#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdk n SER 19 N 0.00 0.47 -2.72 1.61 2.88 -1.26 -4.81 113.62 109.80 3bdk n SER 19 Ca 0.00 0.80 -0.04 0.00 -1.33 0.00 0.00 58.87 58.30 3bdk n SER 19 Cb 0.00 -1.35 0.03 0.00 -0.75 0.00 0.00 64.21 62.14 3bdk n SER 19 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3bdk n HIS 20 N -1.67 -2.38 -3.46 0.66 -0.00 -0.04 -4.95 115.22 103.38 3bdk n HIS 20 Ca 0.13 -1.08 -0.43 0.00 -0.00 0.00 0.00 57.72 56.34 3bdk n HIS 20 Cb 0.47 1.32 -0.10 0.00 -0.00 0.00 0.00 29.99 31.68 3bdk n HIS 20 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 3bdk s MET 21 N 0.84 3.00 -0.25 1.57 -2.45 -1.25 -1.34 119.30 119.41 3bdk s MET 21 Ca 0.27 -1.00 -0.27 0.00 -1.25 0.00 0.00 55.69 53.45 3bdk s MET 21 Cb 0.09 -3.97 0.01 0.00 1.25 0.00 0.00 34.83 32.20 3bdk s MET 21 CO -0.09 -0.74 0.95 0.15 1.05 0.00 0.00 175.02 176.34 3bdk s LYS 22 N 1.69 4.19 0.32 4.11 1.02 0.29 -4.96 119.74 126.40 3bdk s LYS 22 Ca 0.05 1.12 -0.29 0.00 0.02 0.00 0.00 55.97 56.87 3bdk s LYS 22 Cb -0.19 -3.66 -0.12 0.00 -0.52 0.00 0.00 37.83 33.34 3bdk s LYS 22 CO 0.10 -0.63 1.47 -0.12 -0.92 0.00 0.00 175.35 175.25 3bdk n MET 23 N 6.27 2.47 -4.23 1.68 0.00 -1.26 -2.01 117.12 120.04 3bdk n MET 23 Ca 0.09 0.87 -0.13 0.00 -0.00 0.00 0.00 57.70 58.54 3bdk n MET 23 Cb 0.47 -2.58 -0.10 0.00 0.00 0.00 0.00 33.22 31.01 3bdk n MET 23 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 3bdk s SER 24 N 0.10 0.88 -0.03 6.12 0.01 0.53 -0.46 113.70 120.85 3bdk s SER 24 Ca 0.59 -1.24 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 3bdk s SER 24 Cb -0.53 0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.91 3bdk s SER 24 CO 0.56 -0.67 0.12 0.12 0.41 0.00 0.00 173.24 173.78 3bdk s PHE 25 N -3.82 -0.08 0.12 2.43 2.19 -0.71 -4.22 117.98 113.89 3bdk s PHE 25 Ca 0.28 0.19 -0.25 0.00 0.33 0.00 0.00 56.93 57.48 3bdk s PHE 25 Cb 0.07 0.01 -0.07 0.00 -1.31 0.00 0.00 43.02 41.72 3bdk s PHE 25 CO 0.06 -0.12 0.75 0.50 1.83 0.00 0.00 175.22 178.25 3bdk s ARG 26 N -0.31 4.51 -0.08 10.12 3.52 -1.26 -0.50 118.95 134.95 3bdk s ARG 26 Ca -0.04 1.09 -0.03 0.00 -0.13 0.00 0.00 55.73 56.62 3bdk s ARG 26 Cb -0.03 -3.29 0.04 0.00 -1.56 0.00 0.00 34.95 30.12 3bdk s ARG 26 CO 0.00 0.50 0.16 -0.46 -0.81 0.00 0.00 175.30 174.70 3bdk s TRP 27 N -0.84 -0.19 -1.34 5.12 -0.00 -0.33 -4.91 118.94 116.45 3bdk s TRP 27 Ca 0.36 0.59 0.12 0.00 -0.00 0.00 0.00 56.10 57.17 3bdk s TRP 27 Cb -0.22 -0.16 0.48 0.00 -0.00 0.00 0.00 33.47 33.57 3bdk s TRP 27 CO 0.25 -0.23 1.34 0.66 -0.00 0.00 0.00 176.95 178.97 3bdk n TYR 28 N 4.80 0.97 -3.19 5.86 4.02 -1.26 -4.30 117.16 124.06 3bdk n TYR 28 Ca -0.15 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 3bdk n TYR 28 Cb 0.51 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 3bdk n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bdk n GLY 29 N 0.89 -1.88 0.31 2.72 0.00 -1.26 -4.42 105.19 101.55 3bdk n GLY 29 Ca 0.17 -1.52 0.20 0.00 0.00 0.00 0.00 46.02 44.87 3bdk n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bdk n LYS 30 N 0.00 -0.07 -0.16 1.61 5.02 -1.26 0.46 118.16 123.76 3bdk n LYS 30 Ca 0.00 1.34 0.02 0.00 -2.02 0.00 0.00 58.31 57.64 3bdk n LYS 30 Cb 0.00 -2.23 0.08 0.00 -0.02 0.00 0.00 35.03 32.86 3bdk n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bdk n LYS 31 N -5.24 1.70 -2.90 1.97 5.02 -1.26 -4.85 118.16 112.60 3bdk n LYS 31 Ca 0.27 -0.65 -0.41 0.00 -2.02 0.00 0.00 58.31 55.50 3bdk n LYS 31 Cb 0.91 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.38 3bdk n LYS 31 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bdk s ASP 32 N -0.42 7.14 0.16 4.39 -1.08 0.17 -4.96 116.67 122.08 3bdk s ASP 32 Ca 0.11 1.38 -0.27 0.00 -0.52 0.00 0.00 52.55 53.26 3bdk s ASP 32 Cb 0.08 -2.48 0.01 0.00 -1.46 0.00 0.00 42.92 39.07 3bdk s ASP 32 CO 0.05 -0.20 1.57 -0.65 0.52 0.00 0.00 175.17 176.46 3bdk h PRO 33 N 6.81 -0.27 -6.63 4.34 0.11 -1.89 -3.40 132.00 131.09 3bdk h PRO 33 Ca -0.40 0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.20 3bdk h PRO 33 Cb 1.20 0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.39 3bdk h PRO 33 CO 0.76 -0.18 0.57 0.54 -0.21 0.00 0.00 178.00 179.48 3bdk s VAL 34 N -5.82 3.63 0.55 3.15 0.11 -1.26 -5.05 120.40 115.71 3bdk s VAL 34 Ca -0.14 1.32 0.08 0.00 -2.93 0.00 0.00 61.98 60.31 3bdk s VAL 34 Cb 0.12 -3.85 0.07 0.00 -1.53 0.00 0.00 36.38 31.20 3bdk s VAL 34 CO 0.65 0.19 0.76 0.42 -3.33 0.00 0.00 175.10 173.79 3bdk s THR 35 N 0.19 2.36 0.13 5.04 -4.23 -1.26 -4.90 115.64 112.97 3bdk s THR 35 Ca 0.54 -0.95 -0.06 0.00 -1.18 0.00 0.00 61.69 60.05 3bdk s THR 35 Cb -0.32 -2.41 -0.16 0.00 1.34 0.00 0.00 72.50 70.94 3bdk s THR 35 CO 0.35 0.00 1.33 -0.07 -0.54 0.00 0.00 174.62 175.69 3bdk h LEU 36 N 0.21 0.62 -0.32 4.79 3.38 -1.96 -2.57 115.31 119.46 3bdk h LEU 36 Ca -0.33 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.25 3bdk h LEU 36 Cb 1.28 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 3bdk h LEU 36 CO 0.42 1.24 -0.29 -0.33 0.09 0.00 0.00 178.44 179.57 3bdk h GLU 37 N 0.30 -0.25 -0.30 1.13 5.08 -1.97 0.15 114.58 118.73 3bdk h GLU 37 Ca -0.07 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3bdk h GLU 37 Cb 1.49 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 3bdk h GLU 37 CO 0.16 -0.17 0.14 0.93 -1.00 0.00 0.00 179.01 179.07 3bdk h GLU 38 N -0.26 0.43 -0.26 2.33 5.08 -1.95 -2.18 114.58 117.76 3bdk h GLU 38 Ca 0.16 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3bdk h GLU 38 Cb 0.51 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3bdk h GLU 38 CO -0.47 0.41 0.07 0.82 -1.00 0.00 0.00 179.01 178.84 3bdk h ILE 39 N 0.34 0.90 -0.52 3.13 2.04 -1.21 -2.31 117.51 119.89 3bdk h ILE 39 Ca 0.10 -0.06 0.15 0.00 1.00 0.00 0.00 64.86 66.05 3bdk h ILE 39 Cb 0.12 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3bdk h ILE 39 CO -0.01 0.03 0.39 0.50 0.00 0.00 0.00 178.15 179.06 3bdk h LYS 40 N 0.18 0.00 0.00 2.37 1.63 -0.12 -1.29 116.57 119.33 3bdk h LYS 40 Ca 0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3bdk h LYS 40 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 3bdk h LYS 40 CO -0.14 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 175.86 3bdk n ALA 41 N -2.61 2.15 -2.23 5.00 0.00 -0.87 -4.73 120.51 117.21 3bdk n ALA 41 Ca 0.10 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 3bdk n ALA 41 Cb 0.61 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 3bdk n ALA 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3bdk s ILE 42 N -3.03 3.92 0.23 0.00 1.01 -0.49 -4.93 121.20 117.91 3bdk s ILE 42 Ca 0.12 1.15 -0.32 0.00 0.00 0.00 0.00 60.65 61.59 3bdk s ILE 42 Cb 0.16 -3.74 -0.13 0.00 0.01 0.00 0.00 42.46 38.76 3bdk s ILE 42 CO 0.47 -0.08 1.61 -2.65 0.00 0.00 0.00 174.94 174.28 3bdk n PRO 43 N 6.61 2.51 -0.95 2.79 -0.02 -1.26 -1.84 135.00 142.83 3bdk n PRO 43 Ca 0.15 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3bdk n PRO 43 Cb 0.44 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3bdk n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdk n GLY 44 N 3.03 0.90 3.71 -1.23 0.00 -1.26 -4.79 105.19 105.54 3bdk n GLY 44 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3bdk n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3bdk s MET 45 N -0.05 4.48 0.00 1.61 0.00 -0.77 -4.36 119.30 120.22 3bdk s MET 45 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 55.69 57.35 3bdk s MET 45 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 34.83 31.46 3bdk s MET 45 CO 0.00 -0.17 0.00 1.04 0.00 0.00 0.00 175.02 175.89 3bdk n GLN 46 N 3.79 2.07 -4.36 4.11 6.02 -0.45 -4.99 117.38 123.57 3bdk n GLN 46 Ca 0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.78 3bdk n GLN 46 Cb 0.48 -0.90 -0.12 0.00 1.02 0.00 0.00 30.24 30.72 3bdk n GLN 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3bdk s GLY 47 N -3.02 1.64 -0.09 1.08 0.00 0.40 -3.18 107.32 104.15 3bdk s GLY 47 Ca 0.00 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.28 3bdk s GLY 47 CO 0.00 -1.45 -0.13 -0.42 0.00 0.00 0.00 173.10 171.10 3bdk s ILE 48 N -1.21 3.10 -0.23 0.90 -1.09 0.29 -1.75 121.20 121.20 3bdk s ILE 48 Ca 0.17 -0.68 -0.04 0.00 -2.23 0.00 0.00 60.65 57.88 3bdk s ILE 48 Cb -0.10 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 3bdk s ILE 48 CO 0.08 0.56 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.63 3bdk s VAL 49 N -0.16 3.33 0.16 2.92 1.01 0.34 -1.71 120.40 126.30 3bdk s VAL 49 Ca -0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3bdk s VAL 49 Cb -0.13 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.68 3bdk s VAL 49 CO 0.03 0.34 0.25 1.07 0.00 0.00 0.00 175.10 176.79 3bdk n THR 50 N 4.78 0.00 -3.84 3.92 5.66 -0.95 -1.18 114.28 122.67 3bdk n THR 50 Ca -0.17 -0.74 -0.08 0.00 -3.05 0.00 0.00 64.05 60.00 3bdk n THR 50 Cb 0.50 0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 69.73 3bdk n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bdk s ALA 51 N -2.00 -0.94 -0.16 1.79 0.00 -1.26 -0.87 121.76 118.31 3bdk s ALA 51 Ca 0.12 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.48 3bdk s ALA 51 Cb -0.01 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 3bdk s ALA 51 CO 0.09 -0.93 0.66 0.08 0.00 0.00 0.00 175.76 175.65 3bdk s VAL 52 N -3.92 5.02 -1.13 0.00 1.01 -1.26 -4.88 120.40 115.24 3bdk s VAL 52 Ca 0.13 1.27 0.12 0.00 0.00 0.00 0.00 61.98 63.51 3bdk s VAL 52 Cb -0.03 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3bdk s VAL 52 CO 0.04 0.15 0.72 -1.22 0.00 0.00 0.00 175.10 174.79 3bdk n TYR 53 N 4.68 0.00 1.52 5.22 4.01 -1.26 -4.59 117.16 126.74 3bdk n TYR 53 Ca -0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 3bdk n TYR 53 Cb 0.50 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.94 3bdk n TYR 53 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3bdk n ASP 54 N -0.22 0.99 -4.21 7.72 5.68 -1.26 -4.83 116.55 120.42 3bdk n ASP 54 Ca 0.05 -1.64 -0.29 0.00 -0.50 0.00 0.00 54.79 52.41 3bdk n ASP 54 Cb 0.26 -0.07 -0.16 0.00 -1.14 0.00 0.00 41.12 40.01 3bdk n ASP 54 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3bdk s VAL 55 N -1.86 1.79 0.71 2.12 1.01 -1.26 -5.13 120.40 117.77 3bdk s VAL 55 Ca 0.28 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 3bdk s VAL 55 Cb 0.15 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 35.03 3bdk s VAL 55 CO 0.23 0.50 1.12 -2.84 0.00 0.00 0.00 175.10 174.10 3bdk s PRO 56 N -0.06 2.49 0.12 2.72 0.02 -1.26 -4.94 135.00 134.09 3bdk s PRO 56 Ca -0.04 1.37 -0.35 0.00 0.02 0.00 0.00 61.00 62.00 3bdk s PRO 56 Cb -0.13 -1.91 -0.14 0.00 0.02 0.00 0.00 34.50 32.33 3bdk s PRO 56 CO 0.03 -1.49 1.54 0.28 -0.33 0.00 0.00 177.00 177.03 3bdk n VAL 57 N -2.86 0.03 -1.00 3.83 0.31 -1.26 -2.28 118.33 115.11 3bdk n VAL 57 Ca 0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3bdk n VAL 57 Cb 0.52 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 3bdk n VAL 57 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bdk n GLY 58 N 3.26 0.44 0.00 2.92 0.00 -1.26 -4.87 105.19 105.68 3bdk n GLY 58 Ca 0.18 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.68 3bdk n GLY 58 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3bdk n GLN 59 N -3.00 1.12 -0.05 1.61 7.27 -0.96 -4.69 117.38 118.68 3bdk n GLN 59 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3bdk n GLN 59 Cb 0.00 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 31.42 3bdk n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3bdk n ALA 60 N -1.75 -0.29 -2.67 1.69 0.00 -1.26 -4.96 120.51 111.27 3bdk n ALA 60 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 3bdk n ALA 60 Cb 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 3bdk n ALA 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3bdk s TRP 61 N 0.00 3.42 0.76 0.00 0.52 -1.26 -4.96 118.94 117.43 3bdk s TRP 61 Ca 0.00 1.20 -0.11 0.00 0.02 0.00 0.00 56.10 57.21 3bdk s TRP 61 Cb 0.00 -2.96 0.05 0.00 -1.15 0.00 0.00 33.47 29.41 3bdk s TRP 61 CO 0.00 -0.20 1.08 -2.14 0.02 0.00 0.00 176.95 175.71 3bdk s PRO 62 N 2.00 2.34 0.09 4.98 0.02 -1.26 -4.45 135.00 138.72 3bdk s PRO 62 Ca 0.37 1.07 -0.18 0.00 0.02 0.00 0.00 61.00 62.27 3bdk s PRO 62 Cb -0.17 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 3bdk s PRO 62 CO 0.13 -1.56 1.55 1.25 -0.33 0.00 0.00 177.00 178.03 3bdk h LEU 63 N -1.06 0.43 -0.81 -5.54 5.85 -1.97 -3.22 115.31 108.99 3bdk h LEU 63 Ca -0.44 -0.28 0.12 0.00 0.84 0.00 0.00 57.88 58.12 3bdk h LEU 63 Cb 1.23 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 3bdk h LEU 63 CO 0.53 0.60 0.42 -0.33 -0.34 0.00 0.00 178.44 179.32 3bdk h GLU 64 N 0.24 0.64 0.29 1.25 4.39 -1.97 0.25 114.58 119.66 3bdk h GLU 64 Ca 0.08 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3bdk h GLU 64 Cb 0.37 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 3bdk h GLU 64 CO 0.01 0.42 -0.50 -0.91 -1.16 0.00 0.00 179.01 176.87 3bdk h ASN 65 N 0.66 -1.46 -0.71 1.42 4.21 -1.96 0.20 115.58 117.94 3bdk h ASN 65 Ca 0.42 0.14 0.14 0.00 1.21 0.00 0.00 56.30 58.20 3bdk h ASN 65 Cb 0.50 0.51 -0.10 0.00 -1.12 0.00 0.00 38.32 38.12 3bdk h ASN 65 CO -0.31 -0.59 0.24 0.40 -1.29 0.00 0.00 177.43 175.87 3bdk h ILE 66 N -0.85 0.63 -0.19 2.81 1.08 -1.40 -1.69 117.51 117.90 3bdk h ILE 66 Ca -0.03 -0.13 -0.07 0.00 -0.39 0.00 0.00 64.86 64.25 3bdk h ILE 66 Cb 0.79 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 3bdk h ILE 66 CO -0.18 0.07 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.10 3bdk h LEU 67 N 0.37 0.31 -0.44 1.44 3.38 0.09 -2.13 115.31 118.32 3bdk h LEU 67 Ca 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3bdk h LEU 67 Cb 0.60 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3bdk h LEU 67 CO -0.42 0.51 0.27 -0.33 0.09 0.00 0.00 178.44 178.56 3bdk h GLU 68 N 0.30 0.58 -0.35 1.13 5.08 0.33 -1.94 114.58 119.72 3bdk h GLU 68 Ca 0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3bdk h GLU 68 Cb 0.49 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3bdk h GLU 68 CO 0.03 0.41 0.19 -0.07 -1.00 0.00 0.00 179.01 178.57 3bdk h LEU 69 N 0.58 0.43 -1.56 1.33 3.38 -1.33 -2.75 115.31 115.40 3bdk h LEU 69 Ca 0.16 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3bdk h LEU 69 Cb -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3bdk h LEU 69 CO -0.03 0.40 0.23 0.50 0.09 0.00 0.00 178.44 179.63 3bdk h LYS 70 N 0.43 0.52 -0.12 1.13 3.64 -1.06 -1.41 116.57 119.71 3bdk h LYS 70 Ca 0.12 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 3bdk h LYS 70 Cb 0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3bdk h LYS 70 CO -0.02 0.37 -0.45 -0.22 -2.27 0.00 0.00 179.45 176.87 3bdk h LYS 71 N 0.54 0.52 -0.10 1.90 3.64 -1.18 -0.79 116.57 121.09 3bdk h LYS 71 Ca 0.14 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3bdk h LYS 71 Cb -0.02 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3bdk h LYS 71 CO -0.03 1.02 -0.04 0.52 -2.27 0.00 0.00 179.45 178.65 3bdk h MET 72 N 0.12 -0.02 -0.79 1.90 2.86 -1.18 -2.35 114.93 115.47 3bdk h MET 72 Ca -0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 3bdk h MET 72 Cb 1.08 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 3bdk h MET 72 CO 0.09 -0.01 0.30 0.28 1.06 0.00 0.00 176.91 178.63 3bdk h VAL 73 N -0.02 1.26 0.00 -2.22 2.07 -1.26 -2.69 116.25 113.39 3bdk h VAL 73 Ca 0.05 -0.85 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 3bdk h VAL 73 Cb 0.10 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3bdk h VAL 73 CO -0.12 0.35 -0.50 -0.33 0.02 0.00 0.00 177.57 176.99 3bdk h GLU 74 N 1.16 0.00 0.03 1.57 5.08 -0.99 -1.81 114.58 119.62 3bdk h GLU 74 Ca 0.26 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 3bdk h GLU 74 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3bdk h GLU 74 CO -0.02 0.50 -1.02 0.93 -1.00 0.00 0.00 179.01 178.40 3bdk h GLU 75 N 0.00 0.09 0.00 2.33 5.08 -1.32 -2.41 114.58 118.35 3bdk h GLU 75 Ca -0.01 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3bdk h GLU 75 Cb 1.13 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3bdk h GLU 75 CO 0.07 1.03 0.00 0.00 -1.00 0.00 0.00 179.01 179.10 3bdk n ALA 76 N -2.41 1.95 -1.56 3.43 0.00 -1.02 -4.89 120.51 116.00 3bdk n ALA 76 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3bdk n ALA 76 Cb 0.93 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3bdk n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdk n GLY 77 N 0.10 0.74 2.21 0.00 0.00 -0.91 -4.91 105.19 102.43 3bdk n GLY 77 Ca 0.09 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 3bdk n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bdk n LEU 78 N -0.01 0.00 -3.85 0.99 4.77 -0.69 -5.03 117.00 113.18 3bdk n LEU 78 Ca 0.00 -2.07 -0.12 0.00 -0.03 0.00 0.00 56.01 53.80 3bdk n LEU 78 Cb 0.39 0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 42.09 3bdk n LEU 78 CO 0.00 -0.32 -0.15 -1.83 -1.33 0.00 0.00 177.39 173.76 3bdk s GLU 79 N -3.02 0.46 -0.35 3.23 -1.05 -1.19 -3.69 118.70 113.10 3bdk s GLU 79 Ca 0.15 -0.29 -0.26 0.00 -0.15 0.00 0.00 54.97 54.42 3bdk s GLU 79 Cb 0.01 0.20 0.01 0.00 -0.44 0.00 0.00 34.13 33.90 3bdk s GLU 79 CO 0.10 -0.11 0.92 0.42 0.95 0.00 0.00 175.26 177.54 3bdk s ILE 80 N -1.17 4.62 -0.27 1.83 1.01 -1.26 0.10 121.20 126.06 3bdk s ILE 80 Ca -0.13 1.28 0.16 0.00 0.00 0.00 0.00 60.65 61.97 3bdk s ILE 80 Cb -0.07 -4.31 -0.23 0.00 0.01 0.00 0.00 42.46 37.87 3bdk s ILE 80 CO 0.02 -0.46 0.47 0.35 0.00 0.00 0.00 174.94 175.31 3bdk n THR 81 N 5.86 0.00 -3.70 2.92 -2.24 -0.69 -4.69 114.28 111.74 3bdk n THR 81 Ca 0.07 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 3bdk n THR 81 Cb 0.48 0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 3bdk n THR 81 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3bdk s VAL 82 N -2.93 -0.10 -0.34 2.28 1.01 -1.23 -3.66 120.40 115.43 3bdk s VAL 82 Ca -0.02 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 3bdk s VAL 82 Cb 0.11 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.94 3bdk s VAL 82 CO 0.68 0.05 1.03 -0.63 0.00 0.00 0.00 175.10 176.22 3bdk s ILE 83 N 1.52 4.52 -0.94 2.22 -1.09 -0.71 -2.23 121.20 124.49 3bdk s ILE 83 Ca -0.08 1.52 -0.09 0.00 -2.23 0.00 0.00 60.65 59.76 3bdk s ILE 83 Cb -0.09 -4.40 0.24 0.00 -1.58 0.00 0.00 42.46 36.63 3bdk s ILE 83 CO -0.12 -0.53 0.89 -0.70 -1.23 0.00 0.00 174.94 173.26 3bdk s GLU 84 N 3.64 3.74 0.00 2.79 2.12 -0.05 -0.90 118.70 130.03 3bdk s GLU 84 Ca 0.43 -2.90 0.00 0.00 0.36 0.00 0.00 54.97 52.86 3bdk s GLU 84 Cb -0.12 -4.37 0.00 0.00 0.26 0.00 0.00 34.13 29.91 3bdk s GLU 84 CO 0.17 -1.26 0.00 0.43 -0.54 0.00 0.00 175.26 174.07 3bdk n SER 85 N 3.17 0.00 -4.51 -1.70 7.64 -0.92 -4.46 113.62 112.85 3bdk n SER 85 Ca 0.19 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.64 3bdk n SER 85 Cb 0.42 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 3bdk n SER 85 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3bdk s ILE 86 N 0.00 4.36 0.64 0.44 1.01 -1.21 -4.75 121.20 121.70 3bdk s ILE 86 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 3bdk s ILE 86 Cb 0.00 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 37.88 3bdk s ILE 86 CO 0.00 -1.21 1.27 -2.16 0.00 0.00 0.00 174.94 172.84 3bdk s PRO 87 N 4.00 2.60 -0.24 2.79 0.04 -1.26 -4.78 135.00 138.15 3bdk s PRO 87 Ca 0.28 1.99 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 3bdk s PRO 87 Cb -0.14 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3bdk s PRO 87 CO 0.17 -1.54 0.09 0.08 0.04 0.00 0.00 177.00 175.84 3bdk s VAL 88 N -1.49 4.65 0.34 -0.36 1.01 -1.26 -4.44 120.40 118.86 3bdk s VAL 88 Ca 0.81 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3bdk s VAL 88 Cb -0.35 -3.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 3bdk s VAL 88 CO 0.39 0.35 1.41 -2.28 0.00 0.00 0.00 175.10 174.97 3bdk s HIS 89 N 1.33 2.83 0.53 5.22 2.46 -1.26 -4.87 115.29 121.53 3bdk s HIS 89 Ca 0.06 1.24 0.22 0.00 0.47 0.00 0.00 55.06 57.04 3bdk s HIS 89 Cb -0.15 -3.86 1.39 0.00 -0.13 0.00 0.00 32.58 29.82 3bdk s HIS 89 CO 0.05 -2.53 2.08 0.93 -2.47 0.00 0.00 174.74 172.80 3bdk h GLU 90 N 3.46 0.00 -0.40 2.88 4.39 -1.97 -0.98 114.58 121.96 3bdk h GLU 90 Ca -0.49 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.23 3bdk h GLU 90 Cb 1.23 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 3bdk h GLU 90 CO 0.67 0.00 0.23 -0.44 -1.16 0.00 0.00 179.01 178.31 3bdk h ASP 91 N 0.00 0.37 -0.02 1.42 3.32 -1.96 0.32 116.42 119.86 3bdk h ASP 91 Ca 0.11 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.19 3bdk h ASP 91 Cb 0.47 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3bdk h ASP 91 CO -0.00 0.27 -0.10 0.40 -1.72 0.00 0.00 179.24 178.08 3bdk h ILE 92 N 0.47 0.74 -0.32 0.35 2.04 -1.51 0.22 117.51 119.50 3bdk h ILE 92 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3bdk h ILE 92 Cb 0.02 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3bdk h ILE 92 CO -0.08 0.00 0.20 0.11 0.00 0.00 0.00 178.15 178.38 3bdk h LYS 93 N -0.16 0.39 -0.43 2.37 1.57 -1.05 -1.56 116.57 117.70 3bdk h LYS 93 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3bdk h LYS 93 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3bdk h LYS 93 CO -0.12 0.26 0.27 1.96 -0.57 0.00 0.00 179.45 181.25 3bdk h GLN 94 N 0.41 0.57 0.00 3.15 4.20 -0.23 -3.45 115.11 119.74 3bdk h GLN 94 Ca 0.12 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3bdk h GLN 94 Cb -0.02 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3bdk h GLN 94 CO -0.05 0.39 0.00 0.41 -0.67 0.00 0.00 178.83 178.91 3bdk n GLY 95 N -1.44 0.79 3.77 3.46 0.00 0.71 -5.00 105.19 107.48 3bdk n GLY 95 Ca 0.03 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3bdk n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdk s LYS 96 N -2.82 3.52 0.23 1.61 1.02 -0.77 -4.94 119.74 117.58 3bdk s LYS 96 Ca 0.00 1.72 0.12 0.00 0.02 0.00 0.00 55.97 57.84 3bdk s LYS 96 Cb 0.00 -2.20 0.82 0.00 -0.52 0.00 0.00 37.83 35.93 3bdk s LYS 96 CO 0.00 -0.74 0.97 -2.30 -0.92 0.00 0.00 175.35 172.36 3bdk n PRO 97 N -0.92 -0.04 0.00 -1.68 -0.01 -1.26 -1.43 135.00 129.66 3bdk n PRO 97 Ca 0.10 0.85 0.12 0.00 -0.01 0.00 0.00 63.50 64.56 3bdk n PRO 97 Cb 0.49 -1.53 0.32 0.00 -0.01 0.00 0.00 33.50 32.78 3bdk n PRO 97 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 3bdk n ASN 98 N -4.41 0.40 -0.20 2.55 0.23 -1.26 -4.39 115.26 108.18 3bdk n ASN 98 Ca 0.23 -0.09 0.03 0.00 -0.53 0.00 0.00 54.58 54.22 3bdk n ASN 98 Cb 0.78 0.10 0.07 0.00 -2.08 0.00 0.00 39.78 38.65 3bdk n ASN 98 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3bdk n ARG 99 N -1.51 -0.06 -0.32 -3.83 1.85 -0.52 -0.97 116.66 111.30 3bdk n ARG 99 Ca 0.06 0.86 0.22 0.00 -1.00 0.00 0.00 57.85 57.98 3bdk n ARG 99 Cb 0.34 -1.28 0.41 0.00 -1.05 0.00 0.00 32.46 30.88 3bdk n ARG 99 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3bdk n ASP 100 N -4.89 0.09 -0.08 2.89 9.92 -1.26 -0.23 116.55 122.99 3bdk n ASP 100 Ca 0.08 1.62 -0.13 0.00 -0.53 0.00 0.00 54.79 55.84 3bdk n ASP 100 Cb 0.27 -0.68 -0.05 0.00 -0.64 0.00 0.00 41.12 40.02 3bdk n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bdk h ALA 101 N 1.93 0.33 -0.84 2.24 0.00 -1.41 -0.81 119.26 120.70 3bdk h ALA 101 Ca 0.69 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3bdk h ALA 101 Cb 1.63 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 3bdk h ALA 101 CO -0.83 0.23 0.38 -0.07 0.00 0.00 0.00 179.25 178.96 3bdk h LEU 102 N 0.22 1.11 -0.79 0.00 3.38 -0.70 -2.31 115.31 116.22 3bdk h LEU 102 Ca 0.05 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3bdk h LEU 102 Cb 0.69 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3bdk h LEU 102 CO 0.04 0.95 0.17 0.40 0.09 0.00 0.00 178.44 180.09 3bdk h ILE 103 N 1.20 1.26 -0.10 1.22 2.04 -0.81 -0.39 117.51 121.92 3bdk h ILE 103 Ca 0.28 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3bdk h ILE 103 Cb 0.15 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3bdk h ILE 103 CO -0.03 0.36 -0.07 -0.33 0.00 0.00 0.00 178.15 178.07 3bdk h GLU 104 N 1.03 0.15 -0.29 2.37 4.39 -0.75 0.26 114.58 121.74 3bdk h GLU 104 Ca 0.22 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 3bdk h GLU 104 Cb 0.35 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3bdk h GLU 104 CO 0.00 0.24 -0.47 -0.91 -1.16 0.00 0.00 179.01 176.71 3bdk h ASN 105 N 0.15 0.91 -0.37 1.42 -0.26 -0.88 -1.81 115.58 114.73 3bdk h ASN 105 Ca 0.03 -0.52 0.01 0.00 -0.56 0.00 0.00 56.30 55.26 3bdk h ASN 105 Cb 0.23 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 3bdk h ASN 105 CO 0.01 1.25 0.24 0.22 -1.06 0.00 0.00 177.43 178.09 3bdk h TYR 106 N 0.59 0.45 -0.87 1.19 5.03 0.04 -0.37 116.97 123.02 3bdk h TYR 106 Ca 0.02 0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.49 3bdk h TYR 106 Cb 1.07 -0.15 -0.07 0.00 1.55 0.00 0.00 36.73 39.13 3bdk h TYR 106 CO 0.08 0.28 0.56 0.87 -1.32 0.00 0.00 178.16 178.63 3bdk h LYS 107 N 0.48 0.64 -0.07 1.82 1.57 -0.38 -0.61 116.57 120.02 3bdk h LYS 107 Ca 0.14 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3bdk h LYS 107 Cb -0.04 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3bdk h LYS 107 CO -0.04 0.42 -0.07 1.15 -0.57 0.00 0.00 179.45 180.34 3bdk h THR 108 N 0.66 1.37 -0.23 -0.16 2.02 -0.34 -2.17 112.91 114.07 3bdk h THR 108 Ca 0.44 -1.23 0.06 0.00 0.77 0.00 0.00 66.41 66.45 3bdk h THR 108 Cb 0.73 2.03 -0.07 0.00 -1.74 0.00 0.00 68.15 69.10 3bdk h THR 108 CO -0.19 0.34 -0.26 0.28 0.37 0.00 0.00 175.52 176.06 3bdk h SER 109 N -0.26 -0.84 -0.56 4.18 0.02 -0.65 0.16 113.55 115.60 3bdk h SER 109 Ca 0.01 0.14 0.11 0.00 -0.84 0.00 0.00 61.79 61.22 3bdk h SER 109 Cb 0.58 0.39 -0.10 0.00 0.14 0.00 0.00 62.40 63.41 3bdk h SER 109 CO 0.02 -0.30 -0.05 0.40 -1.14 0.00 0.00 176.83 175.76 3bdk h ILE 110 N -0.28 0.50 -0.70 3.27 1.08 -1.10 -0.52 117.51 119.76 3bdk h ILE 110 Ca 0.13 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 3bdk h ILE 110 Cb 0.48 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 3bdk h ILE 110 CO -0.39 0.01 0.36 -0.09 -0.69 0.00 0.00 178.15 177.35 3bdk h ARG 111 N 0.07 0.99 0.00 2.37 9.65 -0.70 -0.94 114.38 125.82 3bdk h ARG 111 Ca 0.28 -0.13 -0.11 0.00 -1.10 0.00 0.00 59.98 58.92 3bdk h ARG 111 Cb 0.45 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 3bdk h ARG 111 CO -0.52 0.76 -0.51 -0.91 2.80 0.00 0.00 179.97 181.59 3bdk h ASN 112 N 0.97 0.00 -0.27 -3.80 2.35 0.17 0.11 115.58 115.11 3bdk h ASN 112 Ca 0.24 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.83 3bdk h ASN 112 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3bdk h ASN 112 CO -0.03 0.51 -0.46 0.58 -1.65 0.00 0.00 177.43 176.38 3bdk h VAL 113 N 0.00 1.29 -0.15 2.81 2.07 -0.69 -1.83 116.25 119.75 3bdk h VAL 113 Ca -0.01 -1.65 -0.07 0.00 0.82 0.00 0.00 66.70 65.79 3bdk h VAL 113 Cb 0.98 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3bdk h VAL 113 CO 0.07 0.53 -0.23 1.23 0.02 0.00 0.00 177.57 179.18 3bdk h GLY 114 N 0.54 0.28 1.80 2.17 0.00 -0.86 -1.41 103.07 105.58 3bdk h GLY 114 Ca 0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3bdk h GLY 114 CO 0.10 0.19 -0.25 0.00 0.00 0.00 0.00 176.54 176.58 3bdk h ALA 115 N 1.53 1.33 0.00 3.60 0.00 -0.57 -2.34 119.26 122.82 3bdk h ALA 115 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3bdk h ALA 115 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3bdk h ALA 115 CO 0.04 0.46 -0.07 0.00 0.00 0.00 0.00 179.25 179.68 3bdk h ALA 116 N 1.53 0.96 0.00 0.00 0.00 -0.42 -3.48 119.26 117.86 3bdk h ALA 116 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3bdk h ALA 116 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3bdk h ALA 116 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3bdk n GLY 117 N 1.17 0.93 3.66 0.00 0.00 -0.77 -5.07 105.19 105.10 3bdk n GLY 117 Ca 0.04 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3bdk n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdk s ILE 118 N -2.00 5.08 0.23 -0.61 1.01 -1.00 -4.98 121.20 118.92 3bdk s ILE 118 Ca 0.00 1.02 0.07 0.00 0.00 0.00 0.00 60.65 61.74 3bdk s ILE 118 Cb 0.00 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 3bdk s ILE 118 CO 0.00 0.15 1.51 1.55 0.00 0.00 0.00 174.94 178.15 3bdk h PRO 119 N 7.51 0.08 -5.94 2.79 0.13 -1.84 -3.40 132.00 131.33 3bdk h PRO 119 Ca -0.33 -0.07 -0.58 0.00 -0.87 0.00 0.00 66.00 64.15 3bdk h PRO 119 Cb 1.15 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 3bdk h PRO 119 CO 0.75 0.76 -0.85 0.08 -0.23 0.00 0.00 178.00 178.51 3bdk s VAL 120 N -3.44 1.57 -0.13 1.56 1.01 -1.24 -0.93 120.40 118.80 3bdk s VAL 120 Ca -0.02 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3bdk s VAL 120 Cb 0.12 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3bdk s VAL 120 CO 0.79 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 175.36 3bdk s VAL 121 N -0.55 2.15 -0.14 2.92 1.01 -0.28 -1.74 120.40 123.77 3bdk s VAL 121 Ca 0.07 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 3bdk s VAL 121 Cb -0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3bdk s VAL 121 CO -0.00 0.55 0.10 0.00 0.00 0.00 0.00 175.10 175.75 3bdk s TYR 123 N -0.51 0.65 0.23 0.00 -0.85 -1.10 -2.16 117.35 113.62 3bdk s TYR 123 Ca 0.11 -0.96 0.03 0.00 -0.52 0.00 0.00 57.07 55.73 3bdk s TYR 123 Cb -0.12 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 3bdk s TYR 123 CO 0.02 -0.95 0.01 0.54 -1.52 0.00 0.00 175.55 173.65 3bdk s ASN 124 N -3.09 1.72 -0.43 -0.18 2.20 -1.26 0.10 114.94 114.00 3bdk s ASN 124 Ca 0.27 -1.23 0.08 0.00 -0.94 0.00 0.00 52.86 51.05 3bdk s ASN 124 Cb 0.01 0.03 0.41 0.00 -2.00 0.00 0.00 41.25 39.70 3bdk s ASN 124 CO 0.12 -0.54 1.03 0.33 -2.94 0.00 0.00 177.10 175.10 3bdk n PHE 125 N -0.40 2.82 -3.52 1.54 7.35 -1.26 -4.57 117.46 119.40 3bdk n PHE 125 Ca -0.05 -3.22 -0.42 0.00 -0.76 0.00 0.00 57.45 53.00 3bdk n PHE 125 Cb 0.64 -0.23 -0.09 0.00 0.35 0.00 0.00 39.48 40.15 3bdk n PHE 125 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 3bdk s MET 126 N -3.37 2.78 0.01 -4.13 -1.94 -1.26 -4.89 119.30 106.50 3bdk s MET 126 Ca 0.43 -1.34 -0.34 0.00 -1.71 0.00 0.00 55.69 52.73 3bdk s MET 126 Cb 0.39 -3.90 -0.13 0.00 2.01 0.00 0.00 34.83 33.21 3bdk s MET 126 CO -0.12 -0.93 1.77 -2.30 -0.01 0.00 0.00 175.02 173.43 3bdk n PRO 127 N 5.04 2.17 0.00 2.03 -0.02 -1.26 -3.52 135.00 139.43 3bdk n PRO 127 Ca -0.11 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3bdk n PRO 127 Cb 0.44 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3bdk n PRO 127 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3bdk n VAL 128 N 4.49 0.00 -4.47 -1.45 3.14 -1.26 -4.77 118.33 114.01 3bdk n VAL 128 Ca 0.20 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.25 3bdk n VAL 128 Cb 0.29 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.92 3bdk n VAL 128 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3bdk s PHE 129 N 0.00 2.76 -0.09 1.45 0.40 -1.23 -4.97 117.98 116.29 3bdk s PHE 129 Ca 0.00 -1.23 0.14 0.00 -0.60 0.00 0.00 56.93 55.25 3bdk s PHE 129 Cb 0.00 -1.88 0.08 0.00 0.51 0.00 0.00 43.02 41.73 3bdk s PHE 129 CO 0.00 -0.58 1.45 -0.44 0.70 0.00 0.00 175.22 176.35 3bdk h ASP 130 N 7.46 0.00 -4.60 1.36 3.45 -1.86 -3.43 116.42 118.79 3bdk h ASP 130 Ca -0.35 0.00 0.10 0.00 0.43 0.00 0.00 57.03 57.21 3bdk h ASP 130 Cb 1.18 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.79 3bdk h ASP 130 CO 0.58 0.56 0.49 -1.66 -1.57 0.00 0.00 179.24 177.64 3bdk s TRP 131 N -2.98 -0.36 -0.05 4.55 1.48 -1.23 -4.20 118.94 116.17 3bdk s TRP 131 Ca 0.03 0.27 0.03 0.00 -1.06 0.00 0.00 56.10 55.37 3bdk s TRP 131 Cb 0.08 0.53 0.01 0.00 -1.16 0.00 0.00 33.47 32.93 3bdk s TRP 131 CO 0.75 -0.53 -0.11 0.99 -4.06 0.00 0.00 176.95 173.99 3bdk s THR 132 N -2.91 1.00 -0.05 0.66 2.01 -1.08 -4.95 115.64 110.32 3bdk s THR 132 Ca 0.04 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 3bdk s THR 132 Cb -0.01 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.63 3bdk s THR 132 CO -0.08 0.31 0.01 -0.13 -0.69 0.00 0.00 174.62 174.05 3bdk s ARG 133 N 0.43 0.36 0.23 4.92 1.81 -1.26 -4.70 118.95 120.75 3bdk s ARG 133 Ca -0.09 0.16 0.02 0.00 -1.72 0.00 0.00 55.73 54.10 3bdk s ARG 133 Cb -0.13 -0.72 0.24 0.00 -0.45 0.00 0.00 34.95 33.90 3bdk s ARG 133 CO 0.02 -0.26 1.57 0.66 -0.68 0.00 0.00 175.30 176.62 3bdk h SER 134 N 8.03 0.41 -3.39 0.23 4.64 -1.85 -3.45 113.55 118.16 3bdk h SER 134 Ca -0.24 -0.21 -0.40 0.00 -0.47 0.00 0.00 61.79 60.47 3bdk h SER 134 Cb 1.13 -0.12 -0.36 0.00 -0.31 0.00 0.00 62.40 62.75 3bdk h SER 134 CO 0.29 0.86 -0.76 -0.62 -0.87 0.00 0.00 176.83 175.73 3bdk s ASP 135 N -6.89 1.03 -0.02 4.97 2.15 -1.13 -5.01 116.67 111.77 3bdk s ASP 135 Ca -0.05 -0.08 0.17 0.00 0.43 0.00 0.00 52.55 53.02 3bdk s ASP 135 Cb 0.12 -0.37 0.53 0.00 -0.30 0.00 0.00 42.92 42.90 3bdk s ASP 135 CO 0.81 -0.12 1.44 0.18 -0.17 0.00 0.00 175.17 177.31 3bdk n LEU 136 N 4.49 3.70 -2.11 -1.34 4.77 -1.26 -1.18 117.00 124.07 3bdk n LEU 136 Ca -0.18 -2.11 -0.02 0.00 -0.03 0.00 0.00 56.01 53.67 3bdk n LEU 136 Cb 0.50 -0.41 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3bdk n LEU 136 CO 0.18 0.86 0.32 1.41 -1.33 0.00 0.00 177.39 178.83 3bdk n HIS 137 N 1.07 -0.46 -2.32 -1.77 8.25 -1.03 -4.50 115.22 114.46 3bdk n HIS 137 Ca 0.20 -1.32 -0.43 0.00 -0.26 0.00 0.00 57.72 55.91 3bdk n HIS 137 Cb 0.60 0.61 -0.02 0.00 1.12 0.00 0.00 29.99 32.30 3bdk n HIS 137 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3bdk s HIS 138 N -0.84 2.39 0.74 4.41 2.46 0.23 -4.49 115.29 120.19 3bdk s HIS 138 Ca 0.15 0.70 -0.15 0.00 0.47 0.00 0.00 55.06 56.23 3bdk s HIS 138 Cb 0.30 -4.18 0.03 0.00 -0.13 0.00 0.00 32.58 28.60 3bdk s HIS 138 CO -0.08 -2.07 1.16 -2.30 -2.47 0.00 0.00 174.74 168.98 3bdk n PRO 139 N 7.90 0.56 -4.44 2.88 -0.02 -1.26 -2.33 135.00 138.29 3bdk n PRO 139 Ca 0.17 0.26 -0.24 0.00 -2.02 0.00 0.00 63.50 61.66 3bdk n PRO 139 Cb 0.47 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 3bdk n PRO 139 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bdk s LEU 140 N -4.54 2.53 0.00 2.45 1.43 0.14 -4.90 118.68 115.79 3bdk s LEU 140 Ca 0.76 -0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3bdk s LEU 140 Cb -0.33 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 3bdk s LEU 140 CO 0.47 0.05 0.88 -0.81 0.23 0.00 0.00 176.35 177.17 3bdk n PRO 141 N -0.28 0.33 0.00 1.29 -0.04 -1.26 -1.73 135.00 133.31 3bdk n PRO 141 Ca -0.08 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 3bdk n PRO 141 Cb 0.59 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3bdk n PRO 141 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3bdk n ASP 142 N 2.56 0.00 0.00 3.54 5.68 -1.26 -5.02 116.55 122.05 3bdk n ASP 142 Ca 0.06 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 3bdk n ASP 142 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3bdk n ASP 142 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bdk n GLY 143 N 0.00 0.79 3.84 6.12 0.00 -0.71 -5.10 105.19 110.14 3bdk n GLY 143 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bdk n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bdk s SER 144 N -1.84 6.62 1.00 1.61 1.04 -1.25 -4.81 113.70 116.07 3bdk s SER 144 Ca 0.00 0.74 -0.17 0.00 0.48 0.00 0.00 55.95 57.00 3bdk s SER 144 Cb 0.00 -2.18 0.22 0.00 0.10 0.00 0.00 66.02 64.16 3bdk s SER 144 CO 0.00 0.34 1.31 0.42 0.98 0.00 0.00 173.24 176.29 3bdk s THR 145 N -0.93 1.95 0.00 2.02 -4.23 -1.16 0.23 115.64 113.52 3bdk s THR 145 Ca 0.20 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 3bdk s THR 145 Cb -0.15 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3bdk s THR 145 CO 0.09 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.63 3bdk n SER 146 N -3.92 0.00 -4.82 3.99 3.41 -0.98 -2.95 113.62 108.35 3bdk n SER 146 Ca 0.15 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.39 3bdk n SER 146 Cb 0.59 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 3bdk n SER 146 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3bdk s LEU 147 N 0.00 4.44 0.11 1.04 1.43 -1.26 0.77 118.68 125.20 3bdk s LEU 147 Ca 0.00 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 3bdk s LEU 147 Cb 0.00 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3bdk s LEU 147 CO 0.00 0.27 -0.05 0.00 0.23 0.00 0.00 176.35 176.81 3bdk s ALA 148 N -0.78 1.00 -0.61 4.21 0.00 -0.33 -1.46 121.76 123.79 3bdk s ALA 148 Ca 0.24 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3bdk s ALA 148 Cb -0.16 0.27 0.15 0.00 0.00 0.00 0.00 23.12 23.37 3bdk s ALA 148 CO 0.12 -0.27 0.38 0.12 0.00 0.00 0.00 175.76 176.11 3bdk s PHE 149 N -3.67 3.35 -0.66 0.00 5.36 0.20 -2.59 117.98 119.97 3bdk s PHE 149 Ca 0.14 -3.12 -0.27 0.00 -0.96 0.00 0.00 56.93 52.72 3bdk s PHE 149 Cb 0.06 -2.90 0.01 0.00 -0.34 0.00 0.00 43.02 39.85 3bdk s PHE 149 CO -0.03 -0.72 1.45 -0.51 -1.46 0.00 0.00 175.22 173.95 3bdk s LEU 150 N -0.58 3.26 0.43 6.12 1.43 -1.26 -2.90 118.68 125.18 3bdk s LEU 150 Ca 0.19 -0.04 0.12 0.00 -1.03 0.00 0.00 54.13 53.37 3bdk s LEU 150 Cb -0.19 -2.71 1.00 0.00 0.03 0.00 0.00 46.19 44.32 3bdk s LEU 150 CO -0.05 -1.92 2.00 0.50 0.23 0.00 0.00 176.35 177.11 3bdk h LYS 151 N 11.48 0.42 0.18 1.70 3.64 -1.94 -2.76 116.57 129.28 3bdk h LYS 151 Ca -0.27 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 3bdk h LYS 151 Cb 1.09 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3bdk h LYS 151 CO 1.23 0.28 -0.08 0.77 -2.27 0.00 0.00 179.45 179.37 3bdk h SER 152 N 0.43 -0.20 -2.18 4.20 0.02 -1.89 -3.40 113.55 110.52 3bdk h SER 152 Ca 0.24 0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 60.59 3bdk h SER 152 Cb 0.39 0.05 0.06 0.00 0.14 0.00 0.00 62.40 63.04 3bdk h SER 152 CO -0.06 -0.11 0.70 0.47 -1.14 0.00 0.00 176.83 176.69 3bdk n ASP 153 N -2.84 2.74 0.00 3.07 9.92 -1.04 -3.59 116.55 124.81 3bdk n ASP 153 Ca -0.03 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.33 3bdk n ASP 153 Cb 0.09 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.20 3bdk n ASP 153 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3bdk n LEU 154 N 3.11 0.00 -0.25 0.64 7.94 -1.26 -4.84 117.00 122.34 3bdk n LEU 154 Ca 0.17 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 55.04 3bdk n LEU 154 Cb 0.27 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.21 3bdk n LEU 154 CO 0.63 0.00 0.11 0.00 -1.11 0.00 0.00 177.39 177.02 3bdk n ALA 155 N 0.00 0.01 0.00 1.96 0.00 -1.24 -3.27 120.51 117.98 3bdk n ALA 155 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3bdk n ALA 155 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3bdk n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdk n GLY 156 N 0.40 1.98 2.94 0.00 0.00 -1.26 -4.90 105.19 104.35 3bdk n GLY 156 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3bdk n GLY 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdk s VAL 157 N -1.98 0.43 0.17 1.61 1.01 -1.20 -5.13 120.40 115.30 3bdk s VAL 157 Ca 0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 61.98 61.48 3bdk s VAL 157 Cb 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 36.38 35.87 3bdk s VAL 157 CO 0.00 0.15 1.70 -0.62 0.00 0.00 0.00 175.10 176.33 3bdk s ASP 158 N 0.19 6.45 -0.57 3.32 2.15 -1.26 -4.90 116.67 122.06 3bdk s ASP 158 Ca -0.02 2.76 -0.26 0.00 0.43 0.00 0.00 52.55 55.46 3bdk s ASP 158 Cb -0.06 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 39.90 3bdk s ASP 158 CO -0.00 -0.94 2.32 -2.84 -0.17 0.00 0.00 175.17 173.54 3bdk s PRO 159 N 1.59 2.10 -0.90 4.34 0.02 -1.26 -5.21 135.00 135.69 3bdk s PRO 159 Ca 0.75 1.10 -0.25 0.00 0.02 0.00 0.00 61.00 62.62 3bdk s PRO 159 Cb -0.47 -4.60 -0.12 0.00 0.02 0.00 0.00 34.50 29.33 3bdk s PRO 159 CO 0.33 -3.40 2.19 0.14 -0.33 0.00 0.00 177.00 175.93 3bdk s VAL 160 N 12.15 3.19 0.00 3.83 -7.23 -1.26 -5.22 120.40 125.85 3bdk s VAL 160 Ca 0.92 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 3bdk s VAL 160 Cb -0.15 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.21 3bdk s VAL 160 CO 0.22 -0.38 0.00 0.00 -0.31 0.00 0.00 175.10 174.62 3bdk n ALA 180 N 17.09 0.00 -0.10 1.32 0.00 -1.26 -5.32 120.51 132.24 3bdk n ALA 180 Ca 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 3bdk n ALA 180 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 3bdk n ALA 180 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3bdk h ILE 181 N 0.00 0.93 -0.16 0.00 5.03 -2.04 -2.68 117.51 118.59 3bdk h ILE 181 Ca 0.00 -0.10 0.04 0.00 -0.12 0.00 0.00 64.86 64.68 3bdk h ILE 181 Cb 0.00 0.60 -0.05 0.00 -3.03 0.00 0.00 36.82 34.35 3bdk h ILE 181 CO 0.00 0.06 -0.12 0.40 -0.68 0.00 0.00 178.15 177.81 3bdk h ILE 182 N 0.31 0.66 -0.56 -0.67 1.08 -2.00 -2.00 117.51 114.32 3bdk h ILE 182 Ca 0.15 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.53 3bdk h ILE 182 Cb 0.10 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 3bdk h ILE 182 CO -0.14 0.00 -0.00 -0.33 -0.69 0.00 0.00 178.15 176.99 3bdk h GLU 183 N -0.12 0.98 -0.46 2.37 3.07 -1.96 0.53 114.58 118.98 3bdk h GLU 183 Ca 0.10 -0.29 0.07 0.00 -0.50 0.00 0.00 59.36 58.74 3bdk h GLU 183 Cb 0.27 -0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 27.99 3bdk h GLU 183 CO -0.24 0.96 -0.45 -0.97 -1.40 0.00 0.00 179.01 176.91 3bdk h ASN 184 N 0.90 -1.51 -0.51 1.42 -1.24 -1.03 2.12 115.58 115.72 3bdk h ASN 184 Ca 0.16 0.23 -0.03 0.00 0.71 0.00 0.00 56.30 57.37 3bdk h ASN 184 Cb 0.53 0.66 -0.02 0.00 0.73 0.00 0.00 38.32 40.22 3bdk h ASN 184 CO 0.03 -0.36 0.20 1.88 -1.29 0.00 0.00 177.43 177.88 3bdk h TYR 185 N -0.30 0.78 0.31 0.67 -1.99 -0.79 0.73 116.97 116.37 3bdk h TYR 185 Ca 0.14 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 3bdk h TYR 185 Cb 0.58 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.08 3bdk h TYR 185 CO -0.67 0.65 -0.15 0.00 -0.00 0.00 0.00 178.16 178.00 3bdk h ARG 186 N 0.69 -0.40 0.13 4.88 3.08 -0.27 -2.99 114.38 119.49 3bdk h ARG 186 Ca 0.17 0.03 -0.18 0.00 0.07 0.00 0.00 59.98 60.07 3bdk h ARG 186 Cb 0.21 0.09 0.02 0.00 0.08 0.00 0.00 29.97 30.37 3bdk h ARG 186 CO -0.01 -0.26 -0.77 0.37 -1.07 0.00 0.00 179.97 178.22 3bdk h GLN 187 N -0.42 0.28 0.00 0.04 5.75 0.36 -3.44 115.11 117.67 3bdk h GLN 187 Ca -0.04 -0.47 -0.21 0.00 -0.15 0.00 0.00 58.65 57.77 3bdk h GLN 187 Cb 0.32 0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 3bdk h GLN 187 CO 0.07 1.23 -1.62 0.09 -2.65 0.00 0.00 178.83 175.95 3bdk n ASN 188 N -4.15 1.70 -4.56 -0.69 3.02 0.25 -4.98 115.26 105.85 3bdk n ASN 188 Ca -0.14 0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 3bdk n ASN 188 Cb 0.80 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 3bdk n ASN 188 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bdk s ILE 189 N -2.57 4.40 0.68 2.41 1.01 -0.97 -5.01 121.20 121.15 3bdk s ILE 189 Ca -0.28 0.73 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 3bdk s ILE 189 Cb 0.08 -4.49 0.04 0.00 0.01 0.00 0.00 42.46 38.11 3bdk s ILE 189 CO 0.38 -0.93 1.01 -0.94 0.00 0.00 0.00 174.94 174.46 3bdk s SER 190 N 2.43 5.08 0.34 3.58 1.04 -1.26 -4.70 113.70 120.21 3bdk s SER 190 Ca 0.37 0.64 0.07 0.00 0.48 0.00 0.00 55.95 57.51 3bdk s SER 190 Cb -0.10 -1.39 0.74 0.00 0.10 0.00 0.00 66.02 65.37 3bdk s SER 190 CO 0.26 -1.45 1.89 -0.33 0.98 0.00 0.00 173.24 174.59 3bdk h GLU 191 N -0.53 0.75 0.00 4.02 5.08 -1.96 0.17 114.58 122.11 3bdk h GLU 191 Ca -0.45 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 3bdk h GLU 191 Cb 1.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3bdk h GLU 191 CO 0.61 0.50 -0.33 0.93 -1.00 0.00 0.00 179.01 179.72 3bdk h GLU 192 N 0.77 0.00 -0.22 2.33 4.39 -1.98 0.34 114.58 120.22 3bdk h GLU 192 Ca 0.42 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.95 3bdk h GLU 192 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3bdk h GLU 192 CO -0.18 0.33 -0.54 -0.44 -1.16 0.00 0.00 179.01 177.02 3bdk h ASP 193 N 0.00 0.73 -0.38 1.42 3.45 -1.14 -1.13 116.42 119.36 3bdk h ASP 193 Ca -0.00 -0.38 -0.15 0.00 0.43 0.00 0.00 57.03 56.92 3bdk h ASP 193 Cb 1.04 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.59 3bdk h ASP 193 CO 0.04 1.12 -0.36 0.25 -1.57 0.00 0.00 179.24 178.73 3bdk h LEU 194 N 0.51 0.99 -0.68 1.55 5.85 -0.51 0.23 115.31 123.24 3bdk h LEU 194 Ca 0.01 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3bdk h LEU 194 Cb 1.10 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3bdk h LEU 194 CO 0.11 1.23 0.40 -0.50 -0.34 0.00 0.00 178.44 179.34 3bdk h TRP 195 N 0.77 0.75 -0.10 1.25 4.06 -0.23 -0.37 115.95 122.07 3bdk h TRP 195 Ca 0.07 0.02 -0.16 0.00 2.06 0.00 0.00 58.89 60.89 3bdk h TRP 195 Cb 0.94 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.86 3bdk h TRP 195 CO 0.06 0.39 -0.61 0.00 -3.56 0.00 0.00 178.44 174.72 3bdk h ALA 196 N 1.32 0.76 -0.20 1.49 0.00 -0.84 -1.38 119.26 120.41 3bdk h ALA 196 Ca 0.29 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3bdk h ALA 196 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3bdk h ALA 196 CO -0.14 0.72 0.04 -0.91 0.00 0.00 0.00 179.25 178.96 3bdk h ASN 197 N 0.26 0.32 -0.58 0.00 2.35 -0.18 -2.18 115.58 115.56 3bdk h ASN 197 Ca -0.01 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.53 3bdk h ASN 197 Cb 1.14 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 3bdk h ASN 197 CO 0.10 0.48 0.33 0.25 -1.65 0.00 0.00 177.43 176.95 3bdk h LEU 198 N 0.13 0.52 -0.43 1.61 5.85 -1.06 -1.99 115.31 119.94 3bdk h LEU 198 Ca 0.06 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3bdk h LEU 198 Cb 0.30 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3bdk h LEU 198 CO 0.00 0.36 0.26 -0.08 -0.34 0.00 0.00 178.44 178.64 3bdk h GLU 199 N 0.65 0.59 -0.09 1.25 4.81 -1.18 0.28 114.58 120.88 3bdk h GLU 199 Ca 0.24 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3bdk h GLU 199 Cb 0.08 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 3bdk h GLU 199 CO -0.13 0.44 -0.37 -0.92 -0.73 0.00 0.00 179.01 177.30 3bdk h TYR 200 N 0.57 -1.03 -0.28 0.92 3.20 -1.24 -0.10 116.97 119.02 3bdk h TYR 200 Ca 0.15 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.09 3bdk h TYR 200 Cb 0.00 0.47 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 3bdk h TYR 200 CO -0.03 -0.44 -0.29 0.35 -1.64 0.00 0.00 178.16 176.10 3bdk h PHE 201 N -0.47 -0.91 0.00 -3.82 -0.00 -0.72 -1.18 116.94 109.85 3bdk h PHE 201 Ca 0.08 0.05 -0.03 0.00 -0.00 0.00 0.00 57.97 58.07 3bdk h PHE 201 Cb 0.59 0.43 -0.00 0.00 -0.00 0.00 0.00 35.95 36.97 3bdk h PHE 201 CO -0.42 -0.24 -0.13 -0.84 -0.00 0.00 0.00 178.31 176.67 3bdk h ILE 202 N -0.16 0.50 -0.12 1.41 -0.00 -0.68 0.60 117.51 119.05 3bdk h ILE 202 Ca 0.05 -0.65 -0.15 0.00 -0.00 0.00 0.00 64.86 64.10 3bdk h ILE 202 Cb 0.29 1.44 -0.01 0.00 -0.00 0.00 0.00 36.82 38.54 3bdk h ILE 202 CO -0.35 0.13 -0.57 0.11 -0.00 0.00 0.00 178.15 177.47 3bdk h LYS 203 N 0.00 0.37 -0.16 0.16 1.57 -0.55 -2.25 116.57 115.72 3bdk h LYS 203 Ca -0.00 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.37 3bdk h LYS 203 Cb 0.43 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3bdk h LYS 203 CO 0.02 0.84 -0.58 0.00 -0.57 0.00 0.00 179.45 179.16 3bdk h ALA 204 N 1.11 0.70 0.02 3.86 0.00 0.32 -3.37 119.26 121.88 3bdk h ALA 204 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 54.91 54.03 3bdk h ALA 204 Cb 1.09 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3bdk h ALA 204 CO 0.10 0.70 -2.16 0.44 0.00 0.00 0.00 179.25 178.32 3bdk n ILE 205 N -3.93 1.52 -0.11 0.00 -5.35 -0.63 -4.68 119.36 106.17 3bdk n ILE 205 Ca -0.03 -0.77 -0.05 0.00 -0.27 0.00 0.00 62.75 61.63 3bdk n ILE 205 Cb 0.62 -0.94 0.01 0.00 -1.74 0.00 0.00 39.64 37.59 3bdk n ILE 205 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3bdk h LEU 206 N 0.01 -0.61 -1.74 7.28 -0.00 -1.57 -0.09 115.31 118.60 3bdk h LEU 206 Ca -0.46 0.15 0.09 0.00 -0.00 0.00 0.00 57.88 57.65 3bdk h LEU 206 Cb 2.10 0.34 -0.03 0.00 -0.00 0.00 0.00 40.66 43.06 3bdk h LEU 206 CO 0.03 -0.21 0.34 -0.65 -0.00 0.00 0.00 178.44 177.95 3bdk h PRO 207 N -0.10 0.29 -0.46 1.13 0.11 -1.83 -0.40 132.00 130.73 3bdk h PRO 207 Ca 0.19 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3bdk h PRO 207 Cb 0.40 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3bdk h PRO 207 CO -0.46 0.19 0.16 1.15 -0.21 0.00 0.00 178.00 178.84 3bdk h THR 208 N 0.30 1.21 -0.50 -1.15 2.02 -1.31 -0.53 112.91 112.95 3bdk h THR 208 Ca 0.23 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3bdk h THR 208 Cb 0.52 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3bdk h THR 208 CO -0.05 0.25 0.25 0.00 0.37 0.00 0.00 175.52 176.34 3bdk h ALA 209 N 1.01 1.49 0.15 6.16 0.00 -0.54 0.14 119.26 127.67 3bdk h ALA 209 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3bdk h ALA 209 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3bdk h ALA 209 CO -0.01 0.41 -0.07 0.93 0.00 0.00 0.00 179.25 180.51 3bdk h GLU 210 N 0.70 -0.19 -0.76 0.00 5.08 -0.56 0.16 114.58 119.02 3bdk h GLU 210 Ca 0.18 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 3bdk h GLU 210 Cb 0.07 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3bdk h GLU 210 CO -0.02 0.08 0.50 0.93 -1.00 0.00 0.00 179.01 179.50 3bdk h GLU 211 N -0.46 0.88 0.00 2.33 5.08 -0.75 -2.13 114.58 119.53 3bdk h GLU 211 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3bdk h GLU 211 Cb 0.36 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3bdk h GLU 211 CO 0.03 0.58 0.00 0.00 -1.00 0.00 0.00 179.01 178.62 3bdk h ALA 212 N 1.56 1.00 -1.65 3.43 0.00 -0.54 -3.47 119.26 119.59 3bdk h ALA 212 Ca 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 3bdk h ALA 212 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3bdk h ALA 212 CO -0.09 0.00 -0.20 0.41 0.00 0.00 0.00 179.25 179.37 3bdk n GLY 213 N 0.37 0.23 3.27 0.00 0.00 -0.80 -4.57 105.19 103.70 3bdk n GLY 213 Ca 0.03 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3bdk n GLY 213 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdk s VAL 214 N -2.66 2.01 -0.20 1.61 1.01 0.51 -4.79 120.40 117.91 3bdk s VAL 214 Ca 0.08 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 3bdk s VAL 214 Cb -0.03 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3bdk s VAL 214 CO 0.10 0.56 0.11 -0.54 0.00 0.00 0.00 175.10 175.34 3bdk s LYS 215 N -0.28 4.11 0.25 2.72 1.02 -0.11 -4.34 119.74 123.11 3bdk s LYS 215 Ca 0.00 -0.26 -0.16 0.00 0.02 0.00 0.00 55.97 55.57 3bdk s LYS 215 Cb -0.12 -3.37 -0.08 0.00 -0.52 0.00 0.00 37.83 33.73 3bdk s LYS 215 CO 0.02 0.26 0.68 -1.64 -0.92 0.00 0.00 175.35 173.75 3bdk s MET 216 N 0.45 4.06 -0.29 1.68 -1.94 0.23 -1.13 119.30 122.36 3bdk s MET 216 Ca 0.07 0.66 -0.01 0.00 -1.71 0.00 0.00 55.69 54.70 3bdk s MET 216 Cb -0.12 -2.69 0.13 0.00 2.01 0.00 0.00 34.83 34.17 3bdk s MET 216 CO -0.01 0.31 0.27 0.00 -0.01 0.00 0.00 175.02 175.58 3bdk s ALA 217 N -1.72 -0.28 0.14 3.03 0.00 -0.53 -1.46 121.76 120.94 3bdk s ALA 217 Ca 0.47 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 3bdk s ALA 217 Cb -0.13 -1.74 -0.07 0.00 0.00 0.00 0.00 23.12 21.18 3bdk s ALA 217 CO 0.19 -1.71 1.10 -1.50 0.00 0.00 0.00 175.76 173.84 3bdk s ILE 218 N 2.30 4.02 -0.09 0.00 2.07 -0.84 -2.71 121.20 125.95 3bdk s ILE 218 Ca 0.09 1.65 -0.22 0.00 -1.41 0.00 0.00 60.65 60.76 3bdk s ILE 218 Cb -0.14 -4.05 -0.04 0.00 0.13 0.00 0.00 42.46 38.36 3bdk s ILE 218 CO -0.33 0.24 0.65 -2.28 -1.91 0.00 0.00 174.94 171.31 3bdk s HIS 219 N 0.12 3.55 1.23 3.50 5.65 0.29 -0.71 115.29 128.92 3bdk s HIS 219 Ca 0.51 1.15 -0.17 0.00 0.25 0.00 0.00 55.06 56.80 3bdk s HIS 219 Cb -0.28 -2.75 0.26 0.00 -1.18 0.00 0.00 32.58 28.63 3bdk s HIS 219 CO 0.33 0.08 0.66 -0.35 -0.65 0.00 0.00 174.74 174.80 3bdk n PRO 220 N 3.87 -2.93 -2.94 2.88 -0.04 -1.26 -4.44 135.00 130.15 3bdk n PRO 220 Ca -0.02 -0.85 -0.39 0.00 -0.04 0.00 0.00 63.50 62.20 3bdk n PRO 220 Cb 0.51 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 3bdk n PRO 220 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3bdk s ASP 221 N -2.37 7.37 -0.33 3.54 -0.00 -0.29 -4.93 116.67 119.66 3bdk s ASP 221 Ca 0.62 1.68 -0.00 0.00 -0.00 0.00 0.00 52.55 54.84 3bdk s ASP 221 Cb -0.17 -2.51 0.11 0.00 -0.00 0.00 0.00 42.92 40.35 3bdk s ASP 221 CO 0.60 0.14 0.13 -0.62 -0.00 0.00 0.00 175.17 175.42 3bdk s ASP 222 N -1.29 3.90 0.67 0.27 -1.08 -1.26 -1.89 116.67 115.98 3bdk s ASP 222 Ca 0.39 -1.83 -0.16 0.00 -0.52 0.00 0.00 52.55 50.43 3bdk s ASP 222 Cb -0.22 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.39 3bdk s ASP 222 CO 0.26 -0.38 1.17 -2.84 0.52 0.00 0.00 175.17 173.89 3bdk s PRO 223 N 1.38 2.61 -0.01 4.34 0.02 -1.26 -2.64 135.00 139.44 3bdk s PRO 223 Ca 0.12 1.64 -0.00 0.00 0.02 0.00 0.00 61.00 62.78 3bdk s PRO 223 Cb -0.19 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 3bdk s PRO 223 CO -0.20 -1.45 2.09 -0.35 -0.33 0.00 0.00 177.00 176.77 3bdk n PRO 224 N -2.29 1.08 -3.52 5.54 -0.04 -0.79 -4.76 135.00 130.23 3bdk n PRO 224 Ca 0.12 -0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 3bdk n PRO 224 Cb 0.51 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 3bdk n PRO 224 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3bdk s TYR 225 N -0.01 -0.44 0.16 0.54 -0.85 -1.26 -4.65 117.35 110.84 3bdk s TYR 225 Ca 0.05 0.19 -0.33 0.00 -0.52 0.00 0.00 57.07 56.46 3bdk s TYR 225 Cb 0.03 0.59 -0.13 0.00 0.38 0.00 0.00 41.96 42.83 3bdk s TYR 225 CO -0.00 -0.88 1.68 0.41 -1.52 0.00 0.00 175.55 175.24 3bdk n GLY 226 N -0.38 1.36 3.30 5.49 0.00 -1.26 -4.81 105.19 108.89 3bdk n GLY 226 Ca -0.13 0.66 -0.16 0.00 0.00 0.00 0.00 46.02 46.39 3bdk n GLY 226 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bdk s ILE 227 N 1.38 0.79 -0.64 -0.61 -4.36 -1.18 -4.90 121.20 111.68 3bdk s ILE 227 Ca 0.78 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.16 3bdk s ILE 227 Cb -0.59 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 40.76 3bdk s ILE 227 CO 0.36 -0.28 0.04 0.49 0.24 0.00 0.00 174.94 175.80 3bdk n PHE 228 N -0.38 -1.68 -0.12 1.37 3.72 -1.26 0.10 117.46 119.21 3bdk n PHE 228 Ca -0.04 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3bdk n PHE 228 Cb 0.64 -2.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.17 3bdk n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bdk n GLY 229 N -0.70 1.51 3.79 1.37 0.00 -1.26 -4.97 105.19 104.92 3bdk n GLY 229 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3bdk n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdk s LEU 230 N 0.00 4.05 0.30 0.99 1.43 0.28 -4.33 118.68 121.41 3bdk s LEU 230 Ca 0.00 2.00 -0.08 0.00 -1.03 0.00 0.00 54.13 55.02 3bdk s LEU 230 Cb 0.00 -4.30 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 3bdk s LEU 230 CO 0.00 -0.57 0.61 -2.16 0.23 0.00 0.00 176.35 174.46 3bdk s PRO 231 N -2.72 3.72 -0.02 1.29 0.04 -1.26 -3.13 135.00 132.92 3bdk s PRO 231 Ca 0.61 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.86 3bdk s PRO 231 Cb -0.20 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.78 3bdk s PRO 231 CO 0.25 0.18 -0.02 1.03 0.04 0.00 0.00 177.00 178.48 3bdk s ARG 232 N -3.43 0.32 -0.01 4.56 3.00 -1.26 -4.66 118.95 117.47 3bdk s ARG 232 Ca 0.47 -0.02 0.02 0.00 0.00 0.00 0.00 55.73 56.20 3bdk s ARG 232 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 34.95 34.40 3bdk s ARG 232 CO 0.28 -0.04 0.04 0.44 0.00 0.00 0.00 175.30 176.01 3bdk n ILE 233 N 3.64 0.06 -3.05 1.52 -5.35 -1.26 -4.68 119.36 110.23 3bdk n ILE 233 Ca -0.21 -0.07 -0.44 0.00 -0.27 0.00 0.00 62.75 61.75 3bdk n ILE 233 Cb 0.54 -0.08 -0.01 0.00 -1.74 0.00 0.00 39.64 38.36 3bdk n ILE 233 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3bdk s ILE 234 N -2.13 5.22 0.00 7.28 -1.09 -1.26 -4.66 121.20 124.56 3bdk s ILE 234 Ca -0.01 -2.60 0.00 0.00 -2.23 0.00 0.00 60.65 55.81 3bdk s ILE 234 Cb 0.01 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 3bdk s ILE 234 CO 0.10 -1.47 0.00 0.35 -1.23 0.00 0.00 174.94 172.69 3bdk n THR 235 N 4.33 0.00 -3.70 2.92 -2.24 -1.26 -1.13 114.28 113.20 3bdk n THR 235 Ca 0.30 -0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 62.05 3bdk n THR 235 Cb 0.43 0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.97 3bdk n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdk n GLY 236 N 0.79 0.87 0.16 3.38 0.00 -1.26 -4.91 105.19 104.22 3bdk n GLY 236 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 3bdk n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3bdk h GLN 237 N 0.00 0.41 -0.28 1.61 5.75 -1.98 0.62 115.11 121.24 3bdk h GLN 237 Ca -0.11 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.41 3bdk h GLN 237 Cb 0.50 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 3bdk h GLN 237 CO 0.15 0.27 0.02 1.05 -2.65 0.00 0.00 178.83 177.67 3bdk h GLU 238 N 0.43 0.11 -0.43 1.69 9.09 -1.99 -0.56 114.58 122.91 3bdk h GLU 238 Ca 0.15 -0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.56 3bdk h GLU 238 Cb 0.02 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.07 3bdk h GLU 238 CO -0.07 0.07 0.28 0.00 0.05 0.00 0.00 179.01 179.34 3bdk h ALA 239 N 1.23 0.55 -0.08 1.06 0.00 -1.70 -2.02 119.26 118.29 3bdk h ALA 239 Ca 0.14 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3bdk h ALA 239 Cb 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3bdk h ALA 239 CO -0.21 -0.01 -0.14 0.28 0.00 0.00 0.00 179.25 179.16 3bdk h VAL 240 N 0.57 0.62 -0.52 0.00 2.07 -0.35 0.27 116.25 118.92 3bdk h VAL 240 Ca 0.16 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.73 3bdk h VAL 240 Cb -0.06 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3bdk h VAL 240 CO -0.04 0.00 0.24 -0.08 0.02 0.00 0.00 177.57 177.71 3bdk h GLU 241 N -0.20 0.46 -0.28 1.57 4.81 -0.97 0.34 114.58 120.30 3bdk h GLU 241 Ca 0.08 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3bdk h GLU 241 Cb 0.31 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3bdk h GLU 241 CO -0.20 0.30 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.18 3bdk h ARG 242 N 0.47 0.46 0.44 1.92 2.43 -1.11 -2.58 114.38 116.42 3bdk h ARG 242 Ca 0.24 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3bdk h ARG 242 Cb 0.18 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3bdk h ARG 242 CO -0.19 0.58 -0.21 0.35 -1.51 0.00 0.00 179.97 178.99 3bdk h PHE 243 N 0.43 -0.55 -0.71 2.20 3.57 0.52 -3.12 116.94 119.28 3bdk h PHE 243 Ca 0.08 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.76 3bdk h PHE 243 Cb 0.46 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 3bdk h PHE 243 CO 0.01 -0.23 0.50 -0.07 -2.23 0.00 0.00 178.31 176.29 3bdk h LEU 244 N -0.88 0.11 -0.18 0.59 4.07 -0.95 0.09 115.31 118.15 3bdk h LEU 244 Ca -0.06 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3bdk h LEU 244 Cb 0.57 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.30 3bdk h LEU 244 CO 0.10 0.05 0.00 0.59 -1.08 0.00 0.00 178.44 178.10 3bdk n ASN 245 N -4.38 0.73 0.12 -0.43 3.02 -0.97 -3.55 115.26 109.79 3bdk n ASN 245 Ca 0.14 0.59 0.06 0.00 -0.03 0.00 0.00 54.58 55.35 3bdk n ASN 245 Cb 0.70 -0.78 0.53 0.00 -0.61 0.00 0.00 39.78 39.62 3bdk n ASN 245 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3bdk h LEU 246 N 0.00 0.24 -6.00 3.41 3.38 -0.91 -3.38 115.31 112.06 3bdk h LEU 246 Ca 0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3bdk h LEU 246 Cb 0.62 -0.06 -0.21 0.00 0.09 0.00 0.00 40.66 41.10 3bdk h LEU 246 CO 0.00 0.18 -0.28 -0.47 0.09 0.00 0.00 178.44 177.95 3bdk s TYR 247 N -5.29 -1.62 -0.69 1.13 6.14 -1.23 -4.88 117.35 110.91 3bdk s TYR 247 Ca -0.07 1.41 -0.23 0.00 0.64 0.00 0.00 57.07 58.82 3bdk s TYR 247 Cb 0.17 0.45 0.07 0.00 0.42 0.00 0.00 41.96 43.07 3bdk s TYR 247 CO 0.70 -0.91 1.01 0.34 0.64 0.00 0.00 175.55 177.33 3bdk s ASP 248 N 2.86 6.21 0.11 4.32 2.15 -1.24 -4.73 116.67 126.34 3bdk s ASP 248 Ca 0.16 -1.02 -0.25 0.00 0.43 0.00 0.00 52.55 51.88 3bdk s ASP 248 Cb -0.13 -2.43 0.08 0.00 -0.30 0.00 0.00 42.92 40.14 3bdk s ASP 248 CO -0.22 -1.46 0.69 -0.55 -0.17 0.00 0.00 175.17 173.46 3bdk s SER 249 N 3.71 -0.51 0.41 -0.34 0.15 -1.26 -5.03 113.70 110.83 3bdk s SER 249 Ca 0.24 0.01 0.14 0.00 0.70 0.00 0.00 55.95 57.04 3bdk s SER 249 Cb -0.15 0.54 0.87 0.00 -1.71 0.00 0.00 66.02 65.57 3bdk s SER 249 CO 0.09 -0.86 1.92 -0.33 1.20 0.00 0.00 173.24 175.25 3bdk h GLU 250 N 2.01 0.00 0.00 5.44 5.08 -1.92 -2.34 114.58 122.85 3bdk h GLU 250 Ca -0.30 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3bdk h GLU 250 Cb 1.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3bdk h GLU 250 CO 0.36 0.27 0.00 0.72 -1.00 0.00 0.00 179.01 179.36 3bdk n HIS 251 N -4.22 0.31 -3.85 4.33 8.25 -1.26 -3.75 115.22 115.03 3bdk n HIS 251 Ca -0.02 0.13 -0.28 0.00 -0.26 0.00 0.00 57.72 57.28 3bdk n HIS 251 Cb 0.32 -0.71 -0.12 0.00 1.12 0.00 0.00 29.99 30.60 3bdk n HIS 251 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3bdk s ASN 252 N -3.47 4.31 0.00 0.41 2.47 -0.88 -0.60 114.94 117.18 3bdk s ASN 252 Ca 0.04 -3.52 0.00 0.00 0.42 0.00 0.00 52.86 49.80 3bdk s ASN 252 Cb 0.08 -1.48 0.00 0.00 -1.45 0.00 0.00 41.25 38.40 3bdk s ASN 252 CO 0.26 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 174.12 3bdk n GLY 253 N 2.39 6.45 3.39 1.21 0.00 -0.53 -4.54 105.19 113.56 3bdk n GLY 253 Ca 0.17 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 3bdk n GLY 253 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bdk s ILE 254 N 0.03 2.09 -0.63 -0.61 -4.36 0.32 -1.98 121.20 116.06 3bdk s ILE 254 Ca 0.00 -2.13 -0.19 0.00 -0.26 0.00 0.00 60.65 58.08 3bdk s ILE 254 Cb 0.00 -2.06 0.11 0.00 1.25 0.00 0.00 42.46 41.76 3bdk s ILE 254 CO 0.00 -0.35 0.75 -0.89 0.24 0.00 0.00 174.94 174.70 3bdk s THR 255 N -2.25 4.83 -0.87 8.37 2.01 0.11 -0.93 115.64 126.92 3bdk s THR 255 Ca 0.22 -1.10 -0.25 0.00 0.31 0.00 0.00 61.69 60.87 3bdk s THR 255 Cb -0.05 -4.52 -0.03 0.00 0.01 0.00 0.00 72.50 67.90 3bdk s THR 255 CO 0.10 -1.17 1.88 -0.32 -0.69 0.00 0.00 174.62 174.41 3bdk s MET 256 N 2.61 2.67 -0.96 4.92 1.75 0.05 -4.40 119.30 125.94 3bdk s MET 256 Ca 0.14 -0.23 -0.15 0.00 -1.25 0.00 0.00 55.69 54.21 3bdk s MET 256 Cb -0.22 -4.97 0.19 0.00 2.84 0.00 0.00 34.83 32.68 3bdk s MET 256 CO 0.04 -3.15 1.03 0.00 -0.65 0.00 0.00 175.02 172.29 3bdk h VAL 258 N 4.92 0.85 -0.00 0.00 -1.51 -1.87 -1.88 116.25 116.76 3bdk h VAL 258 Ca 0.17 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 3bdk h VAL 258 Cb 0.98 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 3bdk h VAL 258 CO 0.98 0.06 -0.03 0.61 -1.23 0.00 0.00 177.57 177.96 3bdk n GLY 259 N -1.54 -1.45 0.08 5.19 0.00 -1.22 -2.26 105.19 103.99 3bdk n GLY 259 Ca 0.11 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3bdk n GLY 259 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3bdk h SER 260 N 0.01 0.00 -0.99 1.61 0.02 -1.68 -3.28 113.55 109.24 3bdk h SER 260 Ca 0.00 -0.41 0.07 0.00 -0.84 0.00 0.00 61.79 60.61 3bdk h SER 260 Cb 0.47 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 3bdk h SER 260 CO 0.00 1.11 0.64 1.88 -1.14 0.00 0.00 176.83 179.32 3bdk h TYR 261 N -1.00 1.17 -0.28 3.45 0.99 -1.56 -0.73 116.97 119.02 3bdk h TYR 261 Ca -0.16 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.60 3bdk h TYR 261 Cb 0.91 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 38.26 3bdk h TYR 261 CO 0.04 0.59 0.00 0.00 -0.00 0.00 0.00 178.16 178.79 3bdk n ALA 262 N -2.37 2.47 0.23 3.88 0.00 -0.96 -3.29 120.51 120.48 3bdk n ALA 262 Ca 0.16 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 53.12 3bdk n ALA 262 Cb 0.21 -1.02 0.52 0.00 0.00 0.00 0.00 19.45 19.17 3bdk n ALA 262 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3bdk h SER 263 N 2.13 0.00 -3.60 0.00 0.02 -1.18 -3.36 113.55 107.56 3bdk h SER 263 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 3bdk h SER 263 Cb 0.48 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.74 3bdk h SER 263 CO 0.00 0.20 -0.56 -0.62 -1.14 0.00 0.00 176.83 174.72 3bdk s ASP 264 N -6.18 5.45 0.35 3.07 -1.08 -1.21 -4.65 116.67 112.43 3bdk s ASP 264 Ca -0.00 -1.26 0.13 0.00 -0.52 0.00 0.00 52.55 50.90 3bdk s ASP 264 Cb 0.11 -1.92 0.97 0.00 -1.46 0.00 0.00 42.92 40.62 3bdk s ASP 264 CO 0.62 -0.40 1.74 -0.65 0.52 0.00 0.00 175.17 177.00 3bdk h PRO 265 N 8.29 0.49 -0.01 4.34 0.11 -1.85 0.15 132.00 143.52 3bdk h PRO 265 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3bdk h PRO 265 Cb 1.08 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3bdk h PRO 265 CO 0.65 0.32 0.98 1.17 -0.21 0.00 0.00 178.00 180.92 3bdk n LYS 266 N -4.80 0.03 -3.85 1.05 4.81 -1.26 -4.44 118.16 109.70 3bdk n LYS 266 Ca 0.27 0.93 -0.35 0.00 -0.87 0.00 0.00 58.31 58.29 3bdk n LYS 266 Cb 0.81 -2.52 -0.05 0.00 0.02 0.00 0.00 35.03 33.29 3bdk n LYS 266 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3bdk s ASN 267 N -2.98 6.42 -0.48 3.14 0.01 0.53 -5.08 114.94 116.50 3bdk s ASN 267 Ca -0.00 0.47 -0.03 0.00 -0.71 0.00 0.00 52.86 52.59 3bdk s ASN 267 Cb 0.00 -2.06 0.13 0.00 0.41 0.00 0.00 41.25 39.73 3bdk s ASN 267 CO 0.01 0.32 0.28 -0.62 -1.51 0.00 0.00 177.10 175.58 3bdk s ASP 268 N -1.51 5.22 0.29 -1.22 2.15 -1.26 -4.78 116.67 115.56 3bdk s ASP 268 Ca 0.23 -2.33 0.04 0.00 0.43 0.00 0.00 52.55 50.91 3bdk s ASP 268 Cb -0.13 -1.83 0.76 0.00 -0.30 0.00 0.00 42.92 41.42 3bdk s ASP 268 CO 0.12 -0.48 1.67 -0.37 -0.17 0.00 0.00 175.17 175.94 3bdk h VAL 269 N 5.98 0.37 -0.26 1.11 -1.51 -1.92 -1.93 116.25 118.09 3bdk h VAL 269 Ca -0.09 -0.10 -0.20 0.00 -1.23 0.00 0.00 66.70 65.09 3bdk h VAL 269 Cb 1.01 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 3bdk h VAL 269 CO 0.70 0.05 -0.60 -0.07 -1.23 0.00 0.00 177.57 176.42 3bdk h LEU 270 N 0.29 0.98 -0.28 4.19 3.38 -1.97 1.67 115.31 123.56 3bdk h LEU 270 Ca 0.58 -0.55 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 3bdk h LEU 270 Cb 1.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3bdk h LEU 270 CO -0.60 1.35 -0.57 0.00 0.09 0.00 0.00 178.44 178.71 3bdk h ALA 271 N 0.66 0.44 0.30 1.53 0.00 -1.94 0.11 119.26 120.37 3bdk h ALA 271 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3bdk h ALA 271 Cb 1.22 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3bdk h ALA 271 CO 0.13 0.68 -0.38 0.52 0.00 0.00 0.00 179.25 180.20 3bdk h MET 272 N 0.66 -0.70 -0.45 0.00 2.86 -1.09 0.70 114.93 116.91 3bdk h MET 272 Ca 0.01 0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 3bdk h MET 272 Cb 1.19 0.16 -0.09 0.00 0.06 0.00 0.00 31.60 32.92 3bdk h MET 272 CO 0.13 -0.47 -0.15 1.15 1.06 0.00 0.00 176.91 178.63 3bdk h THR 273 N -0.73 0.48 -0.20 2.22 2.02 0.26 -1.86 112.91 115.09 3bdk h THR 273 Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 3bdk h THR 273 Cb 0.68 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3bdk h THR 273 CO -0.11 0.00 -0.22 -0.08 0.37 0.00 0.00 175.52 175.48 3bdk h GLU 274 N -0.05 0.51 -0.15 6.66 4.81 0.00 0.22 114.58 126.60 3bdk h GLU 274 Ca 0.22 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3bdk h GLU 274 Cb 0.38 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 3bdk h GLU 274 CO -0.49 0.86 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.60 3bdk h TYR 275 N 0.19 -0.33 -0.43 0.92 3.20 0.48 3.01 116.97 124.01 3bdk h TYR 275 Ca 0.03 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.01 3bdk h TYR 275 Cb 0.78 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 39.14 3bdk h TYR 275 CO 0.08 -0.20 -0.10 0.00 -1.64 0.00 0.00 178.16 176.31 3bdk h ALA 276 N 0.94 0.30 -0.60 1.82 0.00 -1.17 0.35 119.26 120.89 3bdk h ALA 276 Ca 0.10 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3bdk h ALA 276 Cb 0.29 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3bdk h ALA 276 CO -0.24 -0.44 0.21 -0.07 0.00 0.00 0.00 179.25 178.71 3bdk h LEU 277 N 0.01 0.86 -1.52 0.00 3.38 0.44 -0.38 115.31 118.10 3bdk h LEU 277 Ca 0.21 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3bdk h LEU 277 Cb 0.32 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3bdk h LEU 277 CO -0.44 0.82 0.48 0.11 0.09 0.00 0.00 178.44 179.51 3bdk h LYS 278 N 0.85 0.50 -0.00 1.13 1.57 0.61 -2.39 116.57 118.84 3bdk h LYS 278 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3bdk h LYS 278 Cb 0.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3bdk h LYS 278 CO -0.01 0.33 -0.43 -2.13 -0.57 0.00 0.00 179.45 176.64 3bdk n ARG 279 N -4.49 0.36 -3.25 3.15 0.63 0.12 -4.97 116.66 108.21 3bdk n ARG 279 Ca 0.13 -0.22 -0.15 0.00 -0.92 0.00 0.00 57.85 56.69 3bdk n ARG 279 Cb 0.43 -1.50 0.08 0.00 0.45 0.00 0.00 32.46 31.92 3bdk n ARG 279 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3bdk n ASN 280 N -1.13 -2.18 -0.00 6.15 4.05 -0.24 -4.95 115.26 116.96 3bdk n ASN 280 Ca 0.08 -0.55 0.00 0.00 0.45 0.00 0.00 54.58 54.56 3bdk n ASN 280 Cb 0.34 -4.57 0.00 0.00 1.23 0.00 0.00 39.78 36.79 3bdk n ASN 280 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3bdk n ARG 281 N -3.72 1.45 -3.01 1.20 5.12 -0.70 -4.70 116.66 112.30 3bdk n ARG 281 Ca -0.25 -0.99 -0.41 0.00 -1.93 0.00 0.00 57.85 54.27 3bdk n ARG 281 Cb 0.65 -0.75 -0.05 0.00 -1.16 0.00 0.00 32.46 31.15 3bdk n ARG 281 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3bdk s ILE 282 N -0.49 4.92 -0.33 0.55 1.01 -1.26 -0.52 121.20 125.08 3bdk s ILE 282 Ca 0.00 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.06 3bdk s ILE 282 Cb 0.00 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 3bdk s ILE 282 CO 0.00 -0.01 0.29 0.59 0.00 0.00 0.00 174.94 175.81 3bdk n ASN 283 N 5.79 0.35 -3.63 3.58 5.03 -0.11 -4.90 115.26 121.37 3bdk n ASN 283 Ca 0.02 -0.67 -0.13 0.00 0.87 0.00 0.00 54.58 54.67 3bdk n ASN 283 Cb 0.48 0.97 -0.07 0.00 -1.02 0.00 0.00 39.78 40.15 3bdk n ASN 283 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3bdk s PHE 284 N -1.60 -0.82 -0.11 3.10 5.99 -1.08 -4.67 117.98 118.79 3bdk s PHE 284 Ca 0.03 1.94 -0.00 0.00 0.00 0.00 0.00 56.93 58.90 3bdk s PHE 284 Cb 0.05 0.32 -0.02 0.00 0.00 0.00 0.00 43.02 43.36 3bdk s PHE 284 CO 0.27 -0.40 -0.09 -1.64 -0.00 0.00 0.00 175.22 173.35 3bdk s MET 285 N 0.55 3.19 0.09 10.12 -1.94 -0.54 -0.77 119.30 129.99 3bdk s MET 285 Ca -0.01 -0.61 0.09 0.00 -1.71 0.00 0.00 55.69 53.44 3bdk s MET 285 Cb -0.05 -2.66 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 3bdk s MET 285 CO -0.02 0.39 -0.21 -1.01 -0.01 0.00 0.00 175.02 174.16 3bdk s HIS 286 N -0.07 2.47 -0.40 -0.03 3.76 -0.65 -2.36 115.29 118.01 3bdk s HIS 286 Ca -0.01 -0.30 0.10 0.00 -0.15 0.00 0.00 55.06 54.71 3bdk s HIS 286 Cb -0.14 -1.37 0.35 0.00 1.11 0.00 0.00 32.58 32.54 3bdk s HIS 286 CO 0.03 0.30 0.92 -2.37 -0.85 0.00 0.00 174.74 172.77 3bdk n THR 287 N 1.17 0.01 -4.02 1.30 5.66 -1.06 -3.10 114.28 114.25 3bdk n THR 287 Ca -0.16 -3.24 -0.28 0.00 -3.05 0.00 0.00 64.05 57.32 3bdk n THR 287 Cb 0.52 0.49 -0.05 0.00 -1.55 0.00 0.00 70.33 69.74 3bdk n THR 287 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bdk s ARG 288 N -1.45 3.12 -0.02 1.09 1.70 -1.22 -4.73 118.95 117.43 3bdk s ARG 288 Ca 0.32 -0.70 -0.02 0.00 -0.47 0.00 0.00 55.73 54.86 3bdk s ARG 288 Cb 0.34 -2.80 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 3bdk s ARG 288 CO -0.06 0.53 0.12 1.21 -1.08 0.00 0.00 175.30 176.02 3bdk s ASN 289 N -2.91 6.02 -0.06 -2.89 2.47 -1.26 -3.45 114.94 112.86 3bdk s ASN 289 Ca 0.32 0.26 -0.09 0.00 0.42 0.00 0.00 52.86 53.77 3bdk s ASN 289 Cb -0.11 -1.82 0.02 0.00 -1.45 0.00 0.00 41.25 37.88 3bdk s ASN 289 CO 0.25 0.29 0.24 0.54 -3.72 0.00 0.00 177.10 174.70 3bdk s VAL 290 N -1.21 0.03 -0.18 -5.21 0.11 -1.26 -1.85 120.40 110.82 3bdk s VAL 290 Ca 0.23 -0.23 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 3bdk s VAL 290 Cb -0.12 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 3bdk s VAL 290 CO 0.14 -0.12 0.07 0.28 -3.33 0.00 0.00 175.10 172.13 3bdk s THR 291 N -0.44 4.82 0.16 5.04 -1.32 -0.56 -2.52 115.64 120.83 3bdk s THR 291 Ca -0.05 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 3bdk s THR 291 Cb -0.04 -3.17 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 3bdk s THR 291 CO 0.01 0.46 0.04 0.00 -2.21 0.00 0.00 174.62 172.93 3bdk s ALA 292 N 0.34 1.13 0.00 11.08 0.00 -1.26 -1.61 121.76 131.44 3bdk s ALA 292 Ca 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.43 3bdk s ALA 292 Cb -0.12 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3bdk s ALA 292 CO -0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3bdk n GLY 293 N -0.19 0.86 0.34 0.00 0.00 -0.97 -4.96 105.19 100.27 3bdk n GLY 293 Ca -0.05 -0.70 0.17 0.00 0.00 0.00 0.00 46.02 45.44 3bdk n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdk h ALA 294 N 2.00 1.91 0.00 4.61 0.00 -2.01 -2.60 119.26 123.16 3bdk h ALA 294 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bdk h ALA 294 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3bdk h ALA 294 CO 0.00 -0.34 0.00 0.11 0.00 0.00 0.00 179.25 179.02 3bdk h TRP 295 N 0.00 0.00 0.00 0.00 5.08 -2.00 -3.50 115.95 115.53 3bdk h TRP 295 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.08 3bdk h TRP 295 Cb 0.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.72 3bdk h TRP 295 CO 0.00 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 3bdk n GLY 296 N 0.98 0.13 3.22 11.11 0.00 -0.98 -3.76 105.19 115.89 3bdk n GLY 296 Ca 0.04 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 3bdk n GLY 296 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bdk s PHE 297 N 0.00 -0.09 -0.10 1.61 -0.71 -1.14 -2.30 117.98 115.25 3bdk s PHE 297 Ca 0.00 0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 55.85 3bdk s PHE 297 Cb 0.00 0.06 0.05 0.00 -1.21 0.00 0.00 43.02 41.92 3bdk s PHE 297 CO 0.00 -0.44 0.22 -1.14 -1.34 0.00 0.00 175.22 172.52 3bdk s GLN 298 N -2.09 0.16 0.16 1.99 0.74 -0.63 0.58 119.66 120.57 3bdk s GLN 298 Ca -0.08 0.54 -0.31 0.00 0.05 0.00 0.00 55.36 55.56 3bdk s GLN 298 Cb -0.03 -0.13 -0.09 0.00 1.10 0.00 0.00 33.01 33.87 3bdk s GLN 298 CO -0.01 -0.20 1.39 -1.21 -0.55 0.00 0.00 175.29 174.71 3bdk s GLU 299 N 1.56 4.32 0.47 1.67 2.02 -0.54 -1.49 118.70 126.71 3bdk s GLU 299 Ca -0.06 2.13 0.05 0.00 0.02 0.00 0.00 54.97 57.11 3bdk s GLU 299 Cb -0.11 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 3bdk s GLU 299 CO -0.08 -0.40 0.18 0.95 0.02 0.00 0.00 175.26 175.93 3bdk s THR 300 N 0.69 1.84 0.84 3.63 -4.23 -0.77 -4.53 115.64 113.10 3bdk s THR 300 Ca 0.62 -1.75 -0.15 0.00 -1.18 0.00 0.00 61.69 59.24 3bdk s THR 300 Cb -0.38 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 3bdk s THR 300 CO 0.34 0.00 0.35 0.00 -0.54 0.00 0.00 174.62 174.77 3bdk n ALA 301 N -1.35 -2.33 0.24 3.99 0.00 -1.26 -4.31 120.51 115.48 3bdk n ALA 301 Ca -0.06 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.07 3bdk n ALA 301 Cb 0.65 -1.76 0.50 0.00 0.00 0.00 0.00 19.45 18.85 3bdk n ALA 301 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bdk h HIS 302 N -0.91 0.00 -2.17 0.00 -0.00 -1.93 -3.42 115.15 106.72 3bdk h HIS 302 Ca -0.44 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 59.31 3bdk h HIS 302 Cb 1.32 0.00 0.06 0.00 -0.00 0.00 0.00 27.41 28.79 3bdk h HIS 302 CO 0.35 0.16 0.64 -0.11 -0.00 0.00 0.00 177.93 178.98 3bdk n LEU 303 N -3.31 2.62 -0.35 2.43 7.94 -1.26 -4.68 117.00 120.39 3bdk n LEU 303 Ca 0.00 1.11 0.23 0.00 -1.11 0.00 0.00 56.01 56.24 3bdk n LEU 303 Cb 0.40 -1.35 0.48 0.00 0.53 0.00 0.00 43.42 43.48 3bdk n LEU 303 CO 0.32 -0.58 1.17 0.28 -1.11 0.00 0.00 177.39 177.47 3bdk h SER 304 N 5.10 0.52 -0.00 1.96 0.02 -1.87 0.68 113.55 119.95 3bdk h SER 304 Ca -0.45 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3bdk h SER 304 Cb 1.28 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.89 3bdk h SER 304 CO 0.82 -0.01 -0.02 1.67 -1.14 0.00 0.00 176.83 178.15 3bdk n GLN 305 N -4.85 1.76 0.14 3.45 7.27 -1.26 -3.20 117.38 120.69 3bdk n GLN 305 Ca 0.29 -1.16 0.05 0.00 0.07 0.00 0.00 57.00 56.25 3bdk n GLN 305 Cb 0.93 -1.48 0.04 0.00 2.41 0.00 0.00 30.24 32.14 3bdk n GLN 305 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3bdk h ALA 306 N 4.39 0.73 -3.00 1.69 0.00 -1.13 -3.48 119.26 118.46 3bdk h ALA 306 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3bdk h ALA 306 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3bdk h ALA 306 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.12 3bdk n GLY 307 N 1.22 5.29 0.37 0.00 0.00 -1.19 -4.78 105.19 106.10 3bdk n GLY 307 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.98 3bdk n GLY 307 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdk n ASP 308 N 0.00 1.66 -4.83 1.61 8.00 -1.05 -4.94 116.55 117.01 3bdk n ASP 308 Ca 0.00 -1.33 -0.38 0.00 0.71 0.00 0.00 54.79 53.80 3bdk n ASP 308 Cb 0.00 0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 3bdk n ASP 308 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bdk s ILE 309 N -1.94 4.86 -0.99 0.53 1.01 -1.26 -5.02 121.20 118.39 3bdk s ILE 309 Ca 0.14 1.01 -0.18 0.00 0.00 0.00 0.00 60.65 61.62 3bdk s ILE 309 Cb 0.13 -3.80 0.14 0.00 0.01 0.00 0.00 42.46 38.94 3bdk s ILE 309 CO 0.42 0.49 1.18 -0.62 0.00 0.00 0.00 174.94 176.42 3bdk s ASP 310 N -1.24 6.73 0.17 3.58 3.68 -1.26 -4.42 116.67 123.90 3bdk s ASP 310 Ca 0.29 -2.26 -0.14 0.00 2.13 0.00 0.00 52.55 52.57 3bdk s ASP 310 Cb -0.18 -2.39 0.11 0.00 -1.45 0.00 0.00 42.92 39.01 3bdk s ASP 310 CO 0.17 -0.98 1.79 0.24 0.13 0.00 0.00 175.17 176.52 3bdk h MET 311 N 8.45 0.47 -0.89 4.34 2.86 -1.88 -2.20 114.93 126.08 3bdk h MET 311 Ca 0.19 -0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.96 3bdk h MET 311 Cb 0.99 -0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.45 3bdk h MET 311 CO 1.13 0.31 0.48 -0.97 1.06 0.00 0.00 176.91 178.91 3bdk h ASN 312 N 0.48 0.59 -0.26 1.22 -0.73 -1.97 -0.50 115.58 114.42 3bdk h ASN 312 Ca 0.21 0.09 -0.07 0.00 1.87 0.00 0.00 56.30 58.40 3bdk h ASN 312 Cb 0.11 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 3bdk h ASN 312 CO -0.14 0.24 -0.05 0.00 -0.37 0.00 0.00 177.43 177.11 3bdk h ALA 313 N 1.58 1.21 0.90 1.57 0.00 -1.84 0.12 119.26 122.80 3bdk h ALA 313 Ca 0.49 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3bdk h ALA 313 Cb 0.70 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3bdk h ALA 313 CO -0.37 0.51 -0.43 0.28 0.00 0.00 0.00 179.25 179.25 3bdk h VAL 314 N 0.58 0.00 -0.22 0.00 2.07 -0.56 -2.50 116.25 115.62 3bdk h VAL 314 Ca 0.11 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 3bdk h VAL 314 Cb 0.45 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3bdk h VAL 314 CO 0.02 0.00 -0.26 1.62 0.02 0.00 0.00 177.57 178.97 3bdk h VAL 315 N -1.21 1.26 -0.96 2.57 3.04 -1.37 0.41 116.25 120.00 3bdk h VAL 315 Ca -0.12 -1.25 0.22 0.00 -1.01 0.00 0.00 66.70 64.54 3bdk h VAL 315 Cb 0.92 1.38 -0.08 0.00 -2.01 0.00 0.00 31.29 31.50 3bdk h VAL 315 CO 0.20 0.39 0.62 0.50 -1.01 0.00 0.00 177.57 178.27 3bdk h LYS 316 N 0.37 0.47 -0.32 4.17 3.64 -0.78 0.36 116.57 124.48 3bdk h LYS 316 Ca 0.06 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3bdk h LYS 316 Cb 0.65 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3bdk h LYS 316 CO 0.05 0.31 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.45 3bdk h LEU 317 N 0.48 0.57 -0.80 5.20 3.38 -0.45 -1.21 115.31 122.49 3bdk h LEU 317 Ca 0.52 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3bdk h LEU 317 Cb 1.20 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 3bdk h LEU 317 CO -0.24 0.75 0.52 -0.07 0.09 0.00 0.00 178.44 179.48 3bdk h LEU 318 N 0.37 0.92 0.70 1.67 3.38 -0.74 -1.22 115.31 120.38 3bdk h LEU 318 Ca 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3bdk h LEU 318 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3bdk h LEU 318 CO 0.02 0.68 -0.49 0.58 0.09 0.00 0.00 178.44 179.31 3bdk h VAL 319 N 1.08 0.02 -0.89 1.22 2.07 -0.25 -1.48 116.25 118.02 3bdk h VAL 319 Ca 0.29 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.98 3bdk h VAL 319 Cb -0.11 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 29.61 3bdk h VAL 319 CO -0.06 0.00 0.58 0.44 0.02 0.00 0.00 177.57 178.55 3bdk h ASP 320 N -1.14 0.56 -0.39 0.57 3.32 -0.97 -1.90 116.42 116.47 3bdk h ASP 320 Ca -0.09 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3bdk h ASP 320 Cb 0.94 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3bdk h ASP 320 CO 0.05 0.26 0.00 -1.22 -1.72 0.00 0.00 179.24 176.61 3bdk n TYR 321 N -4.56 0.80 -4.27 4.55 4.02 -0.48 -4.91 117.16 112.31 3bdk n TYR 321 Ca 0.18 -0.33 -0.32 0.00 -0.01 0.00 0.00 57.90 57.42 3bdk n TYR 321 Cb 0.56 -0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.66 3bdk n TYR 321 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3bdk n ASP 322 N 0.60 0.50 -4.76 7.72 8.00 -0.71 -4.86 116.55 123.03 3bdk n ASP 322 Ca 0.15 -1.26 -0.41 0.00 0.71 0.00 0.00 54.79 53.98 3bdk n ASP 322 Cb 0.52 -1.56 -0.02 0.00 -0.02 0.00 0.00 41.12 40.04 3bdk n ASP 322 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3bdk s TRP 323 N -4.29 3.01 -0.22 1.24 -0.00 -0.58 -4.02 118.94 114.08 3bdk s TRP 323 Ca 0.04 1.29 0.01 0.00 -0.00 0.00 0.00 56.10 57.45 3bdk s TRP 323 Cb -0.02 -3.74 0.05 0.00 -0.00 0.00 0.00 33.47 29.75 3bdk s TRP 323 CO 0.98 -2.15 -0.10 -0.65 -0.00 0.00 0.00 176.95 175.03 3bdk s GLN 324 N -1.40 2.08 0.00 5.86 -0.21 -1.26 -0.86 119.66 123.88 3bdk s GLN 324 Ca 0.52 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 54.92 3bdk s GLN 324 Cb -0.41 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.04 3bdk s GLN 324 CO 0.51 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 3bdk n GLY 325 N 4.62 -0.74 3.58 3.09 0.00 -0.45 -4.98 105.19 110.31 3bdk n GLY 325 Ca -0.15 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 3bdk n GLY 325 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bdk s SER 326 N -4.00 4.52 -0.03 1.61 0.01 -1.26 -0.55 113.70 114.00 3bdk s SER 326 Ca 0.00 -0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.11 3bdk s SER 326 Cb 0.00 -1.01 -0.00 0.00 0.21 0.00 0.00 66.02 65.21 3bdk s SER 326 CO 0.00 0.27 -0.14 -0.22 0.41 0.00 0.00 173.24 173.56 3bdk s LEU 327 N -1.47 1.90 0.04 2.44 0.20 -0.85 -1.47 118.68 119.45 3bdk s LEU 327 Ca 0.17 -0.29 0.06 0.00 0.69 0.00 0.00 54.13 54.76 3bdk s LEU 327 Cb -0.11 -0.81 -0.03 0.00 -0.43 0.00 0.00 46.19 44.80 3bdk s LEU 327 CO 0.08 0.13 -0.13 -0.13 -0.29 0.00 0.00 176.35 176.01 3bdk s ARG 328 N 0.01 2.24 0.52 1.98 0.52 -0.99 -0.35 118.95 122.89 3bdk s ARG 328 Ca -0.02 -0.90 0.19 0.00 -0.52 0.00 0.00 55.73 54.49 3bdk s ARG 328 Cb -0.10 -2.31 1.31 0.00 0.52 0.00 0.00 34.95 34.38 3bdk s ARG 328 CO 0.01 0.56 2.09 -1.00 0.02 0.00 0.00 175.30 176.98 3bdk h PRO 329 N 4.43 0.01 -4.01 3.54 0.13 -1.86 -2.81 132.00 131.43 3bdk h PRO 329 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3bdk h PRO 329 Cb 1.16 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3bdk h PRO 329 CO 0.50 0.00 -0.71 -3.47 -0.23 0.00 0.00 178.00 174.10 3bdk n ASP 330 N -4.48 -6.70 -1.63 1.44 -0.08 -1.26 -3.39 116.55 100.45 3bdk n ASP 330 Ca 0.02 1.30 0.00 0.00 -1.51 0.00 0.00 54.79 54.60 3bdk n ASP 330 Cb 0.28 -4.18 0.00 0.00 2.34 0.00 0.00 41.12 39.57 3bdk n ASP 330 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3bdk n HIS 331 N 1.41 -4.18 -4.34 -0.67 8.25 -1.21 -4.40 115.22 110.07 3bdk n HIS 331 Ca 0.00 2.24 -0.20 0.00 -0.26 0.00 0.00 57.72 59.50 3bdk n HIS 331 Cb 0.00 -3.38 -0.08 0.00 1.12 0.00 0.00 29.99 27.64 3bdk n HIS 331 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3bdk s GLY 332 N -4.16 2.30 0.47 -1.41 0.00 0.22 -4.54 107.32 100.21 3bdk s GLY 332 Ca 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 44.72 42.96 3bdk s GLY 332 CO 0.00 -1.57 0.67 0.50 0.00 0.00 0.00 173.10 172.70 3bdk s ARG 333 N -3.62 2.82 -0.30 2.90 0.52 -1.26 -4.58 118.95 115.43 3bdk s ARG 333 Ca 0.36 -0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 54.55 3bdk s ARG 333 Cb 0.03 -2.60 -0.00 0.00 0.52 0.00 0.00 34.95 32.90 3bdk s ARG 333 CO 0.22 -0.41 0.72 0.50 0.02 0.00 0.00 175.30 176.34 3bdk s ARG 334 N -4.56 3.95 0.06 3.54 3.52 -1.15 -4.45 118.95 119.85 3bdk s ARG 334 Ca 0.53 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.62 3bdk s ARG 334 Cb -0.10 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.54 3bdk s ARG 334 CO 0.36 -0.62 -0.08 0.96 -0.81 0.00 0.00 175.30 175.11 3bdk s ILE 335 N 2.79 0.63 0.00 4.11 -4.36 -1.26 -2.97 121.20 120.13 3bdk s ILE 335 Ca 0.29 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 3bdk s ILE 335 Cb -0.15 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.71 3bdk s ILE 335 CO 0.12 -0.46 0.00 0.79 0.24 0.00 0.00 174.94 175.63 3bdk n TRP 336 N 1.16 -1.68 0.64 1.37 8.01 -1.26 -2.83 117.44 122.84 3bdk n TRP 336 Ca -0.21 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 3bdk n TRP 336 Cb 0.56 0.27 0.00 0.00 -2.01 0.00 0.00 31.31 30.12 3bdk n TRP 336 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bdk n GLY 337 N 0.00 1.02 3.54 6.99 0.00 -1.26 -4.86 105.19 110.62 3bdk n GLY 337 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3bdk n GLY 337 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bdk n ASP 338 N 0.28 1.87 -2.20 1.61 2.03 -1.13 -4.76 116.55 114.26 3bdk n ASP 338 Ca 0.00 -0.58 -0.29 0.00 0.52 0.00 0.00 54.79 54.44 3bdk n ASP 338 Cb 0.19 -1.48 0.08 0.00 -0.72 0.00 0.00 41.12 39.18 3bdk n ASP 338 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bdk n GLN 339 N 8.82 2.42 -2.85 -0.67 1.13 -1.26 -4.86 117.38 120.11 3bdk n GLN 339 Ca 0.43 -2.82 -0.41 0.00 -1.94 0.00 0.00 57.00 52.26 3bdk n GLN 339 Cb 0.45 -2.10 -0.04 0.00 0.11 0.00 0.00 30.24 28.66 3bdk n GLN 339 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3bdk s THR 340 N -4.04 4.90 0.00 5.09 2.01 -1.26 -5.01 115.64 117.32 3bdk s THR 340 Ca 0.55 1.76 0.00 0.00 0.31 0.00 0.00 61.69 64.31 3bdk s THR 340 Cb 0.44 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3bdk s THR 340 CO 0.00 0.10 0.00 0.29 -0.69 0.00 0.00 174.62 174.32 3bdk n LYS 341 N 4.60 0.00 -0.14 4.92 4.01 -1.26 -4.70 118.16 125.59 3bdk n LYS 341 Ca 0.04 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.79 3bdk n LYS 341 Cb 0.50 -0.33 -0.01 0.00 -0.51 0.00 0.00 35.03 34.68 3bdk n LYS 341 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3bdk n THR 342 N 0.00 0.00 0.00 -0.18 5.66 -1.26 -4.84 114.28 113.66 3bdk n THR 342 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3bdk n THR 342 Cb 0.00 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 3bdk n THR 342 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3bdk n PRO 343 N 0.31 0.00 -0.92 1.09 -0.02 -1.26 -2.23 135.00 131.96 3bdk n PRO 343 Ca 0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 3bdk n PRO 343 Cb -0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 3bdk n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdk n GLY 344 N 0.00 3.59 0.41 -1.23 0.00 -1.26 -4.31 105.19 102.39 3bdk n GLY 344 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.10 3bdk n GLY 344 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bdk n TYR 345 N 1.05 0.00 -2.33 1.61 4.02 -0.95 -0.61 117.16 119.96 3bdk n TYR 345 Ca 0.28 -0.95 -0.41 0.00 -0.01 0.00 0.00 57.90 56.81 3bdk n TYR 345 Cb 0.60 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.73 3bdk n TYR 345 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3bdk s GLY 346 N -2.63 2.85 0.22 2.72 0.00 -1.26 -4.88 107.32 104.35 3bdk s GLY 346 Ca 0.29 1.03 -0.08 0.00 0.00 0.00 0.00 44.72 45.96 3bdk s GLY 346 CO -0.02 1.78 1.72 -2.00 0.00 0.00 0.00 173.10 174.58 3bdk h LEU 347 N 4.35 0.13 0.50 0.66 5.85 -1.95 -3.34 115.31 121.51 3bdk h LEU 347 Ca -0.46 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3bdk h LEU 347 Cb 1.22 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3bdk h LEU 347 CO 0.70 0.06 -0.44 1.88 -0.34 0.00 0.00 178.44 180.30 3bdk h TYR 348 N 0.35 -1.19 0.00 1.25 0.05 -1.93 -0.76 116.97 114.74 3bdk h TYR 348 Ca 0.35 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.95 3bdk h TYR 348 Cb 0.52 0.46 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 3bdk h TYR 348 CO -0.21 -0.61 -0.88 0.22 -1.05 0.00 0.00 178.16 175.63 3bdk h ASP 349 N -0.93 0.00 -0.25 3.88 3.58 -1.78 -1.62 116.42 119.30 3bdk h ASP 349 Ca -0.05 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 3bdk h ASP 349 Cb 0.81 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 3bdk h ASP 349 CO -0.03 0.88 0.13 0.03 -2.88 0.00 0.00 179.24 177.37 3bdk h ARG 350 N 0.00 0.35 -0.20 0.28 3.08 -1.67 -0.08 114.38 116.14 3bdk h ARG 350 Ca -0.01 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3bdk h ARG 350 Cb 1.56 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.48 3bdk h ARG 350 CO 0.11 0.33 -0.35 0.00 -1.07 0.00 0.00 179.97 179.00 3bdk h ALA 351 N 1.00 -0.38 -0.22 0.04 0.00 -0.89 0.34 119.26 119.14 3bdk h ALA 351 Ca 0.09 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3bdk h ALA 351 Cb 0.09 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3bdk h ALA 351 CO -0.01 -0.81 0.28 -0.07 0.00 0.00 0.00 179.25 178.64 3bdk h LEU 352 N -0.38 0.00 -0.01 0.00 3.38 -0.77 -0.89 115.31 116.64 3bdk h LEU 352 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3bdk h LEU 352 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3bdk h LEU 352 CO -0.41 0.00 -0.40 1.23 0.09 0.00 0.00 178.44 178.95 3bdk h GLY 353 N 0.00 0.32 0.06 0.83 0.00 0.90 -3.26 103.07 101.92 3bdk h GLY 353 Ca 0.11 -0.54 0.05 0.00 0.00 0.00 0.00 47.33 46.94 3bdk h GLY 353 CO -0.00 0.48 -0.35 0.00 0.00 0.00 0.00 176.54 176.67 3bdk h ALA 354 N 0.30 -0.39 -0.53 3.60 0.00 0.36 -1.74 119.26 120.86 3bdk h ALA 354 Ca -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3bdk h ALA 354 Cb 1.13 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 3bdk h ALA 354 CO 0.08 -0.82 0.28 1.79 0.00 0.00 0.00 179.25 180.58 3bdk h THR 355 N -0.39 1.17 -0.80 0.00 1.35 -1.67 -0.00 112.91 112.56 3bdk h THR 355 Ca 0.11 -0.44 0.11 0.00 -0.55 0.00 0.00 66.41 65.63 3bdk h THR 355 Cb 0.56 0.47 -0.08 0.00 -1.73 0.00 0.00 68.15 67.37 3bdk h THR 355 CO -0.40 0.19 0.43 0.22 -0.25 0.00 0.00 175.52 175.71 3bdk h TYR 356 N 0.74 0.77 -0.00 4.73 3.20 -1.53 -0.53 116.97 124.33 3bdk h TYR 356 Ca 0.19 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 3bdk h TYR 356 Cb 0.04 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3bdk h TYR 356 CO 0.00 0.27 -0.50 0.74 -1.64 0.00 0.00 178.16 177.03 3bdk h PHE 357 N 0.69 0.01 -0.08 -3.82 0.04 -0.15 -2.00 116.94 111.63 3bdk h PHE 357 Ca 0.40 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.20 3bdk h PHE 357 Cb 0.45 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 3bdk h PHE 357 CO -0.08 0.50 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.10 3bdk h ASN 358 N 0.00 -0.37 -0.34 2.17 2.35 0.00 0.28 115.58 119.67 3bdk h ASN 358 Ca -0.00 0.07 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 3bdk h ASN 358 Cb 0.89 0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.35 3bdk h ASN 358 CO 0.07 -0.17 -0.26 1.23 -1.65 0.00 0.00 177.43 176.65 3bdk h GLY 359 N -0.17 -0.12 1.16 2.83 0.00 -0.98 0.41 103.07 106.20 3bdk h GLY 359 Ca 0.07 0.33 -0.17 0.00 0.00 0.00 0.00 47.33 47.56 3bdk h GLY 359 CO -0.18 -0.21 -0.44 1.41 0.00 0.00 0.00 176.54 177.13 3bdk h LEU 360 N -0.22 0.98 -0.71 3.11 3.38 -0.98 -1.75 115.31 119.12 3bdk h LEU 360 Ca 0.17 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 3bdk h LEU 360 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3bdk h LEU 360 CO -0.47 1.27 -0.30 0.22 0.09 0.00 0.00 178.44 179.25 3bdk h TYR 361 N 0.72 0.75 -0.00 1.13 5.03 -0.31 -2.27 116.97 122.03 3bdk h TYR 361 Ca 0.05 -0.19 -0.02 0.00 2.58 0.00 0.00 58.73 61.15 3bdk h TYR 361 Cb 1.04 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.15 3bdk h TYR 361 CO 0.06 0.88 -0.07 1.49 -1.32 0.00 0.00 178.16 179.21 3bdk h GLU 362 N 0.56 0.05 0.06 1.82 4.81 -0.78 -0.35 114.58 120.75 3bdk h GLU 362 Ca 0.07 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3bdk h GLU 362 Cb 0.80 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.15 3bdk h GLU 362 CO 0.07 0.80 -0.37 0.00 -0.73 0.00 0.00 179.01 178.78 3bdk h ALA 363 N 0.25 -0.60 -0.51 2.92 0.00 -1.37 -0.58 119.26 119.38 3bdk h ALA 363 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3bdk h ALA 363 Cb 0.82 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3bdk h ALA 363 CO 0.01 -0.91 0.23 -0.91 0.00 0.00 0.00 179.25 177.67 3bdk h ASN 364 N -0.56 0.65 -0.98 0.00 2.35 -1.47 0.28 115.58 115.84 3bdk h ASN 364 Ca 0.04 -0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3bdk h ASN 364 Cb 0.62 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 3bdk h ASN 364 CO -0.25 0.57 0.64 0.24 -1.65 0.00 0.00 177.43 176.98 3bdk h MET 365 N 0.72 1.20 -0.00 0.81 2.86 -0.61 -2.47 114.93 117.43 3bdk h MET 365 Ca 0.18 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3bdk h MET 365 Cb 0.10 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 31.50 3bdk h MET 365 CO -0.02 0.79 -0.26 0.00 1.06 0.00 0.00 176.91 178.48 3bdk h ARG 366 N 1.23 0.18 -0.80 1.72 2.47 0.22 0.38 114.38 119.78 3bdk h ARG 366 Ca 0.39 -0.19 0.23 0.00 -1.26 0.00 0.00 59.98 59.16 3bdk h ARG 366 Cb 0.01 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 3bdk h ARG 366 CO -0.13 0.92 0.68 0.00 0.56 0.00 0.00 179.97 182.00 3bdk h ALA 367 N 0.26 2.67 -0.43 0.04 0.00 -0.46 0.72 119.26 122.05 3bdk h ALA 367 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3bdk h ALA 367 Cb 1.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3bdk h ALA 367 CO 0.05 -1.09 0.00 0.00 0.00 0.00 0.00 179.25 178.21 3bdk n ALA 368 N -2.55 2.44 -2.49 0.00 0.00 -0.94 -4.90 120.51 112.07 3bdk n ALA 368 Ca 0.17 -0.86 -0.19 0.00 0.00 0.00 0.00 53.44 52.55 3bdk n ALA 368 Cb 0.96 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3bdk n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdk n GLY 369 N 1.34 -0.40 3.83 0.00 0.00 0.25 -5.00 105.19 105.20 3bdk n GLY 369 Ca 0.18 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3bdk n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdk s LYS 370 N -5.08 2.97 -0.30 1.61 1.02 0.13 -5.01 119.74 115.08 3bdk s LYS 370 Ca 0.06 -0.94 -0.06 0.00 0.02 0.00 0.00 55.97 55.06 3bdk s LYS 370 Cb -0.03 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.67 3bdk s LYS 370 CO 0.08 0.44 0.06 -0.08 -0.92 0.00 0.00 175.35 174.93 3bdk s THR 371 N -1.95 3.73 0.51 2.17 -1.32 -1.26 -3.70 115.64 113.82 3bdk s THR 371 Ca 0.32 -0.86 -0.20 0.00 -1.21 0.00 0.00 61.69 59.74 3bdk s THR 371 Cb -0.09 -2.97 -0.08 0.00 -1.51 0.00 0.00 72.50 67.86 3bdk s THR 371 CO 0.25 0.04 1.07 -2.16 -2.21 0.00 0.00 174.62 171.60 3bdk s PRO 372 N 1.44 3.65 -0.00 7.08 0.04 -1.26 -5.06 135.00 140.89 3bdk s PRO 372 Ca 0.01 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.55 3bdk s PRO 372 Cb -0.18 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 3bdk s PRO 372 CO 0.01 -0.58 -0.15 0.34 0.04 0.00 0.00 177.00 176.67 3bdk s ASP 373 N -1.90 1.73 -0.04 6.66 2.15 -1.26 -5.03 116.67 118.98 3bdk s ASP 373 Ca 0.69 -0.30 0.06 0.00 0.43 0.00 0.00 52.55 53.43 3bdk s ASP 373 Cb -0.19 -0.18 0.09 0.00 -0.30 0.00 0.00 42.92 42.34 3bdk s ASP 373 CO 0.22 0.16 0.98 0.49 -0.17 0.00 0.00 175.17 176.85 3bdk n PHE 374 N 2.57 0.00 -0.96 -5.34 3.72 -1.26 -4.87 117.46 111.31 3bdk n PHE 374 Ca -0.15 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.71 3bdk n PHE 374 Cb 0.55 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3bdk n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bdk n GLY 375 N -0.67 0.63 3.65 1.37 0.00 -1.26 -4.63 105.19 104.28 3bdk n GLY 375 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3bdk n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdk s ILE 376 N -2.68 3.97 -0.16 -0.61 1.01 -1.26 -4.87 121.20 116.60 3bdk s ILE 376 Ca 0.00 1.14 0.15 0.00 0.00 0.00 0.00 60.65 61.94 3bdk s ILE 376 Cb 0.00 -3.83 -0.21 0.00 0.01 0.00 0.00 42.46 38.43 3bdk s ILE 376 CO 0.00 -0.21 0.08 0.29 0.00 0.00 0.00 174.94 175.10 3bdk n LYS 377 N 7.08 1.24 -4.31 2.79 4.76 -1.26 -4.96 118.16 123.48 3bdk n LYS 377 Ca 0.16 -0.02 -0.19 0.00 -2.87 0.00 0.00 58.31 55.39 3bdk n LYS 377 Cb 0.45 -1.43 -0.15 0.00 -1.84 0.00 0.00 35.03 32.06 3bdk n LYS 377 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bdk s ALA 378 N -2.45 0.75 -0.08 7.82 0.00 -1.26 -5.04 121.76 121.50 3bdk s ALA 378 Ca -0.08 -0.27 0.14 0.00 0.00 0.00 0.00 51.96 51.74 3bdk s ALA 378 Cb 0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 3bdk s ALA 378 CO 0.69 0.12 1.12 0.87 0.00 0.00 0.00 175.76 178.55 3bdk h LYS 379 N 6.41 0.00 -3.93 0.00 1.57 -2.03 -3.48 116.57 115.11 3bdk h LYS 379 Ca -0.33 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.31 3bdk h LYS 379 Cb 1.17 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.30 3bdk h LYS 379 CO 0.49 0.53 -0.61 0.95 -0.57 0.00 0.00 179.45 180.24 3bdk s THR 380 N -2.86 0.14 -0.31 -0.16 -4.23 -1.26 -5.13 115.64 101.83 3bdk s THR 380 Ca 0.00 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3bdk s THR 380 Cb 0.08 -0.75 0.08 0.00 1.34 0.00 0.00 72.50 73.25 3bdk s THR 380 CO 0.79 -0.62 0.00 -0.69 -0.54 0.00 0.00 174.62 173.56 3bdk s VAL 381 N -2.34 2.53 0.00 2.29 1.01 -1.26 -4.80 120.40 117.83 3bdk s VAL 381 Ca -0.07 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.06 3bdk s VAL 381 Cb -0.03 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3bdk s VAL 381 CO -0.04 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.37 3bdk n GLY 382 N 4.44 0.60 0.00 4.51 0.00 -1.26 -5.07 105.19 108.42 3bdk n GLY 382 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3bdk n GLY 382 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bdk n THR 383 N -1.30 0.00 0.00 2.61 -2.24 -1.26 -5.17 114.28 106.92 3bdk n THR 383 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3bdk n THR 383 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3bdk n THR 383 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bdk n LYS 384 N 0.00 0.00 0.00 -0.78 4.76 -1.26 -5.12 118.16 115.76 3bdk n LYS 384 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3bdk n LYS 384 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3bdk n LYS 384 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12