1.93 0.00 0.00 57.85 51.97 1fnt n ARG 89 Cb 1.78 -2.33 0.56 0.00 -1.16 0.00 0.00 32.46 31.31 1fnt n ARG 89 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1fnt n ARG 90 N -0.27 0.11 -0.08 5.56 3.00 0.33 -2.59 116.66 122.72 1fnt n ARG 90 Ca 0.42 -0.02 0.03 0.00 -0.00 0.00 0.00 57.85 58.28 1fnt n ARG 90 Cb 0.36 -1.50 0.07 0.00 0.00 0.00 0.00 32.46 31.39 1fnt n ARG 90 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1fnt n PHE 91 N -1.42 0.19 -2.79 -0.14 3.72 -1.26 -4.49 117.46 111.27 1fnt n PHE 91 Ca 0.08 -0.57 -0.10 0.00 -0.05 0.00 0.00 57.45 56.82 1fnt n PHE 91 Cb 0.32 -0.07 0.04 0.00 -0.94 0.00 0.00 39.48 38.84 1fnt n PHE 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fnt n GLY 92 N -0.29 0.37 3.76 1.37 0.00 -1.24 -5.15 105.19 104.02 1fnt n GLY 92 Ca 0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1fnt n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fnt s PRO 93 N 0.46 2.93 -0.17 1.61 0.04 -1.07 -4.77 135.00 134.04 1fnt s PRO 93 Ca 0.31 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 1fnt s PRO 93 Cb 0.23 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 1fnt s PRO 93 CO -0.21 -1.18 0.61 0.71 0.04 0.00 0.00 177.00 176.96 1fnt s TYR 94 N -1.96 3.42 -1.29 0.56 2.02 -1.26 -4.98 117.35 113.87 1fnt s TYR 94 Ca 0.72 0.95 -0.19 0.00 -0.37 0.00 0.00 57.07 58.19 1fnt s TYR 94 Cb -0.25 -2.75 0.05 0.00 -0.40 0.00 0.00 41.96 38.62 1fnt s TYR 94 CO 0.35 -0.08 1.76 -0.06 -1.57 0.00 0.00 175.55 175.95 1fnt s PHE 95 N 1.54 2.70 0.30 2.71 0.08 -1.26 -4.66 117.98 119.38 1fnt s PHE 95 Ca 0.29 -1.42 0.03 0.00 0.12 0.00 0.00 56.93 55.96 1fnt s PHE 95 Cb -0.16 -4.68 -0.03 0.00 -0.57 0.00 0.00 43.02 37.58 1fnt s PHE 95 CO 0.11 -1.75 0.27 0.14 -0.10 0.00 0.00 175.22 173.89 1fnt s VAL 96 N 4.91 0.00 -0.40 -0.44 -7.23 -1.26 -0.81 120.40 115.17 1fnt s VAL 96 Ca 0.55 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 1fnt s VAL 96 Cb 0.03 -2.51 0.16 0.00 0.56 0.00 0.00 36.38 34.63 1fnt s VAL 96 CO 0.08 0.00 0.34 -0.83 -0.31 0.00 0.00 175.10 174.38 1fnt s GLY 97 N -3.29 0.90 0.86 2.32 0.00 0.06 -3.35 107.32 104.83 1fnt s GLY 97 Ca 0.38 -2.13 -0.12 0.00 0.00 0.00 0.00 44.72 42.86 1fnt s GLY 97 CO 0.22 2.25 1.12 2.56 0.00 0.00 0.00 173.10 179.25 1fnt s PRO 98 N 0.39 1.54 -0.27 2.90 0.04 -1.25 -1.96 135.00 136.39 1fnt s PRO 98 Ca 0.29 0.42 -0.06 0.00 0.04 0.00 0.00 61.00 61.70 1fnt s PRO 98 Cb -0.03 -1.87 0.14 0.00 0.04 0.00 0.00 34.50 32.78 1fnt s PRO 98 CO -0.14 -1.95 0.55 0.08 0.04 0.00 0.00 177.00 175.57 1fnt s VAL 99 N -3.24 -0.87 0.07 -0.36 1.01 0.90 -2.69 120.40 115.23 1fnt s VAL 99 Ca 0.63 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1fnt s VAL 99 Cb -0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1fnt s VAL 99 CO 0.54 -0.00 0.07 -0.69 0.00 0.00 0.00 175.10 175.02 1fnt s VAL 100 N 2.77 4.53 -0.22 2.92 1.01 -0.26 -1.04 120.40 130.12 1fnt s VAL 100 Ca 0.06 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 1fnt s VAL 100 Cb -0.13 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 33.19 1fnt s VAL 100 CO -0.18 0.16 0.91 0.00 0.00 0.00 0.00 175.10 175.99 1fnt s ALA 101 N -1.35 -1.89 0.00 5.51 0.00 -0.80 0.40 121.76 123.62 1fnt s ALA 101 Ca 0.28 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1fnt s ALA 101 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1fnt s ALA 101 CO 0.20 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1fnt n GLY 102 N 1.77 0.88 2.86 0.00 0.00 -0.25 -2.47 105.19 107.99 1fnt n GLY 102 Ca -0.13 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 1fnt n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fnt s ILE 103 N -2.17 1.01 -0.10 -0.61 1.01 -1.26 -0.31 121.20 118.76 1fnt s ILE 103 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 1fnt s ILE 103 Cb 0.00 -1.23 -0.06 0.00 0.01 0.00 0.00 42.46 41.17 1fnt s ILE 103 CO 0.00 0.07 1.96 0.21 0.00 0.00 0.00 174.94 177.18 1fnt s ASN 104 N 1.67 6.13 0.00 3.58 3.84 -1.05 -4.89 114.94 124.22 1fnt s ASN 104 Ca 0.00 2.18 0.05 0.00 0.21 0.00 0.00 52.86 55.31 1fnt s ASN 104 Cb -0.16 -2.52 0.32 0.00 -0.55 0.00 0.00 41.25 38.34 1fnt s ASN 104 CO -0.07 -1.38 0.71 -1.54 -2.79 0.00 0.00 177.10 172.02 1fnt n SER 105 N 9.04 0.00 0.01 -4.21 3.41 -1.26 0.42 113.62 121.03 1fnt n SER 105 Ca 0.23 -0.37 -0.02 0.00 -0.26 0.00 0.00 58.87 58.45 1fnt n SER 105 Cb 0.43 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1fnt n SER 105 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fnt n LYS 106 N -0.82 0.11 0.04 4.33 4.76 -1.26 -4.77 118.16 120.55 1fnt n LYS 106 Ca 0.04 0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 1fnt n LYS 106 Cb 0.02 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1fnt n LYS 106 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1fnt h SER 107 N -0.21 0.56 0.00 4.39 4.64 -1.98 -3.47 113.55 117.48 1fnt h SER 107 Ca 0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1fnt h SER 107 Cb 0.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1fnt h SER 107 CO 0.00 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 1fnt n GLY 108 N 0.64 0.62 3.69 -0.77 0.00 0.17 -5.04 105.19 104.50 1fnt n GLY 108 Ca -0.05 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1fnt n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fnt s LYS 109 N -0.61 4.37 0.61 1.61 2.20 -1.25 -4.73 119.74 121.95 1fnt s LYS 109 Ca 0.00 1.01 -0.19 0.00 -0.36 0.00 0.00 55.97 56.43 1fnt s LYS 109 Cb 0.00 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1fnt s LYS 109 CO 0.00 -0.17 1.32 -2.14 -0.36 0.00 0.00 175.35 174.01 1fnt s PRO 110 N 1.57 2.75 -0.02 4.03 0.02 -1.26 -2.54 135.00 139.55 1fnt s PRO 110 Ca 0.39 2.14 -0.03 0.00 0.02 0.00 0.00 61.00 63.53 1fnt s PRO 110 Cb -0.17 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1fnt s PRO 110 CO 0.16 -1.47 0.07 0.12 -0.33 0.00 0.00 177.00 175.56 1fnt s PHE 111 N -1.35 -0.04 -0.12 6.54 5.99 0.57 -4.93 117.98 124.65 1fnt s PHE 111 Ca 0.79 0.10 -0.11 0.00 0.00 0.00 0.00 56.93 57.71 1fnt s PHE 111 Cb -0.39 -0.00 0.03 0.00 0.00 0.00 0.00 43.02 42.66 1fnt s PHE 111 CO 0.43 -0.08 0.32 0.96 -0.00 0.00 0.00 175.22 176.85 1fnt s ILE 112 N -0.25 -0.00 0.07 3.12 -4.36 -1.26 -1.09 121.20 117.44 1fnt s ILE 112 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 60.65 60.26 1fnt s ILE 112 Cb -0.02 -0.45 0.00 0.00 1.25 0.00 0.00 42.46 43.25 1fnt s ILE 112 CO 0.00 0.00 0.22 0.00 0.24 0.00 0.00 174.94 175.40 1fnt s ALA 113 N 0.17 -0.37 0.03 2.27 0.00 0.16 -3.64 121.76 120.39 1fnt s ALA 113 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 1fnt s ALA 113 Cb -0.02 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1fnt s ALA 113 CO 0.00 -0.47 0.03 0.20 0.00 0.00 0.00 175.76 175.53 1fnt s GLY 114 N -2.55 0.25 0.08 0.00 0.00 -0.85 -1.10 107.32 103.14 1fnt s GLY 114 Ca 0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 44.72 43.97 1fnt s GLY 114 CO -0.08 -0.77 0.19 -1.36 0.00 0.00 0.00 173.10 171.07 1fnt s PHE 115 N -2.38 0.13 0.41 1.90 0.40 -1.09 -1.09 117.98 116.26 1fnt s PHE 115 Ca -0.07 -0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 55.70 1fnt s PHE 115 Cb -0.03 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.41 1fnt s PHE 115 CO -0.04 -0.53 0.67 0.16 0.70 0.00 0.00 175.22 176.19 1fnt s ASP 116 N -2.73 6.29 0.04 1.36 1.47 -1.19 -3.97 116.67 117.94 1fnt s ASP 116 Ca 0.03 0.72 0.01 0.00 1.18 0.00 0.00 52.55 54.49 1fnt s ASP 116 Cb 0.04 -2.15 0.04 0.00 -0.34 0.00 0.00 42.92 40.50 1fnt s ASP 116 CO -0.10 -0.43 0.68 0.00 0.68 0.00 0.00 175.17 175.99 1fnt n LEU 117 N -1.96 0.02 -0.38 2.11 -0.00 -1.21 -0.22 117.00 115.35 1fnt n LEU 117 Ca -0.02 0.16 0.05 0.00 -0.00 0.00 0.00 56.01 56.20 1fnt n LEU 117 Cb 0.55 -0.14 0.05 0.00 -0.00 0.00 0.00 43.42 43.88 1fnt n LEU 117 CO 0.51 -0.17 0.41 2.30 -0.00 0.00 0.00 177.39 180.44 1fnt n ILE 118 N -1.22 0.08 0.00 1.47 -5.35 -1.26 -4.11 119.36 108.97 1fnt n ILE 118 Ca -0.00 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 1fnt n ILE 118 Cb 0.39 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 1fnt n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fnt n GLY 119 N 0.50 1.03 3.69 3.28 0.00 0.69 -2.93 105.19 111.44 1fnt n GLY 119 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1fnt n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fnt s ILE 121 N 2.00 4.96 -0.57 0.00 1.01 -1.26 -3.19 121.20 124.15 1fnt s ILE 121 Ca 0.51 1.36 -0.06 0.00 0.00 0.00 0.00 60.65 62.46 1fnt s ILE 121 Cb -0.21 -4.02 0.15 0.00 0.01 0.00 0.00 42.46 38.39 1fnt s ILE 121 CO 0.20 0.07 0.41 -0.62 0.00 0.00 0.00 174.94 175.00 1fnt s ASP 122 N 1.21 5.60 -0.10 3.58 -1.08 -0.25 -4.99 116.67 120.63 1fnt s ASP 122 Ca 0.32 -2.40 -0.26 0.00 -0.52 0.00 0.00 52.55 49.70 1fnt s ASP 122 Cb -0.16 -1.95 -0.02 0.00 -1.46 0.00 0.00 42.92 39.33 1fnt s ASP 122 CO 0.11 -0.53 0.83 -1.61 0.52 0.00 0.00 175.17 174.49 1fnt s GLU 123 N 0.62 4.40 0.08 4.34 0.41 -1.26 -2.01 118.70 125.28 1fnt s GLU 123 Ca 0.12 1.07 0.01 0.00 -0.41 0.00 0.00 54.97 55.77 1fnt s GLU 123 Cb -0.21 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.59 1fnt s GLU 123 CO -0.03 -0.15 -0.06 0.00 -0.49 0.00 0.00 175.26 174.52 1fnt s ALA 124 N 1.50 0.79 -1.01 5.21 0.00 -1.24 -5.05 121.76 121.96 1fnt s ALA 124 Ca 0.41 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 51.28 1fnt s ALA 124 Cb -0.18 0.15 0.08 0.00 0.00 0.00 0.00 23.12 23.17 1fnt s ALA 124 CO 0.17 -0.21 0.79 0.36 0.00 0.00 0.00 175.76 176.88 1fnt n LYS 125 N 0.36 0.32 0.06 0.00 -0.00 -1.26 -4.52 118.16 113.12 1fnt n LYS 125 Ca -0.15 -1.05 0.00 0.00 -0.00 0.00 0.00 58.31 57.11 1fnt n LYS 125 Cb 0.59 -1.16 0.00 0.00 -0.00 0.00 0.00 35.03 34.46 1fnt n LYS 125 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1fnt n ASP 126 N 0.45 0.88 -3.52 -5.58 5.68 -1.26 -4.70 116.55 108.50 1fnt n ASP 126 Ca 0.05 0.17 -0.12 0.00 -0.50 0.00 0.00 54.79 54.40 1fnt n ASP 126 Cb 0.22 -0.22 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 1fnt n ASP 126 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1fnt s PHE 127 N -1.92 -0.39 -0.01 2.11 -0.12 -1.26 -2.29 117.98 114.10 1fnt s PHE 127 Ca 0.00 0.16 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 1fnt s PHE 127 Cb 0.00 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 1fnt s PHE 127 CO 0.00 -0.77 -0.05 0.42 -0.05 0.00 0.00 175.22 174.77 1fnt s ILE 128 N -3.65 0.43 0.01 -4.49 -1.09 -0.03 -4.90 121.20 107.48 1fnt s ILE 128 Ca 0.01 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1fnt s ILE 128 Cb 0.00 -0.38 -0.01 0.00 -1.58 0.00 0.00 42.46 40.49 1fnt s ILE 128 CO -0.12 0.14 -0.06 0.68 -1.23 0.00 0.00 174.94 174.35 1fnt s VAL 129 N 0.05 0.46 -0.04 2.92 -7.23 -1.26 -1.25 120.40 114.05 1fnt s VAL 129 Ca -0.00 -0.54 -0.22 0.00 -1.81 0.00 0.00 61.98 59.41 1fnt s VAL 129 Cb -0.04 -0.45 0.04 0.00 0.56 0.00 0.00 36.38 36.50 1fnt s VAL 129 CO -0.00 -0.07 0.48 -0.44 -0.31 0.00 0.00 175.10 174.76 1fnt s SER 130 N -0.67 -0.41 0.00 4.85 0.01 -0.94 -5.02 113.70 111.52 1fnt s SER 130 Ca -0.02 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1fnt s SER 130 Cb -0.05 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1fnt s SER 130 CO 0.00 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1fnt n GLY 131 N 1.23 0.83 0.13 3.44 0.00 -1.26 -2.07 105.19 107.49 1fnt n GLY 131 Ca -0.20 -2.31 -0.04 0.00 0.00 0.00 0.00 46.02 43.47 1fnt n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fnt h THR 132 N 0.00 0.00 -0.33 2.61 2.02 -1.74 -2.36 112.91 113.11 1fnt h THR 132 Ca 0.00 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 66.73 1fnt h THR 132 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1fnt h THR 132 CO 0.00 0.00 1.29 0.00 0.37 0.00 0.00 175.52 177.18 1fnt n ALA 133 N -2.97 6.79 -0.10 6.16 0.00 -1.26 -4.58 120.51 124.55 1fnt n ALA 133 Ca -0.00 -2.80 -0.10 0.00 0.00 0.00 0.00 53.44 50.54 1fnt n ALA 133 Cb 0.09 -2.64 -0.02 0.00 0.00 0.00 0.00 19.45 16.87 1fnt n ALA 133 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fnt h SER 134 N 3.76 0.41 -0.39 0.00 0.87 -1.75 -2.60 113.55 113.86 1fnt h SER 134 Ca 0.48 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1fnt h SER 134 Cb 0.88 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 1fnt h SER 134 CO 0.94 0.46 0.03 0.44 -0.53 0.00 0.00 176.83 178.16 1fnt h ASP 135 N 0.34 0.71 0.33 6.23 5.19 -1.87 -1.70 116.42 125.65 1fnt h ASP 135 Ca 0.10 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 1fnt h ASP 135 Cb 0.17 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1fnt h ASP 135 CO -0.01 0.76 -0.39 1.56 -3.12 0.00 0.00 179.24 178.04 1fnt h GLN 136 N 0.71 0.10 -0.27 3.56 7.50 -1.90 -2.90 115.11 121.91 1fnt h GLN 136 Ca 0.15 -0.04 -0.18 0.00 0.50 0.00 0.00 58.65 59.08 1fnt h GLN 136 Cb 0.39 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 1fnt h GLN 136 CO 0.01 0.48 -0.54 -0.07 -1.50 0.00 0.00 178.83 177.21 1fnt h LEU 137 N 0.08 0.89 -1.45 1.46 3.38 -0.93 -2.78 115.31 115.96 1fnt h LEU 137 Ca 0.01 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1fnt h LEU 137 Cb 0.73 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1fnt h LEU 137 CO 0.05 1.25 -0.28 -0.26 0.09 0.00 0.00 178.44 179.30 1fnt h PHE 138 N 0.61 0.00 -0.61 1.13 0.04 -1.31 -0.71 116.94 116.10 1fnt h PHE 138 Ca 0.02 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 1fnt h PHE 138 Cb 1.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 1fnt h PHE 138 CO 0.07 0.28 0.13 0.78 -0.60 0.00 0.00 178.31 178.96 1fnt h GLY 139 N 0.85 1.06 0.27 -1.45 0.00 -1.30 -1.38 103.07 101.12 1fnt h GLY 139 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1fnt h GLY 139 CO 0.04 0.64 -0.13 -0.33 0.00 0.00 0.00 176.54 176.76 1fnt h MET 140 N 0.90 -0.35 -0.87 4.80 2.86 -1.30 -3.28 114.93 117.70 1fnt h MET 140 Ca 0.19 0.02 0.22 0.00 -2.06 0.00 0.00 59.70 58.08 1fnt h MET 140 Cb 0.39 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 31.99 1fnt h MET 140 CO 0.01 -0.23 0.26 0.00 1.06 0.00 0.00 176.91 178.01 1fnt h GLU 142 N 0.25 0.00 0.00 0.00 4.57 -1.35 0.86 114.58 118.91 1fnt h GLU 142 Ca 0.54 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.58 1fnt h GLU 142 Cb 1.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1fnt h GLU 142 CO -0.62 0.03 -0.76 0.77 -1.18 0.00 0.00 179.01 177.25 1fnt h SER 143 N 0.00 0.00 0.80 1.04 0.02 -0.59 -3.41 113.55 111.41 1fnt h SER 143 Ca -0.00 -0.68 -0.17 0.00 -0.84 0.00 0.00 61.79 60.10 1fnt h SER 143 Cb 0.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1fnt h SER 143 CO 0.00 1.28 -0.81 -0.07 -1.14 0.00 0.00 176.83 176.10 1fnt h LEU 144 N -1.00 0.01 -9.77 5.07 3.38 -0.83 -3.45 115.31 108.72 1fnt h LEU 144 Ca -0.21 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.23 1fnt h LEU 144 Cb 1.16 -0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.98 1fnt h LEU 144 CO -0.13 0.81 0.87 -0.47 0.09 0.00 0.00 178.44 179.62 1fnt s TYR 145 N -3.17 2.84 -0.07 1.13 5.04 0.28 -4.97 117.35 118.42 1fnt s TYR 145 Ca -0.00 0.78 -0.01 0.00 -2.44 0.00 0.00 57.07 55.40 1fnt s TYR 145 Cb 0.11 -4.02 0.03 0.00 0.35 0.00 0.00 41.96 38.43 1fnt s TYR 145 CO 0.79 -3.47 -0.01 -2.00 -1.34 0.00 0.00 175.55 169.53 1fnt s GLU 146 N -0.23 0.69 -0.11 4.97 2.12 -1.26 -5.00 118.70 119.88 1fnt s GLU 146 Ca 0.64 0.06 -0.38 0.00 0.36 0.00 0.00 54.97 55.66 1fnt s GLU 146 Cb -0.47 -1.00 -0.15 0.00 0.26 0.00 0.00 34.13 32.77 1fnt s GLU 146 CO 0.45 -0.28 1.63 -2.30 -0.54 0.00 0.00 175.26 174.22 1fnt n PRO 147 N 5.03 1.39 -2.64 4.30 -0.02 -1.26 -3.82 135.00 137.99 1fnt n PRO 147 Ca -0.09 0.51 -0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1fnt n PRO 147 Cb 0.50 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1fnt n PRO 147 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1fnt n ASN 148 N 4.58 -6.21 -4.93 2.55 4.13 -1.26 -4.97 115.26 109.15 1fnt n ASN 148 Ca 0.23 -0.06 -0.25 0.00 1.68 0.00 0.00 54.58 56.17 1fnt n ASN 148 Cb 0.18 -4.14 0.01 0.00 -1.54 0.00 0.00 39.78 34.29 1fnt n ASN 148 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1fnt s LEU 149 N -3.48 3.65 0.20 3.41 1.43 -1.25 -4.43 118.68 118.21 1fnt s LEU 149 Ca 0.01 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.44 1fnt s LEU 149 Cb -0.00 -3.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.62 1fnt s LEU 149 CO 0.55 -0.63 0.91 -1.61 0.23 0.00 0.00 176.35 175.80 1fnt s GLU 150 N -4.64 4.78 0.34 1.70 0.41 -1.26 -2.18 118.70 117.84 1fnt s GLU 150 Ca 0.47 1.42 0.12 0.00 -0.41 0.00 0.00 54.97 56.56 1fnt s GLU 150 Cb -0.10 -3.29 1.06 0.00 -1.78 0.00 0.00 34.13 30.02 1fnt s GLU 150 CO 0.41 0.48 1.58 -1.00 -0.49 0.00 0.00 175.26 176.24 1fnt h PRO 151 N 4.43 0.01 -0.02 0.39 0.13 -1.97 0.33 132.00 135.29 1fnt h PRO 151 Ca -0.45 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 1fnt h PRO 151 Cb 1.20 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1fnt h PRO 151 CO 0.68 0.01 -0.31 0.93 -0.23 0.00 0.00 178.00 179.08 1fnt h GLU 152 N 0.01 0.04 0.01 0.86 3.07 -2.00 -1.87 114.58 114.70 1fnt h GLU 152 Ca 0.73 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 59.42 1fnt h GLU 152 Cb 1.75 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.64 1fnt h GLU 152 CO -0.84 0.35 -0.85 -0.44 -1.40 0.00 0.00 179.01 175.83 1fnt h ASP 153 N 0.04 0.04 -0.92 1.42 3.32 -0.87 -3.33 116.42 116.12 1fnt h ASP 153 Ca 0.00 -0.71 0.23 0.00 0.02 0.00 0.00 57.03 56.58 1fnt h ASP 153 Cb 0.57 -0.01 -0.13 0.00 0.22 0.00 0.00 39.33 39.98 1fnt h ASP 153 CO 0.04 1.34 0.42 0.25 -1.72 0.00 0.00 179.24 179.57 1fnt h LEU 154 N -0.93 0.36 0.22 1.55 5.85 -0.75 0.41 115.31 122.02 1fnt h LEU 154 Ca -0.23 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1fnt h LEU 154 Cb 1.24 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 1fnt h LEU 154 CO -0.11 -0.01 -0.40 0.15 -0.34 0.00 0.00 178.44 177.73 1fnt h PHE 155 N 0.40 -1.10 -0.95 1.25 3.57 -1.49 -0.50 116.94 118.13 1fnt h PHE 155 Ca 0.58 0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.23 1fnt h PHE 155 Cb 1.14 0.45 -0.09 0.00 2.79 0.00 0.00 35.95 40.24 1fnt h PHE 155 CO -0.12 -0.52 0.57 0.93 -2.23 0.00 0.00 178.31 176.94 1fnt h GLU 156 N -0.70 0.85 0.16 1.11 4.39 -0.37 0.08 114.58 120.10 1fnt h GLU 156 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1fnt h GLU 156 Cb 0.68 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1fnt h GLU 156 CO -0.17 0.56 -0.08 1.15 -1.16 0.00 0.00 179.01 179.32 1fnt h THR 157 N 0.88 0.00 -0.98 1.13 2.02 -0.76 -2.43 112.91 112.77 1fnt h THR 157 Ca 0.48 -0.06 0.27 0.00 0.77 0.00 0.00 66.41 67.87 1fnt h THR 157 Cb 0.54 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.81 1fnt h THR 157 CO -0.29 0.00 0.54 -0.29 0.37 0.00 0.00 175.52 175.85 1fnt h ILE 158 N -0.27 0.43 -0.02 3.11 2.10 -0.98 0.11 117.51 121.99 1fnt h ILE 158 Ca -0.02 -0.15 0.02 0.00 1.08 0.00 0.00 64.86 65.78 1fnt h ILE 158 Cb 0.16 -0.05 -0.02 0.00 -1.09 0.00 0.00 36.82 35.82 1fnt h ILE 158 CO 0.04 0.08 -0.09 0.28 -1.08 0.00 0.00 178.15 177.38 1fnt h SER 159 N 0.44 -0.26 0.01 2.19 0.02 -0.99 -0.41 113.55 114.56 1fnt h SER 159 Ca 0.66 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.58 1fnt h SER 159 Cb 1.35 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 1fnt h SER 159 CO -0.54 -0.13 -0.19 1.56 -1.14 0.00 0.00 176.83 176.39 1fnt h GLN 160 N -0.14 0.33 0.49 3.45 1.08 -0.33 -0.01 115.11 119.98 1fnt h GLN 160 Ca 0.04 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1fnt h GLN 160 Cb 0.20 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1fnt h GLN 160 CO -0.10 0.52 -0.24 0.00 -0.95 0.00 0.00 178.83 178.06 1fnt h ALA 161 N 1.50 -0.66 0.17 3.87 0.00 -0.68 -0.56 119.26 122.90 1fnt h ALA 161 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1fnt h ALA 161 Cb 0.52 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1fnt h ALA 161 CO 0.03 -0.76 -0.18 1.25 0.00 0.00 0.00 179.25 179.60 1fnt h LEU 162 N -0.88 -0.50 -0.96 0.00 6.46 -1.00 -2.35 115.31 116.08 1fnt h LEU 162 Ca -0.07 0.04 0.19 0.00 -0.12 0.00 0.00 57.88 57.93 1fnt h LEU 162 Cb 0.59 0.17 -0.18 0.00 -0.73 0.00 0.00 40.66 40.50 1fnt h LEU 162 CO 0.11 -0.23 -0.24 -0.11 -0.62 0.00 0.00 178.44 177.34 1fnt n LEU 163 N -3.42 -0.35 0.08 2.25 7.94 -0.03 -1.21 117.00 122.27 1fnt n LEU 163 Ca -0.04 1.65 -0.13 0.00 -1.11 0.00 0.00 56.01 56.38 1fnt n LEU 163 Cb 0.16 -0.50 -0.07 0.00 0.53 0.00 0.00 43.42 43.54 1fnt n LEU 163 CO 0.09 -1.58 0.12 0.78 -1.11 0.00 0.00 177.39 175.68 1fnt h ASN 164 N 0.00 0.42 0.03 1.96 2.35 -1.00 -3.15 115.58 116.18 1fnt h ASN 164 Ca 0.46 -0.38 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1fnt h ASN 164 Cb 0.70 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1fnt h ASN 164 CO -0.99 1.22 -0.24 0.00 -1.65 0.00 0.00 177.43 175.76 1fnt h ALA 165 N 0.74 1.22 0.00 -0.83 0.00 -0.60 -2.63 119.26 117.16 1fnt h ALA 165 Ca -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1fnt h ALA 165 Cb 1.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1fnt h ALA 165 CO 0.17 0.51 -0.04 0.00 0.00 0.00 0.00 179.25 179.89 1fnt h ALA 166 N 1.42 1.46 0.00 0.00 0.00 -1.18 -2.40 119.26 118.55 1fnt h ALA 166 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1fnt h ALA 166 Cb 0.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1fnt h ALA 166 CO 0.04 0.05 -0.41 -0.44 0.00 0.00 0.00 179.25 178.49 1fnt h ASP 167 N 0.00 0.00 -0.02 0.00 3.32 -1.51 -3.18 116.42 115.03 1fnt h ASP 167 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fnt h ASP 167 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1fnt h ASP 167 CO 0.01 0.30 0.00 0.54 -1.72 0.00 0.00 179.24 178.36 1fnt n ARG 168 N -3.13 1.70 -3.96 3.56 5.12 -0.91 -4.67 116.66 114.37 1fnt n ARG 168 Ca 0.02 -1.01 -0.35 0.00 -1.93 0.00 0.00 57.85 54.57 1fnt n ARG 168 Cb 0.66 -1.48 -0.14 0.00 -1.16 0.00 0.00 32.46 30.34 1fnt n ARG 168 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1fnt s ASP 169 N -1.99 4.50 0.39 0.55 2.15 -1.16 -4.99 116.67 116.12 1fnt s ASP 169 Ca 0.37 -0.33 0.18 0.00 0.43 0.00 0.00 52.55 53.20 1fnt s ASP 169 Cb 0.21 -1.78 0.79 0.00 -0.30 0.00 0.00 42.92 41.85 1fnt s ASP 169 CO 0.33 0.00 1.81 0.00 -0.17 0.00 0.00 175.17 177.14 1fnt h ALA 170 N 7.95 1.16 -0.52 3.66 0.00 -1.83 -3.24 119.26 126.44 1fnt h ALA 170 Ca -0.39 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1fnt h ALA 170 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1fnt h ALA 170 CO 0.60 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.57 1fnt n LEU 171 N -3.75 4.30 -3.99 0.00 4.77 -1.26 -4.91 117.00 112.16 1fnt n LEU 171 Ca -0.01 -2.17 -0.12 0.00 -0.03 0.00 0.00 56.01 53.68 1fnt n LEU 171 Cb 0.44 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 1fnt n LEU 171 CO 0.37 0.65 -0.38 -0.44 -1.33 0.00 0.00 177.39 176.26 1fnt s SER 172 N -0.77 0.49 0.00 -1.43 0.01 -1.23 -3.13 113.70 107.65 1fnt s SER 172 Ca 0.43 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1fnt s SER 172 Cb 0.29 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1fnt s SER 172 CO 0.18 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1fnt n GLY 173 N 1.94 -0.07 4.02 3.44 0.00 -1.26 -4.75 105.19 108.50 1fnt n GLY 173 Ca -0.20 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1fnt n GLY 173 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fnt n TRP 174 N 0.00 -1.72 0.00 1.61 7.02 -1.26 -2.03 117.44 121.05 1fnt n TRP 174 Ca 0.00 0.77 0.00 0.00 -1.02 0.00 0.00 57.50 57.25 1fnt n TRP 174 Cb 0.00 -3.57 0.00 0.00 -2.42 0.00 0.00 31.31 25.32 1fnt n TRP 174 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fnt n GLY 175 N -1.81 1.07 3.82 6.99 0.00 -1.26 -4.28 105.19 109.71 1fnt n GLY 175 Ca -0.19 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 1fnt n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fnt s ALA 176 N -2.66 -1.30 -0.12 4.61 0.00 -1.26 -0.89 121.76 120.14 1fnt s ALA 176 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.64 1fnt s ALA 176 Cb 0.00 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.98 1fnt s ALA 176 CO 0.00 -1.02 0.34 0.54 0.00 0.00 0.00 175.76 175.62 1fnt s VAL 177 N -3.82 0.00 -0.03 0.00 0.11 -0.78 -1.97 120.40 113.91 1fnt s VAL 177 Ca 0.10 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.16 1fnt s VAL 177 Cb -0.05 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 1fnt s VAL 177 CO 0.05 -0.01 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.00 1fnt s VAL 178 N 0.11 0.98 0.12 2.04 1.01 0.58 -2.30 120.40 122.93 1fnt s VAL 178 Ca -0.01 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1fnt s VAL 178 Cb -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1fnt s VAL 178 CO 0.01 0.30 -0.05 -0.31 0.00 0.00 0.00 175.10 175.04 1fnt s TYR 179 N 0.15 2.83 -0.24 5.22 1.51 -0.92 -0.93 117.35 124.96 1fnt s TYR 179 Ca -0.03 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1fnt s TYR 179 Cb -0.09 -1.45 0.06 0.00 -0.11 0.00 0.00 41.96 40.37 1fnt s TYR 179 CO 0.01 0.46 -0.03 0.42 -1.11 0.00 0.00 175.55 175.31 1fnt s ILE 180 N -1.36 1.37 -0.41 2.71 -1.09 -0.84 -2.83 121.20 118.74 1fnt s ILE 180 Ca 0.24 -1.17 -0.19 0.00 -2.23 0.00 0.00 60.65 57.30 1fnt s ILE 180 Cb -0.11 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 39.08 1fnt s ILE 180 CO 0.16 -0.17 0.54 -0.63 -1.23 0.00 0.00 174.94 173.62 1fnt s ILE 181 N 1.46 4.96 0.46 2.92 1.09 -0.64 -2.43 121.20 129.01 1fnt s ILE 181 Ca -0.04 0.01 0.08 0.00 -1.10 0.00 0.00 60.65 59.61 1fnt s ILE 181 Cb -0.19 -4.09 0.01 0.00 -1.06 0.00 0.00 42.46 37.13 1fnt s ILE 181 CO -0.08 -0.45 0.51 -0.54 -0.10 0.00 0.00 174.94 174.29 1fnt s LYS 182 N 2.49 2.57 0.17 2.79 1.02 -0.57 -2.45 119.74 125.75 1fnt s LYS 182 Ca 0.18 -1.51 -0.25 0.00 0.02 0.00 0.00 55.97 54.41 1fnt s LYS 182 Cb -0.15 -2.52 0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1fnt s LYS 182 CO 0.16 -0.37 1.57 0.87 -0.92 0.00 0.00 175.35 176.66 1fnt h LYS 183 N 0.73 -0.24 0.00 1.68 1.79 -1.97 -3.40 116.57 115.16 1fnt h LYS 183 Ca -0.39 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1fnt h LYS 183 Cb 1.28 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1fnt h LYS 183 CO 0.51 -0.16 0.00 -0.40 -1.08 0.00 0.00 179.45 178.32 1fnt n ASP 184 N -5.41 0.00 -3.65 0.86 5.75 -1.26 -5.05 116.55 107.80 1fnt n ASP 184 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.46 1fnt n ASP 184 Cb 0.35 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.45 1fnt n ASP 184 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1fnt n GLU 185 N 0.00 0.00 -3.79 0.11 0.28 -1.26 -5.04 120.64 110.94 1fnt n GLU 185 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 1fnt n GLU 185 Cb 0.00 -0.87 -0.15 0.00 1.43 0.00 0.00 31.44 31.85 1fnt n GLU 185 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1fnt s VAL 186 N -1.74 -0.04 -0.18 3.84 1.01 -1.26 -1.51 120.40 120.52 1fnt s VAL 186 Ca 0.46 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1fnt s VAL 186 Cb -0.38 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1fnt s VAL 186 CO 0.60 0.07 -0.17 -0.69 0.00 0.00 0.00 175.10 174.91 1fnt s VAL 187 N 0.84 2.39 -0.16 2.92 1.01 -1.02 -4.94 120.40 121.44 1fnt s VAL 187 Ca -0.07 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1fnt s VAL 187 Cb -0.10 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1fnt s VAL 187 CO -0.03 0.52 0.21 -0.75 0.00 0.00 0.00 175.10 175.05 1fnt s LYS 188 N 1.21 4.10 -0.01 2.72 2.20 -1.26 -1.99 119.74 126.71 1fnt s LYS 188 Ca 0.02 -0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 1fnt s LYS 188 Cb -0.14 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1fnt s LYS 188 CO -0.08 0.36 -0.05 1.03 -0.36 0.00 0.00 175.35 176.25 1fnt s ARG 189 N 0.14 0.46 -0.02 4.03 0.52 -0.11 -4.99 118.95 118.98 1fnt s ARG 189 Ca 0.13 -0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1fnt s ARG 189 Cb -0.12 -0.46 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 1fnt s ARG 189 CO 0.02 0.07 0.01 0.71 0.02 0.00 0.00 175.30 176.13 1fnt s TYR 190 N 0.08 3.11 0.32 -0.53 1.51 -1.26 -0.31 117.35 120.27 1fnt s TYR 190 Ca -0.00 0.12 0.10 0.00 -1.01 0.00 0.00 57.07 56.27 1fnt s TYR 190 Cb -0.04 -1.70 -0.06 0.00 -0.11 0.00 0.00 41.96 40.05 1fnt s TYR 190 CO -0.00 0.47 -0.07 -0.48 -1.11 0.00 0.00 175.55 174.36 1fnt s LEU 191 N -1.41 2.84 -0.06 -1.29 2.34 -0.83 -4.99 118.68 115.28 1fnt s LEU 191 Ca 0.18 -1.02 -0.19 0.00 0.06 0.00 0.00 54.13 53.16 1fnt s LEU 191 Cb -0.11 -1.23 -0.05 0.00 -0.56 0.00 0.00 46.19 44.24 1fnt s LEU 191 CO 0.09 -0.14 0.52 -0.75 -1.06 0.00 0.00 176.35 175.01 1fnt s LYS 192 N -3.63 4.29 0.32 1.48 2.20 -1.26 -4.18 119.74 118.95 1fnt s LYS 192 Ca 0.33 0.57 -0.05 0.00 -0.36 0.00 0.00 55.97 56.46 1fnt s LYS 192 Cb -0.01 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1fnt s LYS 192 CO 0.18 0.29 0.47 0.00 -0.36 0.00 0.00 175.35 175.93 1fnt s MET 193 N 0.13 1.82 0.42 4.03 0.23 -1.26 -5.06 119.30 119.61 1fnt s MET 193 Ca 0.28 -1.64 -0.26 0.00 -1.03 0.00 0.00 55.69 53.04 1fnt s MET 193 Cb -0.17 0.45 -0.09 0.00 -1.53 0.00 0.00 34.83 33.49 1fnt s MET 193 CO 0.14 -0.75 1.45 1.03 -2.03 0.00 0.00 175.02 174.85 1fnt s ARG 194 N -3.27 3.87 -0.60 3.16 0.52 -1.26 -4.87 118.95 116.52 1fnt s ARG 194 Ca 0.29 2.47 0.02 0.00 -0.52 0.00 0.00 55.73 57.99 1fnt s ARG 194 Cb -0.00 -2.79 0.40 0.00 0.52 0.00 0.00 34.95 33.08 1fnt s ARG 194 CO 0.17 -0.69 1.52 1.04 0.02 0.00 0.00 175.30 177.37 1fnt n GLN 195 N 0.09 3.14 0.00 3.54 1.13 -1.26 -4.17 117.38 119.86 1fnt n GLN 195 Ca 0.03 -4.03 0.00 0.00 -1.94 0.00 0.00 57.00 51.06 1fnt n GLN 195 Cb 0.41 -2.26 0.00 0.00 0.11 0.00 0.00 30.24 28.49 1fnt n GLN 195 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22