#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2i s SER -3 N 0.00 -0.15 -0.33 3.42 1.04 -1.26 -4.99 113.70 111.43 1b2i s SER -3 Ca 0.00 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1b2i s SER -3 Cb 0.00 0.49 0.10 0.00 0.10 0.00 0.00 66.02 66.70 1b2i s SER -3 CO 0.00 -0.91 0.04 -1.83 0.98 0.00 0.00 173.24 171.52 1b2i s GLU -2 N -3.11 1.43 0.25 4.02 -1.05 -0.45 -4.97 118.70 114.83 1b2i s GLU -2 Ca 0.14 -1.69 0.11 0.00 -0.15 0.00 0.00 54.97 53.38 1b2i s GLU -2 Cb -0.01 -2.98 0.25 0.00 -0.44 0.00 0.00 34.13 30.95 1b2i s GLU -2 CO 0.03 -0.90 1.54 0.93 0.95 0.00 0.00 175.26 177.81 1b2i h GLU -1 N 7.71 0.00 -6.81 -4.83 4.39 -1.97 -3.40 114.58 109.68 1b2i h GLU -1 Ca -0.07 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.95 1b2i h GLU -1 Cb 1.02 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.44 1b2i h GLU -1 CO 0.50 0.67 -0.87 0.00 -1.16 0.00 0.00 179.01 178.15 1b2i s MET 2 N -1.89 1.63 0.40 0.00 -1.94 -0.62 -4.69 119.30 112.19 1b2i s MET 2 Ca 0.13 -1.77 0.20 0.00 -1.71 0.00 0.00 55.69 52.54 1b2i s MET 2 Cb -0.10 -1.56 0.79 0.00 2.01 0.00 0.00 34.83 35.96 1b2i s MET 2 CO 0.05 0.23 1.78 0.45 -0.01 0.00 0.00 175.02 177.52 1b2i h HIS 3 N 2.27 0.00 0.00 -0.03 3.86 -1.92 0.24 115.15 119.58 1b2i h HIS 3 Ca -0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1b2i h HIS 3 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1b2i h HIS 3 CO 0.77 0.32 0.00 0.41 0.86 0.00 0.00 177.93 180.29 1b2i n GLY 4 N 0.12 0.89 0.10 2.45 0.00 -1.26 -4.90 105.19 102.59 1b2i n GLY 4 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1b2i n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b2i n SER 5 N 0.00 1.89 0.00 1.61 3.41 -1.26 -4.42 113.62 114.84 1b2i n SER 5 Ca 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1b2i n SER 5 Cb 0.00 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1b2i n SER 5 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b2i n GLY 6 N 1.45 0.81 0.37 5.00 0.00 -1.26 -2.99 105.19 108.56 1b2i n GLY 6 Ca -0.27 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.25 1b2i n GLY 6 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1b2i h GLU 7 N 0.00 0.69 -0.48 1.61 4.39 -1.93 0.77 114.58 119.63 1b2i h GLU 7 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1b2i h GLU 7 Cb 0.30 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1b2i h GLU 7 CO 0.00 0.45 0.00 -1.71 -1.16 0.00 0.00 179.01 176.59 1b2i n ASN 8 N -4.53 3.29 -4.66 1.42 5.15 -1.26 -4.76 115.26 109.91 1b2i n ASN 8 Ca 0.15 -1.99 -0.42 0.00 -0.60 0.00 0.00 54.58 51.72 1b2i n ASN 8 Cb 0.40 -0.32 -0.03 0.00 -0.53 0.00 0.00 39.78 39.30 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 -1.01 1.89 -0.01 1.20 5.04 0.26 -4.75 117.35 119.98 1b2i s TYR 9 Ca 0.32 0.12 -0.07 0.00 -2.44 0.00 0.00 57.07 55.00 1b2i s TYR 9 Cb 0.17 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1b2i s TYR 9 CO 0.22 -4.05 0.15 0.16 -1.34 0.00 0.00 175.55 170.68 1b2i s ASP 10 N 3.53 -0.02 0.00 4.32 1.47 -1.26 -4.71 116.67 120.00 1b2i s ASP 10 Ca 0.75 -0.09 0.00 0.00 1.18 0.00 0.00 52.55 54.39 1b2i s ASP 10 Cb -0.34 0.24 0.00 0.00 -0.34 0.00 0.00 42.92 42.47 1b2i s ASP 10 CO 0.31 -0.31 0.00 0.61 0.68 0.00 0.00 175.17 176.46 1b2i n GLY 11 N 1.76 -2.21 0.00 2.12 0.00 -1.26 -1.33 105.19 104.27 1b2i n GLY 11 Ca -0.21 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 0.70 -2.54 1.61 5.02 -1.26 -5.05 118.16 116.63 1b2i n LYS 12 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1b2i n LYS 12 Cb 0.00 -0.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.90 1b2i n LYS 12 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b2i s ILE 13 N -0.32 4.41 0.00 -0.18 1.09 -1.26 -4.86 121.20 120.08 1b2i s ILE 13 Ca 0.00 1.73 0.14 0.00 -1.10 0.00 0.00 60.65 61.41 1b2i s ILE 13 Cb 0.00 -4.11 0.23 0.00 -1.06 0.00 0.00 42.46 37.52 1b2i s ILE 13 CO 0.00 0.07 1.05 -0.24 -0.10 0.00 0.00 174.94 175.72 1b2i n SER 14 N 4.50 0.34 -4.56 3.58 2.88 -1.26 -3.34 113.62 115.76 1b2i n SER 14 Ca 0.09 -1.93 -0.36 0.00 -1.33 0.00 0.00 58.87 55.34 1b2i n SER 14 Cb 0.48 -0.14 -0.11 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.00 3.86 0.21 -1.46 2.36 -1.26 -0.72 119.74 122.74 1b2i s LYS 15 Ca 0.18 -0.38 -0.30 0.00 -2.55 0.00 0.00 55.97 52.92 1b2i s LYS 15 Cb 0.21 -3.40 -0.09 0.00 -1.05 0.00 0.00 37.83 33.49 1b2i s LYS 15 CO -0.09 -0.03 1.36 0.95 1.55 0.00 0.00 175.35 179.09 1b2i s THR 16 N 1.25 3.01 0.40 3.43 -4.23 -0.26 -2.63 115.64 116.62 1b2i s THR 16 Ca 0.06 0.84 0.35 0.00 -1.18 0.00 0.00 61.69 61.75 1b2i s THR 16 Cb -0.14 -3.53 0.52 0.00 1.34 0.00 0.00 72.50 70.68 1b2i s THR 16 CO 0.05 0.13 1.23 1.15 -0.54 0.00 0.00 174.62 176.63 1b2i n MET 17 N 2.57 -0.01 0.05 3.99 0.00 0.10 -3.79 117.12 120.03 1b2i n MET 17 Ca 0.07 0.90 0.00 0.00 0.00 0.00 0.00 57.70 58.67 1b2i n MET 17 Cb 0.42 -1.96 0.00 0.00 0.00 0.00 0.00 33.22 31.68 1b2i n MET 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1b2i n SER 18 N -3.79 -0.06 0.00 3.17 7.64 -1.26 -4.87 113.62 114.45 1b2i n SER 18 Ca 0.34 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1b2i n SER 18 Cb 1.46 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 1b2i n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b2i n GLY 19 N 1.52 0.00 0.00 0.23 0.00 -1.25 -4.95 105.19 100.74 1b2i n GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b2i n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b2i n LEU 20 N 0.00 0.00 -4.82 0.99 4.32 -1.26 -4.98 117.00 111.25 1b2i n LEU 20 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.65 1b2i n LEU 20 Cb 0.00 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.73 1b2i n LEU 20 CO 0.00 0.00 0.55 -0.70 -1.22 0.00 0.00 177.39 176.02 1b2i s GLU 21 N -0.63 4.24 0.46 3.23 2.56 -1.26 -1.10 118.70 126.21 1b2i s GLU 21 Ca 0.00 1.00 -0.21 0.00 0.00 0.00 0.00 54.97 55.76 1b2i s GLU 21 Cb 0.00 -2.47 -0.09 0.00 2.00 0.00 0.00 34.13 33.56 1b2i s GLU 21 CO 0.00 0.15 1.00 0.00 -0.56 0.00 0.00 175.26 175.85 1b2i s GLN 23 N -3.21 4.22 0.47 0.00 -0.44 0.47 -4.81 119.66 116.37 1b2i s GLN 23 Ca 0.65 0.58 -0.24 0.00 -2.50 0.00 0.00 55.36 53.84 1b2i s GLN 23 Cb -0.14 -3.33 -0.08 0.00 -1.64 0.00 0.00 33.01 27.83 1b2i s GLN 23 CO 0.17 0.42 1.38 0.00 0.50 0.00 0.00 175.29 177.76 1b2i n ALA 24 N 2.66 1.76 0.25 1.58 0.00 -1.26 -4.36 120.51 121.15 1b2i n ALA 24 Ca -0.09 0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1b2i n ALA 24 Cb 0.51 -2.36 0.49 0.00 0.00 0.00 0.00 19.45 18.10 1b2i n ALA 24 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1b2i n TRP 25 N -0.42 0.67 -0.09 0.00 7.02 0.38 -4.77 117.44 120.23 1b2i n TRP 25 Ca 0.07 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.86 1b2i n TRP 25 Cb 0.42 -1.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.31 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 -2.16 0.00 -4.39 -0.99 -0.08 -1.26 -4.08 116.55 103.58 1b2i n ASP 26 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 1b2i n ASP 26 Cb 0.11 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.45 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1b2i s SER 27 N -1.00 5.53 0.00 1.67 0.15 -1.26 -4.74 113.70 114.05 1b2i s SER 27 Ca 0.00 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1b2i s SER 27 Cb 0.00 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1b2i s SER 27 CO 0.00 -0.27 0.00 0.00 1.20 0.00 0.00 173.24 174.17 1b2i n GLN 28 N 4.96 0.00 0.00 5.44 -0.00 -1.26 -5.06 117.38 121.45 1b2i n GLN 28 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 1b2i n GLN 28 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.72 1b2i n GLN 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1b2i n SER 29 N -1.05 0.00 0.11 2.61 3.41 -1.26 -4.86 113.62 112.58 1b2i n SER 29 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1b2i n SER 29 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1b2i n SER 29 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1b2i h PRO 30 N 0.00 -0.27 -4.80 4.33 0.11 -1.85 -3.48 132.00 126.03 1b2i h PRO 30 Ca 0.00 0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.86 1b2i h PRO 30 Cb 0.00 0.06 -0.15 0.00 0.11 0.00 0.00 31.00 31.03 1b2i h PRO 30 CO 0.00 -0.18 -0.69 -1.01 -0.21 0.00 0.00 178.00 175.91 1b2i s HIS 31 N -3.53 1.08 -1.16 0.65 3.76 -1.26 -5.05 115.29 109.78 1b2i s HIS 31 Ca -0.04 -0.90 -0.20 0.00 -0.15 0.00 0.00 55.06 53.77 1b2i s HIS 31 Cb 0.00 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 1b2i s HIS 31 CO 0.12 -0.11 1.93 0.00 -0.85 0.00 0.00 174.74 175.84 1b2i n ALA 32 N -0.14 3.27 -1.06 -1.40 0.00 -1.26 -4.73 120.51 115.19 1b2i n ALA 32 Ca -0.10 -3.45 -0.29 0.00 0.00 0.00 0.00 53.44 49.60 1b2i n ALA 32 Cb 0.61 -3.56 0.21 0.00 0.00 0.00 0.00 19.45 16.71 1b2i n ALA 32 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1b2i s HIS 33 N 6.46 1.39 1.01 0.00 -3.43 -1.26 -5.04 115.29 114.41 1b2i s HIS 33 Ca 0.58 0.81 -0.14 0.00 -0.80 0.00 0.00 55.06 55.50 1b2i s HIS 33 Cb 0.07 -3.30 0.19 0.00 -1.43 0.00 0.00 32.58 28.11 1b2i s HIS 33 CO 0.08 -3.42 1.15 0.20 -2.00 0.00 0.00 174.74 170.75 1b2i s GLY 34 N -3.52 1.60 -0.64 -1.38 0.00 -1.26 -4.52 107.32 97.60 1b2i s GLY 34 Ca 0.68 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 44.67 1b2i s GLY 34 CO 0.58 -0.01 0.56 -1.72 0.00 0.00 0.00 173.10 172.50 1b2i n TYR 36 N -4.09 -1.46 -3.47 1.90 4.01 -1.26 -5.02 117.16 107.76 1b2i n TYR 36 Ca 0.09 0.52 -0.43 0.00 -0.16 0.00 0.00 57.90 57.93 1b2i n TYR 36 Cb 0.59 -3.53 -0.10 0.00 -0.31 0.00 0.00 39.34 35.99 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 -3.23 5.22 0.58 -0.72 1.01 -1.26 -4.69 121.20 118.12 1b2i s ILE 37 Ca 0.24 -0.64 0.29 0.00 0.00 0.00 0.00 60.65 60.54 1b2i s ILE 37 Cb -0.03 -3.89 0.39 0.00 0.01 0.00 0.00 42.46 38.94 1b2i s ILE 37 CO 0.44 -0.28 1.89 1.55 0.00 0.00 0.00 174.94 178.54 1b2i h PRO 38 N 8.61 0.00 0.00 2.79 0.13 -1.92 -0.27 132.00 141.34 1b2i h PRO 38 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1b2i h PRO 38 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1b2i h PRO 38 CO 0.72 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.36 1b2i n SER 39 N -3.77 0.00 -0.57 1.44 3.41 -1.26 -1.05 113.62 111.82 1b2i n SER 39 Ca 0.10 0.25 0.06 0.00 -0.26 0.00 0.00 58.87 59.01 1b2i n SER 39 Cb 0.71 -0.34 0.12 0.00 -0.26 0.00 0.00 64.21 64.44 1b2i n SER 39 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b2i n LYS 40 N -1.34 2.12 -4.05 4.33 4.01 -0.11 -4.93 118.16 118.20 1b2i n LYS 40 Ca 0.03 -1.76 -0.32 0.00 -0.51 0.00 0.00 58.31 55.76 1b2i n LYS 40 Cb 0.07 -1.25 -0.16 0.00 -0.51 0.00 0.00 35.03 33.19 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 -0.97 2.68 -1.07 2.13 0.40 -0.22 -4.93 117.98 116.00 1b2i s PHE 41 Ca 0.20 -1.72 0.12 0.00 -0.60 0.00 0.00 56.93 54.93 1b2i s PHE 41 Cb 0.11 -1.78 0.55 0.00 0.51 0.00 0.00 43.02 42.41 1b2i s PHE 41 CO 0.15 -0.78 1.39 -0.35 0.70 0.00 0.00 175.22 176.32 1b2i n PRO 42 N 4.62 0.03 0.00 0.24 -0.04 -1.26 -4.73 135.00 133.86 1b2i n PRO 42 Ca -0.17 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1b2i n PRO 42 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.47 -0.76 -2.43 3.54 2.85 -1.26 -5.02 115.26 110.71 1b2i n ASN 43 Ca 0.03 -0.33 -0.01 0.00 -0.11 0.00 0.00 54.58 54.17 1b2i n ASN 43 Cb 0.14 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.22 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 1.22 0.12 1.20 0.00 -1.26 -4.93 118.16 113.42 1b2i n LYS 44 Ca 0.00 -2.44 -0.05 0.00 -0.00 0.00 0.00 58.31 55.81 1b2i n LYS 44 Cb 0.00 -0.63 -0.03 0.00 -0.00 0.00 0.00 35.03 34.37 1b2i n LYS 44 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 1b2i h ASN 45 N 1.71 -0.30 -4.30 -5.58 -1.07 -1.95 -3.45 115.58 100.64 1b2i h ASN 45 Ca -0.27 0.01 -0.50 0.00 0.07 0.00 0.00 56.30 55.60 1b2i h ASN 45 Cb 1.39 0.08 0.08 0.00 -2.07 0.00 0.00 38.32 37.79 1b2i h ASN 45 CO 0.03 -0.05 0.38 -0.76 0.07 0.00 0.00 177.43 177.09 1b2i s LEU 46 N -7.06 3.26 0.00 6.14 2.01 -1.26 -4.95 118.68 116.83 1b2i s LEU 46 Ca -0.05 1.64 0.00 0.00 0.01 0.00 0.00 54.13 55.73 1b2i s LEU 46 Cb 0.01 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 41.70 1b2i s LEU 46 CO 0.16 -1.26 0.00 1.17 1.01 0.00 0.00 176.35 177.43 1b2i n LYS 47 N -2.72 0.01 0.00 1.70 4.81 -1.26 -4.93 118.16 115.76 1b2i n LYS 47 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1b2i n LYS 47 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 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 4.01 -1.26 -4.19 118.16 118.36 1b2i n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1b2i n LYS 48 Cb 0.00 -0.43 0.00 0.00 -0.51 0.00 0.00 35.03 34.09 1b2i n LYS 48 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1b2i n ASN 49 N -0.02 0.25 -4.49 4.39 6.94 -1.26 -0.47 115.26 120.59 1b2i n ASN 49 Ca 0.00 -0.59 -0.47 0.00 -0.02 0.00 0.00 54.58 53.50 1b2i n ASN 49 Cb 0.00 0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.77 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 -0.38 0.38 -1.86 -2.53 4.01 -1.26 -4.76 117.16 110.76 1b2i n TYR 50 Ca 0.00 0.85 -0.42 0.00 -0.16 0.00 0.00 57.90 58.17 1b2i n TYR 50 Cb 0.04 -2.10 -0.03 0.00 -0.31 0.00 0.00 39.34 36.94 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 3.60 1.09 -2.96 0.00 5.12 0.62 -4.70 116.66 119.44 1b2i n ARG 52 Ca 0.13 -1.38 -0.17 0.00 -1.93 0.00 0.00 57.85 54.50 1b2i n ARG 52 Cb 0.38 0.59 -0.01 0.00 -1.16 0.00 0.00 32.46 32.26 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 -1.55 1.71 -0.26 0.55 4.13 -1.26 -0.92 115.26 117.65 1b2i n ASN 53 Ca -0.05 -3.05 -0.01 0.00 1.68 0.00 0.00 54.58 53.15 1b2i n ASN 53 Cb 0.24 -0.58 0.11 0.00 -1.54 0.00 0.00 39.78 38.01 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 2.97 0.80 -0.64 3.52 0.11 -1.96 0.32 132.00 137.13 1b2i h PRO 54 Ca 0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1b2i h PRO 54 Cb 0.97 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1b2i h PRO 54 CO 0.56 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.48 1b2i n ASP 55 N -4.70 3.61 -3.55 -2.05 5.75 -1.26 -4.97 116.55 109.38 1b2i n ASP 55 Ca 0.09 -1.99 -0.21 0.00 -0.01 0.00 0.00 54.79 52.67 1b2i n ASP 55 Cb 0.15 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 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 1.49 -0.97 -1.47 0.11 0.00 0.10 -4.98 116.66 110.95 1b2i n ARG 56 Ca 0.22 0.39 -0.29 0.00 -0.00 0.00 0.00 57.85 58.18 1b2i n ARG 56 Cb 0.58 -1.55 0.18 0.00 -0.00 0.00 0.00 32.46 31.66 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 -4.68 0.33 0.00 2.89 2.12 -1.26 -5.03 118.70 113.06 1b2i s GLU 57 Ca 0.07 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.46 1b2i s GLU 57 Cb -0.04 -1.77 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1b2i s GLU 57 CO 0.65 -2.70 0.46 -0.11 -0.54 0.00 0.00 175.26 173.02 1b2i n LEU 58 N -4.07 0.60 -4.74 2.70 7.94 -1.26 -4.71 117.00 113.46 1b2i n LEU 58 Ca 0.10 0.50 -0.41 0.00 -1.11 0.00 0.00 56.01 55.10 1b2i n LEU 58 Cb 0.59 -0.15 -0.04 0.00 0.53 0.00 0.00 43.42 44.36 1b2i n LEU 58 CO 0.51 -0.15 0.87 -0.60 -1.11 0.00 0.00 177.39 176.92 1b2i s ARG 59 N -1.22 4.51 0.20 1.96 3.52 -1.26 -4.17 118.95 122.49 1b2i s ARG 59 Ca 0.00 1.88 -0.31 0.00 -0.13 0.00 0.00 55.73 57.17 1b2i s ARG 59 Cb 0.00 -3.22 -0.10 0.00 -1.56 0.00 0.00 34.95 30.07 1b2i s ARG 59 CO 0.00 -0.04 1.46 -1.25 -0.81 0.00 0.00 175.30 174.66 1b2i s PRO 61 N -0.55 4.27 0.31 5.12 0.04 -1.16 -4.74 135.00 138.29 1b2i s PRO 61 Ca 0.51 2.26 0.06 0.00 0.04 0.00 0.00 61.00 63.87 1b2i s PRO 61 Cb -0.33 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 1b2i s PRO 61 CO 0.38 -0.46 -0.03 1.67 0.04 0.00 0.00 177.00 178.61 1b2i s TRP 62 N 0.50 2.05 0.19 0.56 1.48 -0.09 -0.31 118.94 123.32 1b2i s TRP 62 Ca 0.63 -0.73 -0.14 0.00 -1.06 0.00 0.00 56.10 54.80 1b2i s TRP 62 Cb -0.41 -1.25 0.01 0.00 -1.16 0.00 0.00 33.47 30.66 1b2i s TRP 62 CO 0.37 0.27 0.43 0.00 -4.06 0.00 0.00 176.95 173.95 1b2i s PHE 64 N -3.93 2.97 0.41 0.00 0.08 -1.26 -1.34 117.98 114.91 1b2i s PHE 64 Ca 0.14 1.54 0.08 0.00 0.12 0.00 0.00 56.93 58.81 1b2i s PHE 64 Cb 0.01 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 1b2i s PHE 64 CO -0.00 -1.04 0.53 0.95 -0.10 0.00 0.00 175.22 175.56 1b2i s THR 65 N -2.22 3.06 -0.76 0.64 -4.23 0.15 -0.39 115.64 111.89 1b2i s THR 65 Ca 0.66 -1.05 0.26 0.00 -1.18 0.00 0.00 61.69 60.37 1b2i s THR 65 Cb -0.17 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 70.90 1b2i s THR 65 CO 0.30 -0.02 1.79 0.35 -0.54 0.00 0.00 174.62 176.50 1b2i n THR 66 N -1.78 0.52 -2.93 3.99 -2.24 -1.19 -4.36 114.28 106.28 1b2i n THR 66 Ca 0.06 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 1b2i n THR 66 Cb 0.59 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 -4.13 6.93 0.00 3.42 2.15 -1.26 -4.54 116.67 119.23 1b2i s ASP 67 Ca 0.10 1.13 0.01 0.00 0.43 0.00 0.00 52.55 54.23 1b2i s ASP 67 Cb 0.13 -2.44 0.06 0.00 -0.30 0.00 0.00 42.92 40.38 1b2i s ASP 67 CO 0.54 -0.36 0.93 -2.65 -0.17 0.00 0.00 175.17 173.46 1b2i n PRO 68 N 5.07 0.01 -0.13 4.34 -0.02 -1.26 -2.58 135.00 140.43 1b2i n PRO 68 Ca 0.03 0.36 -0.23 0.00 -2.02 0.00 0.00 63.50 61.64 1b2i n PRO 68 Cb 0.49 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.37 1.98 -4.45 2.55 3.02 -1.26 -4.60 115.26 111.12 1b2i n ASN 69 Ca 0.01 0.08 -0.44 0.00 -0.03 0.00 0.00 54.58 54.19 1b2i n ASN 69 Cb 0.01 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.57 1b2i n ASN 69 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1b2i s LYS 70 N -2.51 3.98 0.00 3.52 2.47 -1.07 -4.88 119.74 121.26 1b2i s LYS 70 Ca -0.36 -2.43 0.00 0.00 -1.56 0.00 0.00 55.97 51.62 1b2i s LYS 70 Cb 0.11 -5.00 0.00 0.00 -1.46 0.00 0.00 37.83 31.48 1b2i s LYS 70 CO 0.57 -1.74 0.60 -2.13 0.16 0.00 0.00 175.35 172.81 1b2i n ARG 71 N 5.68 0.00 -4.00 4.03 0.63 -1.26 -3.72 116.66 118.02 1b2i n ARG 71 Ca 0.33 0.32 -0.24 0.00 -0.92 0.00 0.00 57.85 57.34 1b2i n ARG 71 Cb 0.44 -1.10 -0.03 0.00 0.45 0.00 0.00 32.46 32.21 1b2i n ARG 71 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1b2i s TRP 72 N -1.41 3.36 -0.16 -0.14 1.48 -1.26 -0.67 118.94 120.14 1b2i s TRP 72 Ca 0.00 0.03 -0.22 0.00 -1.06 0.00 0.00 56.10 54.86 1b2i s TRP 72 Cb 0.00 -1.58 0.06 0.00 -1.16 0.00 0.00 33.47 30.78 1b2i s TRP 72 CO 0.00 0.50 0.57 -2.00 -4.06 0.00 0.00 176.95 171.96 1b2i s GLU 73 N -3.44 0.75 0.36 3.25 2.56 -0.45 -4.85 118.70 116.88 1b2i s GLU 73 Ca 0.33 0.59 -0.26 0.00 0.00 0.00 0.00 54.97 55.63 1b2i s GLU 73 Cb -0.10 0.36 -0.09 0.00 2.00 0.00 0.00 34.13 36.30 1b2i s GLU 73 CO 0.27 -0.14 1.11 -0.51 -0.56 0.00 0.00 175.26 175.44 1b2i s LEU 74 N -0.16 4.29 0.37 2.70 1.43 -1.26 -1.68 118.68 124.37 1b2i s LEU 74 Ca -0.04 2.24 0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1b2i s LEU 74 Cb -0.03 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1b2i s LEU 74 CO 0.03 -0.46 0.57 0.00 0.23 0.00 0.00 176.35 176.73 1b2i s ASP 76 N -4.08 5.46 0.02 0.00 2.15 -1.08 -4.55 116.67 114.59 1b2i s ASP 76 Ca 0.42 -0.98 0.05 0.00 0.43 0.00 0.00 52.55 52.47 1b2i s ASP 76 Cb -0.10 -1.94 -0.03 0.00 -0.30 0.00 0.00 42.92 40.55 1b2i s ASP 76 CO 0.36 -0.32 -0.11 -0.63 -0.17 0.00 0.00 175.17 174.30 1b2i s ILE 77 N 1.49 3.28 -0.10 4.11 1.09 -1.26 -4.82 121.20 124.99 1b2i s ILE 77 Ca 0.01 -0.94 -0.30 0.00 -1.10 0.00 0.00 60.65 58.32 1b2i s ILE 77 Cb -0.19 -2.41 -0.04 0.00 -1.06 0.00 0.00 42.46 38.76 1b2i s ILE 77 CO 0.04 0.37 1.47 -2.16 -0.10 0.00 0.00 174.94 174.57 1b2i s PRO 78 N -1.42 4.21 0.14 2.79 0.04 -1.26 -4.93 135.00 134.57 1b2i s PRO 78 Ca 0.16 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1b2i s PRO 78 Cb -0.11 -3.87 -0.07 0.00 0.04 0.00 0.00 34.50 30.49 1b2i s PRO 78 CO 0.07 -0.77 1.13 0.50 0.04 0.00 0.00 177.00 177.96 1b2i s ARG 79 N 3.72 4.54 -0.30 4.56 3.00 -1.26 -1.58 118.95 131.63 1b2i s ARG 79 Ca 0.65 1.73 -0.28 0.00 -1.00 0.00 0.00 55.73 56.83 1b2i s ARG 79 Cb -0.28 -3.30 -0.05 0.00 0.00 0.00 0.00 34.95 31.32 1b2i s ARG 79 CO 0.23 -0.03 2.19 0.00 0.00 0.00 0.00 175.30 177.69