#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b6m s TYR 3 N 0.00 3.27 -0.09 2.61 4.12 -1.26 -4.79 117.35 121.21 2b6m s TYR 3 Ca 0.00 -1.58 0.03 0.00 0.02 0.00 0.00 57.07 55.54 2b6m s TYR 3 Cb 0.00 -4.21 -0.01 0.00 -1.52 0.00 0.00 41.96 36.22 2b6m s TYR 3 CO 0.00 -1.40 -0.19 -1.21 0.02 0.00 0.00 175.55 172.77 2b6m s GLU 4 N 2.15 2.97 -0.62 -0.62 0.41 -1.26 -5.04 118.70 116.68 2b6m s GLU 4 Ca 0.32 -0.78 -0.26 0.00 -0.41 0.00 0.00 54.97 53.83 2b6m s GLU 4 Cb -0.05 -2.40 -0.11 0.00 -1.78 0.00 0.00 34.13 29.78 2b6m s GLU 4 CO -0.08 0.31 2.44 -3.47 -0.49 0.00 0.00 175.26 173.97 2b6m n ASP 5 N 3.19 1.87 0.00 -0.19 2.03 -1.26 0.16 116.55 122.35 2b6m n ASP 5 Ca -0.18 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.49 2b6m n ASP 5 Cb 0.52 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 2b6m n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b6m n GLY 6 N 6.21 0.94 0.00 0.27 0.00 -0.08 -4.91 105.19 107.62 2b6m n GLY 6 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2b6m n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2b6m n LYS 7 N 0.00 0.00 0.31 1.61 -0.00 0.12 -4.74 118.16 115.46 2b6m n LYS 7 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 2b6m n LYS 7 Cb 0.00 0.00 0.99 0.00 -0.00 0.00 0.00 35.03 36.02 2b6m n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2b6m h GLN 8 N 0.00 0.00 0.00 -1.58 7.50 -1.70 -3.39 115.11 115.94 2b6m h GLN 8 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2b6m h GLN 8 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2b6m h GLN 8 CO 0.00 0.02 0.00 2.48 -1.50 0.00 0.00 178.83 179.83 2b6m n TYR 9 N -3.46 0.00 -3.68 2.96 4.11 -1.26 -0.66 117.16 115.18 2b6m n TYR 9 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.79 2b6m n TYR 9 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.44 2b6m n TYR 9 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2b6m s THR 10 N -2.29 0.00 0.38 -3.48 -4.23 -0.95 -0.90 115.64 104.17 2b6m s THR 10 Ca 0.00 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 60.02 2b6m s THR 10 Cb 0.00 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 72.18 2b6m s THR 10 CO 0.00 0.00 0.14 -0.89 -0.54 0.00 0.00 174.62 173.33 2b6m s THR 11 N -3.75 2.50 -0.15 3.99 2.01 -1.26 -0.98 115.64 118.00 2b6m s THR 11 Ca 0.07 -1.75 -0.08 0.00 0.31 0.00 0.00 61.69 60.24 2b6m s THR 11 Cb -0.04 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 2b6m s THR 11 CO -0.01 -0.07 0.13 -0.76 -0.69 0.00 0.00 174.62 173.21 2b6m s LEU 12 N -3.86 4.27 0.35 4.42 1.02 -0.55 -4.89 118.68 119.45 2b6m s LEU 12 Ca 0.39 0.36 0.09 0.00 0.02 0.00 0.00 54.13 54.99 2b6m s LEU 12 Cb 0.02 -2.06 0.65 0.00 0.02 0.00 0.00 46.19 44.81 2b6m s LEU 12 CO 0.22 0.32 1.82 1.05 0.02 0.00 0.00 176.35 179.77 2b6m h GLU 13 N 5.66 0.19 -2.91 1.70 4.11 -2.00 -3.33 114.58 118.01 2b6m h GLU 13 Ca -0.49 -0.07 -0.61 0.00 0.07 0.00 0.00 59.36 58.26 2b6m h GLU 13 Cb 1.20 -0.01 -0.41 0.00 0.50 0.00 0.00 28.75 30.03 2b6m h GLU 13 CO 0.65 0.47 -0.70 0.15 0.07 0.00 0.00 179.01 179.65 2b6m s LYS 14 N -4.40 1.91 0.20 1.06 1.02 -1.26 -5.11 119.74 113.16 2b6m s LYS 14 Ca -0.05 -2.85 -0.32 0.00 0.02 0.00 0.00 55.97 52.77 2b6m s LYS 14 Cb 0.14 -2.79 -0.12 0.00 -0.52 0.00 0.00 37.83 34.54 2b6m s LYS 14 CO 0.75 -1.29 1.71 -0.35 -0.92 0.00 0.00 175.35 175.25 2b6m n PRO 15 N 2.43 2.70 -2.36 -1.68 -0.04 -1.25 -4.95 135.00 129.85 2b6m n PRO 15 Ca 0.20 0.98 -0.42 0.00 -0.04 0.00 0.00 63.50 64.22 2b6m n PRO 15 Cb 0.38 -2.82 -0.03 0.00 -0.04 0.00 0.00 33.50 30.99 2b6m n PRO 15 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2b6m s VAL 16 N 1.24 3.66 0.18 0.52 1.01 -0.42 -4.99 120.40 121.61 2b6m s VAL 16 Ca 0.76 1.31 -0.08 0.00 0.00 0.00 0.00 61.98 63.96 2b6m s VAL 16 Cb -0.53 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 2b6m s VAL 16 CO 0.33 0.17 0.48 0.00 0.00 0.00 0.00 175.10 176.08 2b6m s ALA 17 N 0.40 3.65 -0.92 5.51 0.00 -1.26 -4.33 121.76 124.81 2b6m s ALA 17 Ca 0.56 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 2b6m s ALA 17 Cb -0.32 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2b6m s ALA 17 CO 0.34 0.56 0.79 0.41 0.00 0.00 0.00 175.76 177.86 2b6m n GLY 18 N 0.10 -0.54 3.55 0.00 0.00 -1.26 -5.02 105.19 102.02 2b6m n GLY 18 Ca -0.02 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2b6m n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b6m s ALA 19 N -3.31 2.87 0.46 4.61 0.00 -1.26 -5.09 121.76 120.04 2b6m s ALA 19 Ca 0.20 -1.23 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 2b6m s ALA 19 Cb -0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 23.12 22.15 2b6m s ALA 19 CO 0.61 0.62 1.20 -2.30 0.00 0.00 0.00 175.76 175.89 2b6m n PRO 20 N 0.91 1.67 -0.24 0.00 -0.02 -1.26 -4.67 135.00 131.39 2b6m n PRO 20 Ca -0.14 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 61.92 2b6m n PRO 20 Cb 0.52 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.73 2b6m n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2b6m h GLN 21 N 1.72 -0.07 -4.09 -0.52 4.20 -1.94 -3.30 115.11 111.10 2b6m h GLN 21 Ca -0.48 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.68 2b6m h GLN 21 Cb 1.31 0.02 -0.38 0.00 0.30 0.00 0.00 27.48 28.72 2b6m h GLN 21 CO 0.58 -0.05 -0.78 0.08 -0.67 0.00 0.00 178.83 177.99 2b6m s VAL 22 N -6.11 1.10 -0.22 -0.54 1.01 -1.24 0.20 120.40 114.61 2b6m s VAL 22 Ca -0.14 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2b6m s VAL 22 Cb 0.19 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2b6m s VAL 22 CO 0.72 0.01 -0.12 -0.22 0.00 0.00 0.00 175.10 175.48 2b6m s LEU 23 N 1.62 2.73 -0.06 3.92 0.20 -0.08 -1.80 118.68 125.20 2b6m s LEU 23 Ca -0.01 -0.78 -0.05 0.00 0.69 0.00 0.00 54.13 53.98 2b6m s LEU 23 Cb -0.16 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 2b6m s LEU 23 CO -0.07 -0.07 0.17 -0.70 -0.29 0.00 0.00 176.35 175.39 2b6m s GLU 24 N 1.30 3.46 -0.14 1.98 2.12 0.23 -0.57 118.70 127.08 2b6m s GLU 24 Ca 0.02 -0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.17 2b6m s GLU 24 Cb -0.15 -3.14 -0.00 0.00 0.26 0.00 0.00 34.13 31.09 2b6m s GLU 24 CO -0.08 0.73 -0.18 -0.06 -0.54 0.00 0.00 175.26 175.13 2b6m s PHE 25 N -1.17 2.72 0.28 5.30 0.08 0.27 -0.41 117.98 125.05 2b6m s PHE 25 Ca 0.21 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.23 2b6m s PHE 25 Cb -0.12 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2b6m s PHE 25 CO 0.11 -0.45 0.30 -0.59 -0.10 0.00 0.00 175.22 174.49 2b6m s PHE 26 N 0.64 1.24 -0.16 0.36 -0.71 -0.26 -1.25 117.98 117.84 2b6m s PHE 26 Ca -0.09 -1.38 -0.08 0.00 -1.04 0.00 0.00 56.93 54.34 2b6m s PHE 26 Cb -0.16 -0.41 0.06 0.00 -1.21 0.00 0.00 43.02 41.30 2b6m s PHE 26 CO 0.02 -0.87 0.39 0.45 -1.34 0.00 0.00 175.22 173.87 2b6m s SER 27 N -3.23 -0.40 0.56 1.98 0.15 -1.26 -1.23 113.70 110.26 2b6m s SER 27 Ca 0.36 0.85 0.25 0.00 0.70 0.00 0.00 55.95 58.11 2b6m s SER 27 Cb 0.03 0.82 1.52 0.00 -1.71 0.00 0.00 66.02 66.68 2b6m s SER 27 CO 0.19 -0.20 2.10 -0.26 1.20 0.00 0.00 173.24 176.27 2b6m h PHE 28 N 7.36 0.00 -0.00 3.44 0.04 -1.94 -2.03 116.94 123.80 2b6m h PHE 28 Ca -0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.44 2b6m h PHE 28 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 2b6m h PHE 28 CO 0.27 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 179.17 2b6m n PHE 29 N -4.11 0.00 -3.97 -0.55 3.72 -1.26 -4.62 117.46 106.68 2b6m n PHE 29 Ca 0.02 -0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.08 2b6m n PHE 29 Cb 0.31 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.71 2b6m n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b6m h ALA 31 N 7.89 1.15 0.00 0.00 0.00 -1.86 0.35 119.26 126.79 2b6m h ALA 31 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2b6m h ALA 31 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2b6m h ALA 31 CO 0.51 -0.15 -0.90 0.45 0.00 0.00 0.00 179.25 179.16 2b6m h HIS 32 N 0.00 0.00 0.00 0.00 -0.00 -1.93 -3.17 115.15 110.05 2b6m h HIS 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2b6m h HIS 32 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2b6m h HIS 32 CO 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 177.93 178.39 2b6m n ALA 33 N -2.28 2.27 0.08 2.45 0.00 0.12 -3.00 120.51 120.15 2b6m n ALA 33 Ca -0.03 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 2b6m n ALA 33 Cb 0.75 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.61 2b6m n ALA 33 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2b6m h TYR 34 N 0.00 0.75 -0.33 0.00 5.03 -1.47 -3.36 116.97 117.60 2b6m h TYR 34 Ca 0.00 -0.55 -0.00 0.00 2.58 0.00 0.00 58.73 60.76 2b6m h TYR 34 Cb 0.41 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 2b6m h TYR 34 CO 0.00 1.66 0.20 1.96 -1.32 0.00 0.00 178.16 180.66 2b6m h GLN 35 N 0.10 0.44 0.00 1.82 1.08 -1.60 -2.41 115.11 114.53 2b6m h GLN 35 Ca -0.33 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 2b6m h GLN 35 Cb 2.10 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.43 2b6m h GLN 35 CO 0.19 0.32 0.92 0.34 -0.95 0.00 0.00 178.83 179.65 2b6m n PHE 36 N -4.83 0.00 -1.45 2.96 7.35 -1.21 -0.34 117.46 119.93 2b6m n PHE 36 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2b6m n PHE 36 Cb 0.05 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.88 2b6m n PHE 36 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2b6m n GLU 37 N -2.27 0.00 0.00 -4.13 1.02 -1.14 -1.83 120.64 112.29 2b6m n GLU 37 Ca 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 2b6m n GLU 37 Cb 0.92 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 32.06 2b6m n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b6m n GLU 38 N 0.00 0.52 0.00 3.49 -0.58 -0.58 -4.20 120.64 119.29 2b6m n GLU 38 Ca 0.00 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.51 2b6m n GLU 38 Cb 0.44 -0.68 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 2b6m n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2b6m n VAL 39 N -0.14 0.00 0.01 2.62 0.31 -0.30 -4.85 118.33 115.98 2b6m n VAL 39 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2b6m n VAL 39 Cb 0.08 -0.13 -0.11 0.00 -0.91 0.00 0.00 33.84 32.76 2b6m n VAL 39 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2b6m n LEU 40 N -1.75 0.36 -2.49 7.52 4.32 0.53 -4.95 117.00 120.54 2b6m n LEU 40 Ca 0.00 0.15 -0.02 0.00 -0.02 0.00 0.00 56.01 56.12 2b6m n LEU 40 Cb 0.01 0.09 -0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2b6m n LEU 40 CO 0.00 0.08 -0.02 1.41 -1.22 0.00 0.00 177.39 177.63 2b6m n HIS 41 N -2.57 -1.91 0.01 -1.77 8.25 -1.20 -4.68 115.22 111.35 2b6m n HIS 41 Ca -0.09 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.57 2b6m n HIS 41 Cb 0.73 -1.27 0.71 0.00 1.12 0.00 0.00 29.99 31.28 2b6m n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2b6m h ILE 42 N -0.00 0.64 0.00 1.59 1.08 -1.68 1.42 117.51 120.57 2b6m h ILE 42 Ca -0.05 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 2b6m h ILE 42 Cb 1.03 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 2b6m h ILE 42 CO 0.05 0.00 -0.22 0.28 -0.69 0.00 0.00 178.15 177.57 2b6m h SER 43 N 0.00 0.00 0.00 1.72 0.02 -1.84 -1.41 113.55 112.04 2b6m h SER 43 Ca 0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2b6m h SER 43 Cb 1.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2b6m h SER 43 CO -0.00 0.22 -0.63 0.47 -1.14 0.00 0.00 176.83 175.75 2b6m n ASP 44 N -3.91 1.82 0.28 3.07 8.00 0.46 -2.73 116.55 123.54 2b6m n ASP 44 Ca -0.02 0.60 0.18 0.00 0.71 0.00 0.00 54.79 56.26 2b6m n ASP 44 Cb 0.31 -0.88 0.87 0.00 -0.02 0.00 0.00 41.12 41.40 2b6m n ASP 44 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2b6m h ASN 45 N -1.00 0.00 0.25 -2.24 2.35 -0.74 0.29 115.58 114.50 2b6m h ASN 45 Ca -0.05 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.36 2b6m h ASN 45 Cb 0.63 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 2b6m h ASN 45 CO -0.03 0.00 -1.87 0.58 -1.65 0.00 0.00 177.43 174.46 2b6m h VAL 46 N 0.00 0.74 -0.24 2.81 2.07 -1.42 -3.30 116.25 116.90 2b6m h VAL 46 Ca 0.04 -2.48 -0.04 0.00 0.82 0.00 0.00 66.70 65.04 2b6m h VAL 46 Cb 0.60 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2b6m h VAL 46 CO -0.00 0.78 -0.04 0.11 0.02 0.00 0.00 177.57 178.44 2b6m h LYS 47 N 0.05 0.36 0.49 1.57 6.56 -0.37 -2.82 116.57 122.41 2b6m h LYS 47 Ca -0.37 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.13 2b6m h LYS 47 Cb 2.03 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 33.64 2b6m h LYS 47 CO 0.10 0.42 -0.27 0.87 -2.06 0.00 0.00 179.45 178.50 2b6m h LYS 48 N 0.35 -0.69 -0.33 3.15 1.57 -0.86 -2.92 116.57 116.85 2b6m h LYS 48 Ca 0.08 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2b6m h LYS 48 Cb 0.29 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2b6m h LYS 48 CO 0.01 -0.46 0.00 1.63 -0.57 0.00 0.00 179.45 180.06 2b6m n LYS 49 N -5.41 1.28 -2.82 3.15 5.02 -1.16 -4.87 118.16 113.35 2b6m n LYS 49 Ca -0.12 -0.34 -0.37 0.00 -2.02 0.00 0.00 58.31 55.46 2b6m n LYS 49 Cb 0.31 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 2b6m n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2b6m s LEU 50 N -0.82 4.36 0.32 -0.35 1.43 -1.08 -4.72 118.68 117.82 2b6m s LEU 50 Ca 0.06 1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 54.66 2b6m s LEU 50 Cb 0.04 -3.93 -0.12 0.00 0.03 0.00 0.00 46.19 42.21 2b6m s LEU 50 CO 0.04 -0.04 1.50 -2.65 0.23 0.00 0.00 176.35 175.43 2b6m n PRO 51 N 0.65 2.54 -1.52 1.29 -0.02 -1.26 -4.79 135.00 131.89 2b6m n PRO 51 Ca 0.01 0.90 -0.32 0.00 -2.02 0.00 0.00 63.50 62.07 2b6m n PRO 51 Cb 0.50 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.23 2b6m n PRO 51 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2b6m n GLU 52 N 1.46 0.32 0.00 -0.52 0.00 -1.26 -0.71 120.64 119.92 2b6m n GLU 52 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.11 2b6m n GLU 52 Cb 0.37 -2.14 0.00 0.00 0.00 0.00 0.00 31.44 29.66 2b6m n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b6m n GLY 53 N 6.20 0.84 3.49 -1.84 0.00 -1.26 -5.10 105.19 107.52 2b6m n GLY 53 Ca 0.57 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 2b6m n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b6m s VAL 54 N -1.69 4.57 -0.08 1.61 1.01 0.11 -5.02 120.40 120.90 2b6m s VAL 54 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2b6m s VAL 54 Cb 0.00 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 2b6m s VAL 54 CO 0.00 -1.03 1.59 -1.59 0.00 0.00 0.00 175.10 174.07 2b6m s LYS 55 N 3.46 4.17 -1.24 2.72 0.00 -1.26 -4.91 119.74 122.68 2b6m s LYS 55 Ca 0.24 2.07 -0.07 0.00 0.00 0.00 0.00 55.97 58.21 2b6m s LYS 55 Cb -0.15 -3.95 0.19 0.00 0.00 0.00 0.00 37.83 33.92 2b6m s LYS 55 CO 0.16 -0.85 1.91 -0.12 0.00 0.00 0.00 175.35 176.45 2b6m n MET 56 N 7.08 4.09 -1.98 1.78 1.56 -1.26 -3.65 117.12 124.74 2b6m n MET 56 Ca 0.17 -3.77 -0.41 0.00 -0.27 0.00 0.00 57.70 53.42 2b6m n MET 56 Cb 0.43 -2.76 -0.01 0.00 2.15 0.00 0.00 33.22 33.03 2b6m n MET 56 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 2b6m s THR 57 N -0.81 2.44 -0.06 1.12 2.01 -0.75 -4.87 115.64 114.72 2b6m s THR 57 Ca 0.41 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.86 2b6m s THR 57 Cb 0.11 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.36 2b6m s THR 57 CO -0.00 0.10 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.38 2b6m s LYS 58 N -1.73 1.54 0.00 4.92 1.02 -1.26 0.74 119.74 124.96 2b6m s LYS 58 Ca 0.52 -0.35 0.07 0.00 0.02 0.00 0.00 55.97 56.23 2b6m s LYS 58 Cb -0.43 -1.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 2b6m s LYS 58 CO 0.56 -0.00 -0.22 0.71 -0.92 0.00 0.00 175.35 175.48 2b6m s TYR 59 N 0.74 2.46 0.09 3.18 1.51 0.45 -4.94 117.35 120.85 2b6m s TYR 59 Ca -0.13 -0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 55.53 2b6m s TYR 59 Cb -0.15 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.15 2b6m s TYR 59 CO 0.03 0.11 0.35 -1.58 -1.11 0.00 0.00 175.55 173.35 2b6m s HIS 60 N -0.75 3.53 0.03 2.71 5.65 -1.26 -1.10 115.29 124.10 2b6m s HIS 60 Ca 0.12 0.62 0.06 0.00 0.25 0.00 0.00 55.06 56.11 2b6m s HIS 60 Cb -0.10 -2.04 -0.02 0.00 -1.18 0.00 0.00 32.58 29.24 2b6m s HIS 60 CO 0.01 0.51 -0.17 0.14 -0.65 0.00 0.00 174.74 174.58 2b6m s VAL 61 N -1.49 1.36 0.10 0.89 -7.23 -0.37 -4.79 120.40 108.88 2b6m s VAL 61 Ca 0.35 -1.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.22 2b6m s VAL 61 Cb -0.13 -1.18 -0.07 0.00 0.56 0.00 0.00 36.38 35.55 2b6m s VAL 61 CO 0.21 0.17 1.33 0.21 -0.31 0.00 0.00 175.10 176.70 2b6m s ASN 62 N -0.97 6.90 0.00 4.85 3.84 -1.26 -4.64 114.94 123.66 2b6m s ASN 62 Ca 0.05 2.24 0.00 0.00 0.21 0.00 0.00 52.86 55.36 2b6m s ASN 62 Cb -0.08 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 2b6m s ASN 62 CO 0.01 -0.59 0.00 0.33 -2.79 0.00 0.00 177.10 174.06 2b6m n PHE 63 N 3.87 0.00 0.12 0.43 -0.00 -1.26 -4.72 117.46 115.91 2b6m n PHE 63 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.43 2b6m n PHE 63 Cb 0.43 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.83 2b6m n PHE 63 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 2b6m h MET 64 N 0.00 -0.31 0.00 -4.13 2.86 -1.98 -3.48 114.93 107.89 2b6m h MET 64 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2b6m h MET 64 Cb 0.00 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2b6m h MET 64 CO 0.00 0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.40 2b6m n GLY 65 N -0.21 -0.00 3.56 8.32 0.00 -1.26 -5.13 105.19 110.46 2b6m n GLY 65 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2b6m n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b6m s GLY 66 N -0.55 1.54 0.43 -0.02 0.00 -1.26 -4.85 107.32 102.60 2b6m s GLY 66 Ca 0.00 -0.57 0.12 0.00 0.00 0.00 0.00 44.72 44.27 2b6m s GLY 66 CO 0.00 0.21 2.00 -0.55 0.00 0.00 0.00 173.10 174.76 2b6m h ASP 67 N -2.50 0.16 -0.46 1.64 3.32 -2.00 -2.99 116.42 113.59 2b6m h ASP 67 Ca -0.52 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.50 2b6m h ASP 67 Cb 1.32 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2b6m h ASP 67 CO 0.45 0.25 0.28 0.25 -1.72 0.00 0.00 179.24 178.76 2b6m h LEU 68 N 0.17 0.55 -0.72 1.55 6.46 -1.94 -0.60 115.31 120.78 2b6m h LEU 68 Ca 0.04 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 2b6m h LEU 68 Cb 0.24 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 2b6m h LEU 68 CO 0.01 0.45 0.35 1.23 -0.62 0.00 0.00 178.44 179.85 2b6m h GLY 69 N 0.61 1.11 1.62 3.75 0.00 -1.88 -0.02 103.07 108.26 2b6m h GLY 69 Ca 0.17 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 2b6m h GLY 69 CO -0.03 0.52 -0.09 1.70 0.00 0.00 0.00 176.54 178.65 2b6m h LYS 70 N 1.01 0.47 -0.22 4.80 3.64 -1.45 -1.50 116.57 123.32 2b6m h LYS 70 Ca 0.25 -0.12 -0.19 0.00 -1.27 0.00 0.00 60.65 59.32 2b6m h LYS 70 Cb 0.12 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2b6m h LYS 70 CO -0.03 0.57 -0.59 -0.44 -2.27 0.00 0.00 179.45 176.69 2b6m h ASP 71 N 0.44 0.90 0.41 4.20 3.32 -0.61 -2.49 116.42 122.59 2b6m h ASP 71 Ca 0.09 -0.57 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 2b6m h ASP 71 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2b6m h ASP 71 CO 0.02 1.31 -0.40 -0.07 -1.72 0.00 0.00 179.24 178.39 2b6m h LEU 72 N 0.53 0.00 -0.28 1.55 3.38 -0.77 1.65 115.31 121.38 2b6m h LEU 72 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2b6m h LEU 72 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2b6m h LEU 72 CO 0.13 0.40 -0.17 0.74 0.09 0.00 0.00 178.44 179.62 2b6m h THR 73 N 0.00 1.30 -0.39 0.22 2.02 -1.25 0.21 112.91 115.03 2b6m h THR 73 Ca -0.00 -1.29 -0.09 0.00 0.77 0.00 0.00 66.41 65.80 2b6m h THR 73 Cb 0.71 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2b6m h THR 73 CO 0.05 0.41 -0.10 -0.61 0.37 0.00 0.00 175.52 175.64 2b6m h GLN 74 N 0.35 0.75 -0.02 6.66 4.15 -0.96 -0.89 115.11 125.14 2b6m h GLN 74 Ca 0.06 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 2b6m h GLN 74 Cb 0.71 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 2b6m h GLN 74 CO 0.05 0.90 -0.12 0.00 -1.93 0.00 0.00 178.83 177.73 2b6m h ALA 75 N 0.83 1.75 -0.19 3.38 0.00 0.26 -0.95 119.26 124.35 2b6m h ALA 75 Ca 0.10 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2b6m h ALA 75 Cb 0.63 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2b6m h ALA 75 CO 0.04 0.19 -0.71 2.35 0.00 0.00 0.00 179.25 181.11 2b6m h TRP 76 N 0.04 1.07 0.00 0.00 2.91 -0.15 -2.59 115.95 117.23 2b6m h TRP 76 Ca 0.01 -0.45 -0.03 0.00 1.13 0.00 0.00 58.89 59.55 2b6m h TRP 76 Cb 0.24 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 2b6m h TRP 76 CO 0.00 1.28 -0.13 0.00 -1.03 0.00 0.00 178.44 178.55 2b6m h ALA 77 N 0.61 1.36 -0.17 2.65 0.00 -0.08 -1.17 119.26 122.46 2b6m h ALA 77 Ca -0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2b6m h ALA 77 Cb 1.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2b6m h ALA 77 CO 0.15 0.17 -0.63 0.28 0.00 0.00 0.00 179.25 179.22 2b6m h VAL 78 N 0.00 1.32 0.10 0.00 2.07 -0.95 -1.14 116.25 117.65 2b6m h VAL 78 Ca -0.00 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 2b6m h VAL 78 Cb 0.33 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2b6m h VAL 78 CO 0.02 0.59 -0.05 0.00 0.02 0.00 0.00 177.57 178.15 2b6m h ALA 79 N 0.87 -0.14 0.00 1.67 0.00 -0.87 0.50 119.26 121.29 2b6m h ALA 79 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2b6m h ALA 79 Cb 1.20 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2b6m h ALA 79 CO 0.12 -0.41 -0.01 0.52 0.00 0.00 0.00 179.25 179.48 2b6m h MET 80 N -0.48 0.00 0.13 0.00 2.86 -1.30 0.72 114.93 116.86 2b6m h MET 80 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2b6m h MET 80 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2b6m h MET 80 CO 0.02 0.01 -0.06 0.00 1.06 0.00 0.00 176.91 177.94 2b6m h ALA 81 N 1.99 -0.18 -0.13 6.32 0.00 -0.38 -3.23 119.26 123.66 2b6m h ALA 81 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2b6m h ALA 81 Cb 0.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2b6m h ALA 81 CO 0.00 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.33 2b6m n LEU 82 N -4.87 1.07 -3.15 0.00 4.77 0.17 -4.88 117.00 110.11 2b6m n LEU 82 Ca -0.06 -0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 55.19 2b6m n LEU 82 Cb 0.22 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2b6m n LEU 82 CO 0.18 0.22 -0.06 0.61 -1.33 0.00 0.00 177.39 177.01 2b6m n GLY 83 N 0.55 -0.48 1.29 -0.72 0.00 0.24 -4.82 105.19 101.25 2b6m n GLY 83 Ca 0.05 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.21 2b6m n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2b6m n VAL 84 N -3.65 1.95 -0.29 1.61 0.24 -0.37 -4.69 118.33 113.13 2b6m n VAL 84 Ca -0.03 -1.38 -0.06 0.00 -2.04 0.00 0.00 64.34 60.83 2b6m n VAL 84 Cb 0.54 0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 32.93 2b6m n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2b6m h GLU 85 N 3.13 -0.11 -3.82 7.34 5.08 -1.88 -1.97 114.58 122.35 2b6m h GLU 85 Ca 0.00 0.01 -0.74 0.00 -1.00 0.00 0.00 59.36 57.63 2b6m h GLU 85 Cb 1.41 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.56 2b6m h GLU 85 CO 0.23 -0.07 2.28 -0.25 -1.00 0.00 0.00 179.01 180.19 2b6m n ASP 86 N -5.41 4.77 0.00 1.42 8.00 -1.26 -1.86 116.55 122.22 2b6m n ASP 86 Ca 0.05 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.52 2b6m n ASP 86 Cb 0.35 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 2b6m n ASP 86 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2b6m n LYS 87 N 4.75 0.00 -0.01 -1.24 5.02 -0.77 -4.94 118.16 120.98 2b6m n LYS 87 Ca 0.43 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.81 2b6m n LYS 87 Cb 0.38 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.26 2b6m n LYS 87 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2b6m n VAL 88 N -0.74 0.00 -0.00 -0.18 0.24 -1.02 -4.64 118.33 111.99 2b6m n VAL 88 Ca 0.00 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.34 61.89 2b6m n VAL 88 Cb 0.00 0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.60 2b6m n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2b6m h THR 89 N 0.00 0.00 -0.08 3.34 2.02 -1.62 -0.77 112.91 115.81 2b6m h THR 89 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2b6m h THR 89 Cb 0.75 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 2b6m h THR 89 CO 0.00 0.00 -0.22 0.58 0.37 0.00 0.00 175.52 176.25 2b6m h VAL 90 N -0.24 0.47 -0.64 3.16 2.07 -1.87 0.36 116.25 119.55 2b6m h VAL 90 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2b6m h VAL 90 Cb 0.28 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2b6m h VAL 90 CO -0.17 0.00 0.32 1.55 0.02 0.00 0.00 177.57 179.29 2b6m h PRO 91 N -0.31 0.90 -0.02 1.57 0.13 -1.81 1.09 132.00 133.54 2b6m h PRO 91 Ca 0.08 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2b6m h PRO 91 Cb 0.43 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.38 2b6m h PRO 91 CO -0.26 0.69 0.01 -0.07 -0.23 0.00 0.00 178.00 178.15 2b6m h LEU 92 N 0.90 0.03 -0.29 1.56 3.38 -0.74 3.50 115.31 123.64 2b6m h LEU 92 Ca 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2b6m h LEU 92 Cb 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2b6m h LEU 92 CO -0.03 0.11 0.13 -0.26 0.09 0.00 0.00 178.44 178.47 2b6m h PHE 93 N -0.05 0.44 -0.58 1.13 0.04 -0.39 0.35 116.94 117.88 2b6m h PHE 93 Ca 0.01 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2b6m h PHE 93 Cb 0.08 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 2b6m h PHE 93 CO -0.05 0.42 0.37 0.93 -0.60 0.00 0.00 178.31 179.38 2b6m h GLU 94 N 0.33 0.78 0.02 1.51 4.39 0.15 -2.08 114.58 119.68 2b6m h GLU 94 Ca 0.10 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2b6m h GLU 94 Cb 0.16 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2b6m h GLU 94 CO -0.01 0.54 -0.01 0.78 -1.16 0.00 0.00 179.01 179.15 2b6m h GLY 95 N 0.78 -0.02 1.24 -3.84 0.00 0.69 0.15 103.07 102.07 2b6m h GLY 95 Ca 0.21 0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 2b6m h GLY 95 CO -0.04 -0.01 -0.39 -2.08 0.00 0.00 0.00 176.54 174.02 2b6m h VAL 96 N -0.21 1.28 0.00 4.60 2.07 -0.26 0.59 116.25 124.32 2b6m h VAL 96 Ca -0.00 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 2b6m h VAL 96 Cb 0.21 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2b6m h VAL 96 CO 0.00 0.52 -1.04 0.00 0.02 0.00 0.00 177.57 177.07 2b6m n GLN 97 N -4.05 2.82 0.00 1.57 10.64 -0.79 -4.38 117.38 123.20 2b6m n GLN 97 Ca -0.02 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 2b6m n GLN 97 Cb 0.54 -1.02 0.00 0.00 -0.86 0.00 0.00 30.24 28.90 2b6m n GLN 97 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2b6m n LYS 98 N -1.89 0.00 0.26 2.61 4.81 -0.57 -4.38 118.16 119.00 2b6m n LYS 98 Ca -0.01 0.22 0.14 0.00 -0.87 0.00 0.00 58.31 57.79 2b6m n LYS 98 Cb 0.38 -0.67 0.64 0.00 0.02 0.00 0.00 35.03 35.41 2b6m n LYS 98 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2b6m h THR 99 N 0.00 0.32 -6.40 3.15 1.35 -0.97 -3.47 112.91 106.89 2b6m h THR 99 Ca 0.00 -0.71 -0.48 0.00 -0.55 0.00 0.00 66.41 64.67 2b6m h THR 99 Cb 0.00 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 2b6m h THR 99 CO 0.00 0.11 -0.89 0.00 -0.25 0.00 0.00 175.52 174.48 2b6m n GLN 100 N -3.31 -3.07 -0.00 4.72 6.02 -0.50 -4.89 117.38 116.34 2b6m n GLN 100 Ca -0.00 0.44 0.09 0.00 -0.01 0.00 0.00 57.00 57.51 2b6m n GLN 100 Cb 0.32 -4.51 -0.11 0.00 1.02 0.00 0.00 30.24 26.97 2b6m n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2b6m n THR 101 N -4.35 0.00 -2.95 5.09 -2.24 0.08 -4.87 114.28 105.04 2b6m n THR 101 Ca -0.27 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 2b6m n THR 101 Cb 0.67 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 2b6m n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2b6m s ILE 102 N -2.83 4.58 0.00 2.28 1.01 -1.18 -4.79 121.20 120.27 2b6m s ILE 102 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2b6m s ILE 102 Cb 0.14 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2b6m s ILE 102 CO 0.76 -0.91 0.45 0.54 0.00 0.00 0.00 174.94 175.78 2b6m n ARG 103 N 6.93 0.28 -3.92 2.79 1.74 -1.26 -4.82 116.66 118.41 2b6m n ARG 103 Ca 0.00 -0.54 -0.08 0.00 -0.77 0.00 0.00 57.85 56.46 2b6m n ARG 103 Cb 0.47 -0.75 -0.04 0.00 -1.02 0.00 0.00 32.46 31.13 2b6m n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2b6m s SER 104 N -0.20 -0.18 0.57 0.55 1.04 -1.26 -4.99 113.70 109.22 2b6m s SER 104 Ca 0.00 -0.75 0.34 0.00 0.48 0.00 0.00 55.95 56.02 2b6m s SER 104 Cb 0.00 0.66 1.62 0.00 0.10 0.00 0.00 66.02 68.40 2b6m s SER 104 CO 0.00 -1.25 2.09 0.00 0.98 0.00 0.00 173.24 175.06 2b6m h ALA 105 N 2.12 1.06 0.06 5.32 0.00 -1.95 -2.61 119.26 123.25 2b6m h ALA 105 Ca -0.22 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 2b6m h ALA 105 Cb 1.25 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.06 2b6m h ALA 105 CO 0.29 0.05 -0.97 0.66 0.00 0.00 0.00 179.25 179.28 2b6m h SER 106 N 0.00 0.75 -0.51 0.00 4.64 -1.98 -2.31 113.55 114.14 2b6m h SER 106 Ca -0.00 -0.80 -0.02 0.00 -0.47 0.00 0.00 61.79 60.50 2b6m h SER 106 Cb 0.37 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2b6m h SER 106 CO 0.01 1.47 0.25 0.44 -0.87 0.00 0.00 176.83 178.12 2b6m h ASP 107 N 0.13 0.69 -0.37 4.97 3.32 -1.82 0.28 116.42 123.62 2b6m h ASP 107 Ca -0.14 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 2b6m h ASP 107 Cb 1.67 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 2b6m h ASP 107 CO 0.19 0.60 0.13 0.40 -1.72 0.00 0.00 179.24 178.83 2b6m h ILE 108 N 0.77 1.20 -0.19 0.35 2.04 -1.49 -0.72 117.51 119.47 2b6m h ILE 108 Ca 0.19 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.44 2b6m h ILE 108 Cb 0.10 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2b6m h ILE 108 CO -0.02 0.23 -0.09 -0.09 0.00 0.00 0.00 178.15 178.17 2b6m h ARG 109 N 0.45 -0.07 -0.03 2.37 2.43 -0.61 -2.12 114.38 116.79 2b6m h ARG 109 Ca 0.12 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2b6m h ARG 109 Cb 0.23 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 2b6m h ARG 109 CO -0.01 -0.05 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.67 2b6m h ASP 110 N -0.08 -0.89 -1.01 -3.80 3.32 0.12 -1.15 116.42 112.94 2b6m h ASP 110 Ca 0.10 0.12 0.24 0.00 0.02 0.00 0.00 57.03 57.52 2b6m h ASP 110 Cb 0.23 0.36 -0.12 0.00 0.22 0.00 0.00 39.33 40.03 2b6m h ASP 110 CO -0.24 -0.35 0.61 0.58 -1.72 0.00 0.00 179.24 178.12 2b6m h VAL 111 N -0.42 0.55 0.00 -1.35 2.07 -0.75 0.29 116.25 116.65 2b6m h VAL 111 Ca 0.07 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2b6m h VAL 111 Cb 0.53 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2b6m h VAL 111 CO -0.27 0.10 -0.20 -0.26 0.02 0.00 0.00 177.57 176.96 2b6m h PHE 112 N 0.57 0.00 0.09 1.57 -1.00 -0.56 -3.09 116.94 114.52 2b6m h PHE 112 Ca 0.63 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 61.29 2b6m h PHE 112 Cb 1.24 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.81 2b6m h PHE 112 CO -0.01 0.20 -0.55 0.82 -1.61 0.00 0.00 178.31 177.17 2b6m h ILE 113 N 0.00 1.61 0.00 -0.55 2.04 0.02 -1.95 117.51 118.68 2b6m h ILE 113 Ca -0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 2b6m h ILE 113 Cb 0.49 3.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2b6m h ILE 113 CO 0.03 0.68 0.00 0.59 0.00 0.00 0.00 178.15 179.45 2b6m n ASN 114 N -4.28 0.00 -0.41 1.72 5.03 -0.84 -0.47 115.26 116.00 2b6m n ASN 114 Ca -0.13 -0.36 0.06 0.00 0.87 0.00 0.00 54.58 55.02 2b6m n ASN 114 Cb 0.71 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.50 2b6m n ASN 114 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2b6m n ALA 115 N -0.80 2.59 0.00 5.41 0.00 -1.18 -4.97 120.51 121.55 2b6m n ALA 115 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2b6m n ALA 115 Cb 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2b6m n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b6m n GLY 116 N 0.73 1.10 3.58 0.00 0.00 0.37 -4.99 105.19 105.98 2b6m n GLY 116 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2b6m n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b6m s ILE 117 N -2.00 5.02 0.15 -0.61 1.09 -0.74 -5.02 121.20 119.09 2b6m s ILE 117 Ca 0.00 0.07 -0.31 0.00 -1.10 0.00 0.00 60.65 59.30 2b6m s ILE 117 Cb 0.00 -3.36 -0.11 0.00 -1.06 0.00 0.00 42.46 37.93 2b6m s ILE 117 CO 0.00 0.32 1.82 0.29 -0.10 0.00 0.00 174.94 177.27 2b6m n LYS 118 N 4.66 2.82 0.03 2.79 5.02 -1.26 -3.83 118.16 128.39 2b6m n LYS 118 Ca -0.15 1.02 0.01 0.00 -2.02 0.00 0.00 58.31 57.18 2b6m n LYS 118 Cb 0.52 -2.91 0.07 0.00 -0.02 0.00 0.00 35.03 32.69 2b6m n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b6m n GLY 119 N 4.18 -0.38 0.13 0.72 0.00 -1.26 -0.99 105.19 107.60 2b6m n GLY 119 Ca 0.17 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 2b6m n GLY 119 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2b6m h GLU 120 N 0.00 0.20 0.00 1.61 4.11 -2.00 -3.26 114.58 115.23 2b6m h GLU 120 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2b6m h GLU 120 Cb 0.41 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2b6m h GLU 120 CO 0.00 1.16 0.00 1.49 0.07 0.00 0.00 179.01 181.73 2b6m h GLU 121 N -0.26 0.00 0.21 1.06 4.81 -1.43 -2.29 114.58 116.68 2b6m h GLU 121 Ca -0.39 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2b6m h GLU 121 Cb 1.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.19 2b6m h GLU 121 CO 0.01 0.00 -0.10 -0.92 -0.73 0.00 0.00 179.01 177.27 2b6m h TYR 122 N 0.00 -0.26 -0.96 0.92 3.20 -1.57 -2.28 116.97 116.03 2b6m h TYR 122 Ca 0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 2b6m h TYR 122 Cb 0.63 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 2b6m h TYR 122 CO 0.00 0.13 0.62 -0.44 -1.64 0.00 0.00 178.16 176.83 2b6m h ASP 123 N -0.91 0.99 -0.59 -2.11 3.32 -1.59 1.12 116.42 116.66 2b6m h ASP 123 Ca -0.03 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.11 2b6m h ASP 123 Cb 0.50 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2b6m h ASP 123 CO 0.05 0.65 0.22 0.00 -1.72 0.00 0.00 179.24 178.44 2b6m h ALA 124 N 1.47 0.75 0.10 3.45 0.00 -1.42 -0.92 119.26 122.69 2b6m h ALA 124 Ca 0.41 0.08 -0.26 0.00 0.00 0.00 0.00 54.91 55.13 2b6m h ALA 124 Cb 0.14 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.00 2b6m h ALA 124 CO -0.15 -0.19 -1.08 0.00 0.00 0.00 0.00 179.25 177.84 2b6m h ALA 125 N 1.40 -0.01 -0.95 0.00 0.00 -0.34 -3.12 119.26 116.24 2b6m h ALA 125 Ca 0.29 -0.73 0.15 0.00 0.00 0.00 0.00 54.91 54.63 2b6m h ALA 125 Cb 0.34 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2b6m h ALA 125 CO -0.29 0.59 0.60 2.35 0.00 0.00 0.00 179.25 182.50 2b6m h TRP 126 N 0.13 0.94 -0.57 0.00 2.91 0.16 -0.49 115.95 119.03 2b6m h TRP 126 Ca -0.16 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.88 2b6m h TRP 126 Cb 1.78 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 30.13 2b6m h TRP 126 CO 0.13 0.31 0.00 0.09 -1.03 0.00 0.00 178.44 177.94 2b6m n ASN 127 N -4.62 5.65 -4.91 2.65 3.02 -0.39 -4.87 115.26 111.80 2b6m n ASN 127 Ca 0.19 -2.92 -0.27 0.00 -0.03 0.00 0.00 54.58 51.55 2b6m n ASN 127 Cb 0.49 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 2b6m n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2b6m s SER 128 N -0.84 6.36 0.47 6.41 1.04 -0.19 -4.99 113.70 121.96 2b6m s SER 128 Ca 0.54 0.81 0.27 0.00 0.48 0.00 0.00 55.95 58.06 2b6m s SER 128 Cb 0.41 -2.19 0.74 0.00 0.10 0.00 0.00 66.02 65.09 2b6m s SER 128 CO 0.16 -0.39 1.75 -0.26 0.98 0.00 0.00 173.24 175.49 2b6m h PHE 129 N 0.89 0.00 0.50 5.02 -1.00 -1.91 -1.89 116.94 118.56 2b6m h PHE 129 Ca -0.48 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.28 2b6m h PHE 129 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 2b6m h PHE 129 CO 0.57 0.00 -0.24 0.28 -1.61 0.00 0.00 178.31 177.31 2b6m h VAL 130 N 0.00 0.34 -0.84 -0.55 2.07 -1.94 -1.68 116.25 113.65 2b6m h VAL 130 Ca 0.00 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.18 2b6m h VAL 130 Cb 0.80 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 2b6m h VAL 130 CO 0.00 0.05 0.48 0.58 0.02 0.00 0.00 177.57 178.70 2b6m h VAL 131 N -1.00 0.89 -0.75 2.57 2.07 -1.77 0.32 116.25 118.59 2b6m h VAL 131 Ca -0.07 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.22 2b6m h VAL 131 Cb 0.61 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2b6m h VAL 131 CO 0.11 0.14 0.49 0.11 0.02 0.00 0.00 177.57 178.45 2b6m h LYS 132 N 0.79 0.84 0.02 1.57 1.57 -1.22 0.72 116.57 120.87 2b6m h LYS 132 Ca 0.41 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.92 2b6m h LYS 132 Cb 0.40 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2b6m h LYS 132 CO -0.26 0.56 -0.97 1.03 -0.57 0.00 0.00 179.45 179.24 2b6m h SER 133 N 0.87 0.38 0.08 0.86 0.87 -0.15 -1.51 113.55 114.96 2b6m h SER 133 Ca 0.31 -0.32 -0.13 0.00 -1.23 0.00 0.00 61.79 60.41 2b6m h SER 133 Cb 0.12 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2b6m h SER 133 CO -0.09 1.15 -0.43 0.25 -0.53 0.00 0.00 176.83 177.18 2b6m h LEU 134 N 0.14 0.46 0.26 2.23 5.85 0.11 -1.18 115.31 123.19 2b6m h LEU 134 Ca -0.07 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2b6m h LEU 134 Cb 1.62 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2b6m h LEU 134 CO 0.16 0.83 -0.13 0.58 -0.34 0.00 0.00 178.44 179.54 2b6m h VAL 135 N 0.35 0.75 -0.92 1.05 2.07 0.46 -2.97 116.25 117.05 2b6m h VAL 135 Ca 0.03 -0.70 0.25 0.00 0.82 0.00 0.00 66.70 67.10 2b6m h VAL 135 Cb 0.90 1.11 -0.14 0.00 -1.52 0.00 0.00 31.29 31.65 2b6m h VAL 135 CO 0.08 0.14 0.38 0.00 0.02 0.00 0.00 177.57 178.19 2b6m h ALA 136 N -0.18 1.50 -0.30 1.67 0.00 -1.07 -1.70 119.26 119.19 2b6m h ALA 136 Ca -0.04 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2b6m h ALA 136 Cb 0.50 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2b6m h ALA 136 CO 0.06 -0.43 -0.16 1.96 0.00 0.00 0.00 179.25 180.68 2b6m h GLN 137 N 0.32 0.64 -0.94 0.00 4.20 -1.21 -2.18 115.11 115.94 2b6m h GLN 137 Ca 0.60 -0.29 0.12 0.00 0.06 0.00 0.00 58.65 59.14 2b6m h GLN 137 Cb 1.21 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.89 2b6m h GLN 137 CO -0.59 0.87 0.57 1.96 -0.67 0.00 0.00 178.83 180.97 2b6m h GLN 138 N 0.39 0.87 -0.11 1.46 4.20 -1.14 0.33 115.11 121.10 2b6m h GLN 138 Ca 0.06 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 2b6m h GLN 138 Cb 0.69 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2b6m h GLN 138 CO 0.05 0.58 -0.75 0.93 -0.67 0.00 0.00 178.83 178.97 2b6m h GLU 139 N 0.90 0.57 0.07 1.46 5.08 -1.50 -3.06 114.58 118.10 2b6m h GLU 139 Ca 0.47 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2b6m h GLU 139 Cb 0.48 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2b6m h GLU 139 CO -0.27 1.09 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.58 2b6m h LYS 140 N 0.39 -0.08 -0.62 2.33 3.11 -0.59 -2.57 116.57 118.54 2b6m h LYS 140 Ca -0.04 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 2b6m h LYS 140 Cb 1.34 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.56 2b6m h LYS 140 CO 0.14 0.08 0.30 0.00 -2.81 0.00 0.00 179.45 177.17 2b6m h ALA 141 N 0.69 0.80 -0.13 5.00 0.00 -1.06 0.94 119.26 125.50 2b6m h ALA 141 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2b6m h ALA 141 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2b6m h ALA 141 CO 0.01 0.36 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 2b6m h ALA 142 N 1.13 1.65 -0.27 0.00 0.00 -1.54 -1.87 119.26 118.36 2b6m h ALA 142 Ca 0.21 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2b6m h ALA 142 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2b6m h ALA 142 CO -0.03 0.26 -0.57 0.00 0.00 0.00 0.00 179.25 178.91 2b6m h ALA 143 N 1.75 0.47 0.00 0.00 0.00 -0.88 -1.15 119.26 119.44 2b6m h ALA 143 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2b6m h ALA 143 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2b6m h ALA 143 CO 0.01 0.68 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 2b6m n ASP 144 N -4.00 0.76 -0.59 0.00 8.00 0.24 -2.70 116.55 118.25 2b6m n ASP 144 Ca -0.05 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.14 2b6m n ASP 144 Cb 0.64 -0.80 0.06 0.00 -0.02 0.00 0.00 41.12 41.00 2b6m n ASP 144 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2b6m n VAL 145 N -2.25 0.00 -3.88 2.53 0.24 -0.80 -4.68 118.33 109.48 2b6m n VAL 145 Ca 0.04 -0.49 -0.27 0.00 -2.04 0.00 0.00 64.34 61.58 2b6m n VAL 145 Cb 0.36 1.31 -0.00 0.00 -1.47 0.00 0.00 33.84 34.03 2b6m n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b6m n GLN 146 N 0.80 -2.83 -1.58 7.34 6.02 -0.98 -4.78 117.38 121.37 2b6m n GLN 146 Ca 0.09 0.42 -0.50 0.00 -0.01 0.00 0.00 57.00 56.99 2b6m n GLN 146 Cb 0.38 -4.41 -0.05 0.00 1.02 0.00 0.00 30.24 27.18 2b6m n GLN 146 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2b6m n LEU 147 N -4.37 1.50 -3.08 1.08 7.94 -0.47 -4.92 117.00 114.68 2b6m n LEU 147 Ca -0.26 1.13 -0.21 0.00 -1.11 0.00 0.00 56.01 55.56 2b6m n LEU 147 Cb 0.66 -1.19 -0.03 0.00 0.53 0.00 0.00 43.42 43.39 2b6m n LEU 147 CO 0.73 -1.23 -0.08 0.54 -1.11 0.00 0.00 177.39 176.24 2b6m n ARG 148 N 2.07 1.83 0.00 1.96 1.74 -1.26 -5.04 116.66 117.96 2b6m n ARG 148 Ca 0.17 -3.93 0.00 0.00 -0.77 0.00 0.00 57.85 53.31 2b6m n ARG 148 Cb 0.22 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 2b6m n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b6m n GLY 149 N 0.07 3.76 3.12 -0.13 0.00 -1.26 -5.14 105.19 105.61 2b6m n GLY 149 Ca 0.27 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 2b6m n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b6m s VAL 150 N -2.07 0.64 0.51 1.61 -7.23 -1.26 -4.31 120.40 108.28 2b6m s VAL 150 Ca 0.00 -1.49 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 2b6m s VAL 150 Cb 0.00 -1.13 -0.08 0.00 0.56 0.00 0.00 36.38 35.73 2b6m s VAL 150 CO 0.00 -0.61 0.99 -2.16 -0.31 0.00 0.00 175.10 173.01 2b6m s PRO 151 N -2.64 3.92 0.01 4.82 0.04 -1.26 -4.77 135.00 135.12 2b6m s PRO 151 Ca 0.01 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 2b6m s PRO 151 Cb -0.03 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2b6m s PRO 151 CO -0.02 -0.30 0.19 0.00 0.04 0.00 0.00 177.00 176.92 2b6m s ALA 152 N -2.48 -0.43 0.02 8.56 0.00 -0.38 -4.98 121.76 122.07 2b6m s ALA 152 Ca 0.61 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.51 2b6m s ALA 152 Cb -0.11 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2b6m s ALA 152 CO 0.28 -0.28 -0.14 1.41 0.00 0.00 0.00 175.76 177.03 2b6m s MET 153 N -1.82 1.05 0.10 0.00 1.75 -1.26 0.94 119.30 120.06 2b6m s MET 153 Ca -0.11 -0.65 0.06 0.00 -1.25 0.00 0.00 55.69 53.73 2b6m s MET 153 Cb -0.05 -1.05 -0.03 0.00 2.84 0.00 0.00 34.83 36.54 2b6m s MET 153 CO 0.00 0.27 -0.14 -0.06 -0.65 0.00 0.00 175.02 174.44 2b6m s PHE 154 N -0.61 1.33 -0.03 4.11 0.40 0.27 -1.83 117.98 121.62 2b6m s PHE 154 Ca 0.04 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 2b6m s PHE 154 Cb -0.07 -0.72 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 2b6m s PHE 154 CO 0.00 0.11 -0.21 0.08 0.70 0.00 0.00 175.22 175.91 2b6m s VAL 155 N -1.83 1.66 -0.64 -0.44 1.01 0.17 -0.90 120.40 119.44 2b6m s VAL 155 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2b6m s VAL 155 Cb -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2b6m s VAL 155 CO 0.03 0.47 0.00 0.59 0.00 0.00 0.00 175.10 176.19 2b6m n ASN 156 N 2.82 -1.73 -0.62 3.32 3.02 0.53 0.44 115.26 123.04 2b6m n ASN 156 Ca -0.17 0.18 -0.08 0.00 -0.03 0.00 0.00 54.58 54.48 2b6m n ASN 156 Cb 0.53 -1.83 -0.03 0.00 -0.61 0.00 0.00 39.78 37.83 2b6m n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2b6m n GLY 157 N -0.18 0.89 0.00 7.41 0.00 -1.26 -4.80 105.19 107.24 2b6m n GLY 157 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2b6m n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b6m n LYS 158 N -1.39 2.79 -4.93 1.61 5.02 0.17 -1.30 118.16 120.13 2b6m n LYS 158 Ca -0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.89 2b6m n LYS 158 Cb 0.44 -0.85 -0.14 0.00 -0.02 0.00 0.00 35.03 34.46 2b6m n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2b6m s TYR 159 N -1.70 2.57 -0.29 2.13 2.02 -0.60 -1.48 117.35 120.01 2b6m s TYR 159 Ca 0.00 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 2b6m s TYR 159 Cb 0.00 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.07 2b6m s TYR 159 CO 0.00 0.15 -0.05 -1.14 -1.57 0.00 0.00 175.55 172.94 2b6m s GLN 160 N -0.89 2.19 0.38 -0.62 0.74 -0.16 0.46 119.66 121.77 2b6m s GLN 160 Ca 0.12 -1.41 -0.25 0.00 0.05 0.00 0.00 55.36 53.87 2b6m s GLN 160 Cb -0.10 -3.03 -0.12 0.00 1.10 0.00 0.00 33.01 30.86 2b6m s GLN 160 CO 0.01 -0.64 0.94 1.28 -0.55 0.00 0.00 175.29 176.33 2b6m n LEU 161 N 4.47 1.92 -3.72 3.68 7.99 -0.76 -2.23 117.00 128.35 2b6m n LEU 161 Ca -0.11 1.06 -0.30 0.00 -0.01 0.00 0.00 56.01 56.66 2b6m n LEU 161 Cb 0.42 -1.29 -0.13 0.00 -0.11 0.00 0.00 43.42 42.31 2b6m n LEU 161 CO 0.23 -1.68 -0.26 0.21 -1.51 0.00 0.00 177.39 174.38 2b6m s ASN 162 N -0.71 3.71 0.16 -1.43 2.47 0.17 -4.68 114.94 114.63 2b6m s ASN 162 Ca 0.62 -2.47 -0.19 0.00 0.42 0.00 0.00 52.86 51.24 2b6m s ASN 162 Cb -0.61 -1.01 0.08 0.00 -1.45 0.00 0.00 41.25 38.26 2b6m s ASN 162 CO 0.58 -0.29 1.65 -0.65 -3.72 0.00 0.00 177.10 174.67 2b6m h PRO 163 N 6.94 -0.09 -0.27 0.43 0.11 -1.90 -1.76 132.00 135.46 2b6m h PRO 163 Ca -0.03 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2b6m h PRO 163 Cb 0.94 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2b6m h PRO 163 CO 0.48 -0.06 0.00 1.04 -0.21 0.00 0.00 178.00 179.24 2b6m n GLN 164 N -5.34 0.52 -0.01 1.05 6.02 -1.26 -0.74 117.38 117.62 2b6m n GLN 164 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2b6m n GLN 164 Cb 0.25 -1.13 0.01 0.00 1.02 0.00 0.00 30.24 30.39 2b6m n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b6m n GLY 165 N 0.13 2.71 3.73 1.08 0.00 -0.66 -5.03 105.19 107.15 2b6m n GLY 165 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2b6m n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2b6m s MET 166 N -0.94 2.21 -0.38 1.61 -1.94 0.08 -4.03 119.30 115.92 2b6m s MET 166 Ca 0.02 -1.82 -0.28 0.00 -1.71 0.00 0.00 55.69 51.90 2b6m s MET 166 Cb 0.01 -1.98 -0.02 0.00 2.01 0.00 0.00 34.83 34.85 2b6m s MET 166 CO 0.01 -0.08 1.84 0.34 -0.01 0.00 0.00 175.02 177.12 2b6m s ASP 167 N -3.88 5.74 -0.47 3.03 -1.08 -1.26 -4.89 116.67 113.85 2b6m s ASP 167 Ca 0.40 1.16 0.04 0.00 -0.52 0.00 0.00 52.55 53.63 2b6m s ASP 167 Cb 0.03 -2.53 0.43 0.00 -1.46 0.00 0.00 42.92 39.40 2b6m s ASP 167 CO 0.22 -1.86 1.40 0.35 0.52 0.00 0.00 175.17 175.81 2b6m n THR 168 N 7.41 2.78 -1.08 1.71 -2.24 -1.26 -2.74 114.28 118.86 2b6m n THR 168 Ca 0.23 -4.29 0.05 0.00 -2.27 0.00 0.00 64.05 57.77 2b6m n THR 168 Cb 0.48 -1.20 0.26 0.00 -2.10 0.00 0.00 70.33 67.77 2b6m n THR 168 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2b6m n SER 169 N -0.64 3.82 0.00 3.42 3.41 -1.26 -4.92 113.62 117.45 2b6m n SER 169 Ca 0.46 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 2b6m n SER 169 Cb 0.72 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2b6m n SER 169 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2b6m n ASN 170 N -0.54 0.00 -0.35 4.04 4.05 -1.26 -5.03 115.26 116.16 2b6m n ASN 170 Ca 0.26 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.35 2b6m n ASN 170 Cb 0.99 0.00 0.23 0.00 1.23 0.00 0.00 39.78 42.23 2b6m n ASN 170 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 2b6m h MET 171 N 0.00 0.95 -0.47 1.20 2.86 -1.92 -1.32 114.93 116.23 2b6m h MET 171 Ca 0.00 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 2b6m h MET 171 Cb 0.00 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 2b6m h MET 171 CO 0.00 0.63 -0.25 -0.44 1.06 0.00 0.00 176.91 177.91 2b6m h ASP 172 N 0.97 1.02 0.00 1.22 5.19 -1.96 -0.69 116.42 122.18 2b6m h ASP 172 Ca 0.48 -0.40 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2b6m h ASP 172 Cb 0.46 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2b6m h ASP 172 CO -0.26 1.20 -0.00 0.58 -3.12 0.00 0.00 179.24 177.64 2b6m h VAL 173 N 0.84 1.00 0.41 -1.35 2.07 -1.77 -0.42 116.25 117.04 2b6m h VAL 173 Ca 0.10 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2b6m h VAL 173 Cb 0.83 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2b6m h VAL 173 CO 0.07 0.00 -0.44 0.15 0.02 0.00 0.00 177.57 177.38 2b6m h PHE 174 N -0.01 -1.20 0.00 1.57 3.57 -1.06 -1.25 116.94 118.56 2b6m h PHE 174 Ca -0.00 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2b6m h PHE 174 Cb 0.01 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2b6m h PHE 174 CO -0.08 -0.59 -0.27 0.28 -2.23 0.00 0.00 178.31 175.42 2b6m h VAL 175 N -0.87 1.11 -0.06 1.41 2.07 -1.09 -0.70 116.25 118.11 2b6m h VAL 175 Ca -0.04 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 2b6m h VAL 175 Cb 0.78 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2b6m h VAL 175 CO -0.08 0.26 -0.09 -0.61 0.02 0.00 0.00 177.57 177.08 2b6m h GLN 176 N 0.00 0.17 0.21 1.57 5.75 -0.89 -0.66 115.11 121.26 2b6m h GLN 176 Ca -0.00 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2b6m h GLN 176 Cb 0.50 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.06 2b6m h GLN 176 CO 0.04 0.65 -0.13 1.96 -2.65 0.00 0.00 178.83 178.69 2b6m h GLN 177 N -0.29 -0.32 -0.80 1.69 4.20 -1.02 0.03 115.11 118.59 2b6m h GLN 177 Ca 0.01 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.87 2b6m h GLN 177 Cb 0.63 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.39 2b6m h GLN 177 CO 0.02 -0.22 0.39 -0.92 -0.67 0.00 0.00 178.83 177.43 2b6m h TYR 178 N -0.34 0.68 -0.35 2.96 5.03 -1.12 0.49 116.97 124.33 2b6m h TYR 178 Ca -0.02 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.25 2b6m h TYR 178 Cb 0.29 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 2b6m h TYR 178 CO -0.09 0.16 -0.07 0.00 -1.32 0.00 0.00 178.16 176.84 2b6m h ALA 179 N 1.53 0.48 0.00 1.82 0.00 -0.77 -2.55 119.26 119.77 2b6m h ALA 179 Ca 0.43 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2b6m h ALA 179 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2b6m h ALA 179 CO -0.35 0.31 -0.25 -0.44 0.00 0.00 0.00 179.25 178.51 2b6m h ASP 180 N 0.46 0.00 -0.17 0.00 3.32 0.78 -1.78 116.42 119.03 2b6m h ASP 180 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2b6m h ASP 180 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 2b6m h ASP 180 CO 0.03 0.25 -0.14 0.74 -1.72 0.00 0.00 179.24 178.40 2b6m h THR 181 N 0.00 1.33 -0.68 0.35 2.02 0.07 -1.92 112.91 114.08 2b6m h THR 181 Ca -0.00 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 2b6m h THR 181 Cb 0.57 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 2b6m h THR 181 CO 0.03 0.38 0.28 0.58 0.37 0.00 0.00 175.52 177.17 2b6m h VAL 182 N 0.06 1.23 0.13 3.16 2.07 -1.10 0.26 116.25 122.06 2b6m h VAL 182 Ca 0.03 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2b6m h VAL 182 Cb 0.67 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2b6m h VAL 182 CO 0.04 0.29 -0.06 0.50 0.02 0.00 0.00 177.57 178.35 2b6m h LYS 183 N 0.98 -0.17 0.24 1.57 3.64 -1.29 -1.46 116.57 120.06 2b6m h LYS 183 Ca 0.23 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2b6m h LYS 183 Cb 0.17 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2b6m h LYS 183 CO -0.02 0.04 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.13 2b6m h TYR 184 N -0.37 -0.39 0.00 1.91 3.20 -1.11 -1.27 116.97 118.93 2b6m h TYR 184 Ca -0.02 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2b6m h TYR 184 Cb 0.30 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2b6m h TYR 184 CO -0.01 -0.22 0.57 1.25 -1.64 0.00 0.00 178.16 178.11 2b6m h LEU 185 N -0.36 0.00 -0.55 2.82 5.85 -0.57 1.26 115.31 123.76 2b6m h LEU 185 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2b6m h LEU 185 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2b6m h LEU 185 CO 0.03 0.00 0.00 -0.24 -0.34 0.00 0.00 178.44 177.89 2b6m n SER 186 N -2.02 0.85 -0.12 1.25 2.88 -0.48 -4.15 113.62 111.82 2b6m n SER 186 Ca -0.00 -1.29 -0.26 0.00 -1.33 0.00 0.00 58.87 55.99 2b6m n SER 186 Cb 0.58 -0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.95 2b6m n SER 186 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2b6m n GLU 187 N -0.33 0.52 0.00 -1.46 4.71 0.43 -5.05 120.64 119.46 2b6m n GLU 187 Ca 0.21 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 2b6m n GLU 187 Cb 0.25 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 2b6m n GLU 187 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85