#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b6m n GLN 2 N 0.00 0.00 -1.92 0.00 10.64 -1.26 -5.05 117.38 119.79 2b6m n GLN 2 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 2b6m n GLN 2 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 2b6m n GLN 2 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2b6m n TYR 3 N -1.89 3.26 -3.83 2.61 0.53 -1.26 -4.77 117.16 111.81 2b6m n TYR 3 Ca 0.00 -2.26 -0.36 0.00 -1.02 0.00 0.00 57.90 54.26 2b6m n TYR 3 Cb 0.00 -2.40 -0.11 0.00 -1.03 0.00 0.00 39.34 35.80 2b6m n TYR 3 CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 2b6m s GLU 4 N 4.78 3.84 -0.50 -0.72 0.41 -1.26 -5.02 118.70 120.22 2b6m s GLU 4 Ca 0.57 -0.40 -0.33 0.00 -0.41 0.00 0.00 54.97 54.41 2b6m s GLU 4 Cb 0.07 -3.34 -0.12 0.00 -1.78 0.00 0.00 34.13 28.96 2b6m s GLU 4 CO 0.07 -0.00 2.33 -3.47 -0.49 0.00 0.00 175.26 173.69 2b6m n ASP 5 N 4.39 1.82 0.00 -0.19 2.03 -1.26 0.65 116.55 123.99 2b6m n ASP 5 Ca -0.16 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2b6m n ASP 5 Cb 0.52 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 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 6.45 1.20 0.00 0.27 0.00 -0.10 -4.93 105.19 108.08 2b6m n GLY 6 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.32 1.61 -0.00 0.21 -4.77 118.16 115.53 2b6m n LYS 7 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.51 2b6m n LYS 7 Cb 0.00 0.00 1.04 0.00 -0.00 0.00 0.00 35.03 36.07 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 0.01 0.00 2.48 -1.50 0.00 0.00 178.83 179.82 2b6m n TYR 9 N -3.16 -0.00 -3.84 2.96 4.11 -1.26 -0.59 117.16 115.38 2b6m n TYR 9 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.80 2b6m n TYR 9 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.48 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 -2.21 0.00 0.34 -3.48 -4.23 -0.93 -0.93 115.64 104.20 2b6m s THR 10 Ca 0.00 -1.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.59 2b6m s THR 10 Cb 0.00 -2.40 -0.06 0.00 1.34 0.00 0.00 72.50 71.38 2b6m s THR 10 CO 0.00 0.00 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.11 2b6m s THR 11 N -3.20 2.13 -0.13 3.99 2.01 -1.26 -1.48 115.64 117.70 2b6m s THR 11 Ca 0.13 -2.18 -0.12 0.00 0.31 0.00 0.00 61.69 59.83 2b6m s THR 11 Cb -0.06 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2b6m s THR 11 CO 0.09 -0.21 0.25 -0.76 -0.69 0.00 0.00 174.62 173.30 2b6m s LEU 12 N -3.59 4.32 0.48 4.42 2.01 -0.56 -4.91 118.68 120.87 2b6m s LEU 12 Ca 0.32 0.54 0.25 0.00 0.01 0.00 0.00 54.13 55.25 2b6m s LEU 12 Cb 0.03 -2.29 1.24 0.00 0.01 0.00 0.00 46.19 45.17 2b6m s LEU 12 CO 0.16 0.23 1.98 -0.33 1.01 0.00 0.00 176.35 179.41 2b6m h GLU 13 N 5.86 0.00 -2.51 1.70 5.08 -1.99 -3.29 114.58 119.43 2b6m h GLU 13 Ca -0.47 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.30 2b6m h GLU 13 Cb 1.19 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.04 2b6m h GLU 13 CO 0.68 0.18 -0.85 1.63 -1.00 0.00 0.00 179.01 179.65 2b6m n LYS 14 N -3.64 0.93 -1.58 2.33 5.02 -1.26 -5.12 118.16 114.84 2b6m n LYS 14 Ca -0.01 -3.69 -0.43 0.00 -2.02 0.00 0.00 58.31 52.17 2b6m n LYS 14 Cb 0.30 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 2b6m n LYS 14 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2b6m n PRO 15 N 2.23 1.22 -3.30 1.97 -0.04 -1.24 -4.93 135.00 130.91 2b6m n PRO 15 Ca 0.26 0.43 -0.38 0.00 -0.04 0.00 0.00 63.50 63.77 2b6m n PRO 15 Cb 0.44 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.22 5.15 0.46 0.52 1.01 -0.08 -5.01 120.40 121.24 2b6m s VAL 16 Ca 0.61 0.90 -0.16 0.00 0.00 0.00 0.00 61.98 63.34 2b6m s VAL 16 Cb -0.62 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 2b6m s VAL 16 CO 0.58 0.24 0.92 0.00 0.00 0.00 0.00 175.10 176.84 2b6m s ALA 17 N 1.22 3.13 -1.03 5.51 0.00 -1.26 -4.15 121.76 125.18 2b6m s ALA 17 Ca 0.24 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 2b6m s ALA 17 Cb -0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2b6m s ALA 17 CO 0.09 -0.07 0.84 0.41 0.00 0.00 0.00 175.76 177.03 2b6m n GLY 18 N -1.23 -1.13 3.38 0.00 0.00 -1.26 -5.01 105.19 99.94 2b6m n GLY 18 Ca 0.06 0.53 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.35 2.35 0.57 4.61 0.00 -1.26 -5.09 121.76 119.59 2b6m s ALA 19 Ca 0.39 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 2b6m s ALA 19 Cb -0.09 -0.51 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 2b6m s ALA 19 CO 0.79 0.54 0.74 -2.30 0.00 0.00 0.00 175.76 175.53 2b6m n PRO 20 N 1.56 0.72 -0.17 0.00 -0.02 -1.26 -4.62 135.00 131.20 2b6m n PRO 20 Ca -0.17 0.28 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 2b6m n PRO 20 Cb 0.52 -1.91 0.07 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.42 0.10 -3.62 -0.52 4.20 -1.94 -3.29 115.11 110.48 2b6m h GLN 21 Ca -0.47 -0.01 -0.54 0.00 0.06 0.00 0.00 58.65 57.70 2b6m h GLN 21 Cb 1.38 -0.02 -0.40 0.00 0.30 0.00 0.00 27.48 28.74 2b6m h GLN 21 CO 0.49 0.07 -0.77 0.08 -0.67 0.00 0.00 178.83 178.04 2b6m s VAL 22 N -6.17 0.70 -0.21 -0.54 1.01 -1.25 0.17 120.40 114.10 2b6m s VAL 22 Ca -0.14 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 2b6m s VAL 22 Cb 0.17 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 2b6m s VAL 22 CO 0.73 -0.32 -0.05 -0.22 0.00 0.00 0.00 175.10 175.24 2b6m s LEU 23 N 1.76 2.87 -0.10 3.92 0.20 -0.17 -1.07 118.68 126.08 2b6m s LEU 23 Ca 0.01 -0.39 -0.05 0.00 0.69 0.00 0.00 54.13 54.39 2b6m s LEU 23 Cb -0.17 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 2b6m s LEU 23 CO -0.12 -0.01 0.10 -0.70 -0.29 0.00 0.00 176.35 175.33 2b6m s GLU 24 N 1.41 3.31 -0.07 1.98 2.12 0.13 -0.44 118.70 127.14 2b6m s GLU 24 Ca 0.05 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.18 2b6m s GLU 24 Cb -0.14 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 2b6m s GLU 24 CO -0.03 0.75 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.24 2b6m s PHE 25 N -1.02 2.75 0.24 5.30 0.08 0.36 -0.25 117.98 125.44 2b6m s PHE 25 Ca 0.16 -0.27 -0.19 0.00 0.12 0.00 0.00 56.93 56.75 2b6m s PHE 25 Cb -0.12 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 2b6m s PHE 25 CO 0.05 0.10 0.60 -0.59 -0.10 0.00 0.00 175.22 175.28 2b6m s PHE 26 N -0.45 -0.09 -0.14 0.36 -0.71 -0.66 -1.13 117.98 115.15 2b6m s PHE 26 Ca 0.06 -0.29 -0.06 0.00 -1.04 0.00 0.00 56.93 55.60 2b6m s PHE 26 Cb -0.12 0.50 0.07 0.00 -1.21 0.00 0.00 43.02 42.26 2b6m s PHE 26 CO 0.02 -1.06 0.31 0.45 -1.34 0.00 0.00 175.22 173.59 2b6m s SER 27 N -2.91 0.09 0.59 1.98 0.15 -1.26 -1.76 113.70 110.58 2b6m s SER 27 Ca 0.12 0.69 0.29 0.00 0.70 0.00 0.00 55.95 57.75 2b6m s SER 27 Cb -0.03 0.82 1.41 0.00 -1.71 0.00 0.00 66.02 66.50 2b6m s SER 27 CO 0.03 -0.23 1.81 -0.26 1.20 0.00 0.00 173.24 175.79 2b6m h PHE 28 N 8.06 0.00 -0.01 3.44 0.04 -1.95 0.16 116.94 126.67 2b6m h PHE 28 Ca -0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.58 2b6m h PHE 28 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 2b6m h PHE 28 CO 0.34 0.00 -0.00 1.19 -0.60 0.00 0.00 178.31 179.24 2b6m n PHE 29 N -3.64 0.00 -3.80 -0.55 3.72 -1.26 -4.62 117.46 107.30 2b6m n PHE 29 Ca 0.11 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.14 2b6m n PHE 29 Cb 0.81 -0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 39.21 2b6m n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b6m n ALA 31 N 4.70 0.81 -0.00 0.00 0.00 -1.26 -0.37 120.51 124.38 2b6m n ALA 31 Ca -0.10 0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 2b6m n ALA 31 Cb 0.43 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.74 2b6m n ALA 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2b6m h HIS 32 N 0.00 0.00 0.00 0.00 -0.00 -1.92 -3.20 115.15 110.03 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 0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2b6m h HIS 32 CO 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 177.93 178.93 2b6m n ALA 33 N -2.51 2.00 0.09 2.45 0.00 0.50 -2.27 120.51 120.77 2b6m n ALA 33 Ca -0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 2b6m n ALA 33 Cb 1.03 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 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 0.00 0.02 0.00 5.03 -1.49 -3.33 116.97 117.20 2b6m h TYR 34 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 2b6m h TYR 34 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.69 2b6m h TYR 34 CO 0.00 0.85 -0.01 1.96 -1.32 0.00 0.00 178.16 179.64 2b6m h GLN 35 N 0.00 -0.03 0.00 1.82 1.08 -1.54 -2.18 115.11 114.26 2b6m h GLN 35 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2b6m h GLN 35 Cb 1.62 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 2b6m h GLN 35 CO 0.11 0.72 0.87 0.35 -0.95 0.00 0.00 178.83 179.93 2b6m h PHE 36 N -0.86 0.00 0.00 2.96 3.57 -1.64 0.16 116.94 121.13 2b6m h PHE 36 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2b6m h PHE 36 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 2b6m h PHE 36 CO 0.19 0.00 -0.51 0.39 -2.23 0.00 0.00 178.31 176.16 2b6m n GLU 37 N -2.32 2.66 -0.01 1.11 -0.58 -1.24 -2.17 120.64 118.09 2b6m n GLU 37 Ca -0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 2b6m n GLU 37 Cb 0.88 -0.75 -0.12 0.00 -0.57 0.00 0.00 31.44 30.88 2b6m n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2b6m n GLU 38 N -0.92 0.83 0.00 3.49 4.71 -0.42 -3.63 120.64 124.71 2b6m n GLU 38 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 2b6m n GLU 38 Cb 0.08 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 2b6m n GLU 38 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2b6m n VAL 39 N -1.88 0.00 -0.00 2.62 0.31 0.36 -4.76 118.33 114.97 2b6m n VAL 39 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.42 2b6m n VAL 39 Cb 0.38 -0.71 -0.15 0.00 -0.91 0.00 0.00 33.84 32.45 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 -2.05 0.01 -2.12 7.52 4.32 0.01 -4.95 117.00 119.73 2b6m n LEU 40 Ca 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 2b6m n LEU 40 Cb 0.44 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.24 2b6m n LEU 40 CO 0.00 0.00 -0.03 1.41 -1.22 0.00 0.00 177.39 177.55 2b6m n HIS 41 N -2.19 -1.62 -0.23 -1.77 8.25 -1.23 -4.67 115.22 111.78 2b6m n HIS 41 Ca -0.04 0.00 0.30 0.00 -0.26 0.00 0.00 57.72 57.72 2b6m n HIS 41 Cb 0.52 -1.36 0.72 0.00 1.12 0.00 0.00 29.99 30.99 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 0.51 -0.42 1.59 1.08 -1.73 1.35 117.51 119.89 2b6m h ILE 42 Ca -0.06 -0.01 -0.06 0.00 -0.39 0.00 0.00 64.86 64.34 2b6m h ILE 42 Cb 0.82 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2b6m h ILE 42 CO 0.07 0.00 0.04 0.28 -0.69 0.00 0.00 178.15 177.86 2b6m h SER 43 N 0.03 0.69 0.11 1.72 0.02 -1.83 -2.58 113.55 111.70 2b6m h SER 43 Ca 0.47 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2b6m h SER 43 Cb 1.84 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2b6m h SER 43 CO -0.02 0.79 -0.05 0.44 -1.14 0.00 0.00 176.83 176.85 2b6m h ASP 44 N 0.56 -0.12 -0.10 3.07 3.32 0.12 -0.59 116.42 122.67 2b6m h ASP 44 Ca 0.12 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.91 2b6m h ASP 44 Cb 0.42 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2b6m h ASP 44 CO 0.01 0.48 0.37 0.78 -1.72 0.00 0.00 179.24 179.16 2b6m h ASN 45 N -0.98 0.00 0.25 6.45 2.35 -0.39 0.64 115.58 123.90 2b6m h ASN 45 Ca -0.01 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.40 2b6m h ASN 45 Cb 0.40 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 2b6m h ASN 45 CO 0.02 0.00 -1.93 0.52 -1.65 0.00 0.00 177.43 174.39 2b6m n VAL 46 N -3.09 1.69 -0.04 2.81 0.31 -0.97 -3.53 118.33 115.50 2b6m n VAL 46 Ca 0.00 -0.71 0.11 0.00 -0.01 0.00 0.00 64.34 63.73 2b6m n VAL 46 Cb 0.45 -1.41 0.51 0.00 -0.91 0.00 0.00 33.84 32.48 2b6m n VAL 46 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2b6m h LYS 47 N 0.04 0.37 0.00 5.55 6.56 0.19 -1.16 116.57 128.12 2b6m h LYS 47 Ca -0.39 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 2b6m h LYS 47 Cb 2.03 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 33.61 2b6m h LYS 47 CO 0.07 0.25 0.00 1.63 -2.06 0.00 0.00 179.45 179.34 2b6m n LYS 48 N -4.47 0.00 0.00 3.15 5.02 0.01 -3.30 118.16 118.57 2b6m n LYS 48 Ca 0.08 0.43 0.01 0.00 -2.02 0.00 0.00 58.31 56.81 2b6m n LYS 48 Cb 0.31 -1.34 0.03 0.00 -0.02 0.00 0.00 35.03 34.02 2b6m n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2b6m n LYS 49 N -1.80 0.01 -1.80 1.97 4.01 -1.17 -4.73 118.16 114.65 2b6m n LYS 49 Ca 0.00 0.39 -0.40 0.00 -0.51 0.00 0.00 58.31 57.79 2b6m n LYS 49 Cb 0.00 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.03 2b6m n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2b6m s LEU 50 N -2.83 4.20 1.11 -0.35 1.43 -0.45 -4.77 118.68 117.03 2b6m s LEU 50 Ca 0.01 2.97 -0.18 0.00 -1.03 0.00 0.00 54.13 55.90 2b6m s LEU 50 Cb 0.01 -3.82 0.13 0.00 0.03 0.00 0.00 46.19 42.54 2b6m s LEU 50 CO 0.03 -1.04 0.08 -2.65 0.23 0.00 0.00 176.35 172.99 2b6m n PRO 51 N 0.09 -1.92 -2.51 1.29 -0.02 -1.26 -4.82 135.00 125.84 2b6m n PRO 51 Ca 0.03 -0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 60.56 2b6m n PRO 51 Cb 0.41 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 2b6m n PRO 51 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2b6m s GLU 52 N -3.50 3.33 0.00 -0.52 1.03 -1.26 -3.20 118.70 114.58 2b6m s GLU 52 Ca 0.52 -0.61 0.00 0.00 0.03 0.00 0.00 54.97 54.90 2b6m s GLU 52 Cb -0.10 -4.77 0.00 0.00 -0.80 0.00 0.00 34.13 28.47 2b6m s GLU 52 CO 0.58 -2.25 0.00 0.41 -1.33 0.00 0.00 175.26 172.67 2b6m n GLY 53 N 6.14 1.80 3.22 -3.83 0.00 -1.26 -5.09 105.19 106.18 2b6m n GLY 53 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 4.46 0.01 1.61 1.01 -1.19 -5.06 120.40 119.24 2b6m s VAL 54 Ca 0.00 -2.11 -0.30 0.00 0.00 0.00 0.00 61.98 59.57 2b6m s VAL 54 Cb 0.00 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2b6m s VAL 54 CO 0.00 -0.85 1.56 -1.59 0.00 0.00 0.00 175.10 174.22 2b6m s LYS 55 N 0.90 4.22 -0.68 2.72 0.00 -1.26 -4.88 119.74 120.77 2b6m s LYS 55 Ca 0.10 2.16 -0.16 0.00 0.00 0.00 0.00 55.97 58.07 2b6m s LYS 55 Cb -0.22 -3.68 0.16 0.00 0.00 0.00 0.00 37.83 34.08 2b6m s LYS 55 CO -0.02 -0.71 0.67 1.41 0.00 0.00 0.00 175.35 176.70 2b6m s MET 56 N 2.89 3.26 0.39 1.78 1.75 -1.26 -3.97 119.30 124.15 2b6m s MET 56 Ca 0.70 -1.92 -0.24 0.00 -1.25 0.00 0.00 55.69 52.99 2b6m s MET 56 Cb -0.35 -4.38 -0.10 0.00 2.84 0.00 0.00 34.83 32.84 2b6m s MET 56 CO 0.29 -1.38 1.00 0.99 -0.65 0.00 0.00 175.02 175.27 2b6m s THR 57 N 1.35 4.01 -0.10 10.11 2.01 -0.24 -4.93 115.64 127.86 2b6m s THR 57 Ca 0.12 1.47 0.01 0.00 0.31 0.00 0.00 61.69 63.60 2b6m s THR 57 Cb -0.20 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2b6m s THR 57 CO -0.02 -0.05 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.22 2b6m s LYS 58 N -2.60 1.65 -0.06 4.92 1.02 -1.26 0.20 119.74 123.61 2b6m s LYS 58 Ca 0.58 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.24 2b6m s LYS 58 Cb -0.18 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.56 2b6m s LYS 58 CO 0.22 -0.14 -0.10 0.71 -0.92 0.00 0.00 175.35 175.12 2b6m s TYR 59 N 1.25 2.83 0.08 3.18 1.51 0.66 -4.94 117.35 121.92 2b6m s TYR 59 Ca -0.03 -0.07 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 2b6m s TYR 59 Cb -0.14 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 2b6m s TYR 59 CO -0.03 0.26 0.35 -1.58 -1.11 0.00 0.00 175.55 173.44 2b6m s HIS 60 N -0.75 3.54 0.04 2.71 5.65 -1.26 -1.66 115.29 123.57 2b6m s HIS 60 Ca 0.11 0.64 0.06 0.00 0.25 0.00 0.00 55.06 56.13 2b6m s HIS 60 Cb -0.11 -2.05 -0.02 0.00 -1.18 0.00 0.00 32.58 29.21 2b6m s HIS 60 CO 0.01 0.52 -0.18 0.14 -0.65 0.00 0.00 174.74 174.58 2b6m s VAL 61 N -1.46 1.44 0.11 0.89 -7.23 -0.72 -4.79 120.40 108.64 2b6m s VAL 61 Ca 0.34 -1.08 -0.31 0.00 -1.81 0.00 0.00 61.98 59.12 2b6m s VAL 61 Cb -0.13 -1.26 -0.07 0.00 0.56 0.00 0.00 36.38 35.47 2b6m s VAL 61 CO 0.20 0.15 1.29 0.21 -0.31 0.00 0.00 175.10 176.65 2b6m s ASN 62 N -1.09 6.95 0.00 4.85 3.84 -1.26 -4.66 114.94 123.57 2b6m s ASN 62 Ca 0.05 2.21 0.00 0.00 0.21 0.00 0.00 52.86 55.33 2b6m s ASN 62 Cb -0.08 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 2b6m s ASN 62 CO 0.01 -0.55 0.00 0.33 -2.79 0.00 0.00 177.10 174.11 2b6m n PHE 63 N 3.70 0.00 0.11 0.43 -0.00 -1.26 -4.72 117.46 115.72 2b6m n PHE 63 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.42 2b6m n PHE 63 Cb 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.84 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 -0.29 0.00 -4.13 2.86 -1.99 -3.48 114.93 107.90 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 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.44 2b6m n GLY 65 N -0.14 0.03 3.55 8.32 0.00 -1.26 -5.13 105.19 110.56 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 -4.86 107.32 102.61 2b6m s GLY 66 Ca 0.00 -0.55 0.12 0.00 0.00 0.00 0.00 44.72 44.29 2b6m s GLY 66 CO 0.00 0.23 2.00 -0.55 0.00 0.00 0.00 173.10 174.78 2b6m h ASP 67 N -2.49 0.16 -0.53 1.64 3.32 -2.00 -2.98 116.42 113.54 2b6m h ASP 67 Ca -0.53 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 2b6m h ASP 67 Cb 1.33 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 2b6m h ASP 67 CO 0.46 0.25 0.31 0.25 -1.72 0.00 0.00 179.24 178.79 2b6m h LEU 68 N 0.17 0.64 -0.76 1.55 6.46 -1.94 -0.72 115.31 120.71 2b6m h LEU 68 Ca 0.04 -0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.68 2b6m h LEU 68 Cb 0.23 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 2b6m h LEU 68 CO 0.01 0.52 0.29 1.23 -0.62 0.00 0.00 178.44 179.87 2b6m h GLY 69 N 0.71 1.23 1.64 3.75 0.00 -1.88 -0.04 103.07 108.48 2b6m h GLY 69 Ca 0.19 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 2b6m h GLY 69 CO -0.03 0.64 -0.18 1.70 0.00 0.00 0.00 176.54 178.67 2b6m h LYS 70 N 1.10 0.43 -0.20 4.80 3.64 -1.46 -1.59 116.57 123.30 2b6m h LYS 70 Ca 0.25 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 2b6m h LYS 70 Cb 0.24 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2b6m h LYS 70 CO -0.02 0.60 -0.46 -0.44 -2.27 0.00 0.00 179.45 176.87 2b6m h ASP 71 N 0.39 0.74 0.33 4.20 3.32 -0.66 -2.52 116.42 122.23 2b6m h ASP 71 Ca 0.07 -0.56 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 2b6m h ASP 71 Cb 0.55 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2b6m h ASP 71 CO 0.04 1.17 -0.33 -0.07 -1.72 0.00 0.00 179.24 178.33 2b6m h LEU 72 N 0.35 0.00 -0.34 1.55 3.38 -0.81 1.50 115.31 120.94 2b6m h LEU 72 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2b6m h LEU 72 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2b6m h LEU 72 CO 0.10 0.33 -0.17 0.74 0.09 0.00 0.00 178.44 179.53 2b6m h THR 73 N 0.00 1.29 -0.35 0.22 2.02 -1.26 0.19 112.91 115.01 2b6m h THR 73 Ca -0.00 -1.29 -0.12 0.00 0.77 0.00 0.00 66.41 65.77 2b6m h THR 73 Cb 0.58 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2b6m h THR 73 CO 0.04 0.42 -0.25 -0.61 0.37 0.00 0.00 175.52 175.50 2b6m h GLN 74 N 0.49 0.79 0.00 6.66 4.15 -0.94 -1.17 115.11 125.09 2b6m h GLN 74 Ca 0.07 -0.38 -0.04 0.00 0.77 0.00 0.00 58.65 59.08 2b6m h GLN 74 Cb 0.71 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2b6m h GLN 74 CO 0.05 1.00 -0.19 0.00 -1.93 0.00 0.00 178.83 177.77 2b6m h ALA 75 N 0.77 1.59 -0.13 3.38 0.00 0.23 -1.13 119.26 123.98 2b6m h ALA 75 Ca 0.07 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 2b6m h ALA 75 Cb 0.81 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2b6m h ALA 75 CO 0.07 0.23 -0.82 2.35 0.00 0.00 0.00 179.25 181.08 2b6m h TRP 76 N 0.00 1.04 0.00 0.00 2.91 -0.23 -2.71 115.95 116.96 2b6m h TRP 76 Ca -0.00 -0.47 -0.03 0.00 1.13 0.00 0.00 58.89 59.51 2b6m h TRP 76 Cb 0.35 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 28.84 2b6m h TRP 76 CO 0.00 1.30 -0.14 0.00 -1.03 0.00 0.00 178.44 178.57 2b6m h ALA 77 N 0.56 1.38 -0.18 2.65 0.00 -0.27 -1.08 119.26 122.32 2b6m h ALA 77 Ca -0.06 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 2b6m h ALA 77 Cb 1.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2b6m h ALA 77 CO 0.17 0.18 -0.61 0.28 0.00 0.00 0.00 179.25 179.27 2b6m h VAL 78 N 0.00 1.32 0.16 0.00 2.07 -1.04 -1.28 116.25 117.47 2b6m h VAL 78 Ca -0.00 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 2b6m h VAL 78 Cb 0.34 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2b6m h VAL 78 CO 0.02 0.58 -0.07 0.00 0.02 0.00 0.00 177.57 178.12 2b6m h ALA 79 N 0.85 -0.21 0.00 1.67 0.00 -0.92 0.46 119.26 121.11 2b6m h ALA 79 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2b6m h ALA 79 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2b6m h ALA 79 CO 0.12 -0.45 0.00 0.52 0.00 0.00 0.00 179.25 179.44 2b6m h MET 80 N -0.55 0.00 0.10 0.00 2.86 -1.30 0.77 114.93 116.82 2b6m h MET 80 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2b6m h MET 80 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2b6m h MET 80 CO 0.04 0.00 -0.05 0.00 1.06 0.00 0.00 176.91 177.96 2b6m h ALA 81 N 2.00 -0.14 -0.14 6.32 0.00 -0.41 -3.24 119.26 123.65 2b6m h ALA 81 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2b6m h ALA 81 Cb 0.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2b6m h ALA 81 CO 0.00 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.37 2b6m n LEU 82 N -4.84 1.14 -3.15 0.00 4.77 0.15 -4.88 117.00 110.21 2b6m n LEU 82 Ca -0.06 -0.57 -0.19 0.00 -0.03 0.00 0.00 56.01 55.16 2b6m n LEU 82 Cb 0.22 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2b6m n LEU 82 CO 0.18 0.24 -0.06 0.61 -1.33 0.00 0.00 177.39 177.02 2b6m n GLY 83 N 0.56 -0.48 1.28 -0.72 0.00 0.26 -4.82 105.19 101.27 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 1.99 -0.27 1.61 0.24 -0.44 -4.69 118.33 113.13 2b6m n VAL 84 Ca -0.03 -1.41 -0.07 0.00 -2.04 0.00 0.00 64.34 60.80 2b6m n VAL 84 Cb 0.54 0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.90 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 3.07 -0.13 -3.82 7.34 5.08 -1.88 -2.01 114.58 122.22 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 1.43 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.59 2b6m h GLU 85 CO 0.24 -0.09 2.31 -0.25 -1.00 0.00 0.00 179.01 180.21 2b6m n ASP 86 N -5.41 4.74 0.00 1.42 8.00 -1.26 -1.84 116.55 122.21 2b6m n ASP 86 Ca 0.04 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.52 2b6m n ASP 86 Cb 0.35 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 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 4.81 0.00 -0.01 -1.24 5.02 -0.79 -4.94 118.16 121.01 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 -0.73 0.00 -0.00 -0.18 0.24 -1.01 -4.64 118.33 112.01 2b6m n VAL 88 Ca 0.00 -0.34 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 2b6m n VAL 88 Cb 0.00 0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.07 3.34 2.02 -1.61 -0.62 112.91 115.97 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 0.72 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 2b6m h THR 89 CO 0.00 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.27 2b6m h VAL 90 N -0.24 0.51 -0.62 3.16 2.07 -1.87 0.29 116.25 119.54 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 0.29 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2b6m h VAL 90 CO -0.18 0.00 0.29 1.55 0.02 0.00 0.00 177.57 179.25 2b6m h PRO 91 N -0.29 0.88 -0.07 1.57 0.13 -1.81 1.04 132.00 133.45 2b6m h PRO 91 Ca 0.08 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2b6m h PRO 91 Cb 0.40 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 2b6m h PRO 91 CO -0.23 0.68 0.04 -0.07 -0.23 0.00 0.00 178.00 178.19 2b6m h LEU 92 N 0.88 0.08 -0.26 1.56 3.38 -0.69 3.52 115.31 123.78 2b6m h LEU 92 Ca 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2b6m h LEU 92 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2b6m h LEU 92 CO -0.03 0.14 0.11 -0.26 0.09 0.00 0.00 178.44 178.49 2b6m h PHE 93 N 0.02 0.40 -0.58 1.13 0.04 -0.41 0.32 116.94 117.86 2b6m h PHE 93 Ca 0.02 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2b6m h PHE 93 Cb 0.08 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 2b6m h PHE 93 CO -0.05 0.40 0.37 0.93 -0.60 0.00 0.00 178.31 179.37 2b6m h GLU 94 N 0.28 0.76 -0.05 1.51 4.39 0.14 -2.05 114.58 119.56 2b6m h GLU 94 Ca 0.09 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2b6m h GLU 94 Cb 0.17 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2b6m h GLU 94 CO -0.01 0.52 0.01 0.78 -1.16 0.00 0.00 179.01 179.15 2b6m h GLY 95 N 0.78 0.09 1.21 -3.84 0.00 0.70 0.16 103.07 102.17 2b6m h GLY 95 Ca 0.21 -0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 2b6m h GLY 95 CO -0.04 0.05 -0.43 -2.08 0.00 0.00 0.00 176.54 174.03 2b6m h VAL 96 N -0.12 1.28 0.00 4.60 2.07 -0.30 0.78 116.25 124.55 2b6m h VAL 96 Ca 0.02 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 2b6m h VAL 96 Cb 0.22 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2b6m h VAL 96 CO -0.00 0.53 -1.06 0.00 0.02 0.00 0.00 177.57 177.06 2b6m n GLN 97 N -4.04 2.71 0.00 1.57 10.64 -0.78 -4.38 117.38 123.11 2b6m n GLN 97 Ca -0.03 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 2b6m n GLN 97 Cb 0.56 -1.03 0.00 0.00 -0.86 0.00 0.00 30.24 28.92 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 -0.55 -4.39 118.16 119.01 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 35.40 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 0.28 -6.41 3.15 1.35 -0.94 -3.47 112.91 106.87 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 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 2b6m h THR 99 CO 0.00 0.10 -0.90 0.00 -0.25 0.00 0.00 175.52 174.47 2b6m n GLN 100 N -3.28 -2.81 -0.00 4.72 6.02 -0.53 -4.89 117.38 116.60 2b6m n GLN 100 Ca -0.00 0.42 0.09 0.00 -0.01 0.00 0.00 57.00 57.50 2b6m n GLN 100 Cb 0.33 -4.41 -0.11 0.00 1.02 0.00 0.00 30.24 27.06 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 -4.36 0.00 -2.95 5.09 -2.24 0.15 -4.87 114.28 105.10 2b6m n THR 101 Ca -0.25 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 2b6m n THR 101 Cb 0.66 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 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 -2.78 4.59 0.00 2.28 1.01 -1.18 -4.79 121.20 120.33 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 0.13 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2b6m s ILE 102 CO 0.74 -0.90 0.45 0.54 0.00 0.00 0.00 174.94 175.77 2b6m n ARG 103 N 6.92 0.29 -3.92 2.79 1.74 -1.26 -4.82 116.66 118.39 2b6m n ARG 103 Ca 0.00 -0.55 -0.08 0.00 -0.77 0.00 0.00 57.85 56.45 2b6m n ARG 103 Cb 0.47 -0.75 -0.04 0.00 -1.02 0.00 0.00 32.46 31.12 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 0.56 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 1.61 0.00 0.10 0.00 0.00 66.02 68.39 2b6m s SER 104 CO 0.00 -1.25 2.09 0.00 0.98 0.00 0.00 173.24 175.05 2b6m h ALA 105 N 2.12 1.06 0.05 5.32 0.00 -1.95 -2.63 119.26 123.22 2b6m h ALA 105 Ca -0.22 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 2b6m h ALA 105 Cb 1.25 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.05 2b6m h ALA 105 CO 0.29 0.06 -0.93 0.66 0.00 0.00 0.00 179.25 179.33 2b6m h SER 106 N 0.00 0.73 -0.53 0.00 4.64 -1.98 -2.26 113.55 114.14 2b6m h SER 106 Ca -0.00 -0.79 -0.02 0.00 -0.47 0.00 0.00 61.79 60.51 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 1.44 0.28 0.44 -0.87 0.00 0.00 176.83 178.13 2b6m h ASP 107 N 0.11 0.70 -0.43 4.97 3.32 -1.83 0.29 116.42 123.56 2b6m h ASP 107 Ca -0.13 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 2b6m h ASP 107 Cb 1.63 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 2b6m h ASP 107 CO 0.18 0.59 0.14 0.40 -1.72 0.00 0.00 179.24 178.83 2b6m h ILE 108 N 0.79 1.22 -0.21 0.35 2.04 -1.49 -0.71 117.51 119.50 2b6m h ILE 108 Ca 0.20 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.38 2b6m h ILE 108 Cb 0.06 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2b6m h ILE 108 CO -0.03 0.26 -0.05 -0.09 0.00 0.00 0.00 178.15 178.24 2b6m h ARG 109 N 0.56 -0.00 0.01 2.37 2.43 -0.55 -2.20 114.38 117.00 2b6m h ARG 109 Ca 0.14 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2b6m h ARG 109 Cb 0.26 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 2b6m h ARG 109 CO -0.00 -0.00 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.72 2b6m h ASP 110 N -0.00 -0.87 -1.01 -3.80 3.32 0.13 -1.28 116.42 112.90 2b6m h ASP 110 Ca 0.10 0.12 0.25 0.00 0.02 0.00 0.00 57.03 57.52 2b6m h ASP 110 Cb 0.15 0.35 -0.12 0.00 0.22 0.00 0.00 39.33 39.94 2b6m h ASP 110 CO -0.21 -0.36 0.61 0.58 -1.72 0.00 0.00 179.24 178.14 2b6m h VAL 111 N -0.44 0.53 0.00 -1.35 2.07 -0.79 0.23 116.25 116.49 2b6m h VAL 111 Ca 0.06 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2b6m h VAL 111 Cb 0.53 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2b6m h VAL 111 CO -0.25 0.10 -0.21 -0.26 0.02 0.00 0.00 177.57 176.97 2b6m h PHE 112 N 0.54 0.00 0.07 1.57 -1.00 -0.63 -3.10 116.94 114.39 2b6m h PHE 112 Ca 0.64 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.33 2b6m h PHE 112 Cb 1.29 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.86 2b6m h PHE 112 CO -0.01 0.21 -0.40 0.82 -1.61 0.00 0.00 178.31 177.33 2b6m h ILE 113 N 0.00 1.65 0.00 -0.55 2.04 -0.13 -1.97 117.51 118.55 2b6m h ILE 113 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2b6m h ILE 113 Cb 0.52 3.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 2b6m h ILE 113 CO 0.03 0.66 0.00 0.59 0.00 0.00 0.00 178.15 179.42 2b6m n ASN 114 N -4.38 0.00 -0.39 1.72 5.03 -0.85 -0.38 115.26 116.02 2b6m n ASN 114 Ca -0.12 -0.33 0.06 0.00 0.87 0.00 0.00 54.58 55.06 2b6m n ASN 114 Cb 0.64 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.44 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 -0.79 2.59 0.00 5.41 0.00 -1.18 -4.98 120.51 121.56 2b6m n ALA 115 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2b6m n ALA 115 Cb 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.71 1.11 3.58 0.00 0.00 0.49 -4.99 105.19 106.09 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 5.05 0.15 -0.61 1.09 -0.74 -5.02 121.20 119.11 2b6m s ILE 117 Ca 0.00 0.08 -0.31 0.00 -1.10 0.00 0.00 60.65 59.31 2b6m s ILE 117 Cb 0.00 -3.37 -0.11 0.00 -1.06 0.00 0.00 42.46 37.92 2b6m s ILE 117 CO 0.00 0.32 1.80 -0.54 -0.10 0.00 0.00 174.94 176.42 2b6m s LYS 118 N 1.37 4.13 0.05 2.79 1.02 -1.26 -3.83 119.74 124.02 2b6m s LYS 118 Ca 0.07 2.60 0.02 0.00 0.02 0.00 0.00 55.97 58.68 2b6m s LYS 118 Cb -0.15 -3.43 0.13 0.00 -0.52 0.00 0.00 37.83 33.86 2b6m s LYS 118 CO 0.06 -0.82 0.90 0.41 -0.92 0.00 0.00 175.35 174.99 2b6m n GLY 119 N 4.16 -0.37 0.13 -3.33 0.00 -1.26 -1.01 105.19 103.50 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 -3.27 114.58 115.23 2b6m h GLU 120 Ca 0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2b6m h GLU 120 Cb 0.40 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2b6m h GLU 120 CO 0.00 1.17 0.00 1.49 0.07 0.00 0.00 179.01 181.74 2b6m h GLU 121 N -0.24 0.00 0.21 1.06 4.81 -1.44 -2.35 114.58 116.62 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 1.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.21 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 -0.97 0.92 3.20 -1.58 -2.27 116.97 116.01 2b6m h TYR 122 Ca 0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2b6m h TYR 122 Cb 0.63 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 2b6m h TYR 122 CO 0.00 0.12 0.63 -0.44 -1.64 0.00 0.00 178.16 176.82 2b6m h ASP 123 N -0.92 1.00 -0.60 -2.11 3.32 -1.59 1.11 116.42 116.63 2b6m h ASP 123 Ca -0.03 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.12 2b6m h ASP 123 Cb 0.49 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2b6m h ASP 123 CO 0.05 0.64 0.24 0.00 -1.72 0.00 0.00 179.24 178.45 2b6m h ALA 124 N 1.47 0.78 0.13 3.45 0.00 -1.43 -1.02 119.26 122.63 2b6m h ALA 124 Ca 0.41 0.07 -0.28 0.00 0.00 0.00 0.00 54.91 55.12 2b6m h ALA 124 Cb 0.16 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.02 2b6m h ALA 124 CO -0.16 -0.17 -1.17 0.00 0.00 0.00 0.00 179.25 177.75 2b6m h ALA 125 N 1.40 -0.03 -0.95 0.00 0.00 -0.31 -3.11 119.26 116.26 2b6m h ALA 125 Ca 0.30 -0.75 0.15 0.00 0.00 0.00 0.00 54.91 54.60 2b6m h ALA 125 Cb 0.35 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2b6m h ALA 125 CO -0.29 0.62 0.60 2.35 0.00 0.00 0.00 179.25 182.54 2b6m h TRP 126 N 0.16 0.95 -0.56 0.00 2.91 0.15 -0.66 115.95 118.90 2b6m h TRP 126 Ca -0.18 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.86 2b6m h TRP 126 Cb 1.86 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 30.21 2b6m h TRP 126 CO 0.13 0.33 0.00 0.09 -1.03 0.00 0.00 178.44 177.96 2b6m n ASN 127 N -4.61 5.65 -4.91 2.65 3.02 -0.42 -4.87 115.26 111.78 2b6m n ASN 127 Ca 0.19 -2.95 -0.28 0.00 -0.03 0.00 0.00 54.58 51.51 2b6m n ASN 127 Cb 0.46 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.86 6.37 0.47 6.41 1.04 -0.25 -4.99 113.70 121.89 2b6m s SER 128 Ca 0.54 0.82 0.27 0.00 0.48 0.00 0.00 55.95 58.06 2b6m s SER 128 Cb 0.42 -2.19 0.73 0.00 0.10 0.00 0.00 66.02 65.07 2b6m s SER 128 CO 0.15 -0.39 1.75 -0.26 0.98 0.00 0.00 173.24 175.48 2b6m h PHE 129 N 0.92 0.00 0.49 5.02 -1.00 -1.91 -1.89 116.94 118.57 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 40.76 2b6m h PHE 129 CO 0.57 0.04 -0.24 0.28 -1.61 0.00 0.00 178.31 177.35 2b6m h VAL 130 N 0.00 0.38 -0.85 -0.55 2.07 -1.94 -1.69 116.25 113.67 2b6m h VAL 130 Ca -0.00 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.19 2b6m h VAL 130 Cb 0.83 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 2b6m h VAL 130 CO 0.00 0.06 0.50 0.58 0.02 0.00 0.00 177.57 178.73 2b6m h VAL 131 N -0.96 0.93 -0.72 2.57 2.07 -1.76 0.35 116.25 118.72 2b6m h VAL 131 Ca -0.07 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2b6m h VAL 131 Cb 0.60 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2b6m h VAL 131 CO 0.11 0.15 0.47 0.11 0.02 0.00 0.00 177.57 178.44 2b6m h LYS 132 N 0.85 0.85 0.02 1.57 1.57 -1.22 0.67 116.57 120.87 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 0.35 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2b6m h LYS 132 CO -0.24 0.56 -0.96 1.03 -0.57 0.00 0.00 179.45 179.28 2b6m h SER 133 N 0.88 0.39 0.08 0.86 0.87 -0.16 -1.62 113.55 114.85 2b6m h SER 133 Ca 0.28 -0.33 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 2b6m h SER 133 Cb 0.05 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2b6m h SER 133 CO -0.08 1.15 -0.41 0.25 -0.53 0.00 0.00 176.83 177.20 2b6m h LEU 134 N 0.15 0.45 0.22 2.23 5.85 0.11 -1.33 115.31 123.00 2b6m h LEU 134 Ca -0.07 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2b6m h LEU 134 Cb 1.61 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2b6m h LEU 134 CO 0.16 0.82 -0.11 0.58 -0.34 0.00 0.00 178.44 179.55 2b6m h VAL 135 N 0.35 0.85 -0.93 1.05 2.07 0.35 -2.97 116.25 117.03 2b6m h VAL 135 Ca 0.03 -0.75 0.24 0.00 0.82 0.00 0.00 66.70 67.04 2b6m h VAL 135 Cb 0.88 1.26 -0.13 0.00 -1.52 0.00 0.00 31.29 31.78 2b6m h VAL 135 CO 0.07 0.16 0.44 0.00 0.02 0.00 0.00 177.57 178.26 2b6m h ALA 136 N -0.06 1.57 -0.27 1.67 0.00 -1.09 -1.79 119.26 119.29 2b6m h ALA 136 Ca -0.03 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2b6m h ALA 136 Cb 0.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2b6m h ALA 136 CO 0.05 -0.38 -0.22 1.96 0.00 0.00 0.00 179.25 180.66 2b6m h GLN 137 N 0.40 0.62 -0.93 0.00 4.20 -1.24 -2.15 115.11 116.01 2b6m h GLN 137 Ca 0.60 -0.31 0.12 0.00 0.06 0.00 0.00 58.65 59.12 2b6m h GLN 137 Cb 1.20 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.90 2b6m h GLN 137 CO -0.55 0.91 0.56 1.96 -0.67 0.00 0.00 178.83 181.04 2b6m h GLN 138 N 0.35 0.86 -0.12 1.46 4.20 -1.16 0.15 115.11 120.85 2b6m h GLN 138 Ca 0.05 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2b6m h GLN 138 Cb 0.77 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2b6m h GLN 138 CO 0.06 0.57 -0.73 0.93 -0.67 0.00 0.00 178.83 178.99 2b6m h GLU 139 N 0.89 0.58 0.08 1.46 5.08 -1.50 -3.05 114.58 118.12 2b6m h GLU 139 Ca 0.47 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2b6m h GLU 139 Cb 0.49 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2b6m h GLU 139 CO -0.28 1.09 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.56 2b6m h LYS 140 N 0.40 -0.10 -0.65 2.33 3.11 -0.58 -2.63 116.57 118.46 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 1.33 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.55 2b6m h LYS 140 CO 0.14 0.07 0.32 0.00 -2.81 0.00 0.00 179.45 177.17 2b6m h ALA 141 N 0.64 0.83 -0.13 5.00 0.00 -1.09 0.78 119.26 125.29 2b6m h ALA 141 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2b6m h ALA 141 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2b6m h ALA 141 CO 0.02 0.39 -0.08 0.00 0.00 0.00 0.00 179.25 179.57 2b6m h ALA 142 N 1.15 1.63 -0.26 0.00 0.00 -1.54 -1.98 119.26 118.25 2b6m h ALA 142 Ca 0.22 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2b6m h ALA 142 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2b6m h ALA 142 CO -0.03 0.28 -0.58 0.00 0.00 0.00 0.00 179.25 178.92 2b6m h ALA 143 N 1.73 0.48 0.00 0.00 0.00 -0.93 -1.19 119.26 119.35 2b6m h ALA 143 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2b6m h ALA 143 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2b6m h ALA 143 CO 0.01 0.68 0.00 -0.25 0.00 0.00 0.00 179.25 179.70 2b6m n ASP 144 N -3.99 0.75 -0.59 0.00 8.00 0.18 -2.74 116.55 118.16 2b6m n ASP 144 Ca -0.05 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.13 2b6m n ASP 144 Cb 0.64 -0.79 0.06 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.24 0.00 -3.88 2.53 0.24 -0.81 -4.78 118.33 109.39 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 34.04 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 0.79 -2.85 -1.58 7.34 6.02 -0.96 -4.78 117.38 121.36 2b6m n GLN 146 Ca 0.09 0.42 -0.50 0.00 -0.01 0.00 0.00 57.00 57.00 2b6m n GLN 146 Cb 0.38 -4.42 -0.05 0.00 1.02 0.00 0.00 30.24 27.17 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 -4.36 1.53 -3.10 1.08 7.94 -0.49 -4.92 117.00 114.69 2b6m n LEU 147 Ca -0.26 1.13 -0.21 0.00 -1.11 0.00 0.00 56.01 55.57 2b6m n LEU 147 Cb 0.66 -1.20 -0.03 0.00 0.53 0.00 0.00 43.42 43.38 2b6m n LEU 147 CO 0.73 -1.23 -0.10 0.54 -1.11 0.00 0.00 177.39 176.22 2b6m n ARG 148 N 2.01 1.78 0.00 1.96 1.74 -1.26 -5.04 116.66 117.85 2b6m n ARG 148 Ca 0.16 -3.90 0.00 0.00 -0.77 0.00 0.00 57.85 53.34 2b6m n ARG 148 Cb 0.22 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 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 0.09 3.79 3.14 -0.13 0.00 -1.26 -5.14 105.19 105.68 2b6m n GLY 149 Ca 0.27 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.04 0.72 0.52 1.61 -7.23 -1.26 -4.33 120.40 108.39 2b6m s VAL 150 Ca 0.00 -1.56 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 2b6m s VAL 150 Cb 0.00 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.64 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 -2.76 3.90 0.02 4.82 0.04 -1.26 -4.77 135.00 134.98 2b6m s PRO 151 Ca 0.03 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 2b6m s PRO 151 Cb -0.02 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2b6m s PRO 151 CO -0.02 -0.32 0.23 0.00 0.04 0.00 0.00 177.00 176.93 2b6m s ALA 152 N -2.56 -0.51 0.02 8.56 0.00 -0.28 -4.98 121.76 122.00 2b6m s ALA 152 Ca 0.60 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2b6m s ALA 152 Cb -0.11 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2b6m s ALA 152 CO 0.30 -0.30 -0.14 1.41 0.00 0.00 0.00 175.76 177.04 2b6m s MET 153 N -1.93 1.00 0.09 0.00 1.75 -1.26 0.14 119.30 119.08 2b6m s MET 153 Ca -0.10 -0.62 0.05 0.00 -1.25 0.00 0.00 55.69 53.77 2b6m s MET 153 Cb -0.04 -0.99 -0.03 0.00 2.84 0.00 0.00 34.83 36.61 2b6m s MET 153 CO -0.00 0.26 -0.14 -0.06 -0.65 0.00 0.00 175.02 174.43 2b6m s PHE 154 N -0.59 1.26 -0.04 4.11 0.40 0.42 -1.84 117.98 121.70 2b6m s PHE 154 Ca 0.03 -0.51 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 2b6m s PHE 154 Cb -0.07 -0.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.77 2b6m s PHE 154 CO 0.00 0.08 -0.22 0.08 0.70 0.00 0.00 175.22 175.86 2b6m s VAL 155 N -1.69 1.76 -0.65 -0.44 1.01 0.17 -1.00 120.40 119.56 2b6m s VAL 155 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2b6m s VAL 155 Cb -0.07 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2b6m s VAL 155 CO 0.02 0.50 0.00 0.59 0.00 0.00 0.00 175.10 176.21 2b6m n ASN 156 N 2.82 -1.75 -0.63 3.32 3.02 0.44 0.48 115.26 122.97 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 0.52 -1.85 -0.04 0.00 -0.61 0.00 0.00 39.78 37.81 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 0.90 0.00 7.41 0.00 -1.26 -4.80 105.19 107.26 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 2.82 -4.91 1.61 5.02 0.18 -0.90 118.16 120.58 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 -0.86 -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 -1.71 2.58 -0.29 2.13 2.02 -0.59 -1.49 117.35 120.00 2b6m s TYR 159 Ca 0.00 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2b6m s TYR 159 Cb 0.00 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 40.07 2b6m s TYR 159 CO 0.00 0.16 -0.03 -1.14 -1.57 0.00 0.00 175.55 172.96 2b6m s GLN 160 N -0.91 2.15 0.38 -0.62 0.74 -0.55 0.44 119.66 121.28 2b6m s GLN 160 Ca 0.12 -1.45 -0.25 0.00 0.05 0.00 0.00 55.36 53.83 2b6m s GLN 160 Cb -0.10 -3.07 -0.12 0.00 1.10 0.00 0.00 33.01 30.82 2b6m s GLN 160 CO 0.02 -0.68 0.89 1.28 -0.55 0.00 0.00 175.29 176.25 2b6m n LEU 161 N 4.46 1.67 -3.73 3.68 7.99 -0.76 -2.20 117.00 128.11 2b6m n LEU 161 Ca -0.10 1.05 -0.30 0.00 -0.01 0.00 0.00 56.01 56.65 2b6m n LEU 161 Cb 0.42 -1.27 -0.14 0.00 -0.11 0.00 0.00 43.42 42.33 2b6m n LEU 161 CO 0.23 -1.83 -0.27 0.21 -1.51 0.00 0.00 177.39 174.22 2b6m s ASN 162 N -0.75 3.79 0.16 -1.43 2.47 0.24 -4.69 114.94 114.72 2b6m s ASN 162 Ca 0.62 -2.35 -0.19 0.00 0.42 0.00 0.00 52.86 51.37 2b6m s ASN 162 Cb -0.62 -1.01 0.06 0.00 -1.45 0.00 0.00 41.25 38.23 2b6m s ASN 162 CO 0.58 -0.31 1.67 -0.65 -3.72 0.00 0.00 177.10 174.66 2b6m h PRO 163 N 7.12 -0.05 -0.29 0.43 0.11 -1.91 -1.96 132.00 135.45 2b6m h PRO 163 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2b6m h PRO 163 Cb 0.95 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2b6m h PRO 163 CO 0.48 -0.04 0.00 1.04 -0.21 0.00 0.00 178.00 179.27 2b6m n GLN 164 N -5.30 0.55 -0.02 1.05 6.02 -1.26 -0.79 117.38 117.63 2b6m n GLN 164 Ca 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2b6m n GLN 164 Cb 0.22 -1.15 0.02 0.00 1.02 0.00 0.00 30.24 30.35 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 0.14 2.54 3.74 1.08 0.00 -0.74 -5.03 105.19 106.93 2b6m n GLY 165 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.91 2.24 -0.38 1.61 -1.94 0.03 -4.01 119.30 115.94 2b6m s MET 166 Ca 0.03 -1.82 -0.28 0.00 -1.71 0.00 0.00 55.69 51.90 2b6m s MET 166 Cb 0.01 -2.00 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 2b6m s MET 166 CO 0.02 -0.11 1.78 0.34 -0.01 0.00 0.00 175.02 177.04 2b6m s ASP 167 N -3.91 5.82 -0.46 3.03 -1.08 -1.26 -4.89 116.67 113.92 2b6m s ASP 167 Ca 0.41 1.12 0.04 0.00 -0.52 0.00 0.00 52.55 53.60 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 0.23 -1.79 1.39 0.35 0.52 0.00 0.00 175.17 175.86 2b6m n THR 168 N 7.36 2.76 -1.05 1.71 -2.24 -1.26 -2.74 114.28 118.82 2b6m n THR 168 Ca 0.22 -4.28 0.05 0.00 -2.27 0.00 0.00 64.05 57.77 2b6m n THR 168 Cb 0.48 -1.20 0.27 0.00 -2.10 0.00 0.00 70.33 67.78 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 3.96 0.00 3.42 3.41 -1.26 -4.92 113.62 117.58 2b6m n SER 169 Ca 0.46 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 2b6m n SER 169 Cb 0.73 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.47 0.00 -0.36 4.04 4.05 -1.26 -5.03 115.26 116.24 2b6m n ASN 170 Ca 0.26 0.00 0.07 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 0.97 -0.45 1.20 2.86 -1.93 -1.26 114.93 116.31 2b6m h MET 171 Ca 0.00 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 2b6m h MET 171 Cb 0.00 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 2b6m h MET 171 CO 0.00 0.64 -0.26 -0.44 1.06 0.00 0.00 176.91 177.91 2b6m h ASP 172 N 1.00 1.00 -0.02 1.22 5.19 -1.97 -0.73 116.42 122.11 2b6m h ASP 172 Ca 0.49 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 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 1.19 0.01 0.58 -3.12 0.00 0.00 179.24 177.64 2b6m h VAL 173 N 0.82 1.02 0.37 -1.35 2.07 -1.76 -0.40 116.25 117.02 2b6m h VAL 173 Ca 0.10 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2b6m h VAL 173 Cb 0.84 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2b6m h VAL 173 CO 0.07 0.01 -0.41 0.15 0.02 0.00 0.00 177.57 177.42 2b6m h PHE 174 N 0.01 -1.13 0.00 1.57 3.57 -1.05 -1.32 116.94 118.59 2b6m h PHE 174 Ca 0.01 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2b6m h PHE 174 Cb 0.01 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2b6m h PHE 174 CO -0.07 -0.56 -0.32 0.28 -2.23 0.00 0.00 178.31 175.41 2b6m h VAL 175 N -0.81 1.20 -0.07 1.41 2.07 -1.10 -0.70 116.25 118.26 2b6m h VAL 175 Ca -0.03 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2b6m h VAL 175 Cb 0.73 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2b6m h VAL 175 CO -0.09 0.31 -0.07 -0.61 0.02 0.00 0.00 177.57 177.13 2b6m h GLN 176 N 0.00 0.16 0.21 1.57 5.75 -0.92 -0.84 115.11 121.05 2b6m h GLN 176 Ca -0.00 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 2b6m h GLN 176 Cb 0.57 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 2b6m h GLN 176 CO 0.04 0.61 -0.13 1.96 -2.65 0.00 0.00 178.83 178.66 2b6m h GLN 177 N -0.28 -0.32 -0.83 1.69 4.20 -1.05 -0.02 115.11 118.50 2b6m h GLN 177 Ca 0.01 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.88 2b6m h GLN 177 Cb 0.58 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.34 2b6m h GLN 177 CO 0.02 -0.21 0.42 -0.92 -0.67 0.00 0.00 178.83 177.47 2b6m h TYR 178 N -0.33 0.74 -0.31 2.96 5.03 -1.12 0.56 116.97 124.50 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 0.28 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 2b6m h TYR 178 CO -0.09 0.19 -0.09 0.00 -1.32 0.00 0.00 178.16 176.85 2b6m h ALA 179 N 1.54 0.43 0.00 1.82 0.00 -0.80 -2.54 119.26 119.70 2b6m h ALA 179 Ca 0.44 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2b6m h ALA 179 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2b6m h ALA 179 CO -0.35 0.27 -0.26 -0.44 0.00 0.00 0.00 179.25 178.48 2b6m h ASP 180 N 0.38 0.00 -0.20 0.00 3.32 0.71 -1.78 116.42 118.85 2b6m h ASP 180 Ca 0.08 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 2b6m h ASP 180 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 2b6m h ASP 180 CO 0.03 0.26 -0.14 0.74 -1.72 0.00 0.00 179.24 178.41 2b6m h THR 181 N 0.00 1.32 -0.66 0.35 2.02 0.21 -1.88 112.91 114.27 2b6m h THR 181 Ca -0.00 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 65.89 2b6m h THR 181 Cb 0.56 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 2b6m h THR 181 CO 0.03 0.38 0.26 0.58 0.37 0.00 0.00 175.52 177.15 2b6m h VAL 182 N 0.13 1.23 0.12 3.16 2.07 -1.08 0.27 116.25 122.16 2b6m h VAL 182 Ca 0.04 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2b6m h VAL 182 Cb 0.66 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2b6m h VAL 182 CO 0.04 0.29 -0.06 0.50 0.02 0.00 0.00 177.57 178.36 2b6m h LYS 183 N 0.95 -0.16 0.31 1.57 3.64 -1.29 -1.44 116.57 120.15 2b6m h LYS 183 Ca 0.22 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2b6m h LYS 183 Cb 0.18 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2b6m h LYS 183 CO -0.02 0.07 -0.18 -0.92 -2.27 0.00 0.00 179.45 176.12 2b6m h TYR 184 N -0.37 -0.49 0.00 1.91 3.20 -1.08 -1.42 116.97 118.72 2b6m h TYR 184 Ca -0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2b6m h TYR 184 Cb 0.30 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2b6m h TYR 184 CO -0.01 -0.28 0.53 1.25 -1.64 0.00 0.00 178.16 178.01 2b6m h LEU 185 N -0.46 0.00 -0.55 2.82 5.85 -0.54 1.16 115.31 123.59 2b6m h LEU 185 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2b6m h LEU 185 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2b6m h LEU 185 CO 0.05 0.00 0.00 -0.24 -0.34 0.00 0.00 178.44 177.91 2b6m n SER 186 N -2.01 0.86 -0.12 1.25 2.88 -0.54 -4.16 113.62 111.79 2b6m n SER 186 Ca -0.01 -1.29 -0.26 0.00 -1.33 0.00 0.00 58.87 55.99 2b6m n SER 186 Cb 0.54 -0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.32 0.52 0.00 -1.46 4.71 0.40 -5.05 120.64 119.43 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