#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2i n SER -3 N 0.00 3.21 -1.96 3.42 7.64 -1.26 -0.72 113.62 123.95 1b2i n SER -3 Ca 0.00 0.96 -0.15 0.00 1.01 0.00 0.00 58.87 60.69 1b2i n SER -3 Cb 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.84 1b2i n SER -3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1b2i n GLU -2 N 6.53 -1.71 -3.64 1.43 4.71 -1.26 -4.88 120.64 121.83 1b2i n GLU -2 Ca 0.24 0.82 -0.26 0.00 -0.01 0.00 0.00 57.16 57.95 1b2i n GLU -2 Cb 0.26 -5.28 -0.17 0.00 -1.01 0.00 0.00 31.44 25.24 1b2i n GLU -2 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1b2i s GLU -1 N -4.21 0.16 0.00 3.49 2.12 0.10 -1.55 118.70 118.82 1b2i s GLU -1 Ca 0.00 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1b2i s GLU -1 Cb 0.00 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1b2i s GLU -1 CO 0.00 -0.65 0.00 0.00 -0.54 0.00 0.00 175.26 174.07 1b2i s MET 2 N -2.00 3.03 0.20 0.00 -1.94 0.61 -4.61 119.30 114.59 1b2i s MET 2 Ca 0.00 -0.84 -0.01 0.00 -1.71 0.00 0.00 55.69 53.14 1b2i s MET 2 Cb 0.00 -2.49 0.12 0.00 2.01 0.00 0.00 34.83 34.47 1b2i s MET 2 CO 0.00 -0.07 1.49 0.45 -0.01 0.00 0.00 175.02 176.88 1b2i h HIS 3 N 7.51 0.54 0.00 -0.03 3.86 -1.93 0.52 115.15 125.61 1b2i h HIS 3 Ca -0.36 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 58.63 1b2i h HIS 3 Cb 1.18 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1b2i h HIS 3 CO 0.47 0.94 0.00 0.41 0.86 0.00 0.00 177.93 180.61 1b2i n GLY 4 N 0.38 -1.68 0.04 2.45 0.00 -1.26 -4.89 105.19 100.23 1b2i n GLY 4 Ca -0.03 0.50 0.07 0.00 0.00 0.00 0.00 46.02 46.56 1b2i n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b2i n SER 5 N -3.11 0.83 -1.40 1.61 7.64 -1.24 -4.70 113.62 113.24 1b2i n SER 5 Ca 0.00 -0.92 -0.13 0.00 1.01 0.00 0.00 58.87 58.84 1b2i n SER 5 Cb 0.00 0.94 -0.01 0.00 -1.01 0.00 0.00 64.21 64.13 1b2i n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b2i n GLY 6 N 1.35 0.02 0.35 0.23 0.00 -1.26 -2.94 105.19 102.94 1b2i n GLY 6 Ca 0.03 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1b2i n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b2i h GLU 7 N 0.00 0.88 -0.16 1.61 4.22 -1.93 -0.79 114.58 118.41 1b2i h GLU 7 Ca -0.30 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.09 1b2i h GLU 7 Cb 1.18 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1b2i h GLU 7 CO 0.36 0.59 0.00 -1.71 -2.18 0.00 0.00 179.01 176.07 1b2i n ASN 8 N -4.47 2.63 -4.71 1.04 5.15 -1.26 -4.84 115.26 108.80 1b2i n ASN 8 Ca 0.11 -1.86 -0.42 0.00 -0.60 0.00 0.00 54.58 51.81 1b2i n ASN 8 Cb 0.16 -0.09 -0.03 0.00 -0.53 0.00 0.00 39.78 39.29 1b2i n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1b2i s TYR 9 N -1.81 3.49 0.06 1.20 5.04 -0.30 -4.90 117.35 120.13 1b2i s TYR 9 Ca 0.34 1.40 -0.08 0.00 -2.44 0.00 0.00 57.07 56.29 1b2i s TYR 9 Cb 0.21 -3.34 -0.31 0.00 0.35 0.00 0.00 41.96 38.86 1b2i s TYR 9 CO 0.30 -0.95 1.10 0.38 -1.34 0.00 0.00 175.55 175.04 1b2i h ASP 10 N 6.81 0.56 0.00 4.32 2.03 -1.58 -3.47 116.42 125.09 1b2i h ASP 10 Ca -0.41 -0.60 0.00 0.00 -0.73 0.00 0.00 57.03 55.29 1b2i h ASP 10 Cb 1.21 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.53 1b2i h ASP 10 CO 0.80 1.47 0.00 0.61 -1.03 0.00 0.00 179.24 181.09 1b2i n GLY 11 N 1.59 2.42 0.00 7.15 0.00 -1.26 -4.68 105.19 110.41 1b2i n GLY 11 Ca -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1b2i n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b2i n LYS 12 N 0.00 5.37 -5.26 1.61 4.76 -1.26 -4.86 118.16 118.52 1b2i n LYS 12 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1b2i n LYS 12 Cb 0.00 -0.54 -0.16 0.00 -1.84 0.00 0.00 35.03 32.49 1b2i n LYS 12 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1b2i s ILE 13 N -0.19 2.14 -0.04 -0.18 1.09 -1.26 -4.96 121.20 117.80 1b2i s ILE 13 Ca 0.00 -1.07 0.08 0.00 -1.10 0.00 0.00 60.65 58.56 1b2i s ILE 13 Cb 0.00 -1.75 0.14 0.00 -1.06 0.00 0.00 42.46 39.78 1b2i s ILE 13 CO 0.00 0.58 1.06 -0.24 -0.10 0.00 0.00 174.94 176.24 1b2i n SER 14 N 2.55 0.76 -4.63 3.58 2.88 -1.26 -1.19 113.62 116.31 1b2i n SER 14 Ca -0.16 -2.35 -0.38 0.00 -1.33 0.00 0.00 58.87 54.64 1b2i n SER 14 Cb 0.51 -0.28 -0.09 0.00 -0.75 0.00 0.00 64.21 63.60 1b2i n SER 14 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1b2i s LYS 15 N -0.85 4.05 0.22 -1.46 2.36 -1.26 -0.29 119.74 122.50 1b2i s LYS 15 Ca 0.13 -0.06 -0.30 0.00 -2.55 0.00 0.00 55.97 53.19 1b2i s LYS 15 Cb 0.13 -3.61 -0.09 0.00 -1.05 0.00 0.00 37.83 33.21 1b2i s LYS 15 CO -0.01 -0.14 1.28 0.95 1.55 0.00 0.00 175.35 178.98 1b2i s THR 16 N 1.65 3.20 0.30 3.43 -4.23 0.32 -2.51 115.64 117.80 1b2i s THR 16 Ca 0.13 1.03 0.06 0.00 -1.18 0.00 0.00 61.69 61.72 1b2i s THR 16 Cb -0.15 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.32 1b2i s THR 16 CO 0.09 0.17 1.73 0.00 -0.54 0.00 0.00 174.62 176.07 1b2i h MET 17 N 5.01 0.54 -0.15 3.99 -0.00 -0.71 -1.43 114.93 122.18 1b2i h MET 17 Ca -0.45 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.21 1b2i h MET 17 Cb 1.22 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1b2i h MET 17 CO 0.75 0.36 0.00 -1.13 -0.00 0.00 0.00 176.91 176.88 1b2i n SER 18 N -4.92 2.93 0.00 -0.10 3.41 -1.26 -4.96 113.62 108.72 1b2i n SER 18 Ca 0.23 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 1b2i n SER 18 Cb 0.64 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1b2i n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b2i n GLY 19 N -0.65 2.63 3.97 5.00 0.00 -0.54 -5.19 105.19 110.42 1b2i n GLY 19 Ca 0.15 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1b2i n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b2i s LEU 20 N 0.00 3.11 0.13 0.99 1.02 -1.26 -4.63 118.68 118.05 1b2i s LEU 20 Ca 0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 54.13 52.97 1b2i s LEU 20 Cb 0.00 -1.72 -0.07 0.00 0.02 0.00 0.00 46.19 44.43 1b2i s LEU 20 CO 0.00 -1.10 1.13 -0.70 0.02 0.00 0.00 176.35 175.69 1b2i s GLU 21 N -4.45 4.54 0.72 1.70 2.56 -1.26 -0.52 118.70 122.00 1b2i s GLU 21 Ca 0.52 1.72 -0.11 0.00 0.00 0.00 0.00 54.97 57.10 1b2i s GLU 21 Cb -0.05 -3.31 0.03 0.00 2.00 0.00 0.00 34.13 32.80 1b2i s GLU 21 CO 0.32 -0.04 1.08 0.00 -0.56 0.00 0.00 175.26 176.06 1b2i s GLN 23 N -5.15 4.28 0.58 0.00 -0.44 0.42 -4.79 119.66 114.57 1b2i s GLN 23 Ca 0.59 0.79 -0.20 0.00 -2.50 0.00 0.00 55.36 54.04 1b2i s GLN 23 Cb -0.13 -3.27 -0.03 0.00 -1.64 0.00 0.00 33.01 27.93 1b2i s GLN 23 CO 0.54 0.56 1.29 0.00 0.50 0.00 0.00 175.29 178.18 1b2i s ALA 24 N -0.86 2.62 -2.00 1.58 0.00 -1.26 -4.36 121.76 117.49 1b2i s ALA 24 Ca 0.30 1.21 0.14 0.00 0.00 0.00 0.00 51.96 53.61 1b2i s ALA 24 Cb -0.20 -3.53 0.84 0.00 0.00 0.00 0.00 23.12 20.23 1b2i s ALA 24 CO 0.19 -1.36 1.26 0.91 0.00 0.00 0.00 175.76 176.76 1b2i n TRP 25 N -1.41 0.00 0.00 0.00 7.02 0.59 -4.68 117.44 118.97 1b2i n TRP 25 Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 1b2i n TRP 25 Cb 0.47 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 1b2i n TRP 25 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1b2i n ASP 26 N -0.92 0.00 -3.86 -0.99 2.03 -1.26 -4.03 116.55 107.52 1b2i n ASP 26 Ca 0.11 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.15 1b2i n ASP 26 Cb 0.05 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.28 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1b2i s SER 27 N -1.00 2.40 0.26 1.67 0.15 -1.26 -4.67 113.70 111.25 1b2i s SER 27 Ca 0.00 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1b2i s SER 27 Cb 0.00 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1b2i s SER 27 CO 0.00 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.26 1b2i n GLN 28 N 4.96 0.00 -3.71 5.44 0.00 -1.26 -5.06 117.38 117.75 1b2i n GLN 28 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 57.00 56.92 1b2i n GLN 28 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.73 1b2i n GLN 28 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1b2i s SER 29 N -4.20 -0.02 0.39 2.61 0.01 -1.26 -4.81 113.70 106.41 1b2i s SER 29 Ca 0.00 -0.11 0.27 0.00 1.31 0.00 0.00 55.95 57.43 1b2i s SER 29 Cb 0.00 0.10 1.36 0.00 0.21 0.00 0.00 66.02 67.70 1b2i s SER 29 CO 0.00 -0.20 1.83 -0.65 0.41 0.00 0.00 173.24 174.63 1b2i h PRO 30 N 2.00 0.00 -2.42 12.44 0.11 -1.92 -3.46 132.00 138.75 1b2i h PRO 30 Ca -0.29 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.90 1b2i h PRO 30 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 1b2i h PRO 30 CO 0.30 0.00 0.44 -1.58 -0.21 0.00 0.00 178.00 176.94 1b2i s HIS 31 N -3.60 -0.39 -0.41 0.65 5.65 -1.26 -5.10 115.29 110.83 1b2i s HIS 31 Ca -0.01 0.24 -0.28 0.00 0.25 0.00 0.00 55.06 55.26 1b2i s HIS 31 Cb 0.08 0.54 -0.02 0.00 -1.18 0.00 0.00 32.58 32.01 1b2i s HIS 31 CO 0.32 -0.60 1.77 0.00 -0.65 0.00 0.00 174.74 175.57 1b2i s ALA 32 N -3.24 2.71 0.25 1.58 0.00 -1.26 -4.74 121.76 117.06 1b2i s ALA 32 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1b2i s ALA 32 Cb -0.01 -4.08 0.01 0.00 0.00 0.00 0.00 23.12 19.04 1b2i s ALA 32 CO -0.10 -2.92 0.05 -2.39 0.00 0.00 0.00 175.76 170.39 1b2i n HIS 33 N 10.73 -3.19 -2.57 0.00 1.44 -1.26 -5.14 115.22 115.23 1b2i n HIS 33 Ca 0.21 -0.10 -0.08 0.00 -2.01 0.00 0.00 57.72 55.74 1b2i n HIS 33 Cb 0.48 -0.03 0.04 0.00 0.12 0.00 0.00 29.99 30.60 1b2i n HIS 33 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1b2i n GLY 34 N 4.63 1.08 3.48 -1.39 0.00 -1.26 -4.73 105.19 106.99 1b2i n GLY 34 Ca 0.01 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 1b2i n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b2i n TYR 36 N -1.81 -2.17 -3.70 1.61 4.01 -1.26 -4.99 117.16 108.85 1b2i n TYR 36 Ca 0.06 0.75 -0.36 0.00 -0.16 0.00 0.00 57.90 58.19 1b2i n TYR 36 Cb 0.23 -4.08 -0.10 0.00 -0.31 0.00 0.00 39.34 35.08 1b2i n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1b2i s ILE 37 N -3.47 5.25 0.64 -0.72 1.01 -1.26 -4.83 121.20 117.83 1b2i s ILE 37 Ca 0.33 0.14 0.36 0.00 0.00 0.00 0.00 60.65 61.48 1b2i s ILE 37 Cb -0.07 -3.44 0.39 0.00 0.01 0.00 0.00 42.46 39.34 1b2i s ILE 37 CO 0.79 0.36 2.21 1.55 0.00 0.00 0.00 174.94 179.85 1b2i h PRO 38 N 7.45 0.00 0.00 2.79 0.13 -1.92 -0.52 132.00 139.92 1b2i h PRO 38 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1b2i h PRO 38 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1b2i h PRO 38 CO 0.66 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.86 1b2i n SER 39 N -3.33 0.00 -0.56 1.44 7.64 -1.26 -0.79 113.62 116.76 1b2i n SER 39 Ca -0.02 0.49 0.06 0.00 1.01 0.00 0.00 58.87 60.41 1b2i n SER 39 Cb 0.19 -0.49 0.09 0.00 -1.01 0.00 0.00 64.21 62.98 1b2i n SER 39 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b2i n LYS 40 N -1.49 1.36 -4.05 1.43 4.01 -0.20 -4.94 118.16 114.28 1b2i n LYS 40 Ca 0.02 -1.50 -0.33 0.00 -0.51 0.00 0.00 58.31 55.99 1b2i n LYS 40 Cb 0.09 -1.26 -0.15 0.00 -0.51 0.00 0.00 35.03 33.20 1b2i n LYS 40 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1b2i s PHE 41 N -1.03 3.11 -0.88 2.13 0.40 0.03 -4.92 117.98 116.83 1b2i s PHE 41 Ca 0.18 -1.97 0.14 0.00 -0.60 0.00 0.00 56.93 54.68 1b2i s PHE 41 Cb 0.11 -1.97 0.60 0.00 0.51 0.00 0.00 43.02 42.28 1b2i s PHE 41 CO 0.16 -0.83 1.44 -0.35 0.70 0.00 0.00 175.22 176.34 1b2i n PRO 42 N 4.54 0.04 0.00 0.24 -0.04 -1.26 -4.70 135.00 133.81 1b2i n PRO 42 Ca -0.16 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1b2i n PRO 42 Cb 0.45 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1b2i n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b2i n ASN 43 N -1.65 -0.73 -2.06 3.54 2.85 -1.26 -5.02 115.26 110.92 1b2i n ASN 43 Ca 0.02 -0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.13 1b2i n ASN 43 Cb 0.15 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.20 1b2i n ASN 43 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1b2i n LYS 44 N -1.09 0.80 0.00 1.20 0.00 -1.26 -4.96 118.16 112.85 1b2i n LYS 44 Ca 0.00 -2.26 0.00 0.00 -0.00 0.00 0.00 58.31 56.05 1b2i n LYS 44 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 35.03 34.61 1b2i n LYS 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1b2i n ASN 45 N -0.26 0.00 -4.32 -5.58 6.94 -1.26 -4.79 115.26 106.00 1b2i n ASN 45 Ca -0.02 0.76 -0.28 0.00 -0.02 0.00 0.00 54.58 55.01 1b2i n ASN 45 Cb 0.92 -0.30 0.26 0.00 -2.36 0.00 0.00 39.78 38.30 1b2i n ASN 45 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b2i s LEU 46 N -2.82 0.42 0.00 -4.53 2.01 -1.26 -4.82 118.68 107.68 1b2i s LEU 46 Ca 0.00 1.36 0.00 0.00 0.01 0.00 0.00 54.13 55.50 1b2i s LEU 46 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 46.19 43.03 1b2i s LEU 46 CO 0.00 -4.44 0.00 1.17 1.01 0.00 0.00 176.35 174.09 1b2i n LYS 47 N -5.06 0.00 0.00 1.70 4.81 -1.26 -5.01 118.16 113.34 1b2i n LYS 47 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1b2i n LYS 47 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1b2i n LYS 47 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1b2i n LYS 48 N 0.00 0.00 0.00 1.64 4.76 -1.26 -4.32 118.16 118.98 1b2i n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1b2i n LYS 48 Cb 0.00 -0.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1b2i n LYS 48 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1b2i n ASN 49 N -0.48 1.96 -4.58 4.39 6.94 -1.26 -0.30 115.26 121.93 1b2i n ASN 49 Ca 0.00 -0.09 -0.48 0.00 -0.02 0.00 0.00 54.58 53.99 1b2i n ASN 49 Cb 0.00 0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 1b2i n ASN 49 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1b2i n TYR 50 N -0.77 1.31 -1.48 -2.53 4.01 -1.26 -4.75 117.16 111.68 1b2i n TYR 50 Ca 0.00 0.68 -0.35 0.00 -0.16 0.00 0.00 57.90 58.06 1b2i n TYR 50 Cb 0.00 -2.28 0.09 0.00 -0.31 0.00 0.00 39.34 36.84 1b2i n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b2i n ARG 52 N -2.53 0.03 -3.11 0.00 5.12 -0.08 -4.34 116.66 111.76 1b2i n ARG 52 Ca 0.14 -0.14 -0.20 0.00 -1.93 0.00 0.00 57.85 55.72 1b2i n ARG 52 Cb 0.49 0.13 -0.03 0.00 -1.16 0.00 0.00 32.46 31.90 1b2i n ARG 52 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1b2i n ASN 53 N -2.29 1.84 -0.18 0.55 4.13 -1.26 -0.77 115.26 117.28 1b2i n ASN 53 Ca 0.00 -3.19 -0.05 0.00 1.68 0.00 0.00 54.58 53.02 1b2i n ASN 53 Cb 0.03 -0.60 0.04 0.00 -1.54 0.00 0.00 39.78 37.71 1b2i n ASN 53 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1b2i h PRO 54 N 2.99 0.62 -0.24 3.52 0.11 -1.97 -0.77 132.00 136.26 1b2i h PRO 54 Ca 0.11 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1b2i h PRO 54 Cb 0.85 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1b2i h PRO 54 CO 0.59 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 1b2i n ASP 55 N -4.79 2.85 -3.64 -2.05 5.75 -1.26 -4.98 116.55 108.43 1b2i n ASP 55 Ca 0.04 -1.90 -0.20 0.00 -0.01 0.00 0.00 54.79 52.72 1b2i n ASP 55 Cb 0.08 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1b2i n ASP 55 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1b2i n ARG 56 N 1.13 -1.50 -1.14 0.11 0.00 -0.30 -4.99 116.66 109.97 1b2i n ARG 56 Ca 0.17 0.91 -0.30 0.00 -0.00 0.00 0.00 57.85 58.63 1b2i n ARG 56 Cb 0.53 -2.99 0.13 0.00 -0.00 0.00 0.00 32.46 30.12 1b2i n ARG 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1b2i s GLU 57 N -4.53 1.58 0.15 2.89 2.56 -1.26 -4.96 118.70 115.13 1b2i s GLU 57 Ca 0.00 1.06 -0.18 0.00 0.00 0.00 0.00 54.97 55.85 1b2i s GLU 57 Cb -0.00 -1.83 0.06 0.00 2.00 0.00 0.00 34.13 34.36 1b2i s GLU 57 CO 0.87 -2.09 1.67 1.25 -0.56 0.00 0.00 175.26 176.40 1b2i h LEU 58 N -1.45 -0.38 -9.20 2.70 6.46 -1.94 -3.41 115.31 108.10 1b2i h LEU 58 Ca -0.47 0.11 -0.67 0.00 -0.12 0.00 0.00 57.88 56.73 1b2i h LEU 58 Cb 1.26 0.23 -0.17 0.00 -0.73 0.00 0.00 40.66 41.25 1b2i h LEU 58 CO 0.51 -0.14 -0.73 -0.60 -0.62 0.00 0.00 178.44 176.87 1b2i s ARG 59 N -6.20 2.34 0.25 1.25 3.52 -1.26 -3.64 118.95 115.21 1b2i s ARG 59 Ca -0.14 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.30 1b2i s ARG 59 Cb 0.13 -2.39 -0.09 0.00 -1.56 0.00 0.00 34.95 31.04 1b2i s ARG 59 CO 0.70 0.56 1.25 -1.25 -0.81 0.00 0.00 175.30 175.74 1b2i s PRO 61 N -1.74 4.45 0.40 5.12 0.04 -1.15 -4.80 135.00 137.32 1b2i s PRO 61 Ca 0.19 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.28 1b2i s PRO 61 Cb -0.11 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 1b2i s PRO 61 CO 0.10 -0.11 0.05 1.67 0.04 0.00 0.00 177.00 178.75 1b2i s TRP 62 N -0.50 2.03 0.21 0.56 1.48 0.05 -0.20 118.94 122.57 1b2i s TRP 62 Ca 0.52 -0.97 -0.12 0.00 -1.06 0.00 0.00 56.10 54.47 1b2i s TRP 62 Cb -0.36 -1.43 -0.00 0.00 -1.16 0.00 0.00 33.47 30.52 1b2i s TRP 62 CO 0.42 0.08 0.42 0.00 -4.06 0.00 0.00 176.95 173.81 1b2i s PHE 64 N -3.98 3.88 0.74 0.00 0.08 -1.26 -1.56 117.98 115.88 1b2i s PHE 64 Ca 0.19 1.82 -0.04 0.00 0.12 0.00 0.00 56.93 59.01 1b2i s PHE 64 Cb 0.01 -3.00 0.11 0.00 -0.57 0.00 0.00 43.02 39.58 1b2i s PHE 64 CO 0.04 0.33 1.02 0.95 -0.10 0.00 0.00 175.22 177.46 1b2i s THR 65 N -0.53 2.21 -0.95 0.64 -4.23 0.08 -0.43 115.64 112.43 1b2i s THR 65 Ca 0.43 -0.44 0.25 0.00 -1.18 0.00 0.00 61.69 60.76 1b2i s THR 65 Cb -0.24 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 70.88 1b2i s THR 65 CO 0.30 0.00 1.48 0.35 -0.54 0.00 0.00 174.62 176.21 1b2i n THR 66 N -2.94 0.05 -2.84 3.99 -2.24 -1.24 -4.16 114.28 104.90 1b2i n THR 66 Ca 0.13 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 1b2i n THR 66 Cb 0.60 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 1b2i n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b2i s ASP 67 N -3.18 6.93 0.00 3.42 2.15 -1.26 -4.93 116.67 119.80 1b2i s ASP 67 Ca 0.11 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.25 1b2i s ASP 67 Cb 0.17 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1b2i s ASP 67 CO 0.68 -0.51 0.73 -2.65 -0.17 0.00 0.00 175.17 173.25 1b2i n PRO 68 N 5.80 0.00 -0.08 4.34 -0.02 -1.26 -1.04 135.00 142.74 1b2i n PRO 68 Ca 0.07 0.25 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 1b2i n PRO 68 Cb 0.48 -1.52 0.08 0.00 -0.02 0.00 0.00 33.50 32.51 1b2i n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1b2i n ASN 69 N -1.23 2.28 -3.60 2.55 5.03 -1.26 -4.80 115.26 114.23 1b2i n ASN 69 Ca 0.00 -1.78 -0.29 0.00 0.87 0.00 0.00 54.58 53.37 1b2i n ASN 69 Cb 0.02 -0.10 -0.14 0.00 -1.02 0.00 0.00 39.78 38.54 1b2i n ASN 69 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1b2i s LYS 70 N -0.87 0.64 0.00 3.52 2.47 -0.21 -5.05 119.74 120.23 1b2i s LYS 70 Ca 0.13 -1.19 0.00 0.00 -1.56 0.00 0.00 55.97 53.35 1b2i s LYS 70 Cb 0.07 -1.63 0.00 0.00 -1.46 0.00 0.00 37.83 34.81 1b2i s LYS 70 CO 0.10 -1.10 0.34 -2.13 0.16 0.00 0.00 175.35 172.72 1b2i n ARG 71 N 4.45 0.00 -3.71 4.03 0.00 -1.26 -3.49 116.66 116.69 1b2i n ARG 71 Ca 0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.57 1b2i n ARG 71 Cb 0.39 -0.84 -0.04 0.00 0.00 0.00 0.00 32.46 31.97 1b2i n ARG 71 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1b2i s TRP 72 N -0.68 3.48 -0.17 -0.14 1.48 -1.26 -0.74 118.94 120.91 1b2i s TRP 72 Ca 0.00 0.50 -0.22 0.00 -1.06 0.00 0.00 56.10 55.33 1b2i s TRP 72 Cb 0.00 -1.96 0.06 0.00 -1.16 0.00 0.00 33.47 30.40 1b2i s TRP 72 CO 0.00 0.45 0.58 -2.00 -4.06 0.00 0.00 176.95 171.92 1b2i s GLU 73 N -2.68 0.75 0.36 3.25 2.12 -0.60 -4.88 118.70 117.02 1b2i s GLU 73 Ca 0.40 0.62 -0.27 0.00 0.36 0.00 0.00 54.97 56.08 1b2i s GLU 73 Cb -0.12 0.36 -0.09 0.00 0.26 0.00 0.00 34.13 34.54 1b2i s GLU 73 CO 0.25 -0.14 1.25 -0.51 -0.54 0.00 0.00 175.26 175.57 1b2i s LEU 74 N -0.11 4.33 0.55 2.70 1.43 -1.26 -2.13 118.68 124.20 1b2i s LEU 74 Ca -0.03 2.54 0.05 0.00 -1.03 0.00 0.00 54.13 55.66 1b2i s LEU 74 Cb -0.03 -3.81 0.06 0.00 0.03 0.00 0.00 46.19 42.44 1b2i s LEU 74 CO 0.03 -0.60 0.77 0.00 0.23 0.00 0.00 176.35 176.77 1b2i s ASP 76 N -4.52 3.39 -0.02 0.00 -1.08 -1.05 -4.45 116.67 108.95 1b2i s ASP 76 Ca 0.59 -0.88 0.04 0.00 -0.52 0.00 0.00 52.55 51.78 1b2i s ASP 76 Cb -0.08 -1.24 -0.03 0.00 -1.46 0.00 0.00 42.92 40.11 1b2i s ASP 76 CO 0.38 -0.14 -0.14 -0.63 0.52 0.00 0.00 175.17 175.16 1b2i s ILE 77 N 1.39 3.07 0.13 4.11 1.09 -1.26 -4.79 121.20 124.95 1b2i s ILE 77 Ca -0.01 -0.83 -0.31 0.00 -1.10 0.00 0.00 60.65 58.39 1b2i s ILE 77 Cb -0.16 -2.24 -0.10 0.00 -1.06 0.00 0.00 42.46 38.89 1b2i s ILE 77 CO -0.08 0.51 1.80 -2.16 -0.10 0.00 0.00 174.94 174.91 1b2i s PRO 78 N -0.98 4.14 0.58 2.79 0.04 -1.26 -4.59 135.00 135.72 1b2i s PRO 78 Ca 0.13 2.57 -0.20 0.00 0.04 0.00 0.00 61.00 63.54 1b2i s PRO 78 Cb -0.11 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 1b2i s PRO 78 CO 0.02 -0.82 1.28 0.50 0.04 0.00 0.00 177.00 178.02 1b2i s ARG 79 N 2.54 2.95 -1.16 4.56 3.52 -1.26 -0.28 118.95 129.82 1b2i s ARG 79 Ca 0.80 2.02 -0.14 0.00 -0.13 0.00 0.00 55.73 58.28 1b2i s ARG 79 Cb -0.46 -2.04 -0.06 0.00 -1.56 0.00 0.00 34.95 30.83 1b2i s ARG 79 CO 0.35 -1.27 2.24 0.00 -0.81 0.00 0.00 175.30 175.81