#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 4.46 -0.08 6.43 2.15 -1.26 -5.03 116.67 123.34 1fnt s ASP -7 Ca 0.00 -0.20 -0.20 0.00 0.43 0.00 0.00 52.55 52.58 1fnt s ASP -7 Cb 0.00 -1.64 -0.16 0.00 -0.30 0.00 0.00 42.92 40.82 1fnt s ASP -7 CO 0.00 0.19 0.74 -0.65 -0.17 0.00 0.00 175.17 175.28 1fnt h PRO -6 N 6.54 -0.12 -0.93 4.34 0.11 -2.02 -3.36 132.00 136.57 1fnt h PRO -6 Ca -0.31 0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.08 1fnt h PRO -6 Cb 1.20 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 1fnt h PRO -6 CO 0.59 0.39 0.33 0.77 -0.21 0.00 0.00 178.00 179.86 1fnt h SER -5 N -0.90 0.12 0.00 -2.05 0.02 -1.93 0.20 113.55 109.01 1fnt h SER -5 Ca -0.01 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1fnt h SER -5 Cb 0.56 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1fnt h SER -5 CO 0.02 -0.18 0.00 -1.54 -1.14 0.00 0.00 176.83 173.99 1fnt n SER -4 N -5.20 0.00 -0.01 3.07 3.41 -1.26 -4.00 113.62 109.64 1fnt n SER -4 Ca 0.25 -1.58 -0.20 0.00 -0.26 0.00 0.00 58.87 57.08 1fnt n SER -4 Cb 0.80 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.62 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 1.23 0.08 -1.33 2.04 -0.74 -3.41 117.51 115.38 1fnt h ILE -3 Ca 0.00 -2.40 -0.31 0.00 1.00 0.00 0.00 64.86 63.15 1fnt h ILE -3 Cb 0.00 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1fnt h ILE -3 CO 0.00 0.65 -1.69 0.78 0.00 0.00 0.00 178.15 177.88 1fnt h ASN -2 N -0.49 0.26 -5.00 1.72 -0.26 -1.72 -1.25 115.58 108.83 1fnt h ASN -2 Ca -0.23 -0.46 0.00 0.00 -0.56 0.00 0.00 56.30 55.05 1fnt h ASN -2 Cb 1.58 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.75 1fnt h ASN -2 CO 0.04 1.40 0.00 0.61 -1.06 0.00 0.00 177.43 178.42 1fnt n GLY -1 N 1.71 -1.95 0.00 2.83 0.00 -1.26 -2.89 105.19 103.63 1fnt n GLY -1 Ca -0.20 -2.09 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 -0.01 1.36 3.25 -0.02 0.00 -1.18 -4.39 105.19 104.18 1fnt n GLY 1 Ca 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.36 0.11 -0.18 -0.61 -4.36 -1.26 -1.94 121.20 110.59 1fnt s ILE 2 Ca 0.00 -1.44 -0.15 0.00 -0.26 0.00 0.00 60.65 58.80 1fnt s ILE 2 Cb 0.00 -1.69 0.05 0.00 1.25 0.00 0.00 42.46 42.07 1fnt s ILE 2 CO 0.00 -0.49 0.48 -0.69 0.24 0.00 0.00 174.94 174.47 1fnt s VAL 3 N -3.94 -0.00 -0.01 8.37 1.01 -0.87 -3.04 120.40 121.91 1fnt s VAL 3 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1fnt s VAL 3 Cb 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1fnt s VAL 3 CO -0.04 0.01 0.11 0.54 0.00 0.00 0.00 175.10 175.72 1fnt s VAL 4 N 0.51 0.06 0.02 2.92 0.11 -0.06 -2.11 120.40 121.85 1fnt s VAL 4 Ca -0.02 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1fnt s VAL 4 Cb -0.04 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1fnt s VAL 4 CO -0.02 -0.28 -0.03 0.00 -3.33 0.00 0.00 175.10 171.43 1fnt s ALA 5 N -0.94 0.19 0.04 1.54 0.00 -0.50 -0.71 121.76 121.38 1fnt s ALA 5 Ca -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 1fnt s ALA 5 Cb -0.06 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1fnt s ALA 5 CO 0.01 -0.16 0.06 -1.64 0.00 0.00 0.00 175.76 174.03 1fnt s MET 6 N -1.65 0.59 -0.19 0.00 -1.94 -0.21 -1.37 119.30 114.53 1fnt s MET 6 Ca -0.14 -0.86 -0.05 0.00 -1.71 0.00 0.00 55.69 52.94 1fnt s MET 6 Cb -0.09 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.95 1fnt s MET 6 CO -0.01 -0.14 -0.01 0.95 -0.01 0.00 0.00 175.02 175.80 1fnt s THR 7 N -2.89 3.89 0.50 2.05 -4.23 -0.98 -1.13 115.64 112.86 1fnt s THR 7 Ca -0.03 -0.34 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1fnt s THR 7 Cb 0.00 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 71.12 1fnt s THR 7 CO -0.06 0.44 0.44 -0.83 -0.54 0.00 0.00 174.62 174.07 1fnt s GLY 8 N 0.94 2.21 -0.39 3.99 0.00 0.93 -4.41 107.32 110.59 1fnt s GLY 8 Ca 0.01 -1.63 -0.28 0.00 0.00 0.00 0.00 44.72 42.82 1fnt s GLY 8 CO 0.02 -1.82 1.95 1.25 0.00 0.00 0.00 173.10 174.49 1fnt s LYS 9 N -4.27 3.02 -0.73 2.90 2.20 -0.92 -2.73 119.74 119.21 1fnt s LYS 9 Ca 0.43 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1fnt s LYS 9 Cb -0.03 -4.31 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 1fnt s LYS 9 CO 0.26 -2.24 0.00 -0.25 -0.36 0.00 0.00 175.35 172.76 1fnt n ASP 10 N 11.66 -3.79 -3.37 1.43 9.92 -1.26 -4.76 116.55 126.38 1fnt n ASP 10 Ca 0.25 0.16 -0.03 0.00 -0.53 0.00 0.00 54.79 54.65 1fnt n ASP 10 Cb 0.48 -1.96 0.02 0.00 -0.64 0.00 0.00 41.12 39.03 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 -2.11 0.00 -0.04 0.00 -7.23 -1.03 -0.05 120.40 109.94 1fnt s VAL 12 Ca 0.23 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.31 1fnt s VAL 12 Cb -0.03 -2.51 0.05 0.00 0.56 0.00 0.00 36.38 34.45 1fnt s VAL 12 CO 0.05 0.00 0.50 0.00 -0.31 0.00 0.00 175.10 175.35 1fnt s ALA 13 N -3.59 -1.30 -0.23 1.32 0.00 -0.28 -1.57 121.76 116.11 1fnt s ALA 13 Ca 0.36 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 1fnt s ALA 13 Cb 0.03 -0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.22 1fnt s ALA 13 CO 0.20 -0.31 0.56 -1.50 0.00 0.00 0.00 175.76 174.71 1fnt s ILE 14 N -1.19 -0.08 0.10 0.00 2.07 -1.13 -1.04 121.20 119.92 1fnt s ILE 14 Ca -0.12 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1fnt s ILE 14 Cb -0.03 -0.83 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 1fnt s ILE 14 CO 0.07 0.02 -0.03 0.00 -1.91 0.00 0.00 174.94 173.09 1fnt s ALA 15 N 1.64 0.87 0.21 1.50 0.00 0.11 -2.28 121.76 123.81 1fnt s ALA 15 Ca -0.09 -1.35 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 1fnt s ALA 15 Cb -0.07 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1fnt s ALA 15 CO -0.17 -0.31 0.42 0.00 0.00 0.00 0.00 175.76 175.70 1fnt n ASP 17 N -0.32 0.00 0.00 0.00 5.75 -1.17 -1.72 116.55 119.09 1fnt n ASP 17 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1fnt n ASP 17 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 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 -4.75 -2.12 4.77 0.03 -4.62 117.00 110.31 1fnt n LEU 18 Ca 0.00 -0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.56 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 1.03 -1.14 -1.33 0.00 0.00 177.39 175.95 1fnt n ARG 19 N -0.32 1.91 -3.68 3.23 0.63 -0.77 -3.14 116.66 114.52 1fnt n ARG 19 Ca 0.00 0.69 -0.10 0.00 -0.92 0.00 0.00 57.85 57.52 1fnt n ARG 19 Cb 0.00 -2.61 -0.11 0.00 0.45 0.00 0.00 32.46 30.19 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 -3.23 -0.27 -0.19 6.15 1.98 -0.77 -4.45 118.68 117.90 1fnt s LEU 20 Ca 0.68 0.84 -0.29 0.00 -2.89 0.00 0.00 54.13 52.47 1fnt s LEU 20 Cb -0.43 1.18 0.13 0.00 0.66 0.00 0.00 46.19 47.73 1fnt s LEU 20 CO 0.52 -0.21 1.05 -0.83 -1.89 0.00 0.00 176.35 174.99 1fnt s GLY 21 N 1.98 -0.20 -0.29 7.98 0.00 -1.14 -0.20 107.32 115.45 1fnt s GLY 21 Ca -0.05 2.23 -0.29 0.00 0.00 0.00 0.00 44.72 46.61 1fnt s GLY 21 CO -0.12 1.17 1.30 -1.35 0.00 0.00 0.00 173.10 174.10 1fnt s SER 22 N -0.89 6.69 0.00 1.64 1.04 -1.09 -4.14 113.70 116.95 1fnt s SER 22 Ca 0.00 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1fnt s SER 22 Cb -0.01 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1fnt s SER 22 CO -0.01 -1.06 0.00 0.00 0.98 0.00 0.00 173.24 173.15 1fnt n GLN 23 N 7.27 0.00 -0.02 4.02 0.00 -0.47 -2.33 117.38 125.85 1fnt n GLN 23 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 57.00 57.05 1fnt n GLN 23 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.67 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 -0.90 -2.28 2.61 4.64 -1.90 -3.41 113.55 112.30 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 0.39 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1fnt h SER 24 CO 0.00 -0.32 1.36 -0.22 -0.87 0.00 0.00 176.83 176.78 1fnt s LEU 25 N -10.45 3.67 0.13 5.97 2.96 -0.98 -4.97 118.68 115.00 1fnt s LEU 25 Ca -0.15 1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 55.32 1fnt s LEU 25 Cb 0.11 -3.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.21 1fnt s LEU 25 CO 0.67 -1.68 1.15 -0.83 -1.32 0.00 0.00 176.35 174.33 1fnt s GLY 26 N 6.74 2.67 -0.13 7.98 0.00 -1.26 -2.65 107.32 120.67 1fnt s GLY 26 Ca 0.91 0.84 -0.08 0.00 0.00 0.00 0.00 44.72 46.38 1fnt s GLY 26 CO 0.35 1.82 -0.20 -0.62 0.00 0.00 0.00 173.10 174.45 1fnt n VAL 27 N 2.99 1.00 -4.32 1.40 0.31 0.72 -4.94 118.33 115.49 1fnt n VAL 27 Ca 0.05 -0.09 -0.19 0.00 -0.01 0.00 0.00 64.34 64.10 1fnt n VAL 27 Cb 0.46 -1.79 -0.10 0.00 -0.91 0.00 0.00 33.84 31.49 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 -6.28 2.49 -0.28 4.52 0.15 0.65 -4.98 113.70 109.95 1fnt s SER 28 Ca -0.20 -0.95 0.21 0.00 0.70 0.00 0.00 55.95 55.71 1fnt s SER 28 Cb 0.07 -0.13 0.49 0.00 -1.71 0.00 0.00 66.02 64.74 1fnt s SER 28 CO 0.27 -0.14 1.09 -0.46 1.20 0.00 0.00 173.24 175.20 1fnt n ASN 29 N -0.06 1.35 -0.73 5.45 2.04 -1.26 -1.84 115.26 120.21 1fnt n ASN 29 Ca -0.11 -2.22 -0.03 0.00 -0.44 0.00 0.00 54.58 51.79 1fnt n ASN 29 Cb 0.59 -0.42 -0.03 0.00 -2.53 0.00 0.00 39.78 37.40 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 -0.50 0.00 -3.52 -3.83 5.02 -1.25 -4.95 118.16 109.12 1fnt n LYS 30 Ca 0.06 -0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 55.44 1fnt n LYS 30 Cb 0.81 0.17 -0.10 0.00 -0.02 0.00 0.00 35.03 35.88 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 -0.18 2.13 5.36 -1.19 -5.07 117.98 122.27 1fnt s PHE 31 Ca 0.01 -0.48 -0.11 0.00 -0.96 0.00 0.00 56.93 55.39 1fnt s PHE 31 Cb 0.01 -2.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.14 1fnt s PHE 31 CO -0.01 -0.49 0.17 -1.21 -1.46 0.00 0.00 175.22 172.22 1fnt s GLU 32 N 1.68 4.15 -0.01 10.12 2.02 -1.26 -4.49 118.70 130.91 1fnt s GLU 32 Ca 0.05 -0.14 0.17 0.00 0.02 0.00 0.00 54.97 55.07 1fnt s GLU 32 Cb -0.18 -3.40 0.49 0.00 0.10 0.00 0.00 34.13 31.13 1fnt s GLU 32 CO 0.09 0.32 1.40 1.63 0.02 0.00 0.00 175.26 178.73 1fnt n LYS 33 N 3.41 2.34 -4.55 1.61 4.01 -1.26 -4.87 118.16 118.86 1fnt n LYS 33 Ca -0.15 -1.99 -0.26 0.00 -0.51 0.00 0.00 58.31 55.40 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 -1.31 1.21 0.00 -0.18 1.01 -1.26 -1.89 121.20 118.78 1fnt s ILE 34 Ca 0.37 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1fnt s ILE 34 Cb 0.20 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.55 1fnt s ILE 34 CO 0.24 0.38 0.00 0.49 0.00 0.00 0.00 174.94 176.05 1fnt n PHE 35 N 3.94 -0.07 -3.60 3.97 3.72 -1.04 -5.01 117.46 119.36 1fnt n PHE 35 Ca -0.21 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.09 1fnt n PHE 35 Cb 0.52 0.00 -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 -2.44 -0.37 -0.52 1.38 -3.43 -1.26 -1.95 115.29 106.70 1fnt s HIS 36 Ca 0.00 0.08 0.04 0.00 -0.80 0.00 0.00 55.06 54.37 1fnt s HIS 36 Cb 0.00 0.61 0.15 0.00 -1.43 0.00 0.00 32.58 31.92 1fnt s HIS 36 CO 0.00 -0.93 0.34 0.71 -2.00 0.00 0.00 174.74 172.86 1fnt s TYR 37 N -3.69 2.38 0.00 0.38 2.02 -0.33 -4.96 117.35 113.16 1fnt s TYR 37 Ca 0.06 -2.75 0.00 0.00 -0.37 0.00 0.00 57.07 54.01 1fnt s TYR 37 Cb -0.03 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 1fnt s TYR 37 CO -0.05 -0.71 0.00 0.41 -1.57 0.00 0.00 175.55 173.63 1fnt n GLY 38 N 2.86 2.20 1.23 0.71 0.00 -1.26 -2.97 105.19 107.96 1fnt n GLY 38 Ca 0.16 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 12.18 1.04 -4.41 1.61 1.44 -1.26 -4.92 115.22 120.91 1fnt n HIS 39 Ca 0.00 -0.44 -0.35 0.00 -2.01 0.00 0.00 57.72 54.92 1fnt n HIS 39 Cb 0.00 -0.13 -0.10 0.00 0.12 0.00 0.00 29.99 29.88 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 -1.58 4.22 -0.04 0.61 1.01 -1.16 -4.50 120.40 118.96 1fnt s VAL 40 Ca 0.40 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1fnt s VAL 40 Cb 0.24 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1fnt s VAL 40 CO 0.22 0.60 -0.18 -0.36 0.00 0.00 0.00 175.10 175.38 1fnt s PHE 41 N -0.80 2.59 -0.04 5.22 0.40 -0.97 -1.19 117.98 123.19 1fnt s PHE 41 Ca 0.12 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1fnt s PHE 41 Cb -0.11 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.85 1fnt s PHE 41 CO 0.02 0.12 -0.02 -1.17 0.70 0.00 0.00 175.22 174.87 1fnt s LEU 42 N -0.69 1.17 -0.10 -0.37 2.96 -0.82 -1.59 118.68 119.24 1fnt s LEU 42 Ca 0.11 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1fnt s LEU 42 Cb -0.10 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 1fnt s LEU 42 CO 0.00 -0.09 -0.14 -0.83 -1.32 0.00 0.00 176.35 173.97 1fnt s GLY 43 N 1.09 1.53 -0.05 7.98 0.00 0.18 -2.49 107.32 115.56 1fnt s GLY 43 Ca -0.09 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1fnt s GLY 43 CO -0.01 -0.37 -0.06 -0.42 0.00 0.00 0.00 173.10 172.24 1fnt s ILE 44 N 0.02 0.68 0.50 0.90 1.01 -0.79 -0.56 121.20 122.96 1fnt s ILE 44 Ca -0.04 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.47 1fnt s ILE 44 Cb -0.14 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.65 1fnt s ILE 44 CO 0.04 0.26 0.31 0.42 0.00 0.00 0.00 174.94 175.98 1fnt s THR 45 N 0.95 1.81 0.00 2.92 -4.23 -0.84 -4.82 115.64 111.43 1fnt s THR 45 Ca -0.10 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1fnt s THR 45 Cb -0.14 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.31 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 -1.59 -0.13 3.63 3.99 0.00 -1.26 -0.72 105.19 109.11 1fnt n GLY 46 Ca -0.03 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 3.85 0.10 0.99 2.96 -0.10 -4.63 118.68 121.86 1fnt s LEU 47 Ca 0.00 1.78 -0.20 0.00 -0.22 0.00 0.00 54.13 55.49 1fnt s LEU 47 Cb 0.00 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1fnt s LEU 47 CO 0.00 -1.39 1.10 0.00 -1.32 0.00 0.00 176.35 174.73 1fnt n ALA 48 N 9.05 -0.41 -0.05 5.97 0.00 -1.26 -1.07 120.51 132.74 1fnt n ALA 48 Ca 0.21 0.55 -0.09 0.00 0.00 0.00 0.00 53.44 54.11 1fnt n ALA 48 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.88 0.00 1.03 -2.00 -1.80 112.91 110.22 1fnt h THR 49 Ca 0.10 -0.06 0.14 0.00 -0.01 0.00 0.00 66.41 66.58 1fnt h THR 49 Cb 0.26 0.76 -0.07 0.00 -1.07 0.00 0.00 68.15 68.03 1fnt h THR 49 CO -0.60 0.03 0.57 0.44 -0.01 0.00 0.00 175.52 175.95 1fnt h ASP 50 N 0.18 0.66 0.71 0.00 5.19 -1.58 0.18 116.42 121.76 1fnt h ASP 50 Ca 0.09 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1fnt h ASP 50 Cb 0.05 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.48 1fnt h ASP 50 CO -0.09 0.34 -0.34 0.58 -3.12 0.00 0.00 179.24 176.61 1fnt h VAL 51 N 0.70 0.00 -0.58 -1.35 2.07 -0.54 -1.56 116.25 114.99 1fnt h VAL 51 Ca 0.44 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 68.05 1fnt h VAL 51 Cb 0.68 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.34 1fnt h VAL 51 CO -0.20 0.00 -0.25 0.74 0.02 0.00 0.00 177.57 177.88 1fnt h THR 52 N -0.97 0.27 -0.73 2.57 2.02 -0.39 0.28 112.91 115.95 1fnt h THR 52 Ca -0.10 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.19 1fnt h THR 52 Cb 0.73 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 1fnt h THR 52 CO 0.16 0.00 0.34 0.74 0.37 0.00 0.00 175.52 177.13 1fnt h THR 53 N -0.11 0.78 -0.09 3.16 2.02 -0.71 -1.72 112.91 116.25 1fnt h THR 53 Ca 0.26 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1fnt h THR 53 Cb 0.51 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1fnt h THR 53 CO -0.64 0.10 0.04 -0.07 0.37 0.00 0.00 175.52 175.32 1fnt h LEU 54 N 0.56 0.11 -0.36 2.58 -0.00 0.58 0.05 115.31 118.82 1fnt h LEU 54 Ca 0.38 -0.11 0.08 0.00 -0.00 0.00 0.00 57.88 58.23 1fnt h LEU 54 Cb 0.46 -0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 41.01 1fnt h LEU 54 CO -0.31 0.19 -0.22 -1.13 -0.00 0.00 0.00 178.44 176.97 1fnt h ASN 55 N 0.03 -0.72 -0.27 -0.43 -1.24 -0.43 0.20 115.58 112.73 1fnt h ASN 55 Ca 0.03 0.15 0.05 0.00 0.71 0.00 0.00 56.30 57.25 1fnt h ASN 55 Cb 0.10 0.37 -0.05 0.00 0.73 0.00 0.00 38.32 39.47 1fnt h ASN 55 CO -0.00 -0.25 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.50 1fnt h GLU 56 N -0.16 0.01 -0.94 6.67 4.39 -1.18 0.16 114.58 123.53 1fnt h GLU 56 Ca 0.18 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.92 1fnt h GLU 56 Cb 0.44 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 1fnt h GLU 56 CO -0.46 0.00 0.61 1.98 -1.16 0.00 0.00 179.01 179.99 1fnt h MET 57 N 0.01 1.13 0.03 2.33 4.05 0.21 -1.61 114.93 121.09 1fnt h MET 57 Ca 0.13 -0.07 -0.20 0.00 -0.28 0.00 0.00 59.70 59.28 1fnt h MET 57 Cb 0.20 -0.26 0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1fnt h MET 57 CO -0.27 0.75 -0.82 0.74 0.23 0.00 0.00 176.91 177.54 1fnt h PHE 58 N 1.17 0.76 -0.67 1.39 0.04 0.36 -2.54 116.94 117.45 1fnt h PHE 58 Ca 0.38 -0.44 0.10 0.00 2.80 0.00 0.00 57.97 60.81 1fnt h PHE 58 Cb 0.03 -0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.03 1fnt h PHE 58 CO -0.00 1.27 0.28 -0.09 -0.60 0.00 0.00 178.31 179.17 1fnt h ARG 59 N 0.03 0.46 0.09 1.51 2.43 -0.62 -0.65 114.38 117.63 1fnt h ARG 59 Ca -0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1fnt h ARG 59 Cb 1.53 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 1fnt h ARG 59 CO 0.16 0.30 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.79 1fnt h TYR 60 N 0.47 -0.61 -0.96 2.20 5.03 -1.30 -2.09 116.97 119.71 1fnt h TYR 60 Ca 0.34 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.71 1fnt h TYR 60 Cb 0.42 0.25 -0.06 0.00 1.55 0.00 0.00 36.73 38.89 1fnt h TYR 60 CO -0.15 -0.25 0.62 0.87 -1.32 0.00 0.00 178.16 177.93 1fnt h LYS 61 N -0.33 1.13 -0.29 1.82 1.57 -1.00 -2.36 116.57 117.11 1fnt h LYS 61 Ca -0.01 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1fnt h LYS 61 Cb 0.32 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1fnt h LYS 61 CO -0.09 0.75 -0.11 1.79 -0.57 0.00 0.00 179.45 181.21 1fnt h THR 62 N 1.16 1.22 -0.07 -0.16 1.35 -1.06 -0.43 112.91 114.93 1fnt h THR 62 Ca 0.40 -0.98 -0.01 0.00 -0.55 0.00 0.00 66.41 65.28 1fnt h THR 62 Cb 0.09 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1fnt h THR 62 CO -0.15 0.32 0.03 0.78 -0.25 0.00 0.00 175.52 176.25 1fnt h ASN 63 N 0.45 0.10 0.29 5.36 2.35 -0.87 -1.36 115.58 121.91 1fnt h ASN 63 Ca 0.09 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1fnt h ASN 63 Cb 0.47 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1fnt h ASN 63 CO 0.03 0.26 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.88 1fnt h LEU 64 N -0.06 0.00 0.10 1.61 3.38 -1.09 -2.51 115.31 116.74 1fnt h LEU 64 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1fnt h LEU 64 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1fnt h LEU 64 CO -0.00 0.12 -0.05 0.22 0.09 0.00 0.00 178.44 178.82 1fnt h TYR 65 N 0.00 -0.13 -0.72 1.13 5.03 -0.83 -3.23 116.97 118.22 1fnt h TYR 65 Ca -0.00 -0.00 0.21 0.00 2.58 0.00 0.00 58.73 61.51 1fnt h TYR 65 Cb 0.29 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 1fnt h TYR 65 CO 0.00 -0.08 0.89 -0.22 -1.32 0.00 0.00 178.16 177.43 1fnt h LYS 66 N -0.48 0.00 0.05 1.82 3.11 -1.23 -1.16 116.57 118.69 1fnt h LYS 66 Ca -0.01 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1fnt h LYS 66 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 1fnt h LYS 66 CO 0.02 0.00 -0.02 -0.07 -2.81 0.00 0.00 179.45 176.57 1fnt h LEU 67 N 0.00 -0.06 -0.27 5.20 4.07 -1.53 -0.62 115.31 122.10 1fnt h LEU 67 Ca 0.34 -0.59 -0.05 0.00 0.08 0.00 0.00 57.88 57.66 1fnt h LEU 67 Cb 2.11 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.86 1fnt h LEU 67 CO -0.00 0.66 -0.23 0.11 -1.08 0.00 0.00 178.44 177.90 1fnt h LYS 68 N -0.88 0.00 -0.21 1.13 1.57 -1.36 -3.28 116.57 113.54 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 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1fnt h LYS 68 CO 0.01 0.23 0.00 0.39 -0.57 0.00 0.00 179.45 179.51 1fnt n GLU 69 N -3.19 2.00 -3.41 3.15 1.02 -0.52 -4.99 120.64 114.70 1fnt n GLU 69 Ca 0.02 -1.89 -0.21 0.00 -0.02 0.00 0.00 57.16 55.06 1fnt n GLU 69 Cb 0.58 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 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 1.11 -2.46 -3.61 3.49 4.71 -0.27 -4.90 120.64 118.71 1fnt n GLU 70 Ca 0.14 0.24 -0.13 0.00 -0.01 0.00 0.00 57.16 57.39 1fnt n GLU 70 Cb 0.50 -4.84 -0.07 0.00 -1.01 0.00 0.00 31.44 26.02 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 -6.03 0.78 0.56 3.49 1.70 -1.02 -5.04 118.95 113.41 1fnt s ARG 71 Ca 0.39 0.73 -0.19 0.00 -0.47 0.00 0.00 55.73 56.18 1fnt s ARG 71 Cb -0.22 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1fnt s ARG 71 CO 0.48 -0.14 1.16 0.00 -1.08 0.00 0.00 175.30 175.73 1fnt s ALA 72 N -0.02 2.63 0.37 7.88 0.00 -1.26 -3.81 121.76 127.56 1fnt s ALA 72 Ca -0.01 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 1fnt s ALA 72 Cb -0.04 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 1fnt s ALA 72 CO 0.01 -0.93 1.40 1.51 0.00 0.00 0.00 175.76 177.75 1fnt n ILE 73 N -1.41 2.08 -3.56 0.00 0.13 -1.26 -4.97 119.36 110.37 1fnt n ILE 73 Ca 0.12 -0.50 -0.29 0.00 -1.10 0.00 0.00 62.75 60.99 1fnt n ILE 73 Cb 0.50 -1.80 -0.03 0.00 -0.84 0.00 0.00 39.64 37.47 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 -2.05 3.59 0.00 9.51 0.41 -1.26 -4.79 118.70 124.10 1fnt s GLU 74 Ca 0.55 -0.16 -0.01 0.00 -0.41 0.00 0.00 54.97 54.94 1fnt s GLU 74 Cb -0.51 -2.77 -0.01 0.00 -1.78 0.00 0.00 34.13 29.07 1fnt s GLU 74 CO 0.63 0.34 1.02 -1.35 -0.49 0.00 0.00 175.26 175.41 1fnt h PRO 75 N 2.04 -0.03 -0.96 0.39 0.11 -1.94 0.17 132.00 131.79 1fnt h PRO 75 Ca -0.47 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.87 1fnt h PRO 75 Cb 1.19 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 1fnt h PRO 75 CO 0.68 -0.02 0.51 0.93 -0.21 0.00 0.00 178.00 179.89 1fnt h GLU 76 N -0.03 0.48 0.51 1.05 3.07 -1.99 0.91 114.58 118.58 1fnt h GLU 76 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1fnt h GLU 76 Cb 0.03 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1fnt h GLU 76 CO -0.01 0.32 -0.24 1.15 -1.40 0.00 0.00 179.01 178.82 1fnt h THR 77 N 0.50 0.47 -0.70 1.13 2.02 -1.91 -2.73 112.91 111.70 1fnt h THR 77 Ca 0.61 -0.20 0.15 0.00 0.77 0.00 0.00 66.41 67.74 1fnt h THR 77 Cb 1.16 0.56 -0.12 0.00 -1.74 0.00 0.00 68.15 68.01 1fnt h THR 77 CO -0.50 0.03 0.00 0.15 0.37 0.00 0.00 175.52 175.57 1fnt h PHE 78 N -0.81 -0.05 0.01 3.16 3.57 0.17 -1.61 116.94 121.38 1fnt h PHE 78 Ca -0.07 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1fnt h PHE 78 Cb 0.58 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1fnt h PHE 78 CO -0.01 -0.21 -0.31 1.15 -2.23 0.00 0.00 178.31 176.70 1fnt h THR 79 N 0.11 0.00 -1.14 4.41 2.02 -1.01 0.41 112.91 117.71 1fnt h THR 79 Ca 0.37 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.87 1fnt h THR 79 Cb 0.63 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 1fnt h THR 79 CO -0.61 0.00 0.79 1.56 0.37 0.00 0.00 175.52 177.64 1fnt h GLN 80 N -0.40 0.11 0.00 6.66 1.08 -1.01 0.37 115.11 121.93 1fnt h GLN 80 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1fnt h GLN 80 Cb 0.42 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1fnt h GLN 80 CO -0.20 0.07 0.00 -0.11 -0.95 0.00 0.00 178.83 177.64 1fnt n LEU 81 N -4.32 0.01 -0.36 1.46 7.94 -0.16 -2.29 117.00 119.28 1fnt n LEU 81 Ca 0.26 0.63 0.37 0.00 -1.11 0.00 0.00 56.01 56.15 1fnt n LEU 81 Cb 1.14 -0.50 0.64 0.00 0.53 0.00 0.00 43.42 45.23 1fnt n LEU 81 CO 0.36 -0.50 1.34 1.62 -1.11 0.00 0.00 177.39 179.10 1fnt h VAL 82 N 0.00 0.10 0.48 1.96 3.04 0.26 0.27 116.25 122.35 1fnt h VAL 82 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1fnt h VAL 82 Cb 0.00 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.41 1fnt h VAL 82 CO 0.00 0.00 -0.23 -1.28 -1.01 0.00 0.00 177.57 175.05 1fnt h SER 83 N 0.00 -0.54 -0.58 3.17 0.87 -0.94 -2.20 113.55 113.33 1fnt h SER 83 Ca 0.62 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 61.30 1fnt h SER 83 Cb 2.93 0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 64.95 1fnt h SER 83 CO -0.01 -0.36 0.13 0.77 -0.53 0.00 0.00 176.83 176.84 1fnt h SER 84 N -0.70 0.02 -0.80 6.23 4.64 -0.11 -2.34 113.55 120.48 1fnt h SER 84 Ca -0.07 0.10 0.16 0.00 -0.47 0.00 0.00 61.79 61.52 1fnt h SER 84 Cb 0.49 0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 62.62 1fnt h SER 84 CO 0.11 0.02 0.34 0.28 -0.87 0.00 0.00 176.83 176.71 1fnt h SER 85 N 0.27 0.33 -0.42 4.97 0.02 -1.10 0.10 113.55 117.70 1fnt h SER 85 Ca 0.30 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1fnt h SER 85 Cb 0.43 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1fnt h SER 85 CO -0.38 0.10 0.10 -0.07 -1.14 0.00 0.00 176.83 175.44 1fnt h LEU 86 N 0.46 0.71 -0.04 5.07 3.38 -0.85 -3.18 115.31 120.85 1fnt h LEU 86 Ca 0.46 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 58.14 1fnt h LEU 86 Cb 0.73 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1fnt h LEU 86 CO -0.43 0.71 -0.60 0.22 0.09 0.00 0.00 178.44 178.44 1fnt h TYR 87 N 0.73 0.69 -1.75 1.13 3.20 -0.65 -3.19 116.97 117.14 1fnt h TYR 87 Ca 0.16 -0.34 0.54 0.00 3.14 0.00 0.00 58.73 62.22 1fnt h TYR 87 Cb 0.30 -0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.38 1fnt h TYR 87 CO 0.02 1.15 1.22 0.93 -1.64 0.00 0.00 178.16 179.83 1fnt h GLU 88 N 0.04 0.00 -2.19 1.82 5.08 -1.08 1.02 114.58 119.26 1fnt h GLU 88 Ca -0.06 -0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.60 1fnt h GLU 88 Cb 1.28 -0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.18 1fnt h GLU 88 CO 0.12 0.00 0.19 0.54 -1.00 0.00 0.00 179.01 178.86 1fnt n ARG 89 N -4.25 4.16 0.00 2.33 5.12 -1.20 -4.77 116.66 118.05 1fnt n ARG 89 Ca 0.43 -4.66 0.13 0.00 -1.93 0.00 0.00 57.85 51.82 1fnt n ARG 89 Cb 1.84 -2.34 0.50 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.21 0.01 -0.08 5.56 3.00 0.35 -2.82 116.66 122.48 1fnt n ARG 90 Ca 0.40 0.01 0.03 0.00 -0.00 0.00 0.00 57.85 58.29 1fnt n ARG 90 Cb 0.34 -1.51 0.07 0.00 0.00 0.00 0.00 32.46 31.36 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 -1.54 0.18 -2.80 -0.14 3.72 -1.26 -4.51 117.46 111.12 1fnt n PHE 91 Ca 0.06 -0.54 -0.10 0.00 -0.05 0.00 0.00 57.45 56.82 1fnt n PHE 91 Cb 0.34 -0.06 0.04 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.22 0.42 3.77 1.37 0.00 -1.25 -5.14 105.19 104.13 1fnt n GLY 92 Ca 0.05 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 0.43 2.95 -0.15 1.61 0.04 -1.13 -4.76 135.00 133.99 1fnt s PRO 93 Ca 0.32 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.67 1fnt s PRO 93 Cb 0.23 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 1fnt s PRO 93 CO -0.22 -1.16 0.60 0.71 0.04 0.00 0.00 177.00 176.97 1fnt s TYR 94 N -2.09 3.45 -1.28 0.56 2.02 -1.26 -4.99 117.35 113.77 1fnt s TYR 94 Ca 0.70 0.98 -0.18 0.00 -0.37 0.00 0.00 57.07 58.20 1fnt s TYR 94 Cb -0.23 -2.73 0.07 0.00 -0.40 0.00 0.00 41.96 38.67 1fnt s TYR 94 CO 0.36 -0.03 1.72 -0.06 -1.57 0.00 0.00 175.55 175.97 1fnt s PHE 95 N 1.33 2.78 0.30 2.71 0.08 -1.26 -4.65 117.98 119.26 1fnt s PHE 95 Ca 0.30 -1.59 0.04 0.00 0.12 0.00 0.00 56.93 55.79 1fnt s PHE 95 Cb -0.16 -4.75 -0.03 0.00 -0.57 0.00 0.00 43.02 37.51 1fnt s PHE 95 CO 0.12 -1.81 0.27 0.14 -0.10 0.00 0.00 175.22 173.84 1fnt s VAL 96 N 4.23 0.00 -0.41 -0.44 -7.23 -1.26 -0.93 120.40 114.36 1fnt s VAL 96 Ca 0.53 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1fnt s VAL 96 Cb 0.04 -2.51 0.17 0.00 0.56 0.00 0.00 36.38 34.63 1fnt s VAL 96 CO 0.07 0.00 0.38 -0.83 -0.31 0.00 0.00 175.10 174.41 1fnt s GLY 97 N -3.30 0.68 0.88 2.32 0.00 0.10 -3.39 107.32 104.61 1fnt s GLY 97 Ca 0.39 -1.93 -0.12 0.00 0.00 0.00 0.00 44.72 43.06 1fnt s GLY 97 CO 0.23 2.40 1.12 2.56 0.00 0.00 0.00 173.10 179.41 1fnt s PRO 98 N 0.47 1.39 -0.30 2.90 0.04 -1.25 -1.99 135.00 136.26 1fnt s PRO 98 Ca 0.29 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 61.69 1fnt s PRO 98 Cb -0.03 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.81 1fnt s PRO 98 CO -0.13 -2.05 0.62 0.08 0.04 0.00 0.00 177.00 175.55 1fnt s VAL 99 N -3.21 -0.98 0.07 -0.36 1.01 0.28 -2.66 120.40 114.54 1fnt s VAL 99 Ca 0.63 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1fnt s VAL 99 Cb -0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1fnt s VAL 99 CO 0.54 -0.00 0.04 -0.69 0.00 0.00 0.00 175.10 174.99 1fnt s VAL 100 N 2.87 4.29 -0.23 2.92 1.01 -0.57 -0.64 120.40 130.05 1fnt s VAL 100 Ca 0.06 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1fnt s VAL 100 Cb -0.13 -3.04 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1fnt s VAL 100 CO -0.20 0.16 0.90 0.00 0.00 0.00 0.00 175.10 175.96 1fnt s ALA 101 N -1.32 -1.89 0.00 5.51 0.00 -0.62 0.03 121.76 123.48 1fnt s ALA 101 Ca 0.27 1.79 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1fnt s ALA 101 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1fnt s ALA 101 CO 0.19 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1fnt n GLY 102 N 1.89 0.84 2.95 0.00 0.00 -0.41 -2.30 105.19 108.17 1fnt n GLY 102 Ca -0.13 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.20 1.34 -0.19 -0.61 1.01 -1.26 -0.10 121.20 119.19 1fnt s ILE 103 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 1fnt s ILE 103 Cb 0.00 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1fnt s ILE 103 CO 0.00 0.24 1.93 0.21 0.00 0.00 0.00 174.94 177.32 1fnt s ASN 104 N 1.55 5.97 0.00 3.58 3.84 -1.09 -4.90 114.94 123.88 1fnt s ASN 104 Ca 0.02 1.86 0.04 0.00 0.21 0.00 0.00 52.86 54.99 1fnt s ASN 104 Cb -0.15 -2.52 0.26 0.00 -0.55 0.00 0.00 41.25 38.29 1fnt s ASN 104 CO -0.09 -1.55 0.66 -1.54 -2.79 0.00 0.00 177.10 171.79 1fnt n SER 105 N 9.77 0.00 0.01 -4.21 3.41 -1.26 0.47 113.62 121.81 1fnt n SER 105 Ca 0.24 -0.22 -0.02 0.00 -0.26 0.00 0.00 58.87 58.61 1fnt n SER 105 Cb 0.45 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.88 0.10 0.01 4.33 4.76 -1.26 -4.77 118.16 120.45 1fnt n LYS 106 Ca 0.03 0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 1fnt n LYS 106 Cb 0.02 -0.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 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 -0.19 0.67 0.00 4.39 4.64 -1.99 -3.47 113.55 117.61 1fnt h SER 107 Ca 0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1fnt h SER 107 Cb 0.19 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1fnt h SER 107 CO 0.00 1.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 1fnt n GLY 108 N 0.52 0.61 3.68 -0.77 0.00 0.18 -5.05 105.19 104.36 1fnt n GLY 108 Ca -0.05 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.93 4.32 0.57 1.61 2.20 -1.25 -4.75 119.74 121.51 1fnt s LYS 109 Ca 0.00 0.84 -0.21 0.00 -0.36 0.00 0.00 55.97 56.24 1fnt s LYS 109 Cb 0.00 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1fnt s LYS 109 CO 0.00 -0.16 1.31 -2.30 -0.36 0.00 0.00 175.35 173.83 1fnt n PRO 110 N 4.67 1.50 -3.88 4.03 -0.02 -1.26 -2.69 135.00 137.36 1fnt n PRO 110 Ca 0.01 0.56 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1fnt n PRO 110 Cb 0.50 -2.52 -0.13 0.00 -0.02 0.00 0.00 33.50 31.32 1fnt n PRO 110 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1fnt s PHE 111 N -1.32 0.01 -0.10 6.00 5.99 0.86 -4.94 117.98 124.48 1fnt s PHE 111 Ca 0.74 -0.01 -0.10 0.00 0.00 0.00 0.00 56.93 57.56 1fnt s PHE 111 Cb -0.41 -0.01 0.03 0.00 0.00 0.00 0.00 43.02 42.62 1fnt s PHE 111 CO 0.47 -0.04 0.29 0.96 -0.00 0.00 0.00 175.22 176.90 1fnt s ILE 112 N -0.18 0.01 0.10 3.12 -4.36 -1.26 -1.28 121.20 117.35 1fnt s ILE 112 Ca -0.02 -0.05 -0.12 0.00 -0.26 0.00 0.00 60.65 60.20 1fnt s ILE 112 Cb -0.01 -0.43 0.01 0.00 1.25 0.00 0.00 42.46 43.28 1fnt s ILE 112 CO -0.00 -0.03 0.27 0.00 0.24 0.00 0.00 174.94 175.42 1fnt s ALA 113 N 0.01 -0.51 0.03 2.27 0.00 0.10 -3.55 121.76 120.11 1fnt s ALA 113 Ca -0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 1fnt s ALA 113 Cb -0.02 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 1fnt s ALA 113 CO 0.01 -0.56 0.09 0.20 0.00 0.00 0.00 175.76 175.50 1fnt s GLY 114 N -2.84 0.15 0.07 0.00 0.00 -0.84 -1.52 107.32 102.34 1fnt s GLY 114 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 44.72 44.22 1fnt s GLY 114 CO -0.11 -0.59 0.17 -1.36 0.00 0.00 0.00 173.10 171.21 1fnt s PHE 115 N -2.21 0.15 0.45 1.90 0.40 -1.09 -0.50 117.98 117.08 1fnt s PHE 115 Ca -0.08 -0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 55.70 1fnt s PHE 115 Cb -0.03 -0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.40 1fnt s PHE 115 CO -0.03 -0.49 0.71 0.16 0.70 0.00 0.00 175.22 176.26 1fnt s ASP 116 N -2.62 6.04 0.11 1.36 1.47 -1.22 -3.90 116.67 117.92 1fnt s ASP 116 Ca 0.02 0.58 0.03 0.00 1.18 0.00 0.00 52.55 54.35 1fnt s ASP 116 Cb 0.03 -1.90 0.14 0.00 -0.34 0.00 0.00 42.92 40.86 1fnt s ASP 116 CO -0.09 -0.61 0.81 0.00 0.68 0.00 0.00 175.17 175.96 1fnt n LEU 117 N -2.13 0.07 -0.49 2.11 -0.00 -1.22 -0.70 117.00 114.65 1fnt n LEU 117 Ca -0.00 0.26 0.06 0.00 -0.00 0.00 0.00 56.01 56.32 1fnt n LEU 117 Cb 0.56 -0.21 0.07 0.00 -0.00 0.00 0.00 43.42 43.84 1fnt n LEU 117 CO 0.50 -0.28 0.47 2.30 -0.00 0.00 0.00 177.39 180.38 1fnt n ILE 118 N -1.43 0.22 0.00 1.47 -5.35 -1.26 -4.16 119.36 108.85 1fnt n ILE 118 Ca -0.00 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1fnt n ILE 118 Cb 0.39 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 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 0.60 1.11 3.69 3.28 0.00 0.12 -3.03 105.19 110.97 1fnt n GLY 119 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 1.77 5.04 -0.62 0.00 1.01 -1.26 -3.40 121.20 123.75 1fnt s ILE 121 Ca 0.52 1.16 -0.07 0.00 0.00 0.00 0.00 60.65 62.26 1fnt s ILE 121 Cb -0.22 -3.93 0.16 0.00 0.01 0.00 0.00 42.46 38.48 1fnt s ILE 121 CO 0.22 0.14 0.48 -0.62 0.00 0.00 0.00 174.94 175.16 1fnt s ASP 122 N 1.14 5.72 -0.09 3.58 -1.08 0.35 -4.98 116.67 121.30 1fnt s ASP 122 Ca 0.28 -2.52 -0.27 0.00 -0.52 0.00 0.00 52.55 49.53 1fnt s ASP 122 Cb -0.16 -1.98 -0.02 0.00 -1.46 0.00 0.00 42.92 39.30 1fnt s ASP 122 CO 0.11 -0.51 0.87 -1.61 0.52 0.00 0.00 175.17 174.55 1fnt s GLU 123 N 0.44 4.42 0.09 4.34 0.41 -1.26 -1.99 118.70 125.15 1fnt s GLU 123 Ca 0.14 1.16 0.01 0.00 -0.41 0.00 0.00 54.97 55.87 1fnt s GLU 123 Cb -0.20 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.60 1fnt s GLU 123 CO -0.04 -0.16 -0.06 0.00 -0.49 0.00 0.00 175.26 174.51 1fnt s ALA 124 N 1.51 0.91 -0.81 5.21 0.00 -1.23 -5.05 121.76 122.30 1fnt s ALA 124 Ca 0.44 -1.30 0.07 0.00 0.00 0.00 0.00 51.96 51.16 1fnt s ALA 124 Cb -0.18 0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.17 1fnt s ALA 124 CO 0.19 -0.24 0.78 0.36 0.00 0.00 0.00 175.76 176.85 1fnt n LYS 125 N 0.06 0.36 0.04 0.00 -0.00 -1.26 -4.52 118.16 112.85 1fnt n LYS 125 Ca -0.13 -1.04 0.00 0.00 -0.00 0.00 0.00 58.31 57.15 1fnt n LYS 125 Cb 0.60 -1.14 0.00 0.00 -0.00 0.00 0.00 35.03 34.50 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 0.35 0.66 -3.56 -5.58 5.68 -1.26 -4.71 116.55 108.12 1fnt n ASP 126 Ca 0.04 0.13 -0.12 0.00 -0.50 0.00 0.00 54.79 54.35 1fnt n ASP 126 Cb 0.20 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 39.97 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 -1.70 -0.37 -0.01 2.11 -0.12 -1.26 -2.31 117.98 114.32 1fnt s PHE 127 Ca 0.00 0.23 0.02 0.00 -0.05 0.00 0.00 56.93 57.13 1fnt s PHE 127 Cb 0.00 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 1fnt s PHE 127 CO 0.00 -0.71 -0.06 0.42 -0.05 0.00 0.00 175.22 174.82 1fnt s ILE 128 N -3.22 0.54 0.00 -4.49 -1.09 -0.47 -4.92 121.20 107.55 1fnt s ILE 128 Ca -0.01 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1fnt s ILE 128 Cb 0.00 -0.48 -0.01 0.00 -1.58 0.00 0.00 42.46 40.39 1fnt s ILE 128 CO -0.08 0.17 -0.05 0.68 -1.23 0.00 0.00 174.94 174.43 1fnt s VAL 129 N 0.08 0.39 -0.05 2.92 -7.23 -1.26 -1.41 120.40 113.84 1fnt s VAL 129 Ca -0.01 -0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 59.70 1fnt s VAL 129 Cb -0.05 -0.35 0.03 0.00 0.56 0.00 0.00 36.38 36.57 1fnt s VAL 129 CO -0.00 0.06 0.39 -0.44 -0.31 0.00 0.00 175.10 174.80 1fnt s SER 130 N -0.25 -0.32 0.00 4.85 0.01 -0.90 -5.01 113.70 112.08 1fnt s SER 130 Ca 0.01 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1fnt s SER 130 Cb -0.03 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1fnt s SER 130 CO -0.00 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1fnt n GLY 131 N 1.54 1.24 0.18 3.44 0.00 -1.26 -2.04 105.19 108.28 1fnt n GLY 131 Ca -0.19 -2.25 -0.05 0.00 0.00 0.00 0.00 46.02 43.53 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 0.50 0.00 -0.44 2.61 2.02 -1.71 -1.76 112.91 114.13 1fnt h THR 132 Ca 0.00 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.70 1fnt h THR 132 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.33 1fnt h THR 132 CO 0.00 0.00 1.37 0.00 0.37 0.00 0.00 175.52 177.26 1fnt n ALA 133 N -3.03 6.79 -0.07 6.16 0.00 -1.26 -4.56 120.51 124.53 1fnt n ALA 133 Ca 0.00 -2.93 -0.10 0.00 0.00 0.00 0.00 53.44 50.41 1fnt n ALA 133 Cb 0.12 -2.63 -0.03 0.00 0.00 0.00 0.00 19.45 16.90 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 3.79 0.31 -0.29 0.00 0.87 -1.64 -2.53 113.55 114.07 1fnt h SER 134 Ca 0.50 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.94 1fnt h SER 134 Cb 0.81 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1fnt h SER 134 CO 0.99 0.30 0.04 0.44 -0.53 0.00 0.00 176.83 178.08 1fnt h ASP 135 N 0.29 0.54 0.59 6.23 5.19 -1.87 -1.72 116.42 125.67 1fnt h ASP 135 Ca 0.09 -0.09 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 1fnt h ASP 135 Cb 0.06 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1fnt h ASP 135 CO -0.01 0.58 -0.52 1.56 -3.12 0.00 0.00 179.24 177.73 1fnt h GLN 136 N 0.56 0.00 -0.29 3.56 7.50 -1.88 -3.04 115.11 121.52 1fnt h GLN 136 Ca 0.12 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.12 1fnt h GLN 136 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.82 1fnt h GLN 136 CO 0.00 0.52 -0.43 -0.07 -1.50 0.00 0.00 178.83 177.36 1fnt h LEU 137 N 0.00 0.87 -1.72 1.46 3.38 -0.89 -2.82 115.31 115.59 1fnt h LEU 137 Ca -0.01 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1fnt h LEU 137 Cb 0.95 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1fnt h LEU 137 CO 0.07 1.21 -0.16 -0.26 0.09 0.00 0.00 178.44 179.39 1fnt h PHE 138 N 0.56 0.00 -0.47 1.13 0.04 -1.38 -0.55 116.94 116.27 1fnt h PHE 138 Ca 0.03 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 1fnt h PHE 138 Cb 1.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1fnt h PHE 138 CO 0.08 0.16 -0.20 0.78 -0.60 0.00 0.00 178.31 178.52 1fnt h GLY 139 N 0.55 1.02 0.23 -1.45 0.00 -1.40 -1.18 103.07 100.83 1fnt h GLY 139 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 1fnt h GLY 139 CO 0.02 0.80 -0.11 -0.33 0.00 0.00 0.00 176.54 176.92 1fnt h MET 140 N 0.81 -0.30 -0.88 4.80 2.86 -1.22 -3.29 114.93 117.72 1fnt h MET 140 Ca 0.11 0.02 0.24 0.00 -2.06 0.00 0.00 59.70 58.01 1fnt h MET 140 Cb 0.76 0.07 -0.14 0.00 0.06 0.00 0.00 31.60 32.35 1fnt h MET 140 CO 0.06 -0.20 0.23 0.00 1.06 0.00 0.00 176.91 178.07 1fnt h GLU 142 N 0.20 0.30 0.00 0.00 4.57 -1.33 0.35 114.58 118.68 1fnt h GLU 142 Ca 0.55 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.68 1fnt h GLU 142 Cb 1.12 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1fnt h GLU 142 CO -0.66 0.21 -0.25 0.77 -1.18 0.00 0.00 179.01 177.91 1fnt h SER 143 N 0.31 0.00 0.57 1.04 0.02 -0.91 -3.41 113.55 111.17 1fnt h SER 143 Ca 0.08 -0.59 -0.16 0.00 -0.84 0.00 0.00 61.79 60.28 1fnt h SER 143 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1fnt h SER 143 CO -0.02 0.94 -0.71 -0.07 -1.14 0.00 0.00 176.83 175.83 1fnt h LEU 144 N -1.00 0.14 -9.74 5.07 3.38 -0.94 -3.46 115.31 108.77 1fnt h LEU 144 Ca -0.06 -0.10 -0.53 0.00 0.09 0.00 0.00 57.88 57.29 1fnt h LEU 144 Cb 0.76 -0.04 0.07 0.00 0.09 0.00 0.00 40.66 41.54 1fnt h LEU 144 CO -0.03 0.80 0.88 -0.47 0.09 0.00 0.00 178.44 179.71 1fnt s TYR 145 N -3.48 2.87 -0.08 1.13 5.04 0.10 -4.97 117.35 117.96 1fnt s TYR 145 Ca -0.02 0.74 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1fnt s TYR 145 Cb 0.12 -4.01 0.03 0.00 0.35 0.00 0.00 41.96 38.44 1fnt s TYR 145 CO 0.79 -3.50 -0.03 -2.00 -1.34 0.00 0.00 175.55 169.48 1fnt s GLU 146 N 0.02 0.93 -0.11 4.97 2.12 -1.26 -4.99 118.70 120.38 1fnt s GLU 146 Ca 0.65 -0.03 -0.38 0.00 0.36 0.00 0.00 54.97 55.57 1fnt s GLU 146 Cb -0.46 -1.16 -0.15 0.00 0.26 0.00 0.00 34.13 32.62 1fnt s GLU 146 CO 0.42 -0.26 1.65 -2.30 -0.54 0.00 0.00 175.26 174.22 1fnt n PRO 147 N 4.95 1.43 -2.73 4.30 -0.02 -1.26 -3.82 135.00 137.85 1fnt n PRO 147 Ca -0.11 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1fnt n PRO 147 Cb 0.50 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 4.66 -6.58 -4.92 2.55 4.13 -1.26 -4.98 115.26 108.86 1fnt n ASN 148 Ca 0.23 -0.06 -0.26 0.00 1.68 0.00 0.00 54.58 56.17 1fnt n ASN 148 Cb 0.19 -4.41 0.02 0.00 -1.54 0.00 0.00 39.78 34.04 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 -3.58 3.44 0.15 3.41 1.43 -1.25 -4.41 118.68 117.86 1fnt s LEU 149 Ca 0.00 0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 53.49 1fnt s LEU 149 Cb -0.00 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 1fnt s LEU 149 CO 0.59 -0.85 0.83 -1.61 0.23 0.00 0.00 176.35 175.54 1fnt s GLU 150 N -4.82 4.63 0.34 1.70 0.41 -1.26 -2.17 118.70 117.53 1fnt s GLU 150 Ca 0.51 1.24 0.14 0.00 -0.41 0.00 0.00 54.97 56.44 1fnt s GLU 150 Cb -0.10 -3.30 1.11 0.00 -1.78 0.00 0.00 34.13 30.06 1fnt s GLU 150 CO 0.43 0.46 1.59 -1.00 -0.49 0.00 0.00 175.26 176.26 1fnt h PRO 151 N 4.69 0.05 0.00 0.39 0.13 -1.97 0.44 132.00 135.74 1fnt h PRO 151 Ca -0.46 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1fnt h PRO 151 Cb 1.21 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1fnt h PRO 151 CO 0.68 0.03 -0.32 0.93 -0.23 0.00 0.00 178.00 179.09 1fnt h GLU 152 N 0.05 0.00 0.01 0.86 3.07 -2.00 -1.87 114.58 114.70 1fnt h GLU 152 Ca 0.75 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.39 1fnt h GLU 152 Cb 1.82 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.70 1fnt h GLU 152 CO -0.79 0.32 -1.17 -0.44 -1.40 0.00 0.00 179.01 175.53 1fnt h ASP 153 N 0.00 0.02 -0.88 1.42 3.32 -0.74 -3.32 116.42 116.24 1fnt h ASP 153 Ca -0.00 -0.57 0.23 0.00 0.02 0.00 0.00 57.03 56.71 1fnt h ASP 153 Cb 0.64 -0.01 -0.14 0.00 0.22 0.00 0.00 39.33 40.05 1fnt h ASP 153 CO 0.04 1.46 0.29 0.25 -1.72 0.00 0.00 179.24 179.57 1fnt h LEU 154 N -0.95 0.11 0.12 1.55 5.85 -0.33 0.32 115.31 121.99 1fnt h LEU 154 Ca -0.32 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1fnt h LEU 154 Cb 1.31 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 1fnt h LEU 154 CO -0.18 -0.11 -0.37 0.15 -0.34 0.00 0.00 178.44 177.59 1fnt h PHE 155 N 0.26 -1.01 -0.89 1.25 3.57 -1.49 -0.91 116.94 117.72 1fnt h PHE 155 Ca 0.56 0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.21 1fnt h PHE 155 Cb 1.12 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 40.20 1fnt h PHE 155 CO -0.22 -0.47 0.51 0.93 -2.23 0.00 0.00 178.31 176.84 1fnt h GLU 156 N -0.60 0.78 0.10 1.11 4.39 -0.53 -0.25 114.58 119.59 1fnt h GLU 156 Ca 0.03 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1fnt h GLU 156 Cb 0.63 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1fnt h GLU 156 CO -0.22 0.51 -0.05 1.15 -1.16 0.00 0.00 179.01 179.25 1fnt h THR 157 N 0.80 0.00 -0.94 1.13 2.02 -0.68 -1.89 112.91 113.35 1fnt h THR 157 Ca 0.45 -0.03 0.27 0.00 0.77 0.00 0.00 66.41 67.87 1fnt h THR 157 Cb 0.51 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.78 1fnt h THR 157 CO -0.29 0.00 0.42 -0.29 0.37 0.00 0.00 175.52 175.73 1fnt h ILE 158 N -0.17 0.35 -0.09 3.11 2.10 -1.13 0.25 117.51 121.94 1fnt h ILE 158 Ca -0.01 -0.11 0.02 0.00 1.08 0.00 0.00 64.86 65.84 1fnt h ILE 158 Cb 0.11 0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 35.82 1fnt h ILE 158 CO 0.02 0.06 -0.06 0.28 -1.08 0.00 0.00 178.15 177.37 1fnt h SER 159 N 0.32 -0.19 0.09 2.19 0.02 -1.02 0.15 113.55 115.11 1fnt h SER 159 Ca 0.63 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.54 1fnt h SER 159 Cb 1.33 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 1fnt h SER 159 CO -0.60 -0.08 -0.26 1.56 -1.14 0.00 0.00 176.83 176.30 1fnt h GLN 160 N -0.06 0.29 0.36 3.45 1.08 0.25 -0.33 115.11 120.14 1fnt h GLN 160 Ca 0.06 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1fnt h GLN 160 Cb 0.15 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1fnt h GLN 160 CO -0.13 0.53 -0.17 0.00 -0.95 0.00 0.00 178.83 178.11 1fnt h ALA 161 N 1.47 -0.49 0.20 3.87 0.00 0.00 -0.96 119.26 123.36 1fnt h ALA 161 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1fnt h ALA 161 Cb 0.61 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1fnt h ALA 161 CO 0.04 -0.68 -0.12 1.25 0.00 0.00 0.00 179.25 179.74 1fnt h LEU 162 N -0.67 -0.31 -0.89 0.00 6.46 -0.92 -2.59 115.31 116.39 1fnt h LEU 162 Ca -0.05 0.02 0.19 0.00 -0.12 0.00 0.00 57.88 57.91 1fnt h LEU 162 Cb 0.48 0.09 -0.17 0.00 -0.73 0.00 0.00 40.66 40.33 1fnt h LEU 162 CO 0.08 -0.19 -0.19 -0.11 -0.62 0.00 0.00 178.44 177.42 1fnt n LEU 163 N -2.96 -0.29 0.06 2.25 7.94 -0.14 -1.55 117.00 122.31 1fnt n LEU 163 Ca -0.04 1.53 -0.16 0.00 -1.11 0.00 0.00 56.01 56.23 1fnt n LEU 163 Cb 0.12 -0.48 -0.08 0.00 0.53 0.00 0.00 43.42 43.52 1fnt n LEU 163 CO 0.09 -1.48 0.12 0.78 -1.11 0.00 0.00 177.39 175.78 1fnt h ASN 164 N 0.00 0.68 -0.08 1.96 2.35 -1.15 -3.15 115.58 116.19 1fnt h ASN 164 Ca 0.44 -0.56 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1fnt h ASN 164 Cb 0.72 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1fnt h ASN 164 CO -0.91 1.37 -0.13 0.00 -1.65 0.00 0.00 177.43 176.11 1fnt h ALA 165 N 0.58 1.31 0.00 -0.83 0.00 -0.89 -2.65 119.26 116.79 1fnt h ALA 165 Ca -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1fnt h ALA 165 Cb 1.67 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1fnt h ALA 165 CO 0.19 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.86 1fnt h ALA 166 N 1.48 1.56 0.00 0.00 0.00 -1.24 -2.19 119.26 118.87 1fnt h ALA 166 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1fnt h ALA 166 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1fnt h ALA 166 CO 0.03 0.05 -0.28 -0.44 0.00 0.00 0.00 179.25 178.60 1fnt h ASP 167 N 0.00 0.00 -0.02 0.00 3.32 -1.50 -3.15 116.42 115.07 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 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1fnt h ASP 167 CO 0.00 0.22 0.00 0.54 -1.72 0.00 0.00 179.24 178.28 1fnt n ARG 168 N -3.13 1.76 -4.04 3.56 5.12 -0.83 -4.70 116.66 114.40 1fnt n ARG 168 Ca 0.03 -1.10 -0.35 0.00 -1.93 0.00 0.00 57.85 54.50 1fnt n ARG 168 Cb 0.62 -1.48 -0.13 0.00 -1.16 0.00 0.00 32.46 30.31 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 4.59 0.37 0.55 2.15 -1.15 -4.99 116.67 116.21 1fnt s ASP 169 Ca 0.37 -0.28 0.18 0.00 0.43 0.00 0.00 52.55 53.25 1fnt s ASP 169 Cb 0.21 -1.78 0.67 0.00 -0.30 0.00 0.00 42.92 41.72 1fnt s ASP 169 CO 0.33 0.03 1.73 0.00 -0.17 0.00 0.00 175.17 177.09 1fnt h ALA 170 N 7.73 1.00 -0.51 3.66 0.00 -1.84 -3.26 119.26 126.04 1fnt h ALA 170 Ca -0.37 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.19 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 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.60 1fnt n LEU 171 N -3.54 4.30 -4.01 0.00 4.77 -1.26 -4.92 117.00 112.34 1fnt n LEU 171 Ca -0.00 -2.18 -0.10 0.00 -0.03 0.00 0.00 56.01 53.70 1fnt n LEU 171 Cb 0.51 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1fnt n LEU 171 CO 0.37 0.64 -0.37 -0.44 -1.33 0.00 0.00 177.39 176.25 1fnt s SER 172 N -0.75 0.44 0.00 -1.43 0.01 -1.23 -3.13 113.70 107.61 1fnt s SER 172 Ca 0.43 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1fnt s SER 172 Cb 0.29 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1fnt s SER 172 CO 0.18 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1fnt n GLY 173 N 1.53 0.13 4.07 3.44 0.00 -1.26 -4.75 105.19 108.36 1fnt n GLY 173 Ca -0.23 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.70 0.00 1.61 7.02 -1.26 -1.72 117.44 121.40 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 -3.40 0.00 0.00 -2.42 0.00 0.00 31.31 25.49 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 -1.78 1.47 3.83 6.99 0.00 -1.26 -4.34 105.19 110.11 1fnt n GLY 175 Ca -0.15 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.56 -1.12 -0.15 4.61 0.00 -1.26 -0.79 121.76 120.49 1fnt s ALA 176 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 1fnt s ALA 176 Cb 0.00 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1fnt s ALA 176 CO 0.00 -1.02 0.39 0.54 0.00 0.00 0.00 175.76 175.67 1fnt s VAL 177 N -3.93 -0.00 -0.04 0.00 0.11 -0.70 -2.26 120.40 113.58 1fnt s VAL 177 Ca 0.12 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1fnt s VAL 177 Cb -0.05 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1fnt s VAL 177 CO 0.07 0.00 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.02 1fnt s VAL 178 N 0.34 1.20 0.12 2.04 1.01 0.34 -2.42 120.40 123.03 1fnt s VAL 178 Ca -0.01 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1fnt s VAL 178 Cb -0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1fnt s VAL 178 CO -0.01 0.36 0.01 -0.31 0.00 0.00 0.00 175.10 175.14 1fnt s TYR 179 N 0.20 2.95 -0.20 5.22 1.51 -0.97 -0.75 117.35 125.32 1fnt s TYR 179 Ca -0.06 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1fnt s TYR 179 Cb -0.12 -1.49 0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1fnt s TYR 179 CO 0.02 0.49 -0.03 0.42 -1.11 0.00 0.00 175.55 175.34 1fnt s ILE 180 N -1.44 1.12 -0.40 2.71 -1.09 -0.81 -2.82 121.20 118.48 1fnt s ILE 180 Ca 0.26 -0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.68 1fnt s ILE 180 Cb -0.11 -1.41 0.01 0.00 -1.58 0.00 0.00 42.46 39.37 1fnt s ILE 180 CO 0.19 -0.04 0.46 -0.63 -1.23 0.00 0.00 174.94 173.68 1fnt s ILE 181 N 1.60 5.06 0.50 2.92 1.09 -0.61 -2.28 121.20 129.48 1fnt s ILE 181 Ca -0.02 -0.10 0.08 0.00 -1.10 0.00 0.00 60.65 59.51 1fnt s ILE 181 Cb -0.17 -4.01 0.03 0.00 -1.06 0.00 0.00 42.46 37.26 1fnt s ILE 181 CO -0.07 -0.35 0.56 -0.54 -0.10 0.00 0.00 174.94 174.45 1fnt s LYS 182 N 2.24 2.47 0.18 2.79 1.02 -0.54 -2.46 119.74 125.44 1fnt s LYS 182 Ca 0.14 -1.60 -0.20 0.00 0.02 0.00 0.00 55.97 54.33 1fnt s LYS 182 Cb -0.16 -2.50 0.12 0.00 -0.52 0.00 0.00 37.83 34.77 1fnt s LYS 182 CO 0.14 -0.52 1.60 0.87 -0.92 0.00 0.00 175.35 176.52 1fnt h LYS 183 N 0.60 -0.16 0.00 1.68 1.79 -1.98 -3.40 116.57 115.11 1fnt h LYS 183 Ca -0.36 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1fnt h LYS 183 Cb 1.28 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1fnt h LYS 183 CO 0.49 -0.11 0.00 -0.40 -1.08 0.00 0.00 179.45 178.35 1fnt n ASP 184 N -5.43 0.00 -3.99 0.86 5.75 -1.26 -5.06 116.55 107.42 1fnt n ASP 184 Ca 0.04 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.45 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 -3.78 0.11 0.28 -1.26 -5.04 120.64 110.95 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 -0.95 -0.15 0.00 1.43 0.00 0.00 31.44 31.77 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 -1.90 -0.04 -0.19 3.84 1.01 -1.26 -1.46 120.40 120.39 1fnt s VAL 186 Ca 0.51 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1fnt s VAL 186 Cb -0.42 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1fnt s VAL 186 CO 0.65 0.07 -0.14 -0.69 0.00 0.00 0.00 175.10 174.99 1fnt s VAL 187 N 0.89 2.59 -0.15 2.92 1.01 -0.97 -4.94 120.40 121.75 1fnt s VAL 187 Ca -0.07 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1fnt s VAL 187 Cb -0.10 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1fnt s VAL 187 CO -0.03 0.49 0.25 -0.75 0.00 0.00 0.00 175.10 175.06 1fnt s LYS 188 N 1.34 4.13 -0.02 2.72 2.20 -1.26 -1.92 119.74 126.93 1fnt s LYS 188 Ca 0.05 0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.69 1fnt s LYS 188 Cb -0.14 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1fnt s LYS 188 CO -0.09 0.34 -0.05 1.03 -0.36 0.00 0.00 175.35 176.22 1fnt s ARG 189 N 0.17 0.61 -0.00 4.03 0.52 0.07 -4.99 118.95 119.36 1fnt s ARG 189 Ca 0.15 -0.17 -0.01 0.00 -0.52 0.00 0.00 55.73 55.18 1fnt s ARG 189 Cb -0.13 -0.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 1fnt s ARG 189 CO 0.03 0.05 0.09 0.71 0.02 0.00 0.00 175.30 176.20 1fnt s TYR 190 N 0.28 3.32 0.30 -0.53 1.51 -1.26 -0.51 117.35 120.46 1fnt s TYR 190 Ca -0.03 0.22 0.11 0.00 -1.01 0.00 0.00 57.07 56.36 1fnt s TYR 190 Cb -0.07 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 1fnt s TYR 190 CO -0.00 0.56 -0.14 -0.48 -1.11 0.00 0.00 175.55 174.38 1fnt s LEU 191 N -1.77 2.71 -0.05 -1.29 2.34 -0.96 -4.99 118.68 114.67 1fnt s LEU 191 Ca 0.24 -1.03 -0.21 0.00 0.06 0.00 0.00 54.13 53.19 1fnt s LEU 191 Cb -0.12 -1.16 -0.05 0.00 -0.56 0.00 0.00 46.19 44.31 1fnt s LEU 191 CO 0.15 -0.04 0.60 -0.75 -1.06 0.00 0.00 176.35 175.25 1fnt s LYS 192 N -3.56 4.36 0.30 1.48 2.20 -1.26 -4.22 119.74 119.04 1fnt s LYS 192 Ca 0.31 0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 56.59 1fnt s LYS 192 Cb -0.03 -3.40 -0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1fnt s LYS 192 CO 0.16 0.22 0.44 0.00 -0.36 0.00 0.00 175.35 175.81 1fnt s MET 193 N 0.32 1.72 0.42 4.03 0.23 -1.26 -5.06 119.30 119.71 1fnt s MET 193 Ca 0.32 -1.60 -0.26 0.00 -1.03 0.00 0.00 55.69 53.12 1fnt s MET 193 Cb -0.17 0.43 -0.10 0.00 -1.53 0.00 0.00 34.83 33.46 1fnt s MET 193 CO 0.16 -0.70 1.45 0.54 -2.03 0.00 0.00 175.02 174.44 1fnt n ARG 194 N -0.48 2.41 -2.15 3.16 1.74 -1.26 -4.86 116.66 115.23 1fnt n ARG 194 Ca 0.00 0.85 -0.32 0.00 -0.77 0.00 0.00 57.85 57.61 1fnt n ARG 194 Cb 0.62 -2.64 0.02 0.00 -1.02 0.00 0.00 32.46 29.45 1fnt n ARG 194 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1fnt n GLN 195 N 0.07 3.13 0.00 5.56 1.13 -1.26 -4.21 117.38 121.81 1fnt n GLN 195 Ca 0.04 -4.02 0.00 0.00 -1.94 0.00 0.00 57.00 51.07 1fnt n GLN 195 Cb 0.40 -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