#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 1.77 -4.23 8.00 7.64 -1.26 -2.83 113.62 122.71 1b2i n SER -3 Ca 0.00 1.09 -0.36 0.00 1.01 0.00 0.00 58.87 60.61 1b2i n SER -3 Cb 0.00 -1.01 -0.06 0.00 -1.01 0.00 0.00 64.21 62.13 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 4.96 -0.78 -0.03 1.43 4.71 -1.26 -2.45 120.64 127.23 1b2i n GLU -2 Ca 0.30 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.55 1b2i n GLU -2 Cb 0.04 -3.26 0.00 0.00 -1.01 0.00 0.00 31.44 27.21 1b2i n GLU -2 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1b2i n GLU -1 N -4.74 0.70 -3.64 3.49 2.13 -1.13 -4.57 120.64 112.88 1b2i n GLU -1 Ca -0.26 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.48 1b2i n GLU -1 Cb 0.65 -1.15 -0.07 0.00 0.27 0.00 0.00 31.44 31.14 1b2i n GLU -1 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1b2i s MET 2 N 0.53 1.67 -0.15 0.00 -1.94 -1.03 -4.69 119.30 113.69 1b2i s MET 2 Ca -0.00 -1.96 -0.27 0.00 -1.71 0.00 0.00 55.69 51.74 1b2i s MET 2 Cb -0.05 -0.37 -0.24 0.00 2.01 0.00 0.00 34.83 36.18 1b2i s MET 2 CO -0.08 -0.40 0.66 0.45 -0.01 0.00 0.00 175.02 175.64 1b2i h HIS 3 N 2.11 0.00 0.00 -0.03 3.86 -1.95 -0.88 115.15 118.26 1b2i h HIS 3 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 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 1.02 1.09 0.00 0.41 0.86 0.00 0.00 177.93 181.31 1b2i n GLY 4 N 1.58 0.00 1.69 2.45 0.00 -1.26 -4.90 105.19 104.75 1b2i n GLY 4 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.76 1.61 3.41 -1.25 -4.01 113.62 112.62 1b2i n SER 5 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1b2i n SER 5 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.74 0.39 0.25 5.00 0.00 -1.26 -3.06 105.19 108.24 1b2i n GLY 6 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.24 0.61 0.00 1.61 4.57 -1.94 -2.87 114.58 116.33 1b2i h GLU 7 Ca -0.11 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 57.85 1b2i h GLU 7 Cb 1.08 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 1b2i h GLU 7 CO 0.12 0.41 -1.70 -1.71 -1.18 0.00 0.00 179.01 174.94 1b2i n ASN 8 N -4.82 0.56 -4.43 1.04 5.15 -1.26 -4.73 115.26 106.77 1b2i n ASN 8 Ca 0.08 0.25 -0.53 0.00 -0.60 0.00 0.00 54.58 53.78 1b2i n ASN 8 Cb 0.18 0.59 -0.08 0.00 -0.53 0.00 0.00 39.78 39.94 1b2i n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b2i n TYR 9 N -2.77 1.55 -3.16 1.20 9.36 -1.08 -4.89 117.16 117.37 1b2i n TYR 9 Ca -0.14 0.38 -0.22 0.00 3.32 0.00 0.00 57.90 61.25 1b2i n TYR 9 Cb 0.87 -2.48 -0.06 0.00 -0.63 0.00 0.00 39.34 37.04 1b2i n TYR 9 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1b2i n ASP 10 N 9.09 0.07 0.00 2.98 5.68 -1.25 -4.58 116.55 128.54 1b2i n ASP 10 Ca 0.43 -2.79 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 1b2i n ASP 10 Cb 0.17 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1b2i n ASP 10 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b2i n GLY 11 N 1.24 0.44 0.00 6.12 0.00 -1.02 -4.25 105.19 107.71 1b2i n GLY 11 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.28 -3.46 1.61 4.76 -1.26 -4.65 118.16 116.44 1b2i n LYS 12 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 1b2i n LYS 12 Cb 0.00 -0.11 -0.06 0.00 -1.84 0.00 0.00 35.03 33.02 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 0.00 5.05 -0.03 -0.18 1.09 -1.26 -4.97 121.20 120.90 1b2i s ILE 13 Ca 0.00 0.87 0.16 0.00 -1.10 0.00 0.00 60.65 60.58 1b2i s ILE 13 Cb 0.00 -3.74 0.29 0.00 -1.06 0.00 0.00 42.46 37.95 1b2i s ILE 13 CO 0.00 0.52 1.12 -0.24 -0.10 0.00 0.00 174.94 176.25 1b2i n SER 14 N 2.23 0.26 -4.50 3.58 2.88 -1.26 -2.97 113.62 113.83 1b2i n SER 14 Ca -0.12 -2.01 -0.34 0.00 -1.33 0.00 0.00 58.87 55.06 1b2i n SER 14 Cb 0.52 -0.07 -0.12 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.25 3.70 0.12 -1.46 2.20 -1.26 -0.49 119.74 122.30 1b2i s LYS 15 Ca 0.21 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1b2i s LYS 15 Cb 0.26 -3.02 -0.07 0.00 -1.51 0.00 0.00 37.83 33.49 1b2i s LYS 15 CO -0.10 0.16 1.16 0.95 -0.36 0.00 0.00 175.35 177.16 1b2i s THR 16 N 0.60 3.91 0.37 3.43 -4.23 0.55 -1.37 115.64 118.92 1b2i s THR 16 Ca -0.01 1.49 0.14 0.00 -1.18 0.00 0.00 61.69 62.13 1b2i s THR 16 Cb -0.14 -3.96 0.36 0.00 1.34 0.00 0.00 72.50 70.10 1b2i s THR 16 CO 0.02 0.18 1.81 0.00 -0.54 0.00 0.00 174.62 176.10 1b2i h MET 17 N 5.97 0.52 -0.78 3.99 -0.00 -0.85 -1.80 114.93 121.98 1b2i h MET 17 Ca -0.43 -0.03 -0.48 0.00 -0.00 0.00 0.00 59.70 58.76 1b2i h MET 17 Cb 1.21 -0.12 -0.42 0.00 -0.00 0.00 0.00 31.60 32.28 1b2i h MET 17 CO 0.77 0.34 -0.89 -1.13 -0.00 0.00 0.00 176.91 176.00 1b2i n SER 18 N -4.62 4.04 0.00 -0.10 3.41 -1.26 -4.96 113.62 110.13 1b2i n SER 18 Ca 0.22 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1b2i n SER 18 Cb 0.69 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.63 0.19 0.00 5.00 0.00 -0.68 -5.14 105.19 103.93 1b2i n GLY 19 Ca 0.34 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 -4.86 0.99 4.77 -1.26 -4.68 117.00 111.96 1b2i n LEU 20 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1b2i n LEU 20 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1b2i n LEU 20 CO 0.00 -0.37 -0.00 -0.70 -1.33 0.00 0.00 177.39 174.99 1b2i s GLU 21 N -1.32 3.71 0.63 3.23 2.56 -1.26 -0.33 118.70 125.92 1b2i s GLU 21 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 54.97 54.99 1b2i s GLU 21 Cb 0.00 -3.16 -0.02 0.00 2.00 0.00 0.00 34.13 32.95 1b2i s GLU 21 CO 0.00 0.70 1.05 0.00 -0.56 0.00 0.00 175.26 176.44 1b2i s GLN 23 N -4.65 4.33 0.46 0.00 -0.44 0.36 -4.85 119.66 114.88 1b2i s GLN 23 Ca 0.59 0.78 -0.25 0.00 -2.50 0.00 0.00 55.36 53.99 1b2i s GLN 23 Cb -0.14 -3.33 -0.08 0.00 -1.64 0.00 0.00 33.01 27.82 1b2i s GLN 23 CO 0.47 0.39 1.37 0.00 0.50 0.00 0.00 175.29 178.01 1b2i s ALA 24 N -0.27 3.14 -1.88 1.58 0.00 -1.26 -4.36 121.76 118.70 1b2i s ALA 24 Ca 0.32 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.69 1b2i s ALA 24 Cb -0.19 -3.55 0.31 0.00 0.00 0.00 0.00 23.12 19.70 1b2i s ALA 24 CO 0.18 -1.12 0.84 0.91 0.00 0.00 0.00 175.76 176.57 1b2i n TRP 25 N -0.32 0.00 0.00 0.00 7.02 0.51 -4.71 117.44 119.94 1b2i n TRP 25 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 1b2i n TRP 25 Cb 0.43 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 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 -1.06 0.00 -4.14 -0.99 -0.08 -1.26 -3.99 116.55 105.03 1b2i n ASP 26 Ca 0.04 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.99 1b2i n ASP 26 Cb 0.02 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.33 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 3.86 0.26 1.67 0.15 -1.26 -4.76 113.70 112.62 1b2i s SER 27 Ca 0.00 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1b2i s SER 27 Cb 0.00 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1b2i s SER 27 CO 0.00 -0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.35 1b2i n GLN 28 N 4.59 0.00 -3.68 5.44 0.00 -1.26 -5.08 117.38 117.39 1b2i n GLN 28 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 57.00 56.85 1b2i n GLN 28 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.71 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 -4.12 -0.03 0.50 2.61 0.01 -1.26 -4.80 113.70 106.61 1b2i s SER 29 Ca 0.00 -0.12 0.34 0.00 1.31 0.00 0.00 55.95 57.48 1b2i s SER 29 Cb 0.00 0.12 1.78 0.00 0.21 0.00 0.00 66.02 68.13 1b2i s SER 29 CO 0.00 -0.23 2.04 -0.65 0.41 0.00 0.00 173.24 174.81 1b2i h PRO 30 N 2.00 0.00 -2.04 12.44 0.11 -1.84 -3.47 132.00 139.20 1b2i h PRO 30 Ca -0.30 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.04 1b2i h PRO 30 Cb 1.20 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 1b2i h PRO 30 CO 0.29 0.00 0.60 -1.01 -0.21 0.00 0.00 178.00 177.67 1b2i s HIS 31 N -3.83 -0.11 -1.23 0.65 3.76 -1.26 -5.04 115.29 108.24 1b2i s HIS 31 Ca -0.03 -0.12 -0.20 0.00 -0.15 0.00 0.00 55.06 54.57 1b2i s HIS 31 Cb 0.10 0.60 -0.01 0.00 1.11 0.00 0.00 32.58 34.38 1b2i s HIS 31 CO 0.35 -0.63 1.87 0.00 -0.85 0.00 0.00 174.74 175.48 1b2i n ALA 32 N -0.46 2.97 -1.09 -1.40 0.00 -1.26 -4.72 120.51 114.55 1b2i n ALA 32 Ca -0.07 -3.47 -0.30 0.00 0.00 0.00 0.00 53.44 49.60 1b2i n ALA 32 Cb 0.61 -3.55 0.23 0.00 0.00 0.00 0.00 19.45 16.74 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 7.01 0.80 0.92 0.00 -0.00 -1.26 -5.06 115.29 117.69 1b2i s HIS 33 Ca 0.60 0.59 -0.14 0.00 -0.00 0.00 0.00 55.06 56.11 1b2i s HIS 33 Cb 0.04 -3.41 0.15 0.00 -0.00 0.00 0.00 32.58 29.36 1b2i s HIS 33 CO 0.09 -3.71 1.23 0.20 -0.00 0.00 0.00 174.74 172.56 1b2i s GLY 34 N -3.79 1.67 -0.58 -1.38 0.00 -1.26 -4.64 107.32 97.34 1b2i s GLY 34 Ca 0.70 -0.90 -0.09 0.00 0.00 0.00 0.00 44.72 44.43 1b2i s GLY 34 CO 0.56 -0.25 0.65 -1.72 0.00 0.00 0.00 173.10 172.34 1b2i n TYR 36 N -3.67 -3.20 -5.23 1.90 4.01 -1.26 -5.04 117.16 104.66 1b2i n TYR 36 Ca 0.11 1.26 -0.32 0.00 -0.16 0.00 0.00 57.90 58.80 1b2i n TYR 36 Cb 0.60 -3.98 -0.17 0.00 -0.31 0.00 0.00 39.34 35.48 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 -2.75 2.05 0.56 -0.72 1.01 -1.26 -4.78 121.20 115.31 1b2i s ILE 37 Ca 0.14 -1.03 0.26 0.00 0.00 0.00 0.00 60.65 60.02 1b2i s ILE 37 Cb -0.04 -1.77 0.33 0.00 0.01 0.00 0.00 42.46 41.00 1b2i s ILE 37 CO 0.77 0.56 2.22 1.55 0.00 0.00 0.00 174.94 180.04 1b2i h PRO 38 N 6.55 0.00 -1.49 2.79 0.13 -1.86 -2.74 132.00 135.38 1b2i h PRO 38 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1b2i h PRO 38 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1b2i h PRO 38 CO 0.47 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.12 1b2i n SER 39 N -3.99 2.75 0.00 1.44 3.41 -1.26 -1.19 113.62 114.78 1b2i n SER 39 Ca -0.03 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1b2i n SER 39 Cb 0.09 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 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 0.94 0.00 -4.06 4.33 4.01 -1.03 -5.09 118.16 117.27 1b2i n LYS 40 Ca 0.00 -0.06 -0.31 0.00 -0.51 0.00 0.00 58.31 57.44 1b2i n LYS 40 Cb 0.37 -0.35 -0.16 0.00 -0.51 0.00 0.00 35.03 34.38 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 0.00 2.30 -1.36 2.13 0.08 -0.33 -4.93 117.98 115.86 1b2i s PHE 41 Ca 0.00 -1.31 0.20 0.00 0.12 0.00 0.00 56.93 55.94 1b2i s PHE 41 Cb 0.00 -1.66 0.98 0.00 -0.57 0.00 0.00 43.02 41.76 1b2i s PHE 41 CO 0.00 -0.69 1.62 -0.35 -0.10 0.00 0.00 175.22 175.70 1b2i n PRO 42 N 4.72 0.24 -1.74 0.24 -0.04 -1.26 -4.80 135.00 132.35 1b2i n PRO 42 Ca -0.18 0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 63.10 1b2i n PRO 42 Cb 0.50 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1b2i n PRO 42 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1b2i s ASN 43 N -2.64 4.32 0.00 3.54 3.84 -1.26 -4.98 114.94 117.76 1b2i s ASN 43 Ca 0.17 0.95 0.25 0.00 0.21 0.00 0.00 52.86 54.43 1b2i s ASN 43 Cb 0.13 -1.53 0.51 0.00 -0.55 0.00 0.00 41.25 39.81 1b2i s ASN 43 CO 0.31 -2.04 1.44 2.29 -2.79 0.00 0.00 177.10 176.31 1b2i n LYS 44 N -3.43 2.13 0.00 0.43 0.00 -1.26 -4.75 118.16 111.28 1b2i n LYS 44 Ca 0.07 -1.66 0.00 0.00 -0.00 0.00 0.00 58.31 56.72 1b2i n LYS 44 Cb 0.59 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 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 0.97 0.00 -4.71 -5.58 6.94 -1.26 -4.31 115.26 107.31 1b2i n ASN 45 Ca 0.16 0.62 -0.42 0.00 -0.02 0.00 0.00 54.58 54.92 1b2i n ASN 45 Cb 0.51 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.76 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 -3.11 4.36 0.00 -4.53 2.01 -1.26 -4.93 118.68 111.22 1b2i s LEU 46 Ca 0.00 2.01 0.00 0.00 0.01 0.00 0.00 54.13 56.15 1b2i s LEU 46 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.62 1b2i s LEU 46 CO 0.00 -0.49 0.00 1.17 1.01 0.00 0.00 176.35 178.04 1b2i n LYS 47 N 4.07 0.42 0.00 1.70 3.00 -1.26 -4.75 118.16 121.34 1b2i n LYS 47 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1b2i n LYS 47 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 1b2i n LYS 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1b2i n LYS 48 N 0.00 0.00 0.00 1.64 4.76 -1.26 -4.34 118.16 118.96 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 -0.13 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 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 0.00 0.09 -4.59 4.39 6.94 -1.26 -0.37 115.26 120.46 1b2i n ASN 49 Ca 0.00 -0.49 -0.54 0.00 -0.02 0.00 0.00 54.58 53.52 1b2i n ASN 49 Cb 0.00 0.78 -0.07 0.00 -2.36 0.00 0.00 39.78 38.14 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 -0.78 1.44 -1.73 -2.53 4.01 -1.26 -4.80 117.16 111.51 1b2i n TYR 50 Ca 0.00 0.71 -0.42 0.00 -0.16 0.00 0.00 57.90 58.03 1b2i n TYR 50 Cb 0.00 -2.30 -0.02 0.00 -0.31 0.00 0.00 39.34 36.71 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 2.36 2.21 -2.98 0.00 5.12 0.22 -4.68 116.66 118.90 1b2i n ARG 52 Ca 0.10 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.87 1b2i n ARG 52 Cb 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.66 1b2i n ARG 52 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1b2i n ASN 53 N -0.52 -0.96 -0.30 0.55 2.85 -1.26 -0.72 115.26 114.89 1b2i n ASN 53 Ca 0.00 -3.14 0.04 0.00 -0.11 0.00 0.00 54.58 51.37 1b2i n ASN 53 Cb 0.00 0.53 0.18 0.00 1.24 0.00 0.00 39.78 41.73 1b2i n ASN 53 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1b2i h PRO 54 N 3.54 0.78 -0.02 1.20 0.11 -1.96 0.31 132.00 135.95 1b2i h PRO 54 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1b2i h PRO 54 Cb 0.99 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1b2i h PRO 54 CO 0.37 0.51 -0.20 -0.40 -0.21 0.00 0.00 178.00 178.07 1b2i n ASP 55 N -4.74 2.05 -3.58 -2.05 5.75 -1.26 -4.99 116.55 107.73 1b2i n ASP 55 Ca 0.15 -1.55 -0.20 0.00 -0.01 0.00 0.00 54.79 53.18 1b2i n ASP 55 Cb 0.31 0.18 0.01 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.32 -1.37 -0.99 0.11 0.00 0.10 -5.03 116.66 109.80 1b2i n ARG 56 Ca 0.13 0.90 -0.30 0.00 -0.00 0.00 0.00 57.85 58.57 1b2i n ARG 56 Cb 0.47 -3.52 0.25 0.00 -0.00 0.00 0.00 32.46 29.66 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 -4.65 -1.51 0.00 2.89 2.56 -1.26 -5.05 118.70 111.68 1b2i s GLU 57 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.97 54.98 1b2i s GLU 57 Cb -0.04 -1.56 0.00 0.00 2.00 0.00 0.00 34.13 34.53 1b2i s GLU 57 CO 0.85 -3.90 0.03 -0.11 -0.56 0.00 0.00 175.26 171.57 1b2i n LEU 58 N -4.90 0.08 -4.76 2.70 7.94 -1.26 -4.78 117.00 112.03 1b2i n LEU 58 Ca 0.13 0.03 -0.41 0.00 -1.11 0.00 0.00 56.01 54.65 1b2i n LEU 58 Cb 0.60 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.52 1b2i n LEU 58 CO 0.44 0.00 1.01 -0.60 -1.11 0.00 0.00 177.39 177.13 1b2i s ARG 59 N -0.06 4.35 0.30 1.96 3.52 -1.26 -3.83 118.95 123.93 1b2i s ARG 59 Ca 0.00 2.19 -0.30 0.00 -0.13 0.00 0.00 55.73 57.50 1b2i s ARG 59 Cb 0.00 -3.11 -0.12 0.00 -1.56 0.00 0.00 34.95 30.17 1b2i s ARG 59 CO 0.00 -0.25 1.59 -0.35 -0.81 0.00 0.00 175.30 175.48 1b2i n PRO 61 N 1.55 2.70 -4.50 5.12 -0.04 -1.17 -4.69 135.00 133.97 1b2i n PRO 61 Ca 0.03 0.96 -0.24 0.00 -0.04 0.00 0.00 63.50 64.21 1b2i n PRO 61 Cb 0.42 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 31.04 1b2i n PRO 61 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1b2i s TRP 62 N -0.10 2.06 0.20 0.54 1.48 0.10 -0.53 118.94 122.69 1b2i s TRP 62 Ca 0.63 -0.93 -0.16 0.00 -1.06 0.00 0.00 56.10 54.59 1b2i s TRP 62 Cb -0.49 -1.39 0.02 0.00 -1.16 0.00 0.00 33.47 30.44 1b2i s TRP 62 CO 0.50 0.08 0.49 0.00 -4.06 0.00 0.00 176.95 173.96 1b2i s PHE 64 N -3.91 3.09 0.48 0.00 0.08 -1.26 -1.37 117.98 115.09 1b2i s PHE 64 Ca 0.12 1.54 0.07 0.00 0.12 0.00 0.00 56.93 58.78 1b2i s PHE 64 Cb -0.00 -2.98 0.02 0.00 -0.57 0.00 0.00 43.02 39.48 1b2i s PHE 64 CO -0.01 -0.81 0.47 0.95 -0.10 0.00 0.00 175.22 175.72 1b2i s THR 65 N -2.28 2.33 -0.52 0.64 -4.23 0.06 -0.49 115.64 111.16 1b2i s THR 65 Ca 0.64 -1.30 0.26 0.00 -1.18 0.00 0.00 61.69 60.11 1b2i s THR 65 Cb -0.15 -2.63 0.31 0.00 1.34 0.00 0.00 72.50 71.37 1b2i s THR 65 CO 0.28 0.00 1.74 0.71 -0.54 0.00 0.00 174.62 176.81 1b2i h THR 66 N 0.79 0.00 -3.27 3.99 1.35 -1.84 -3.40 112.91 110.51 1b2i h THR 66 Ca -0.38 -0.60 -0.58 0.00 -0.55 0.00 0.00 66.41 64.30 1b2i h THR 66 Cb 1.28 1.57 -0.07 0.00 -1.73 0.00 0.00 68.15 69.20 1b2i h THR 66 CO 0.54 0.00 0.46 -0.62 -0.25 0.00 0.00 175.52 175.64 1b2i s ASP 67 N -5.13 7.00 0.00 5.36 2.15 -1.26 -4.71 116.67 120.08 1b2i s ASP 67 Ca 0.08 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.29 1b2i s ASP 67 Cb 0.09 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1b2i s ASP 67 CO 0.58 -0.44 0.69 -2.65 -0.17 0.00 0.00 175.17 173.19 1b2i n PRO 68 N 5.36 0.00 -0.08 4.34 -0.02 -1.26 -2.78 135.00 140.55 1b2i n PRO 68 Ca 0.06 0.21 -0.16 0.00 -2.02 0.00 0.00 63.50 61.59 1b2i n PRO 68 Cb 0.48 -1.51 -0.07 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.19 1.77 -4.28 2.55 5.03 -1.26 -4.67 115.26 113.21 1b2i n ASN 69 Ca 0.00 0.10 -0.43 0.00 0.87 0.00 0.00 54.58 55.12 1b2i n ASN 69 Cb 0.01 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.36 1b2i n ASN 69 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1b2i n LYS 70 N -3.48 3.26 0.00 3.52 3.00 -1.12 -4.83 118.16 118.51 1b2i n LYS 70 Ca -0.32 -3.38 0.00 0.00 -0.00 0.00 0.00 58.31 54.61 1b2i n LYS 70 Cb 0.76 -3.23 0.00 0.00 0.00 0.00 0.00 35.03 32.57 1b2i n LYS 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1b2i n ARG 71 N 6.40 0.00 -4.01 1.64 0.63 -1.25 -3.73 116.66 116.34 1b2i n ARG 71 Ca 0.44 0.40 -0.27 0.00 -0.92 0.00 0.00 57.85 57.50 1b2i n ARG 71 Cb 0.42 -1.22 -0.05 0.00 0.45 0.00 0.00 32.46 32.07 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 -1.87 3.31 -0.16 -0.14 1.48 -1.26 -0.76 118.94 119.54 1b2i s TRP 72 Ca 0.00 0.07 -0.25 0.00 -1.06 0.00 0.00 56.10 54.87 1b2i s TRP 72 Cb 0.00 -1.61 0.06 0.00 -1.16 0.00 0.00 33.47 30.76 1b2i s TRP 72 CO 0.00 0.53 0.63 -2.00 -4.06 0.00 0.00 176.95 172.05 1b2i s GLU 73 N -2.98 0.85 0.23 3.25 2.12 -0.47 -4.89 118.70 116.81 1b2i s GLU 73 Ca 0.32 0.61 -0.30 0.00 0.36 0.00 0.00 54.97 55.96 1b2i s GLU 73 Cb -0.11 0.41 -0.09 0.00 0.26 0.00 0.00 34.13 34.59 1b2i s GLU 73 CO 0.25 -0.17 1.34 -0.51 -0.54 0.00 0.00 175.26 175.63 1b2i s LEU 74 N -0.28 4.41 0.37 2.70 1.43 -1.26 -1.95 118.68 124.09 1b2i s LEU 74 Ca -0.05 2.51 -0.04 0.00 -1.03 0.00 0.00 54.13 55.52 1b2i s LEU 74 Cb -0.03 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1b2i s LEU 74 CO 0.04 -0.57 0.64 0.00 0.23 0.00 0.00 176.35 176.69 1b2i s ASP 76 N -3.63 6.05 0.01 0.00 2.15 -0.47 -4.59 116.67 116.19 1b2i s ASP 76 Ca 0.45 -1.48 0.02 0.00 0.43 0.00 0.00 52.55 51.97 1b2i s ASP 76 Cb -0.10 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.33 1b2i s ASP 76 CO 0.35 -0.68 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.04 1b2i s ILE 77 N 1.59 4.06 0.04 4.11 1.09 -1.26 -4.78 121.20 126.05 1b2i s ILE 77 Ca 0.04 -0.66 -0.31 0.00 -1.10 0.00 0.00 60.65 58.62 1b2i s ILE 77 Cb -0.25 -2.81 -0.06 0.00 -1.06 0.00 0.00 42.46 38.27 1b2i s ILE 77 CO 0.05 0.36 1.42 -2.16 -0.10 0.00 0.00 174.94 174.51 1b2i s PRO 78 N -1.59 4.29 0.38 2.79 0.04 -1.26 -4.94 135.00 134.71 1b2i s PRO 78 Ca 0.20 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.02 1b2i s PRO 78 Cb -0.11 -3.48 -0.09 0.00 0.04 0.00 0.00 34.50 30.86 1b2i s PRO 78 CO 0.10 -0.55 1.08 0.50 0.04 0.00 0.00 177.00 178.17 1b2i s ARG 79 N 2.03 4.20 -0.23 4.56 3.52 -1.26 -2.45 118.95 129.32 1b2i s ARG 79 Ca 0.65 1.61 -0.28 0.00 -0.13 0.00 0.00 55.73 57.58 1b2i s ARG 79 Cb -0.34 -2.65 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 1b2i s ARG 79 CO 0.28 -0.13 2.15 0.00 -0.81 0.00 0.00 175.30 176.79