#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7l s LYS 2 N 0.00 3.39 -0.17 2.12 2.20 -1.26 -4.92 119.74 121.10 2b7l s LYS 2 Ca 0.00 0.11 -0.17 0.00 -0.36 0.00 0.00 55.97 55.55 2b7l s LYS 2 Cb 0.00 -4.08 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 2b7l s LYS 2 CO 0.00 -1.86 0.43 1.03 -0.36 0.00 0.00 175.35 174.59 2b7l s ARG 3 N 5.27 4.25 0.10 4.03 0.52 -1.26 -0.12 118.95 131.74 2b7l s ARG 3 Ca 0.41 0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.98 2b7l s ARG 3 Cb -0.08 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 2b7l s ARG 3 CO 0.22 0.05 -0.01 0.08 0.02 0.00 0.00 175.30 175.66 2b7l s VAL 4 N 1.00 3.93 0.05 3.52 1.01 0.11 0.38 120.40 130.39 2b7l s VAL 4 Ca 0.22 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2b7l s VAL 4 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2b7l s VAL 4 CO 0.08 0.11 -0.05 -0.51 0.00 0.00 0.00 175.10 174.73 2b7l s ILE 5 N -1.32 0.34 -0.11 2.22 2.07 -0.07 0.16 121.20 124.48 2b7l s ILE 5 Ca 0.25 -1.46 -0.23 0.00 -1.41 0.00 0.00 60.65 57.80 2b7l s ILE 5 Cb -0.11 -1.05 0.05 0.00 0.13 0.00 0.00 42.46 41.48 2b7l s ILE 5 CO 0.18 -0.73 0.55 0.28 -1.91 0.00 0.00 174.94 173.31 2b7l s THR 6 N -2.76 0.01 0.33 4.00 -1.32 -0.65 -0.53 115.64 114.72 2b7l s THR 6 Ca -0.01 -0.11 0.08 0.00 -1.21 0.00 0.00 61.69 60.44 2b7l s THR 6 Cb -0.01 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 2b7l s THR 6 CO -0.05 -0.06 0.15 -0.31 -2.21 0.00 0.00 174.62 172.14 2b7l s TYR 7 N -0.63 2.75 0.00 9.09 1.51 -1.26 -0.41 117.35 128.40 2b7l s TYR 7 Ca -0.07 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 2b7l s TYR 7 Cb -0.03 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 2b7l s TYR 7 CO 0.05 0.36 0.00 0.41 -1.11 0.00 0.00 175.55 175.26 2b7l n GLY 8 N -1.15 1.65 0.13 0.71 0.00 -1.07 -4.91 105.19 100.54 2b7l n GLY 8 Ca -0.03 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 2b7l n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2b7l n THR 9 N -1.06 1.72 -3.64 2.61 -1.04 -1.26 -1.19 114.28 110.41 2b7l n THR 9 Ca 0.00 -0.47 -0.26 0.00 -2.04 0.00 0.00 64.05 61.28 2b7l n THR 9 Cb 0.00 -1.83 0.02 0.00 -1.82 0.00 0.00 70.33 66.70 2b7l n THR 9 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2b7l n TYR 10 N -3.77 -2.08 0.00 -1.42 4.01 -1.26 -4.62 117.16 108.01 2b7l n TYR 10 Ca -0.32 0.64 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 2b7l n TYR 10 Cb 0.94 -3.30 0.00 0.00 -0.31 0.00 0.00 39.34 36.67 2b7l n TYR 10 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2b7l n ASP 11 N -2.44 0.00 -4.26 7.72 2.03 -1.26 -4.63 116.55 113.71 2b7l n ASP 11 Ca -0.14 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.74 2b7l n ASP 11 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 2b7l n ASP 11 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2b7l n LEU 12 N -0.30 5.71 -4.54 -2.67 4.32 -1.26 -4.83 117.00 113.43 2b7l n LEU 12 Ca 0.00 -4.44 -0.49 0.00 -0.02 0.00 0.00 56.01 51.06 2b7l n LEU 12 Cb 0.00 -1.60 -0.04 0.00 -1.62 0.00 0.00 43.42 40.16 2b7l n LEU 12 CO 0.00 0.88 0.57 0.18 -1.22 0.00 0.00 177.39 177.79 2b7l n LEU 13 N 5.45 0.93 -4.20 2.23 4.77 -1.26 -4.99 117.00 119.93 2b7l n LEU 13 Ca 0.40 1.15 -0.22 0.00 -0.03 0.00 0.00 56.01 57.31 2b7l n LEU 13 Cb 0.41 -1.15 -0.13 0.00 -2.33 0.00 0.00 43.42 40.22 2b7l n LEU 13 CO 0.71 -1.65 -0.49 -1.38 -1.33 0.00 0.00 177.39 173.25 2b7l s HIS 14 N -0.39 1.48 0.53 -1.77 -3.43 -1.26 -4.98 115.29 105.46 2b7l s HIS 14 Ca 0.72 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.59 2b7l s HIS 14 Cb -0.90 -0.85 0.00 0.00 -1.43 0.00 0.00 32.58 29.40 2b7l s HIS 14 CO 0.54 0.09 0.84 0.98 -2.00 0.00 0.00 174.74 175.20 2b7l n TYR 15 N 1.58 0.00 -0.21 0.38 9.36 -1.26 0.10 117.16 127.10 2b7l n TYR 15 Ca -0.19 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.00 2b7l n TYR 15 Cb 0.54 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.32 2b7l n TYR 15 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2b7l h GLY 16 N 0.00 0.89 0.99 2.98 0.00 -1.99 -0.50 103.07 105.44 2b7l h GLY 16 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 2b7l h GLY 16 CO 0.00 0.19 0.03 0.45 0.00 0.00 0.00 176.54 177.21 2b7l h HIS 17 N 0.69 0.91 -0.93 5.60 3.86 -0.74 -2.56 115.15 121.98 2b7l h HIS 17 Ca 0.26 -0.15 0.07 0.00 -1.16 0.00 0.00 60.37 59.39 2b7l h HIS 17 Cb 0.10 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 28.26 2b7l h HIS 17 CO -0.07 0.85 0.59 0.82 0.86 0.00 0.00 177.93 180.98 2b7l h ILE 18 N 0.70 1.04 -0.52 2.45 1.08 -1.55 -0.31 117.51 120.40 2b7l h ILE 18 Ca 0.14 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 2b7l h ILE 18 Cb 0.47 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 2b7l h ILE 18 CO 0.02 0.19 0.17 -0.08 -0.69 0.00 0.00 178.15 177.76 2b7l h GLU 19 N 1.05 0.80 0.15 2.37 4.57 -0.74 -0.26 114.58 122.53 2b7l h GLU 19 Ca 0.41 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2b7l h GLU 19 Cb 0.21 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2b7l h GLU 19 CO -0.19 0.74 -0.12 1.25 -1.18 0.00 0.00 179.01 179.51 2b7l h LEU 20 N 0.71 -0.31 -0.40 1.64 6.46 -0.92 -1.69 115.31 120.81 2b7l h LEU 20 Ca 0.17 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 2b7l h LEU 20 Cb 0.26 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 2b7l h LEU 20 CO -0.01 -0.19 0.14 -0.07 -0.62 0.00 0.00 178.44 177.69 2b7l h LEU 21 N -0.28 0.14 -0.18 2.25 3.38 -0.92 0.74 115.31 120.44 2b7l h LEU 21 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2b7l h LEU 21 Cb 0.25 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2b7l h LEU 21 CO -0.01 0.11 0.12 -0.09 0.09 0.00 0.00 178.44 178.66 2b7l h ARG 22 N 0.29 0.24 -0.78 1.13 2.43 -0.89 0.17 114.38 116.98 2b7l h ARG 22 Ca 0.18 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2b7l h ARG 22 Cb 0.17 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2b7l h ARG 22 CO -0.19 0.16 0.49 0.00 -1.51 0.00 0.00 179.97 178.93 2b7l h ARG 23 N 0.24 0.93 0.55 0.20 3.08 -0.93 0.62 114.38 119.07 2b7l h ARG 23 Ca 0.07 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2b7l h ARG 23 Cb -0.02 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 29.82 2b7l h ARG 23 CO -0.01 0.61 -0.27 0.00 -1.07 0.00 0.00 179.97 179.23 2b7l h ALA 24 N 1.33 -0.74 -0.33 0.04 0.00 -0.23 -2.39 119.26 116.93 2b7l h ALA 24 Ca 0.31 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2b7l h ALA 24 Cb 0.02 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2b7l h ALA 24 CO -0.12 -0.90 0.24 -0.09 0.00 0.00 0.00 179.25 178.39 2b7l h ARG 25 N -0.79 0.00 0.00 0.00 2.43 -0.39 -0.30 114.38 115.33 2b7l h ARG 25 Ca -0.08 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2b7l h ARG 25 Cb 0.59 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2b7l h ARG 25 CO 0.12 0.00 -0.03 1.49 -1.51 0.00 0.00 179.97 180.05 2b7l h GLU 26 N 0.00 0.00 -0.08 0.20 4.81 -0.35 -2.40 114.58 116.76 2b7l h GLU 26 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2b7l h GLU 26 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2b7l h GLU 26 CO -0.00 0.03 0.00 -1.33 -0.73 0.00 0.00 179.01 176.98 2b7l n MET 27 N -3.43 1.45 0.00 1.92 2.81 -0.12 -4.93 117.12 114.82 2b7l n MET 27 Ca -0.02 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.19 2b7l n MET 27 Cb 0.14 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 2b7l n MET 27 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2b7l n GLY 28 N 1.03 3.71 0.01 3.03 0.00 -0.90 -4.96 105.19 107.10 2b7l n GLY 28 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2b7l n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b7l n ASP 29 N 0.00 0.87 -3.66 1.61 8.00 0.83 -4.96 116.55 119.25 2b7l n ASP 29 Ca 0.00 -0.94 -0.07 0.00 0.71 0.00 0.00 54.79 54.49 2b7l n ASP 29 Cb 0.00 0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 41.16 2b7l n ASP 29 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2b7l s TYR 30 N -0.15 -0.92 -0.14 1.24 6.14 -1.18 -4.98 117.35 117.36 2b7l s TYR 30 Ca 0.00 1.80 0.00 0.00 0.64 0.00 0.00 57.07 59.52 2b7l s TYR 30 Cb 0.00 0.49 -0.01 0.00 0.42 0.00 0.00 41.96 42.87 2b7l s TYR 30 CO 0.00 -0.48 -0.15 -1.17 0.64 0.00 0.00 175.55 174.39 2b7l s LEU 31 N 1.89 2.55 -0.09 6.97 2.96 -1.26 0.08 118.68 131.77 2b7l s LEU 31 Ca -0.08 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2b7l s LEU 31 Cb -0.08 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2b7l s LEU 31 CO -0.16 0.12 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.33 2b7l s ILE 32 N 0.63 4.09 -0.16 6.68 1.01 0.12 -1.15 121.20 132.42 2b7l s ILE 32 Ca -0.08 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2b7l s ILE 32 Cb -0.16 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.61 2b7l s ILE 32 CO 0.03 0.59 -0.20 -0.69 0.00 0.00 0.00 174.94 174.67 2b7l s VAL 33 N -0.72 1.98 -0.73 2.92 1.01 0.56 -1.64 120.40 123.78 2b7l s VAL 33 Ca 0.11 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 2b7l s VAL 33 Cb -0.11 -1.78 0.12 0.00 0.00 0.00 0.00 36.38 34.60 2b7l s VAL 33 CO 0.02 0.53 0.88 0.00 0.00 0.00 0.00 175.10 176.53 2b7l s ALA 34 N 1.10 3.42 -0.08 5.51 0.00 0.45 -0.47 121.76 131.69 2b7l s ALA 34 Ca -0.01 -2.43 -0.30 0.00 0.00 0.00 0.00 51.96 49.23 2b7l s ALA 34 Cb -0.14 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 2b7l s ALA 34 CO -0.08 -2.61 1.15 -1.17 0.00 0.00 0.00 175.76 173.05 2b7l s LEU 35 N 2.68 4.26 0.12 0.00 2.96 0.18 -2.61 118.68 126.27 2b7l s LEU 35 Ca 0.20 1.73 -0.31 0.00 -0.22 0.00 0.00 54.13 55.53 2b7l s LEU 35 Cb -0.16 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 2b7l s LEU 35 CO 0.01 -0.56 1.70 -0.44 -1.32 0.00 0.00 176.35 175.75 2b7l s SER 36 N 1.39 6.52 0.97 3.68 0.01 -0.33 0.53 113.70 126.46 2b7l s SER 36 Ca 0.54 2.64 -0.12 0.00 1.31 0.00 0.00 55.95 60.32 2b7l s SER 36 Cb -0.23 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.60 2b7l s SER 36 CO 0.20 -0.92 1.09 0.42 0.41 0.00 0.00 173.24 174.44 2b7l s THR 37 N 2.24 2.31 0.29 1.44 -4.23 -0.79 -4.73 115.64 112.17 2b7l s THR 37 Ca 0.76 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 61.45 2b7l s THR 37 Cb -0.44 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 70.87 2b7l s THR 37 CO 0.33 -0.13 1.68 0.44 -0.54 0.00 0.00 174.62 176.40 2b7l h ASP 38 N -1.80 0.14 0.11 3.99 3.32 -1.93 0.33 116.42 120.58 2b7l h ASP 38 Ca -0.53 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 2b7l h ASP 38 Cb 1.31 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2b7l h ASP 38 CO 0.56 0.61 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.31 2b7l h GLU 39 N 0.11 -0.14 -0.14 3.56 3.07 -1.96 -1.19 114.58 117.89 2b7l h GLU 39 Ca 0.00 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.77 2b7l h GLU 39 Cb 0.91 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2b7l h GLU 39 CO 0.07 0.11 -0.36 0.35 -1.40 0.00 0.00 179.01 177.77 2b7l h PHE 40 N -0.38 0.34 -1.00 4.33 3.57 -1.77 -1.15 116.94 120.88 2b7l h PHE 40 Ca -0.01 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.48 2b7l h PHE 40 Cb 0.31 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 2b7l h PHE 40 CO 0.00 0.62 0.64 -0.97 -2.23 0.00 0.00 178.31 176.38 2b7l h ASN 41 N 0.25 1.00 -0.08 0.41 -0.00 -0.16 0.43 115.58 117.44 2b7l h ASN 41 Ca 0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.34 2b7l h ASN 41 Cb 0.76 -0.19 -0.00 0.00 -0.00 0.00 0.00 38.32 38.89 2b7l h ASN 41 CO 0.06 0.61 0.00 -0.61 -0.00 0.00 0.00 177.43 177.49 2b7l h GLN 42 N 1.12 0.13 -0.93 6.67 5.75 -0.23 -2.04 115.11 125.58 2b7l h GLN 42 Ca 0.45 -0.04 0.21 0.00 -0.15 0.00 0.00 58.65 59.12 2b7l h GLN 42 Cb 0.27 -0.01 -0.11 0.00 1.07 0.00 0.00 27.48 28.69 2b7l h GLN 42 CO -0.20 0.39 0.49 0.82 -2.65 0.00 0.00 178.83 177.68 2b7l h ILE 43 N -0.14 0.58 0.00 2.39 1.08 0.24 1.50 117.51 123.17 2b7l h ILE 43 Ca 0.02 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2b7l h ILE 43 Cb 0.33 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2b7l h ILE 43 CO 0.00 0.10 0.00 0.29 -0.69 0.00 0.00 178.15 177.86 2b7l n LYS 44 N -4.92 0.67 -3.03 2.37 5.02 0.13 -4.84 118.16 113.56 2b7l n LYS 44 Ca 0.23 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 2b7l n LYS 44 Cb 0.62 -1.19 0.06 0.00 -0.02 0.00 0.00 35.03 34.50 2b7l n LYS 44 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2b7l n HIS 45 N -0.69 -1.80 -3.87 2.13 8.25 0.51 -5.04 115.22 114.70 2b7l n HIS 45 Ca 0.06 0.71 -0.10 0.00 -0.26 0.00 0.00 57.72 58.14 2b7l n HIS 45 Cb 0.03 -4.17 -0.08 0.00 1.12 0.00 0.00 29.99 26.88 2b7l n HIS 45 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2b7l s LYS 46 N -4.69 0.72 -0.45 -0.41 -0.14 -0.81 -5.02 119.74 108.94 2b7l s LYS 46 Ca 0.14 -0.78 0.04 0.00 -1.36 0.00 0.00 55.97 54.02 2b7l s LYS 46 Cb -0.02 0.29 0.18 0.00 -1.68 0.00 0.00 37.83 36.60 2b7l s LYS 46 CO 0.58 -0.21 0.38 1.17 -0.76 0.00 0.00 175.35 176.51 2b7l n LYS 47 N 0.44 0.48 -1.36 1.68 4.81 -1.26 -3.29 118.16 119.66 2b7l n LYS 47 Ca -0.17 -3.38 -0.42 0.00 -0.87 0.00 0.00 58.31 53.46 2b7l n LYS 47 Cb 0.60 -1.74 -0.00 0.00 0.02 0.00 0.00 35.03 33.91 2b7l n LYS 47 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2b7l n SER 48 N 2.59 -2.11 -0.03 3.14 3.41 -1.26 -4.89 113.62 114.47 2b7l n SER 48 Ca 0.28 0.86 -0.16 0.00 -0.26 0.00 0.00 58.87 59.59 2b7l n SER 48 Cb 0.46 -0.97 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 2b7l n SER 48 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2b7l h TYR 49 N 0.51 0.67 -2.78 7.33 3.20 -2.00 -3.43 116.97 120.47 2b7l h TYR 49 Ca -0.38 -0.29 -0.65 0.00 3.14 0.00 0.00 58.73 60.55 2b7l h TYR 49 Cb 1.43 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 39.52 2b7l h TYR 49 CO 0.32 1.06 -0.46 0.71 -1.64 0.00 0.00 178.16 178.15 2b7l s TYR 50 N -3.70 3.58 0.69 -3.82 2.02 -1.26 -5.09 117.35 109.76 2b7l s TYR 50 Ca -0.13 0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 57.00 2b7l s TYR 50 Cb 0.05 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 2b7l s TYR 50 CO 0.82 0.65 1.06 0.16 -1.57 0.00 0.00 175.55 176.67 2b7l s ASP 51 N -0.78 5.46 0.21 2.29 3.84 -1.26 -4.71 116.67 121.71 2b7l s ASP 51 Ca 0.15 1.57 -0.21 0.00 -0.00 0.00 0.00 52.55 54.05 2b7l s ASP 51 Cb -0.12 -2.46 0.15 0.00 -1.38 0.00 0.00 42.92 39.11 2b7l s ASP 51 CO 0.04 -1.39 1.51 0.00 -0.00 0.00 0.00 175.17 175.33 2b7l n TYR 52 N -3.09 -0.10 -0.05 2.11 9.36 -1.26 -0.93 117.16 123.20 2b7l n TYR 52 Ca 0.07 1.21 -0.07 0.00 3.32 0.00 0.00 57.90 62.43 2b7l n TYR 52 Cb 0.54 -0.79 -0.01 0.00 -0.63 0.00 0.00 39.34 38.45 2b7l n TYR 52 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2b7l h GLU 53 N 0.00 -0.14 -0.72 2.98 4.39 -1.97 0.37 114.58 119.48 2b7l h GLU 53 Ca 0.29 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 2b7l h GLU 53 Cb 0.53 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 2b7l h GLU 53 CO -0.96 -0.09 0.39 1.96 -1.16 0.00 0.00 179.01 179.15 2b7l h GLN 54 N -0.14 1.01 -0.49 2.33 4.20 -1.58 0.67 115.11 121.11 2b7l h GLN 54 Ca 0.14 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2b7l h GLN 54 Cb 0.35 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2b7l h GLN 54 CO -0.34 0.76 0.02 0.00 -0.67 0.00 0.00 178.83 178.60 2b7l h ARG 55 N 1.00 0.80 -0.14 1.46 3.08 -0.45 -2.15 114.38 117.99 2b7l h ARG 55 Ca 0.25 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2b7l h ARG 55 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2b7l h ARG 55 CO -0.04 0.79 0.02 -0.22 -1.07 0.00 0.00 179.97 179.45 2b7l h LYS 56 N 0.75 0.23 -0.81 0.04 3.64 0.41 -1.88 116.57 118.96 2b7l h LYS 56 Ca 0.15 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 2b7l h LYS 56 Cb 0.43 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 2b7l h LYS 56 CO 0.02 0.43 0.48 1.98 -2.27 0.00 0.00 179.45 180.08 2b7l h MET 57 N -0.00 0.81 -0.12 1.90 4.05 -0.67 -0.32 114.93 120.58 2b7l h MET 57 Ca 0.04 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2b7l h MET 57 Cb 0.31 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2b7l h MET 57 CO 0.00 0.54 0.01 1.98 0.23 0.00 0.00 176.91 179.67 2b7l h MET 58 N 0.84 0.20 -0.17 0.39 1.85 -1.28 -2.49 114.93 114.27 2b7l h MET 58 Ca 0.37 -0.06 0.04 0.00 -0.61 0.00 0.00 59.70 59.44 2b7l h MET 58 Cb 0.26 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.24 2b7l h MET 58 CO -0.21 0.42 -0.05 -0.07 -0.40 0.00 0.00 176.91 176.60 2b7l h LEU 59 N -0.04 -0.19 -2.12 3.39 3.38 -0.84 -1.68 115.31 117.20 2b7l h LEU 59 Ca 0.04 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2b7l h LEU 59 Cb 0.33 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2b7l h LEU 59 CO 0.00 -0.07 0.23 -0.33 0.09 0.00 0.00 178.44 178.36 2b7l h GLU 60 N -0.02 0.00 0.00 1.13 5.08 -0.99 0.19 114.58 119.97 2b7l h GLU 60 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2b7l h GLU 60 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2b7l h GLU 60 CO -0.18 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.70 2b7l n SER 61 N -4.07 0.00 -4.67 1.42 3.41 -0.64 -4.76 113.62 104.32 2b7l n SER 61 Ca 0.03 0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 58.55 2b7l n SER 61 Cb 0.38 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 2b7l n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2b7l s ILE 62 N -2.87 4.85 0.41 -1.33 -1.09 0.68 -4.94 121.20 116.90 2b7l s ILE 62 Ca 0.16 1.69 0.27 0.00 -2.23 0.00 0.00 60.65 60.54 2b7l s ILE 62 Cb 0.17 -4.16 0.44 0.00 -1.58 0.00 0.00 42.46 37.32 2b7l s ILE 62 CO 0.45 -0.01 1.59 0.03 -1.23 0.00 0.00 174.94 175.77 2b7l h ARG 63 N 7.37 0.03 0.00 2.79 3.08 -1.86 0.13 114.38 125.93 2b7l h ARG 63 Ca -0.28 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2b7l h ARG 63 Cb 1.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2b7l h ARG 63 CO 0.86 0.02 -0.30 0.66 -1.07 0.00 0.00 179.97 180.14 2b7l n TYR 64 N -4.93 0.53 -3.10 3.04 4.01 -1.26 -4.78 117.16 110.66 2b7l n TYR 64 Ca 0.39 0.15 -0.41 0.00 -0.16 0.00 0.00 57.90 57.87 2b7l n TYR 64 Cb 1.42 -0.68 -0.06 0.00 -0.31 0.00 0.00 39.34 39.71 2b7l n TYR 64 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2b7l s VAL 65 N -3.10 4.94 -0.13 -0.72 1.01 0.46 -4.42 120.40 118.45 2b7l s VAL 65 Ca 0.10 0.94 0.18 0.00 0.00 0.00 0.00 61.98 63.19 2b7l s VAL 65 Cb 0.14 -4.00 -0.19 0.00 0.00 0.00 0.00 36.38 32.34 2b7l s VAL 65 CO 0.65 -0.11 0.61 0.47 0.00 0.00 0.00 175.10 176.71 2b7l n ASP 66 N 5.87 0.54 -3.63 3.32 8.00 -0.30 -4.81 116.55 125.53 2b7l n ASP 66 Ca -0.01 0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.62 2b7l n ASP 66 Cb 0.49 0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 42.16 2b7l n ASP 66 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2b7l s LEU 67 N -5.51 -0.58 -0.13 0.64 2.96 -0.95 -4.97 118.68 110.13 2b7l s LEU 67 Ca -0.05 1.12 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 2b7l s LEU 67 Cb 0.09 2.15 0.01 0.00 0.50 0.00 0.00 46.19 48.94 2b7l s LEU 67 CO 0.83 -0.20 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.75 2b7l s VAL 68 N 0.25 2.00 0.20 1.68 1.01 -1.26 -0.32 120.40 123.95 2b7l s VAL 68 Ca 0.01 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.15 2b7l s VAL 68 Cb -0.05 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2b7l s VAL 68 CO -0.03 0.54 -0.21 0.27 0.00 0.00 0.00 175.10 175.67 2b7l s ILE 69 N 0.72 2.17 0.06 2.22 -4.36 0.38 -4.95 121.20 117.44 2b7l s ILE 69 Ca -0.10 -2.05 -0.30 0.00 -0.26 0.00 0.00 60.65 57.94 2b7l s ILE 69 Cb -0.16 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 2b7l s ILE 69 CO 0.01 -0.24 1.03 -2.16 0.24 0.00 0.00 174.94 173.81 2b7l s PRO 70 N -2.86 4.58 -0.51 0.37 0.04 -1.26 0.52 135.00 135.87 2b7l s PRO 70 Ca 0.20 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 2b7l s PRO 70 Cb -0.07 -3.40 0.10 0.00 0.04 0.00 0.00 34.50 31.17 2b7l s PRO 70 CO 0.09 -0.00 0.49 -2.00 0.04 0.00 0.00 177.00 175.62 2b7l s GLU 71 N 0.59 3.00 0.03 4.56 2.12 0.19 -4.80 118.70 124.40 2b7l s GLU 71 Ca 0.52 -1.45 0.23 0.00 0.36 0.00 0.00 54.97 54.62 2b7l s GLU 71 Cb -0.24 -4.21 0.07 0.00 0.26 0.00 0.00 34.13 30.01 2b7l s GLU 71 CO 0.29 -1.22 1.06 1.63 -0.54 0.00 0.00 175.26 176.49 2b7l n LYS 72 N 5.43 0.20 -3.81 4.30 5.02 -1.26 -1.89 118.16 126.15 2b7l n LYS 72 Ca -0.12 -0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.13 2b7l n LYS 72 Cb 0.42 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2b7l n LYS 72 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2b7l s GLY 73 N -3.46 -0.07 0.26 0.72 0.00 -1.26 -4.52 107.32 98.99 2b7l s GLY 73 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.73 2b7l s GLY 73 CO 0.80 1.17 1.64 1.49 0.00 0.00 0.00 173.10 178.19 2b7l h TRP 74 N 2.00 0.42 -1.78 1.90 4.06 -1.99 -3.34 115.95 117.22 2b7l h TRP 74 Ca -0.26 -0.13 -0.74 0.00 2.06 0.00 0.00 58.89 59.82 2b7l h TRP 74 Cb 1.22 -0.09 -0.28 0.00 -1.00 0.00 0.00 29.16 29.01 2b7l h TRP 74 CO 0.86 0.74 0.93 0.41 -3.56 0.00 0.00 178.44 177.82 2b7l n GLY 75 N -0.04 5.62 0.00 1.49 0.00 -1.26 -4.36 105.19 106.64 2b7l n GLY 75 Ca -0.02 -2.47 0.01 0.00 0.00 0.00 0.00 46.02 43.55 2b7l n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b7l n GLN 76 N -0.61 3.74 0.00 1.61 10.64 -1.25 -4.79 117.38 126.72 2b7l n GLN 76 Ca 0.55 -0.01 -0.08 0.00 -1.83 0.00 0.00 57.00 55.63 2b7l n GLN 76 Cb 0.34 -0.80 -0.05 0.00 -0.86 0.00 0.00 30.24 28.86 2b7l n GLN 76 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2b7l h LYS 77 N 0.00 -0.30 -0.80 2.61 1.57 -1.86 0.63 116.57 118.42 2b7l h LYS 77 Ca 0.00 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.98 2b7l h LYS 77 Cb 0.09 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.32 2b7l h LYS 77 CO 0.00 -0.20 -0.07 0.93 -0.57 0.00 0.00 179.45 179.54 2b7l h GLU 78 N -0.31 0.05 -0.22 3.15 5.08 -1.93 0.19 114.58 120.59 2b7l h GLU 78 Ca 0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2b7l h GLU 78 Cb 0.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2b7l h GLU 78 CO -0.21 0.03 0.08 0.22 -1.00 0.00 0.00 179.01 178.13 2b7l h ASP 79 N 0.05 0.31 -0.03 1.42 1.82 -1.64 -2.83 116.42 115.52 2b7l h ASP 79 Ca 0.43 -0.18 0.04 0.00 -0.39 0.00 0.00 57.03 56.92 2b7l h ASP 79 Cb 0.74 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.62 2b7l h ASP 79 CO -0.76 0.41 -0.27 0.44 -1.61 0.00 0.00 179.24 177.45 2b7l h ASP 80 N 0.20 -0.81 -0.85 2.28 3.32 0.29 0.21 116.42 121.06 2b7l h ASP 80 Ca 0.07 0.11 0.22 0.00 0.02 0.00 0.00 57.03 57.45 2b7l h ASP 80 Cb 0.20 0.33 -0.14 0.00 0.22 0.00 0.00 39.33 39.94 2b7l h ASP 80 CO -0.00 -0.33 0.15 0.58 -1.72 0.00 0.00 179.24 177.91 2b7l h VAL 81 N -0.39 0.29 0.02 -1.35 2.07 -0.65 0.28 116.25 116.52 2b7l h VAL 81 Ca 0.07 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2b7l h VAL 81 Cb 0.49 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2b7l h VAL 81 CO -0.25 0.03 -0.01 -0.08 0.02 0.00 0.00 177.57 177.28 2b7l h GLU 82 N 0.16 -0.02 -0.71 1.57 4.57 -1.14 0.88 114.58 119.87 2b7l h GLU 82 Ca 0.51 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.82 2b7l h GLU 82 Cb 1.01 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.55 2b7l h GLU 82 CO -0.68 0.68 0.47 -0.22 -1.18 0.00 0.00 179.01 178.08 2b7l h LYS 83 N -0.78 0.48 -0.41 1.92 3.64 0.43 -2.12 116.57 119.73 2b7l h LYS 83 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2b7l h LYS 83 Cb 0.72 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2b7l h LYS 83 CO 0.00 0.32 0.00 1.19 -2.27 0.00 0.00 179.45 178.69 2b7l n PHE 84 N -4.48 0.88 -3.82 1.91 3.01 0.89 -4.98 117.46 110.87 2b7l n PHE 84 Ca 0.13 -0.64 -0.24 0.00 1.01 0.00 0.00 57.45 57.70 2b7l n PHE 84 Cb 0.43 -0.17 0.01 0.00 -0.01 0.00 0.00 39.48 39.73 2b7l n PHE 84 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2b7l n ASP 85 N 0.38 -1.07 -4.71 4.37 2.03 -0.80 -4.90 116.55 111.86 2b7l n ASP 85 Ca 0.19 -0.93 -0.42 0.00 0.52 0.00 0.00 54.79 54.15 2b7l n ASP 85 Cb 0.69 -3.50 -0.03 0.00 -0.72 0.00 0.00 41.12 37.56 2b7l n ASP 85 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2b7l s VAL 86 N -3.80 4.56 -0.20 5.18 1.01 0.26 -4.53 120.40 122.88 2b7l s VAL 86 Ca 0.04 1.84 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 2b7l s VAL 86 Cb -0.01 -4.18 -0.21 0.00 0.00 0.00 0.00 36.38 31.98 2b7l s VAL 86 CO 0.85 0.13 0.03 0.47 0.00 0.00 0.00 175.10 176.59 2b7l n ASP 87 N 3.98 2.03 -4.15 3.32 8.00 0.16 -4.82 116.55 125.08 2b7l n ASP 87 Ca 0.07 0.01 -0.27 0.00 0.71 0.00 0.00 54.79 55.31 2b7l n ASP 87 Cb 0.49 -0.60 -0.16 0.00 -0.02 0.00 0.00 41.12 40.83 2b7l n ASP 87 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2b7l s VAL 88 N -2.54 1.55 -0.26 2.53 1.01 -0.52 -1.27 120.40 120.90 2b7l s VAL 88 Ca -0.29 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 2b7l s VAL 88 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2b7l s VAL 88 CO 0.67 0.44 0.02 0.12 0.00 0.00 0.00 175.10 176.36 2b7l s PHE 89 N 0.12 3.08 -0.01 5.22 2.19 0.32 -0.90 117.98 128.01 2b7l s PHE 89 Ca -0.07 -1.02 0.08 0.00 0.33 0.00 0.00 56.93 56.25 2b7l s PHE 89 Cb -0.13 -2.18 -0.02 0.00 -1.31 0.00 0.00 43.02 39.38 2b7l s PHE 89 CO 0.03 -0.58 -0.24 0.08 1.83 0.00 0.00 175.22 176.35 2b7l s VAL 90 N 1.47 2.24 0.13 3.12 1.01 0.31 0.27 120.40 128.95 2b7l s VAL 90 Ca 0.03 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 2b7l s VAL 90 Cb -0.16 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2b7l s VAL 90 CO -0.00 0.53 0.26 -0.04 0.00 0.00 0.00 175.10 175.85 2b7l s MET 91 N -0.78 1.04 0.97 2.72 -1.94 -0.75 -4.18 119.30 116.38 2b7l s MET 91 Ca 0.11 -1.07 -0.12 0.00 -1.71 0.00 0.00 55.69 52.91 2b7l s MET 91 Cb -0.10 0.37 0.17 0.00 2.01 0.00 0.00 34.83 37.28 2b7l s MET 91 CO 0.00 -0.37 1.09 0.20 -0.01 0.00 0.00 175.02 175.93 2b7l s GLY 92 N -2.92 1.61 0.45 -0.03 0.00 -1.26 -0.78 107.32 104.39 2b7l s GLY 92 Ca 0.12 0.02 0.11 0.00 0.00 0.00 0.00 44.72 44.97 2b7l s GLY 92 CO -0.05 0.56 2.08 0.84 0.00 0.00 0.00 173.10 176.53 2b7l h HIS 93 N -1.87 0.34 0.00 1.90 2.76 -1.48 -2.26 115.15 114.54 2b7l h HIS 93 Ca -0.51 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 2b7l h HIS 93 Cb 1.29 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2b7l h HIS 93 CO 0.40 0.21 0.00 -0.25 -1.30 0.00 0.00 177.93 176.99 2b7l n ASP 94 N -4.49 0.00 -0.03 3.26 9.92 -1.26 -1.16 116.55 122.78 2b7l n ASP 94 Ca 0.02 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.42 2b7l n ASP 94 Cb 0.10 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 2b7l n ASP 94 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2b7l n TRP 95 N -0.51 0.00 -1.38 1.24 7.02 -0.85 -5.02 117.44 117.95 2b7l n TRP 95 Ca 0.00 0.00 -0.54 0.00 -1.02 0.00 0.00 57.50 55.94 2b7l n TRP 95 Cb 0.00 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.82 2b7l n TRP 95 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2b7l n GLU 96 N -0.01 0.00 0.00 -0.99 2.13 -0.31 0.08 120.64 121.54 2b7l n GLU 96 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2b7l n GLU 96 Cb 0.02 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.39 2b7l n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b7l n GLY 97 N 1.75 2.57 0.31 8.31 0.00 -1.26 -4.83 105.19 112.03 2b7l n GLY 97 Ca 0.20 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.41 2b7l n GLY 97 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2b7l h GLU 98 N 0.10 0.00 0.00 1.61 4.57 -0.75 -3.07 114.58 117.05 2b7l h GLU 98 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2b7l h GLU 98 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2b7l h GLU 98 CO 0.00 0.00 -0.35 1.19 -1.18 0.00 0.00 179.01 178.67 2b7l n PHE 99 N -2.91 0.00 0.18 0.92 3.72 -1.26 -4.83 117.46 113.28 2b7l n PHE 99 Ca -0.03 -0.53 0.19 0.00 -0.05 0.00 0.00 57.45 57.03 2b7l n PHE 99 Cb 0.11 -0.11 0.80 0.00 -0.94 0.00 0.00 39.48 39.34 2b7l n PHE 99 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2b7l h ASP 100 N 0.15 0.00 0.02 4.37 5.19 -1.90 -1.37 116.42 122.87 2b7l h ASP 100 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2b7l h ASP 100 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2b7l h ASP 100 CO 0.01 0.00 0.00 2.22 -3.12 0.00 0.00 179.24 178.35 2b7l n PHE 101 N -3.57 0.74 0.66 4.55 -1.74 -1.26 -0.24 117.46 116.58 2b7l n PHE 101 Ca 0.04 0.38 0.12 0.00 -0.56 0.00 0.00 57.45 57.43 2b7l n PHE 101 Cb 0.47 -1.11 0.24 0.00 1.52 0.00 0.00 39.48 40.61 2b7l n PHE 101 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2b7l n LEU 102 N -2.26 0.66 -0.30 5.98 4.77 -0.52 -4.17 117.00 121.16 2b7l n LEU 102 Ca -0.01 0.27 0.32 0.00 -0.03 0.00 0.00 56.01 56.56 2b7l n LEU 102 Cb 0.04 -0.23 0.70 0.00 -2.33 0.00 0.00 43.42 41.60 2b7l n LEU 102 CO 0.10 -0.05 1.29 0.11 -1.33 0.00 0.00 177.39 177.51 2b7l h LYS 103 N 0.00 0.07 -0.00 3.23 1.57 -0.75 0.58 116.57 121.26 2b7l h LYS 103 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b7l h LYS 103 Cb 0.70 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2b7l h LYS 103 CO 0.00 0.05 -0.10 -0.40 -0.57 0.00 0.00 179.45 178.42 2b7l n ASP 104 N -4.28 0.14 -0.04 0.86 5.75 -1.26 -3.76 116.55 113.96 2b7l n ASP 104 Ca 0.24 0.19 -0.02 0.00 -0.01 0.00 0.00 54.79 55.19 2b7l n ASP 104 Cb 1.13 -0.30 -0.09 0.00 -1.03 0.00 0.00 41.12 40.83 2b7l n ASP 104 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2b7l n LYS 105 N -1.43 1.66 -3.83 0.11 4.76 0.19 -5.08 118.16 114.54 2b7l n LYS 105 Ca 0.08 -0.04 -0.06 0.00 -2.87 0.00 0.00 58.31 55.43 2b7l n LYS 105 Cb 0.32 -1.29 0.01 0.00 -1.84 0.00 0.00 35.03 32.24 2b7l n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b7l s GLU 107 N -2.58 4.19 -0.23 0.00 2.12 -0.40 -4.03 118.70 117.77 2b7l s GLU 107 Ca 0.16 1.49 -0.10 0.00 0.36 0.00 0.00 54.97 56.89 2b7l s GLU 107 Cb -0.04 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.55 2b7l s GLU 107 CO 0.08 -0.76 0.15 0.08 -0.54 0.00 0.00 175.26 174.27 2b7l s VAL 108 N 3.56 5.33 -0.06 3.70 1.01 -1.26 0.12 120.40 132.79 2b7l s VAL 108 Ca 0.52 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.67 2b7l s VAL 108 Cb -0.19 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.75 2b7l s VAL 108 CO 0.14 0.37 -0.06 -0.63 0.00 0.00 0.00 175.10 174.92 2b7l s ILE 109 N 0.86 0.70 -0.31 2.22 -1.09 0.14 -4.94 121.20 118.77 2b7l s ILE 109 Ca 0.07 -0.19 -0.08 0.00 -2.23 0.00 0.00 60.65 58.22 2b7l s ILE 109 Cb -0.13 -0.71 0.01 0.00 -1.58 0.00 0.00 42.46 40.05 2b7l s ILE 109 CO 0.03 0.27 0.12 -0.31 -1.23 0.00 0.00 174.94 173.82 2b7l s TYR 110 N 1.02 3.18 0.96 3.97 2.02 -1.26 -1.81 117.35 125.43 2b7l s TYR 110 Ca -0.09 -0.89 -0.11 0.00 -0.37 0.00 0.00 57.07 55.60 2b7l s TYR 110 Cb -0.14 -2.31 0.17 0.00 -0.40 0.00 0.00 41.96 39.28 2b7l s TYR 110 CO -0.00 -0.56 1.09 -0.51 -1.57 0.00 0.00 175.55 173.99 2b7l s LEU 111 N 1.53 2.05 0.00 -1.29 1.43 0.04 -4.75 118.68 117.69 2b7l s LEU 111 Ca 0.03 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2b7l s LEU 111 Cb -0.18 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2b7l s LEU 111 CO 0.04 -3.11 0.00 2.29 0.23 0.00 0.00 176.35 175.80 2b7l n LYS 112 N -4.21 0.00 -0.11 1.70 0.00 -1.26 -1.70 118.16 112.59 2b7l n LYS 112 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.37 2b7l n LYS 112 Cb 0.54 -0.09 -0.01 0.00 -0.00 0.00 0.00 35.03 35.48 2b7l n LYS 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2b7l n ARG 113 N -0.42 0.22 -2.98 -1.58 1.74 -1.26 -4.46 116.66 107.92 2b7l n ARG 113 Ca 0.00 -0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.67 2b7l n ARG 113 Cb 0.00 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 2b7l n ARG 113 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2b7l n THR 114 N 2.34 4.40 0.00 0.55 -2.24 -1.26 -4.98 114.28 113.08 2b7l n THR 114 Ca 0.03 -5.72 0.00 0.00 -2.27 0.00 0.00 64.05 56.09 2b7l n THR 114 Cb 0.10 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 2b7l n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88