#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 -0.96 -4.13 8.00 7.64 -1.26 -4.99 113.62 117.91 1b2i n SER -3 Ca 0.00 -1.75 -0.30 0.00 1.01 0.00 0.00 58.87 57.82 1b2i n SER -3 Cb 0.00 0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.84 -2.57 0.05 1.43 4.71 -1.26 -4.25 120.64 117.92 1b2i n GLU -2 Ca -0.14 0.31 -0.16 0.00 -0.01 0.00 0.00 57.16 57.15 1b2i n GLU -2 Cb 0.72 -4.44 -0.14 0.00 -1.01 0.00 0.00 31.44 26.57 1b2i n GLU -2 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 1b2i h GLU -1 N -1.70 0.22 -6.35 3.49 9.09 -1.96 -3.25 114.58 114.12 1b2i h GLU -1 Ca -0.63 -0.37 -0.68 0.00 0.05 0.00 0.00 59.36 57.73 1b2i h GLU -1 Cb 1.38 0.14 -0.20 0.00 -1.65 0.00 0.00 28.75 28.43 1b2i h GLU -1 CO 0.70 1.06 -0.74 0.00 0.05 0.00 0.00 179.01 180.07 1b2i s MET 2 N -1.24 1.70 0.29 0.00 -1.94 -1.00 -4.73 119.30 112.37 1b2i s MET 2 Ca 0.15 -1.93 0.03 0.00 -1.71 0.00 0.00 55.69 52.23 1b2i s MET 2 Cb -0.11 -1.14 0.43 0.00 2.01 0.00 0.00 34.83 36.02 1b2i s MET 2 CO 0.05 -0.09 1.73 0.45 -0.01 0.00 0.00 175.02 177.15 1b2i h HIS 3 N 2.08 0.52 0.00 -0.03 3.86 -1.93 0.12 115.15 119.77 1b2i h HIS 3 Ca -0.41 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.69 1b2i h HIS 3 Cb 1.24 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.58 1b2i h HIS 3 CO 0.64 0.68 0.00 0.41 0.86 0.00 0.00 177.93 180.52 1b2i n GLY 4 N -0.40 0.44 0.10 2.45 0.00 -1.26 -4.74 105.19 101.78 1b2i n GLY 4 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1b2i n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b2i h SER 5 N 0.02 0.08 0.00 1.61 4.64 -1.90 -3.40 113.55 114.60 1b2i h SER 5 Ca 0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1b2i h SER 5 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1b2i h SER 5 CO 0.00 1.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.96 1b2i n GLY 6 N 1.55 0.80 0.37 -0.77 0.00 -1.26 -3.67 105.19 102.20 1b2i n GLY 6 Ca -0.25 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 2.87 1.08 -0.31 1.61 4.57 -1.94 -0.44 114.58 122.02 1b2i h GLU 7 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1b2i h GLU 7 Cb 0.00 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.35 1b2i h GLU 7 CO 0.00 0.71 0.00 -1.71 -1.18 0.00 0.00 179.01 176.83 1b2i n ASN 8 N -4.51 2.51 -4.73 1.04 2.85 -1.26 -4.87 115.26 106.29 1b2i n ASN 8 Ca 0.16 -1.87 -0.41 0.00 -0.11 0.00 0.00 54.58 52.34 1b2i n ASN 8 Cb 0.22 -0.20 -0.04 0.00 1.24 0.00 0.00 39.78 40.99 1b2i n ASN 8 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1b2i s TYR 9 N -1.60 3.68 -0.24 1.20 5.04 -0.18 -4.88 117.35 120.37 1b2i s TYR 9 Ca 0.35 1.68 0.10 0.00 -2.44 0.00 0.00 57.07 56.75 1b2i s TYR 9 Cb 0.19 -3.19 0.30 0.00 0.35 0.00 0.00 41.96 39.62 1b2i s TYR 9 CO 0.27 -0.29 1.39 -0.40 -1.34 0.00 0.00 175.55 175.18 1b2i n ASP 10 N 2.52 -1.26 0.00 4.32 5.75 -1.26 -4.82 116.55 121.80 1b2i n ASP 10 Ca 0.03 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 1b2i n ASP 10 Cb 0.47 0.55 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 1b2i n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b2i n GLY 11 N -1.11 1.10 0.00 6.12 0.00 -1.23 -4.95 105.19 105.12 1b2i n GLY 11 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 3.52 -2.27 1.61 4.76 -1.26 -4.94 118.16 119.58 1b2i n LYS 12 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1b2i n LYS 12 Cb 0.00 -0.29 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 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 3.35 -0.28 -0.18 1.09 -1.26 -4.81 121.20 119.10 1b2i s ILE 13 Ca 0.00 1.11 0.21 0.00 -1.10 0.00 0.00 60.65 60.86 1b2i s ILE 13 Cb 0.00 -3.71 0.49 0.00 -1.06 0.00 0.00 42.46 38.18 1b2i s ILE 13 CO 0.00 0.16 1.21 -0.24 -0.10 0.00 0.00 174.94 175.98 1b2i n SER 14 N 2.66 0.84 -4.24 3.58 2.88 -1.26 -2.53 113.62 115.55 1b2i n SER 14 Ca 0.06 -2.07 -0.32 0.00 -1.33 0.00 0.00 58.87 55.21 1b2i n SER 14 Cb 0.43 -0.20 -0.16 0.00 -0.75 0.00 0.00 64.21 63.53 1b2i n SER 14 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1b2i s LYS 15 N -2.86 3.13 0.01 -1.46 3.01 -1.26 -0.56 119.74 119.76 1b2i s LYS 15 Ca 0.23 -0.82 -0.30 0.00 -1.01 0.00 0.00 55.97 54.07 1b2i s LYS 15 Cb 0.35 -2.45 -0.04 0.00 -1.01 0.00 0.00 37.83 34.68 1b2i s LYS 15 CO -0.06 0.11 1.10 0.95 0.51 0.00 0.00 175.35 177.96 1b2i s THR 16 N 0.53 4.44 0.62 2.17 -4.23 0.23 -1.52 115.64 117.88 1b2i s THR 16 Ca -0.12 1.75 0.26 0.00 -1.18 0.00 0.00 61.69 62.40 1b2i s THR 16 Cb -0.17 -4.12 0.33 0.00 1.34 0.00 0.00 72.50 69.88 1b2i s THR 16 CO 0.04 0.11 1.69 0.00 -0.54 0.00 0.00 174.62 175.93 1b2i h MET 17 N 6.90 0.00 -0.23 3.99 -0.00 -0.82 -1.00 114.93 123.77 1b2i h MET 17 Ca -0.40 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.09 1b2i h MET 17 Cb 1.20 0.00 -0.37 0.00 -0.00 0.00 0.00 31.60 32.43 1b2i h MET 17 CO 0.80 0.00 -1.03 0.45 -0.00 0.00 0.00 176.91 177.13 1b2i n SER 18 N -3.32 1.53 0.00 -0.10 2.88 -1.26 -4.94 113.62 108.41 1b2i n SER 18 Ca 0.08 -2.23 0.00 0.00 -1.33 0.00 0.00 58.87 55.39 1b2i n SER 18 Cb 0.82 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1b2i n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b2i n GLY 19 N -0.15 -1.37 3.44 0.46 0.00 -0.38 -5.17 105.19 102.02 1b2i n GLY 19 Ca 0.10 0.59 -0.23 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.02 1.90 0.16 0.99 1.43 -1.25 -4.91 118.68 116.97 1b2i s LEU 20 Ca 0.00 -1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 51.17 1b2i s LEU 20 Cb 0.00 0.02 -0.07 0.00 0.03 0.00 0.00 46.19 46.17 1b2i s LEU 20 CO 0.00 -0.91 1.10 -0.70 0.23 0.00 0.00 176.35 176.07 1b2i s GLU 21 N -3.72 4.58 0.48 1.70 2.56 -1.26 -0.60 118.70 122.44 1b2i s GLU 21 Ca 0.30 1.71 -0.19 0.00 0.00 0.00 0.00 54.97 56.78 1b2i s GLU 21 Cb 0.04 -3.29 -0.09 0.00 2.00 0.00 0.00 34.13 32.79 1b2i s GLU 21 CO 0.17 0.04 1.00 0.00 -0.56 0.00 0.00 175.26 175.91 1b2i s GLN 23 N -3.43 4.21 0.62 0.00 -0.44 0.41 -4.85 119.66 116.19 1b2i s GLN 23 Ca 0.64 0.55 -0.19 0.00 -2.50 0.00 0.00 55.36 53.86 1b2i s GLN 23 Cb -0.13 -3.34 -0.02 0.00 -1.64 0.00 0.00 33.01 27.89 1b2i s GLN 23 CO 0.21 0.40 1.28 0.00 0.50 0.00 0.00 175.29 177.68 1b2i s ALA 24 N -0.21 2.46 -2.00 1.58 0.00 -1.26 -4.24 121.76 118.08 1b2i s ALA 24 Ca 0.27 1.18 0.15 0.00 0.00 0.00 0.00 51.96 53.56 1b2i s ALA 24 Cb -0.17 -3.53 0.88 0.00 0.00 0.00 0.00 23.12 20.31 1b2i s ALA 24 CO 0.14 -1.47 1.32 0.91 0.00 0.00 0.00 175.76 176.66 1b2i n TRP 25 N -1.74 0.00 0.00 0.00 7.02 0.86 -4.64 117.44 118.94 1b2i n TRP 25 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 1b2i n TRP 25 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 1b2i n TRP 25 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1b2i n ASP 26 N -0.89 0.00 -3.64 -0.99 8.00 -1.26 -3.98 116.55 113.79 1b2i n ASP 26 Ca 0.11 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.47 1b2i n ASP 26 Cb 0.05 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.02 1b2i n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1b2i s SER 27 N -1.32 0.52 0.00 -2.24 0.15 -1.26 -4.85 113.70 104.71 1b2i s SER 27 Ca 0.00 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1b2i s SER 27 Cb 0.00 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1b2i s SER 27 CO 0.00 -0.25 0.00 0.00 1.20 0.00 0.00 173.24 174.19 1b2i n GLN 28 N 5.34 0.00 -3.66 5.44 0.00 -1.26 -5.08 117.38 118.17 1b2i n GLN 28 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 56.94 1b2i n GLN 28 Cb 0.50 0.00 -0.01 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 -2.79 -0.11 0.35 2.61 0.01 -1.26 -4.73 113.70 107.79 1b2i s SER 29 Ca 0.00 -0.20 0.26 0.00 1.31 0.00 0.00 55.95 57.31 1b2i s SER 29 Cb 0.00 0.27 1.25 0.00 0.21 0.00 0.00 66.02 67.75 1b2i s SER 29 CO 0.00 -0.49 1.78 -0.65 0.41 0.00 0.00 173.24 174.28 1b2i h PRO 30 N 2.00 0.00 -2.38 12.44 0.11 -1.82 -3.47 132.00 138.88 1b2i h PRO 30 Ca -0.27 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.99 1b2i h PRO 30 Cb 1.21 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1b2i h PRO 30 CO 0.27 0.00 0.46 -1.01 -0.21 0.00 0.00 178.00 177.52 1b2i s HIS 31 N -3.54 -0.22 -1.25 0.65 3.76 -1.26 -5.03 115.29 108.41 1b2i s HIS 31 Ca -0.00 -0.04 -0.20 0.00 -0.15 0.00 0.00 55.06 54.67 1b2i s HIS 31 Cb 0.08 0.61 -0.00 0.00 1.11 0.00 0.00 32.58 34.38 1b2i s HIS 31 CO 0.31 -0.76 1.84 0.00 -0.85 0.00 0.00 174.74 175.29 1b2i n ALA 32 N -0.40 2.95 -0.91 -1.40 0.00 -1.26 -4.67 120.51 114.83 1b2i n ALA 32 Ca -0.07 -3.51 -0.29 0.00 0.00 0.00 0.00 53.44 49.57 1b2i n ALA 32 Cb 0.61 -3.56 0.20 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 6.88 1.81 1.04 0.00 -3.43 -1.26 -5.06 115.29 115.27 1b2i s HIS 33 Ca 0.59 1.11 -0.17 0.00 -0.80 0.00 0.00 55.06 55.79 1b2i s HIS 33 Cb 0.03 -3.19 0.24 0.00 -1.43 0.00 0.00 32.58 28.23 1b2i s HIS 33 CO 0.10 -3.25 1.30 0.20 -2.00 0.00 0.00 174.74 171.09 1b2i s GLY 34 N -3.06 1.77 -0.54 -1.38 0.00 -1.26 -4.69 107.32 98.15 1b2i s GLY 34 Ca 0.66 -1.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.12 1b2i s GLY 34 CO 0.60 -0.40 0.53 -1.72 0.00 0.00 0.00 173.10 172.11 1b2i n TYR 36 N -4.05 -2.40 -5.20 1.90 4.01 -1.26 -5.06 117.16 105.10 1b2i n TYR 36 Ca 0.16 0.92 -0.32 0.00 -0.16 0.00 0.00 57.90 58.51 1b2i n TYR 36 Cb 0.59 -3.54 -0.17 0.00 -0.31 0.00 0.00 39.34 35.91 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 -2.88 2.03 0.66 -0.72 1.01 -1.26 -4.79 121.20 115.25 1b2i s ILE 37 Ca 0.03 -1.01 0.42 0.00 0.00 0.00 0.00 60.65 60.10 1b2i s ILE 37 Cb -0.01 -1.75 0.43 0.00 0.01 0.00 0.00 42.46 41.14 1b2i s ILE 37 CO 0.59 0.55 2.31 1.55 0.00 0.00 0.00 174.94 179.94 1b2i h PRO 38 N 6.65 0.00 0.00 2.79 0.13 -1.85 -1.16 132.00 138.57 1b2i h PRO 38 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1b2i h PRO 38 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1b2i h PRO 38 CO 0.47 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.11 1b2i n SER 39 N -3.10 0.11 -0.78 1.44 3.41 -1.26 -1.43 113.62 112.00 1b2i n SER 39 Ca -0.03 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 1b2i n SER 39 Cb 0.11 -0.55 0.08 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.63 1.78 -4.06 4.33 4.01 -0.44 -4.86 118.16 117.30 1b2i n LYS 40 Ca 0.03 -1.65 -0.32 0.00 -0.51 0.00 0.00 58.31 55.86 1b2i n LYS 40 Cb 0.15 -1.39 -0.15 0.00 -0.51 0.00 0.00 35.03 33.13 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 -1.71 3.01 0.26 2.13 0.08 -0.52 -4.93 117.98 116.30 1b2i s PHE 41 Ca 0.23 -2.08 -0.05 0.00 0.12 0.00 0.00 56.93 55.15 1b2i s PHE 41 Cb 0.17 -1.86 0.30 0.00 -0.57 0.00 0.00 43.02 41.05 1b2i s PHE 41 CO 0.27 -0.84 1.89 -1.00 -0.10 0.00 0.00 175.22 175.43 1b2i h PRO 42 N 7.84 1.17 -6.82 0.24 0.13 -1.89 -3.42 132.00 129.25 1b2i h PRO 42 Ca -0.24 -0.13 -0.56 0.00 -0.87 0.00 0.00 66.00 64.20 1b2i h PRO 42 Cb 1.07 -0.23 0.12 0.00 0.13 0.00 0.00 31.00 32.08 1b2i h PRO 42 CO 0.49 0.85 0.48 -1.71 -0.23 0.00 0.00 178.00 177.87 1b2i n ASN 43 N -4.35 2.52 -3.80 1.44 2.85 -1.26 -4.91 115.26 107.76 1b2i n ASN 43 Ca 0.09 1.11 -0.37 0.00 -0.11 0.00 0.00 54.58 55.30 1b2i n ASN 43 Cb 0.09 -1.49 -0.02 0.00 1.24 0.00 0.00 39.78 39.59 1b2i n ASN 43 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1b2i n LYS 44 N 0.08 3.79 -0.03 1.20 4.76 -1.26 -4.71 118.16 121.99 1b2i n LYS 44 Ca 0.07 -4.60 -0.01 0.00 -2.87 0.00 0.00 58.31 50.90 1b2i n LYS 44 Cb 0.39 -2.42 -0.00 0.00 -1.84 0.00 0.00 35.03 31.16 1b2i n LYS 44 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1b2i h ASN 45 N 4.99 0.00 -3.54 4.39 -1.07 -1.90 -3.46 115.58 114.98 1b2i h ASN 45 Ca 0.20 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 56.05 1b2i h ASN 45 Cb 0.63 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.88 1b2i h ASN 45 CO 1.16 0.27 0.46 -0.76 0.07 0.00 0.00 177.43 178.63 1b2i s LEU 46 N -6.14 4.48 0.00 6.14 2.01 -1.26 -4.95 118.68 118.96 1b2i s LEU 46 Ca -0.02 2.02 0.00 0.00 0.01 0.00 0.00 54.13 56.14 1b2i s LEU 46 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.60 1b2i s LEU 46 CO 0.04 -0.20 0.00 1.17 1.01 0.00 0.00 176.35 178.36 1b2i n LYS 47 N 2.56 0.00 0.00 1.70 4.81 -1.26 -4.72 118.16 121.25 1b2i n LYS 47 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1b2i n LYS 47 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 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 -4.38 118.16 118.92 1b2i n LYS 48 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 1b2i n LYS 48 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 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 0.53 -4.64 4.39 6.94 -1.26 -0.10 115.26 121.12 1b2i n ASN 49 Ca 0.00 -0.77 -0.48 0.00 -0.02 0.00 0.00 54.58 53.32 1b2i n ASN 49 Cb 0.00 0.68 -0.04 0.00 -2.36 0.00 0.00 39.78 38.06 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 -0.67 1.99 -0.79 -2.53 4.01 -1.26 -4.75 117.16 113.16 1b2i n TYR 50 Ca 0.01 0.42 -0.32 0.00 -0.16 0.00 0.00 57.90 57.85 1b2i n TYR 50 Cb 0.07 -2.46 0.15 0.00 -0.31 0.00 0.00 39.34 36.79 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 -3.58 0.68 -3.56 0.00 5.12 -0.08 -4.67 116.66 110.57 1b2i n ARG 52 Ca 0.11 -2.84 -0.27 0.00 -1.93 0.00 0.00 57.85 52.92 1b2i n ARG 52 Cb 0.52 2.70 -0.10 0.00 -1.16 0.00 0.00 32.46 34.42 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 -1.63 1.96 -0.03 0.55 4.13 -1.26 -0.37 115.26 118.61 1b2i n ASN 53 Ca 0.01 -2.99 -0.16 0.00 1.68 0.00 0.00 54.58 53.12 1b2i n ASN 53 Cb 0.59 -0.67 -0.09 0.00 -1.54 0.00 0.00 39.78 38.07 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 4.95 0.42 -0.37 3.52 0.11 -1.97 -3.30 132.00 135.37 1b2i h PRO 54 Ca 0.18 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1b2i h PRO 54 Cb 0.79 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1b2i h PRO 54 CO 0.63 0.99 0.00 -0.40 -0.21 0.00 0.00 178.00 179.01 1b2i n ASP 55 N -4.32 4.03 -1.98 -2.05 5.68 -1.26 -5.02 116.55 111.63 1b2i n ASP 55 Ca -0.08 -2.72 -0.08 0.00 -0.50 0.00 0.00 54.79 51.41 1b2i n ASP 55 Cb 0.56 -0.50 0.01 0.00 -1.14 0.00 0.00 41.12 40.04 1b2i n ASP 55 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1b2i n ARG 56 N 0.07 -0.42 0.00 0.11 0.00 -1.25 -4.99 116.66 110.18 1b2i n ARG 56 Ca 0.21 0.28 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 1b2i n ARG 56 Cb 0.83 -0.48 0.00 0.00 -0.00 0.00 0.00 32.46 32.81 1b2i n ARG 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1b2i n GLU 57 N -0.35 2.67 0.00 2.89 0.00 -1.26 -5.06 120.64 119.53 1b2i n GLU 57 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 1b2i n GLU 57 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.60 1b2i n GLU 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1b2i n LEU 58 N 0.00 2.08 -4.59 -1.84 7.94 -1.26 -4.94 117.00 114.39 1b2i n LEU 58 Ca 0.00 0.17 -0.34 0.00 -1.11 0.00 0.00 56.01 54.72 1b2i n LEU 58 Cb 0.00 -0.06 -0.11 0.00 0.53 0.00 0.00 43.42 43.78 1b2i n LEU 58 CO 0.00 -0.06 -0.34 -0.60 -1.11 0.00 0.00 177.39 175.28 1b2i s ARG 59 N -0.36 3.20 0.20 1.96 3.52 -1.26 -4.30 118.95 121.91 1b2i s ARG 59 Ca 0.00 -0.48 -0.32 0.00 -0.13 0.00 0.00 55.73 54.80 1b2i s ARG 59 Cb 0.00 -2.80 -0.14 0.00 -1.56 0.00 0.00 34.95 30.45 1b2i s ARG 59 CO 0.00 0.52 1.38 -0.35 -0.81 0.00 0.00 175.30 176.03 1b2i n PRO 61 N 2.69 1.81 -4.05 5.12 -0.04 -1.24 -4.46 135.00 134.83 1b2i n PRO 61 Ca -0.18 0.65 -0.25 0.00 -0.04 0.00 0.00 63.50 63.68 1b2i n PRO 61 Cb 0.53 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 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 0.09 2.45 0.22 0.54 1.48 0.50 -0.12 118.94 124.10 1b2i s TRP 62 Ca 0.72 -0.63 -0.20 0.00 -1.06 0.00 0.00 56.10 54.93 1b2i s TRP 62 Cb -0.72 -1.97 0.03 0.00 -1.16 0.00 0.00 33.47 29.66 1b2i s TRP 62 CO 0.48 0.05 0.62 0.00 -4.06 0.00 0.00 176.95 174.04 1b2i s PHE 64 N -3.87 3.26 0.46 0.00 0.08 -1.26 -1.55 117.98 115.10 1b2i s PHE 64 Ca 0.09 1.46 0.08 0.00 0.12 0.00 0.00 56.93 58.67 1b2i s PHE 64 Cb -0.03 -2.88 0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1b2i s PHE 64 CO -0.01 -0.78 0.46 0.95 -0.10 0.00 0.00 175.22 175.75 1b2i s THR 65 N -2.66 2.43 -0.79 0.64 -4.23 0.20 -0.44 115.64 110.78 1b2i s THR 65 Ca 0.60 -1.28 0.27 0.00 -1.18 0.00 0.00 61.69 60.09 1b2i s THR 65 Cb -0.13 -2.71 0.25 0.00 1.34 0.00 0.00 72.50 71.25 1b2i s THR 65 CO 0.38 0.00 1.77 0.35 -0.54 0.00 0.00 174.62 176.58 1b2i n THR 66 N -1.72 0.43 -2.79 3.99 -2.24 -1.24 -4.42 114.28 106.30 1b2i n THR 66 Ca 0.05 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1b2i n THR 66 Cb 0.62 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 7.21 0.00 3.42 2.15 -1.26 -4.64 116.67 119.42 1b2i s ASP 67 Ca 0.11 1.48 0.00 0.00 0.43 0.00 0.00 52.55 54.57 1b2i s ASP 67 Cb 0.14 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1b2i s ASP 67 CO 0.59 -0.30 0.62 -2.65 -0.17 0.00 0.00 175.17 173.26 1b2i n PRO 68 N 4.36 0.00 -0.01 4.34 -0.02 -1.26 -2.67 135.00 139.74 1b2i n PRO 68 Ca 0.05 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.68 1b2i n PRO 68 Cb 0.50 -1.52 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.12 3.99 -4.50 2.55 5.03 -1.26 -4.83 115.26 115.11 1b2i n ASN 69 Ca 0.00 -0.01 -0.43 0.00 0.87 0.00 0.00 54.58 55.01 1b2i n ASN 69 Cb 0.02 0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 38.85 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 -2.04 3.86 0.00 3.52 2.47 -1.09 -4.86 119.74 121.59 1b2i s LYS 70 Ca -0.02 -2.00 0.00 0.00 -1.56 0.00 0.00 55.97 52.39 1b2i s LYS 70 Cb 0.01 -5.18 0.00 0.00 -1.46 0.00 0.00 37.83 31.20 1b2i s LYS 70 CO 0.05 -1.95 0.59 -2.13 0.16 0.00 0.00 175.35 172.07 1b2i n ARG 71 N 7.02 0.00 -3.58 4.03 0.63 -1.26 -3.74 116.66 119.76 1b2i n ARG 71 Ca 0.35 0.22 -0.20 0.00 -0.92 0.00 0.00 57.85 57.30 1b2i n ARG 71 Cb 0.46 -1.09 -0.03 0.00 0.45 0.00 0.00 32.46 32.26 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 -1.35 2.84 -0.17 -0.14 1.48 -1.26 -0.63 118.94 119.71 1b2i s TRP 72 Ca 0.00 -0.38 -0.30 0.00 -1.06 0.00 0.00 56.10 54.36 1b2i s TRP 72 Cb 0.00 -2.04 0.13 0.00 -1.16 0.00 0.00 33.47 30.41 1b2i s TRP 72 CO 0.00 -0.03 1.04 -2.00 -4.06 0.00 0.00 176.95 171.90 1b2i s GLU 73 N -4.11 0.53 0.35 3.25 2.12 -0.59 -4.85 118.70 115.40 1b2i s GLU 73 Ca 0.46 0.13 -0.27 0.00 0.36 0.00 0.00 54.97 55.65 1b2i s GLU 73 Cb -0.06 0.25 -0.09 0.00 0.26 0.00 0.00 34.13 34.49 1b2i s GLU 73 CO 0.28 -0.17 1.12 -0.51 -0.54 0.00 0.00 175.26 175.45 1b2i s LEU 74 N -1.11 4.34 0.34 2.70 1.43 -1.26 -1.78 118.68 123.35 1b2i s LEU 74 Ca -0.00 2.27 -0.01 0.00 -1.03 0.00 0.00 54.13 55.35 1b2i s LEU 74 Cb -0.01 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1b2i s LEU 74 CO 0.00 -0.41 0.57 0.00 0.23 0.00 0.00 176.35 176.74 1b2i s ASP 76 N -3.83 6.59 -0.09 0.00 -1.08 -0.58 -4.55 116.67 113.13 1b2i s ASP 76 Ca 0.41 -2.46 -0.12 0.00 -0.52 0.00 0.00 52.55 49.87 1b2i s ASP 76 Cb -0.10 -2.20 -0.05 0.00 -1.46 0.00 0.00 42.92 39.11 1b2i s ASP 76 CO 0.35 -0.64 0.27 -0.63 0.52 0.00 0.00 175.17 175.04 1b2i s ILE 77 N 0.53 5.29 -0.02 4.11 1.09 -1.26 -4.89 121.20 126.05 1b2i s ILE 77 Ca 0.14 0.52 -0.30 0.00 -1.10 0.00 0.00 60.65 59.91 1b2i s ILE 77 Cb -0.15 -3.57 -0.03 0.00 -1.06 0.00 0.00 42.46 37.64 1b2i s ILE 77 CO -0.06 0.54 1.11 -2.16 -0.10 0.00 0.00 174.94 174.27 1b2i s PRO 78 N -0.59 4.44 0.49 2.79 0.04 -1.26 -4.95 135.00 135.95 1b2i s PRO 78 Ca 0.18 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 1b2i s PRO 78 Cb -0.14 -3.47 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 1b2i s PRO 78 CO 0.07 -0.28 1.10 0.50 0.04 0.00 0.00 177.00 178.43 1b2i s ARG 79 N 1.57 3.68 -0.11 4.56 3.52 -1.26 -2.36 118.95 128.55 1b2i s ARG 79 Ca 0.54 1.55 -0.29 0.00 -0.13 0.00 0.00 55.73 57.40 1b2i s ARG 79 Cb -0.24 -2.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 1b2i s ARG 79 CO 0.25 -0.57 1.58 0.00 -0.81 0.00 0.00 175.30 175.75