#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk9 n GLY -7 N 0.00 -0.29 3.78 -5.12 0.00 -1.26 -5.14 105.19 97.16 2dk9 n GLY -7 Ca 0.00 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 2dk9 n GLY -7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dk9 s HIS -6 N 0.00 2.74 0.35 1.61 0.09 -1.26 -5.06 115.29 113.76 2dk9 s HIS -6 Ca 0.00 1.55 0.01 0.00 -0.00 0.00 0.00 55.06 56.62 2dk9 s HIS -6 Cb 0.00 -3.21 0.01 0.00 -0.00 0.00 0.00 32.58 29.38 2dk9 s HIS -6 CO 0.00 -1.44 0.12 1.58 -0.00 0.00 0.00 174.74 175.00 2dk9 n HIS -5 N -1.48 0.06 -3.98 1.40 -0.00 -1.26 -5.17 115.22 104.80 2dk9 n HIS -5 Ca 0.11 -1.63 -0.09 0.00 -0.00 0.00 0.00 57.72 56.11 2dk9 n HIS -5 Cb 0.51 -0.26 -0.08 0.00 -0.00 0.00 0.00 29.99 30.17 2dk9 n HIS -5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dk9 s HIS -4 N -2.05 0.43 0.03 1.57 0.09 -1.26 -5.18 115.29 108.92 2dk9 s HIS -4 Ca 0.09 -0.82 0.00 0.00 -0.00 0.00 0.00 55.06 54.33 2dk9 s HIS -4 Cb -0.01 -0.14 -0.00 0.00 -0.00 0.00 0.00 32.58 32.43 2dk9 s HIS -4 CO 0.06 -0.64 0.03 1.58 -0.00 0.00 0.00 174.74 175.77 2dk9 n HIS -3 N -0.15 -0.22 -0.09 1.40 -0.00 -1.26 -5.11 115.22 109.79 2dk9 n HIS -3 Ca -0.09 -0.26 -0.11 0.00 -0.00 0.00 0.00 57.72 57.26 2dk9 n HIS -3 Cb 0.63 0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 30.62 2dk9 n HIS -3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dk9 n HIS -2 N -0.06 0.00 -3.34 1.57 8.25 -1.26 -4.99 115.22 115.39 2dk9 n HIS -2 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2dk9 n HIS -2 Cb 0.06 -0.53 -0.07 0.00 1.12 0.00 0.00 29.99 30.56 2dk9 n HIS -2 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2dk9 s HIS -1 N -2.83 -0.84 0.09 4.41 5.65 -1.26 -5.15 115.29 115.35 2dk9 s HIS -1 Ca -0.29 0.50 -0.22 0.00 0.25 0.00 0.00 55.06 55.31 2dk9 s HIS -1 Cb 0.05 -0.11 0.05 0.00 -1.18 0.00 0.00 32.58 31.39 2dk9 s HIS -1 CO 0.42 -0.84 0.53 1.41 -0.65 0.00 0.00 174.74 175.60 2dk9 s MET 0 N 2.52 1.11 0.00 2.88 -2.45 -1.26 -5.03 119.30 117.08 2dk9 s MET 0 Ca 0.11 -0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.18 2dk9 s MET 0 Cb -0.14 0.51 0.00 0.00 1.25 0.00 0.00 34.83 36.45 2dk9 s MET 0 CO -0.23 -0.43 0.00 0.41 1.05 0.00 0.00 175.02 175.81 2dk9 n GLY 1 N 0.09 2.95 0.27 2.11 0.00 -1.26 -4.93 105.19 104.41 2dk9 n GLY 1 Ca -0.18 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.43 2dk9 n GLY 1 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dk9 h SER 2 N 0.00 0.32 0.24 1.61 0.87 -1.99 0.07 113.55 114.68 2dk9 h SER 2 Ca 0.00 -0.04 -0.27 0.00 -1.23 0.00 0.00 61.79 60.24 2dk9 h SER 2 Cb 0.00 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 61.89 2dk9 h SER 2 CO 0.00 0.37 -1.14 0.00 -0.53 0.00 0.00 176.83 175.53 2dk9 h ALA 3 N 1.67 0.12 0.00 6.23 0.00 -1.97 -3.12 119.26 122.20 2dk9 h ALA 3 Ca 0.08 -0.76 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 2dk9 h ALA 3 Cb 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2dk9 h ALA 3 CO 0.00 0.76 -0.56 0.78 0.00 0.00 0.00 179.25 180.24 2dk9 h GLY 4 N 0.75 0.00 0.59 0.00 0.00 -1.86 -2.53 103.07 100.02 2dk9 h GLY 4 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2dk9 h GLY 4 CO 0.21 0.00 -0.09 -0.91 0.00 0.00 0.00 176.54 175.75 2dk9 h THR 5 N 0.00 0.91 -0.22 4.70 1.35 -1.04 -2.61 112.91 116.00 2dk9 h THR 5 Ca -0.01 -0.80 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 2dk9 h THR 5 Cb 1.09 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2dk9 h THR 5 CO 0.07 0.17 -0.05 1.56 -0.25 0.00 0.00 175.52 177.03 2dk9 h GLN 6 N -0.67 0.33 -0.26 4.72 7.50 -1.60 -2.67 115.11 122.45 2dk9 h GLN 6 Ca -0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.05 2dk9 h GLN 6 Cb 0.48 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 2dk9 h GLN 6 CO 0.04 0.39 0.12 1.49 -1.50 0.00 0.00 178.83 179.38 2dk9 h GLU 7 N 0.32 0.37 -0.10 1.46 4.57 -1.42 -1.09 114.58 118.69 2dk9 h GLU 7 Ca 0.07 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 2dk9 h GLU 7 Cb 0.29 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2dk9 h GLU 7 CO 0.01 0.38 -0.18 1.05 -1.18 0.00 0.00 179.01 179.09 2dk9 h GLU 8 N 0.28 0.16 -0.05 1.92 4.11 -1.22 -1.50 114.58 118.28 2dk9 h GLU 8 Ca 0.09 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 2dk9 h GLU 8 Cb 0.13 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2dk9 h GLU 8 CO -0.01 0.35 -0.07 1.25 0.07 0.00 0.00 179.01 180.60 2dk9 h LEU 9 N 0.16 0.15 -1.24 3.06 5.85 -1.14 -2.51 115.31 119.63 2dk9 h LEU 9 Ca 0.03 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 2dk9 h LEU 9 Cb 0.41 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2dk9 h LEU 9 CO 0.03 0.65 0.06 0.25 -0.34 0.00 0.00 178.44 179.08 2dk9 h LEU 10 N -0.34 0.54 -0.59 2.25 6.46 -1.06 -1.88 115.31 120.70 2dk9 h LEU 10 Ca 0.01 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.60 2dk9 h LEU 10 Cb 0.61 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 2dk9 h LEU 10 CO 0.02 0.57 0.06 0.03 -0.62 0.00 0.00 178.44 178.50 2dk9 h ARG 11 N 0.57 1.00 -0.27 1.25 2.47 -1.26 -1.76 114.38 116.37 2dk9 h ARG 11 Ca 0.13 -0.29 -0.06 0.00 -1.26 0.00 0.00 59.98 58.50 2dk9 h ARG 11 Cb 0.27 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2dk9 h ARG 11 CO 0.00 0.96 -0.08 2.35 0.56 0.00 0.00 179.97 183.76 2dk9 h TRP 12 N 0.89 0.60 -0.46 3.04 7.01 -1.08 -2.24 115.95 123.71 2dk9 h TRP 12 Ca 0.17 -0.13 0.01 0.00 2.11 0.00 0.00 58.89 61.05 2dk9 h TRP 12 Cb 0.47 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 2dk9 h TRP 12 CO 0.03 0.75 0.30 0.00 -2.79 0.00 0.00 178.44 176.73 2dk9 h GLN 14 N 0.61 0.93 -0.27 0.00 4.15 -1.29 -0.84 115.11 118.40 2dk9 h GLN 14 Ca 0.17 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 2dk9 h GLN 14 Cb -0.06 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 2dk9 h GLN 14 CO -0.05 0.74 0.01 1.49 -1.93 0.00 0.00 178.83 179.09 2dk9 h GLU 15 N 0.92 0.47 0.00 1.69 4.81 -0.89 -2.57 114.58 119.00 2dk9 h GLU 15 Ca 0.22 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2dk9 h GLU 15 Cb 0.14 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2dk9 h GLU 15 CO -0.02 0.62 -0.25 1.96 -0.73 0.00 0.00 179.01 180.59 2dk9 h GLN 16 N 0.25 0.00 -0.23 1.92 1.08 -0.96 -1.93 115.11 115.24 2dk9 h GLN 16 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2dk9 h GLN 16 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2dk9 h GLN 16 CO 0.01 0.25 0.00 0.25 -0.95 0.00 0.00 178.83 178.39 2dk9 n THR 17 N -3.82 0.31 -2.87 -0.54 -2.24 -0.35 -4.78 114.28 99.99 2dk9 n THR 17 Ca -0.02 -0.36 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 2dk9 n THR 17 Cb 0.34 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2dk9 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dk9 s ALA 18 N -1.69 3.25 0.00 6.98 0.00 -0.73 -4.29 121.76 125.28 2dk9 s ALA 18 Ca 0.25 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2dk9 s ALA 18 Cb 0.13 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2dk9 s ALA 18 CO 0.19 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2dk9 n GLY 19 N 0.52 1.48 3.75 0.00 0.00 -1.26 -5.07 105.19 104.62 2dk9 n GLY 19 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2dk9 n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dk9 s TYR 20 N -0.93 3.57 -0.49 1.61 1.51 -1.26 -4.96 117.35 116.40 2dk9 s TYR 20 Ca 0.00 0.93 -0.10 0.00 -1.01 0.00 0.00 57.07 56.88 2dk9 s TYR 20 Cb 0.00 -2.49 -0.10 0.00 -0.11 0.00 0.00 41.96 39.26 2dk9 s TYR 20 CO 0.00 0.29 1.67 -2.30 -1.11 0.00 0.00 175.55 174.10 2dk9 n PRO 21 N 3.17 1.07 0.00 -1.71 -0.02 -1.26 -2.58 135.00 133.68 2dk9 n PRO 21 Ca -0.09 -1.18 0.00 0.00 -2.02 0.00 0.00 63.50 60.22 2dk9 n PRO 21 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2dk9 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dk9 n GLY 22 N 4.14 0.00 3.63 -1.23 0.00 -1.26 -5.14 105.19 105.33 2dk9 n GLY 22 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 2dk9 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk9 s VAL 23 N 0.00 5.01 -0.56 1.61 0.11 -1.06 -5.00 120.40 120.51 2dk9 s VAL 23 Ca 0.00 1.10 0.05 0.00 -2.93 0.00 0.00 61.98 60.19 2dk9 s VAL 23 Cb 0.00 -3.92 0.18 0.00 -1.53 0.00 0.00 36.38 31.11 2dk9 s VAL 23 CO 0.00 0.06 0.45 1.57 -3.33 0.00 0.00 175.10 173.84 2dk9 n HIS 24 N 5.53 1.26 -3.75 1.54 -0.00 -1.26 -5.03 115.22 113.50 2dk9 n HIS 24 Ca -0.01 -3.82 -0.35 0.00 0.46 0.00 0.00 57.72 53.99 2dk9 n HIS 24 Cb 0.49 -0.22 -0.10 0.00 -0.12 0.00 0.00 29.99 30.04 2dk9 n HIS 24 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2dk9 s VAL 25 N -0.86 3.59 0.00 3.57 1.01 -1.26 -4.76 120.40 121.69 2dk9 s VAL 25 Ca 0.30 -3.23 0.03 0.00 0.00 0.00 0.00 61.98 59.08 2dk9 s VAL 25 Cb 0.02 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 33.11 2dk9 s VAL 25 CO -0.17 -0.91 0.82 -0.24 0.00 0.00 0.00 175.10 174.61 2dk9 n SER 26 N 3.16 -0.01 -4.01 3.32 2.88 -1.26 -4.53 113.62 113.18 2dk9 n SER 26 Ca 0.10 -1.61 -0.11 0.00 -1.33 0.00 0.00 58.87 55.92 2dk9 n SER 26 Cb 0.37 -0.07 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 2dk9 n SER 26 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dk9 s ASP 27 N -0.73 0.50 -0.59 -3.46 1.01 -1.26 -5.03 116.67 107.11 2dk9 s ASP 27 Ca 0.04 -0.47 -0.01 0.00 0.71 0.00 0.00 52.55 52.81 2dk9 s ASP 27 Cb 0.05 0.06 0.45 0.00 1.01 0.00 0.00 42.92 44.48 2dk9 s ASP 27 CO -0.02 -0.23 2.01 0.18 0.21 0.00 0.00 175.17 177.32 2dk9 n LEU 28 N 1.69 7.39 0.00 1.23 4.77 -1.26 -4.25 117.00 126.56 2dk9 n LEU 28 Ca -0.22 -4.05 0.00 0.00 -0.03 0.00 0.00 56.01 51.71 2dk9 n LEU 28 Cb 0.55 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2dk9 n LEU 28 CO 0.21 1.37 0.00 -0.24 -1.33 0.00 0.00 177.39 177.40 2dk9 n SER 29 N -0.78 0.00 0.15 -1.43 2.88 -1.26 -4.77 113.62 108.41 2dk9 n SER 29 Ca 0.58 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 58.30 2dk9 n SER 29 Cb 0.79 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 65.03 2dk9 n SER 29 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dk9 h SER 30 N 0.00 0.00 0.36 -3.46 0.87 -1.86 0.49 113.55 109.95 2dk9 h SER 30 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2dk9 h SER 30 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2dk9 h SER 30 CO 0.00 0.00 -0.41 -1.28 -0.53 0.00 0.00 176.83 174.61 2dk9 h SER 31 N 0.00 0.07 -0.61 6.23 0.87 -1.87 -2.57 113.55 115.68 2dk9 h SER 31 Ca 0.13 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2dk9 h SER 31 Cb 0.68 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2dk9 h SER 31 CO -0.00 0.47 0.00 0.79 -0.53 0.00 0.00 176.83 177.56 2dk9 n TRP 32 N -4.04 1.32 0.18 2.24 7.02 0.15 -4.32 117.44 119.98 2dk9 n TRP 32 Ca -0.02 -0.54 -0.15 0.00 -1.02 0.00 0.00 57.50 55.78 2dk9 n TRP 32 Cb 0.45 -0.21 -0.08 0.00 -2.42 0.00 0.00 31.31 29.06 2dk9 n TRP 32 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2dk9 h ALA 33 N 4.05 -0.79 -0.01 6.99 0.00 -1.26 -1.98 119.26 126.26 2dk9 h ALA 33 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dk9 h ALA 33 Cb 1.30 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2dk9 h ALA 33 CO 0.19 -1.00 -0.01 -0.40 0.00 0.00 0.00 179.25 178.04 2dk9 n ASP 34 N -5.48 0.96 -1.77 0.00 5.68 -1.26 -4.65 116.55 110.03 2dk9 n ASP 34 Ca -0.09 -1.29 -0.11 0.00 -0.50 0.00 0.00 54.79 52.80 2dk9 n ASP 34 Cb 0.38 -0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.39 2dk9 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dk9 n GLY 35 N 1.12 0.15 0.17 6.12 0.00 -0.75 -4.51 105.19 107.50 2dk9 n GLY 35 Ca 0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2dk9 n GLY 35 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dk9 h LEU 36 N -0.95 0.56 -0.17 0.99 -0.00 -1.83 -1.86 115.31 112.04 2dk9 h LEU 36 Ca -0.27 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.88 57.17 2dk9 h LEU 36 Cb 1.18 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 2dk9 h LEU 36 CO 0.28 1.20 0.02 0.00 -0.00 0.00 0.00 178.44 179.93 2dk9 h ALA 37 N 0.78 0.22 -0.34 1.53 0.00 -1.93 0.29 119.26 119.81 2dk9 h ALA 37 Ca -0.06 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2dk9 h ALA 37 Cb 1.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2dk9 h ALA 37 CO 0.15 -0.10 -0.39 -0.07 0.00 0.00 0.00 179.25 178.84 2dk9 h LEU 38 N 0.06 0.87 -0.07 0.00 3.38 -1.95 -2.60 115.31 114.99 2dk9 h LEU 38 Ca 0.05 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2dk9 h LEU 38 Cb 0.33 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2dk9 h LEU 38 CO 0.01 1.15 -0.02 0.00 0.09 0.00 0.00 178.44 179.67 2dk9 h ALA 40 N 0.67 1.33 0.02 0.00 0.00 -0.43 0.52 119.26 121.36 2dk9 h ALA 40 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dk9 h ALA 40 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2dk9 h ALA 40 CO 0.01 0.23 -0.01 -0.07 0.00 0.00 0.00 179.25 179.41 2dk9 h LEU 41 N 0.96 -0.02 -0.10 0.00 3.38 -1.40 -1.59 115.31 116.53 2dk9 h LEU 41 Ca 0.43 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2dk9 h LEU 41 Cb 0.34 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dk9 h LEU 41 CO -0.23 0.12 0.06 0.58 0.09 0.00 0.00 178.44 179.06 2dk9 h VAL 42 N -0.16 1.06 -0.89 1.22 2.07 -1.00 -2.49 116.25 116.05 2dk9 h VAL 42 Ca -0.00 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.48 2dk9 h VAL 42 Cb 0.15 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 2dk9 h VAL 42 CO 0.00 0.05 0.58 0.22 0.02 0.00 0.00 177.57 178.44 2dk9 h TYR 43 N 0.10 0.93 -0.56 1.57 3.20 -0.86 0.41 116.97 121.75 2dk9 h TYR 43 Ca 0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2dk9 h TYR 43 Cb 0.03 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 2dk9 h TYR 43 CO -0.06 0.40 0.24 0.00 -1.64 0.00 0.00 178.16 177.11 2dk9 h ARG 44 N 0.84 0.83 -0.07 1.82 3.08 -0.86 0.89 114.38 120.90 2dk9 h ARG 44 Ca 0.42 -0.14 -0.24 0.00 0.07 0.00 0.00 59.98 60.09 2dk9 h ARG 44 Cb 0.49 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.41 2dk9 h ARG 44 CO -0.19 0.71 -0.89 -0.07 -1.07 0.00 0.00 179.97 178.46 2dk9 h LEU 45 N 0.77 0.91 -6.06 3.04 -0.00 -0.84 -3.40 115.31 109.73 2dk9 h LEU 45 Ca 0.19 -0.69 -0.50 0.00 -0.00 0.00 0.00 57.88 56.88 2dk9 h LEU 45 Cb 0.17 -0.27 -0.34 0.00 -0.00 0.00 0.00 40.66 40.22 2dk9 h LEU 45 CO -0.02 1.46 -0.90 0.00 -0.00 0.00 0.00 178.44 178.98 2dk9 n GLN 46 N -3.92 0.32 0.16 1.13 6.02 0.13 -4.97 117.38 116.24 2dk9 n GLN 46 Ca -0.09 -2.95 0.01 0.00 -0.01 0.00 0.00 57.00 53.96 2dk9 n GLN 46 Cb 0.81 -1.58 0.23 0.00 1.02 0.00 0.00 30.24 30.72 2dk9 n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2dk9 h PRO 47 N 5.29 0.00 -0.18 -1.09 0.13 0.63 -3.14 132.00 133.64 2dk9 h PRO 47 Ca 0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.20 2dk9 h PRO 47 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2dk9 h PRO 47 CO 0.32 0.53 -0.44 0.78 -0.23 0.00 0.00 178.00 178.96 2dk9 h GLY 48 N 1.92 0.48 -3.11 1.56 0.00 -1.94 -2.92 103.07 99.06 2dk9 h GLY 48 Ca -0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 2dk9 h GLY 48 CO 0.07 0.44 0.10 1.04 0.00 0.00 0.00 176.54 178.19 2dk9 n LEU 49 N -4.01 4.95 -4.05 3.11 4.77 -1.19 -4.92 117.00 115.66 2dk9 n LEU 49 Ca -0.02 -2.54 -0.10 0.00 -0.03 0.00 0.00 56.01 53.32 2dk9 n LEU 49 Cb 0.52 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2dk9 n LEU 49 CO 0.44 0.62 -0.13 -0.76 -1.33 0.00 0.00 177.39 176.24 2dk9 s LEU 50 N -2.24 1.22 -0.38 2.23 1.02 -1.10 -5.05 118.68 114.38 2dk9 s LEU 50 Ca 0.43 -1.04 0.11 0.00 0.02 0.00 0.00 54.13 53.65 2dk9 s LEU 50 Cb 0.33 0.84 0.40 0.00 0.02 0.00 0.00 46.19 47.78 2dk9 s LEU 50 CO 0.12 -0.85 1.31 -0.62 0.02 0.00 0.00 176.35 176.33 2dk9 n GLU 51 N -0.19 1.20 0.28 1.70 -0.58 -1.26 -4.89 120.64 116.91 2dk9 n GLU 51 Ca -0.05 -2.01 0.18 0.00 -0.42 0.00 0.00 57.16 54.86 2dk9 n GLU 51 Cb 0.63 -0.20 0.98 0.00 -0.57 0.00 0.00 31.44 32.29 2dk9 n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dk9 h PRO 52 N 2.10 0.00 -0.67 3.49 0.13 -1.95 -2.45 132.00 132.65 2dk9 h PRO 52 Ca -0.26 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.96 2dk9 h PRO 52 Cb 1.28 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 2dk9 h PRO 52 CO 0.01 0.00 0.31 0.77 -0.23 0.00 0.00 178.00 178.86 2dk9 h SER 53 N 0.00 0.38 0.00 1.44 0.02 -1.98 0.90 113.55 114.31 2dk9 h SER 53 Ca 0.00 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2dk9 h SER 53 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2dk9 h SER 53 CO 0.00 0.22 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.58 2dk9 h GLU 54 N 0.53 -0.00 0.00 3.45 3.07 -1.88 -3.10 114.58 116.65 2dk9 h GLU 54 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2dk9 h GLU 54 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2dk9 h GLU 54 CO -0.27 0.58 0.00 1.28 -1.40 0.00 0.00 179.01 179.20 2dk9 n LEU 55 N -4.81 0.00 -0.35 1.33 4.77 -0.99 -1.51 117.00 115.44 2dk9 n LEU 55 Ca -0.09 0.50 -0.03 0.00 -0.03 0.00 0.00 56.01 56.37 2dk9 n LEU 55 Cb 0.29 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2dk9 n LEU 55 CO 0.34 -0.30 1.24 -0.61 -1.33 0.00 0.00 177.39 176.73 2dk9 h GLN 56 N 0.00 1.28 0.00 3.23 -0.00 0.90 -3.26 115.11 117.26 2dk9 h GLN 56 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2dk9 h GLN 56 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 27.48 27.41 2dk9 h GLN 56 CO 0.00 0.88 0.00 0.41 0.00 0.00 0.00 178.83 180.12 2dk9 n GLY 57 N -1.28 0.99 0.23 2.39 0.00 -1.15 -4.66 105.19 101.72 2dk9 n GLY 57 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 2dk9 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dk9 h LEU 58 N 0.00 0.00 0.00 0.99 3.38 -1.34 -3.46 115.31 114.88 2dk9 h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dk9 h LEU 58 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2dk9 h LEU 58 CO 0.00 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2dk9 n GLY 59 N -0.23 2.49 0.16 0.83 0.00 -1.23 -4.99 105.19 102.21 2dk9 n GLY 59 Ca -0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 2dk9 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk9 h ALA 60 N 0.00 -0.30 -0.72 4.61 0.00 -1.85 -2.35 119.26 118.65 2dk9 h ALA 60 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2dk9 h ALA 60 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 60 CO 0.00 -0.28 0.42 1.25 0.00 0.00 0.00 179.25 180.64 2dk9 h LEU 61 N -1.07 0.86 -0.53 0.00 7.12 -1.91 -1.81 115.31 117.98 2dk9 h LEU 61 Ca -0.03 -0.05 -0.05 0.00 0.13 0.00 0.00 57.88 57.88 2dk9 h LEU 61 Cb 0.26 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 2dk9 h LEU 61 CO 0.05 0.67 0.13 -0.08 -0.13 0.00 0.00 178.44 179.08 2dk9 h GLU 62 N 0.99 0.84 -0.48 1.25 4.81 -1.94 -0.31 114.58 119.74 2dk9 h GLU 62 Ca 0.26 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2dk9 h GLU 62 Cb -0.03 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2dk9 h GLU 62 CO -0.05 0.80 0.15 0.00 -0.73 0.00 0.00 179.01 179.19 2dk9 h ALA 63 N 1.00 0.63 0.03 2.92 0.00 -0.95 0.82 119.26 123.71 2dk9 h ALA 63 Ca 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dk9 h ALA 63 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dk9 h ALA 63 CO 0.00 0.28 -0.02 1.15 0.00 0.00 0.00 179.25 180.67 2dk9 h THR 64 N 0.64 1.18 -0.63 0.00 2.02 -1.22 0.11 112.91 115.03 2dk9 h THR 64 Ca 0.16 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2dk9 h THR 64 Cb 0.27 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 2dk9 h THR 64 CO -0.01 0.18 0.37 0.00 0.37 0.00 0.00 175.52 176.43 2dk9 h ALA 65 N 0.60 0.80 -0.12 6.16 0.00 -1.02 0.42 119.26 126.10 2dk9 h ALA 65 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2dk9 h ALA 65 Cb 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dk9 h ALA 65 CO 0.01 0.28 -0.02 2.35 0.00 0.00 0.00 179.25 181.87 2dk9 h TRP 66 N 0.85 0.25 -0.44 0.00 7.01 -0.81 -1.91 115.95 120.90 2dk9 h TRP 66 Ca 0.22 -0.05 -0.09 0.00 2.11 0.00 0.00 58.89 61.08 2dk9 h TRP 66 Cb -0.01 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 2dk9 h TRP 66 CO -0.02 0.50 -0.10 0.00 -2.79 0.00 0.00 178.44 176.03 2dk9 h ALA 67 N 0.72 0.99 -0.29 2.65 0.00 -0.62 -1.92 119.26 120.78 2dk9 h ALA 67 Ca 0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2dk9 h ALA 67 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dk9 h ALA 67 CO 0.01 0.60 0.08 1.25 0.00 0.00 0.00 179.25 181.19 2dk9 h LEU 68 N 0.71 0.43 -0.10 0.00 5.85 -0.11 0.55 115.31 122.63 2dk9 h LEU 68 Ca 0.12 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2dk9 h LEU 68 Cb 0.58 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2dk9 h LEU 68 CO 0.04 0.54 0.02 0.50 -0.34 0.00 0.00 178.44 179.19 2dk9 h LYS 69 N 0.30 0.17 -0.44 1.25 3.11 -1.27 -2.32 116.57 117.38 2dk9 h LYS 69 Ca 0.09 -0.05 -0.14 0.00 -2.81 0.00 0.00 60.65 57.75 2dk9 h LYS 69 Cb 0.27 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2dk9 h LYS 69 CO -0.00 0.38 -0.26 -0.39 -2.81 0.00 0.00 179.45 176.36 2dk9 h VAL 70 N -0.06 1.27 -0.50 2.00 -1.51 -1.33 -1.62 116.25 114.50 2dk9 h VAL 70 Ca 0.03 -1.43 0.06 0.00 -1.23 0.00 0.00 66.70 64.14 2dk9 h VAL 70 Cb 0.29 1.21 -0.05 0.00 -2.13 0.00 0.00 31.29 30.61 2dk9 h VAL 70 CO 0.00 0.48 0.20 0.00 -1.23 0.00 0.00 177.57 177.03 2dk9 h ALA 71 N 0.89 0.63 -0.27 5.19 0.00 0.15 0.86 119.26 126.72 2dk9 h ALA 71 Ca 0.09 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2dk9 h ALA 71 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2dk9 h ALA 71 CO 0.07 -0.18 -0.42 1.05 0.00 0.00 0.00 179.25 179.78 2dk9 h GLU 72 N 0.40 0.66 -0.35 0.00 4.11 -1.35 0.23 114.58 118.27 2dk9 h GLU 72 Ca 0.24 -0.35 -0.14 0.00 0.07 0.00 0.00 59.36 59.17 2dk9 h GLU 72 Cb 0.22 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2dk9 h GLU 72 CO -0.22 0.96 -0.34 -0.91 0.07 0.00 0.00 179.01 178.57 2dk9 h ASN 73 N 0.54 0.91 0.19 3.06 2.35 -0.35 1.03 115.58 123.31 2dk9 h ASN 73 Ca 0.04 -0.46 -0.26 0.00 -0.55 0.00 0.00 56.30 55.06 2dk9 h ASN 73 Cb 0.95 -0.26 0.03 0.00 0.05 0.00 0.00 38.32 39.09 2dk9 h ASN 73 CO 0.09 1.19 -1.18 -0.33 -1.65 0.00 0.00 177.43 175.55 2dk9 h GLU 74 N 0.65 0.40 0.02 0.81 5.08 0.75 -3.38 114.58 118.92 2dk9 h GLU 74 Ca 0.06 -0.68 -0.32 0.00 -1.00 0.00 0.00 59.36 57.42 2dk9 h GLU 74 Cb 0.93 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 2dk9 h GLU 74 CO 0.09 1.33 -1.89 1.28 -1.00 0.00 0.00 179.01 178.81 2dk9 n LEU 75 N -3.92 1.16 0.00 1.33 4.32 0.80 -5.00 117.00 115.68 2dk9 n LEU 75 Ca -0.17 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2dk9 n LEU 75 Cb 0.96 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.69 2dk9 n LEU 75 CO 0.53 0.51 0.00 0.61 -1.22 0.00 0.00 177.39 177.82 2dk9 n GLY 76 N 1.69 1.05 3.46 -0.72 0.00 0.35 -5.01 105.19 106.02 2dk9 n GLY 76 Ca -0.23 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2dk9 n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dk9 s ILE 77 N -2.00 4.13 0.03 -0.61 1.01 -1.17 -5.01 121.20 117.59 2dk9 s ILE 77 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 2dk9 s ILE 77 Cb 0.00 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 2dk9 s ILE 77 CO 0.00 0.40 1.19 -0.89 0.00 0.00 0.00 174.94 175.64 2dk9 s THR 78 N 1.14 4.13 0.60 2.92 2.01 -1.26 -4.08 115.64 121.10 2dk9 s THR 78 Ca 0.03 1.52 -0.18 0.00 0.31 0.00 0.00 61.69 63.37 2dk9 s THR 78 Cb -0.14 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2dk9 s THR 78 CO 0.02 0.09 0.92 -2.65 -0.69 0.00 0.00 174.62 172.32 2dk9 n PRO 79 N 4.18 0.85 0.00 4.92 -0.02 -1.26 -4.95 135.00 138.72 2dk9 n PRO 79 Ca 0.09 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2dk9 n PRO 79 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2dk9 n PRO 79 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dk9 n VAL 80 N -1.75 0.10 -3.90 -1.45 0.31 -1.26 -5.07 118.33 105.30 2dk9 n VAL 80 Ca 0.14 -0.37 -0.09 0.00 -0.01 0.00 0.00 64.34 64.01 2dk9 n VAL 80 Cb 0.47 1.25 -0.08 0.00 -0.91 0.00 0.00 33.84 34.58 2dk9 n VAL 80 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2dk9 s VAL 81 N -0.10 0.15 0.42 2.52 -7.23 -1.26 -5.02 120.40 109.88 2dk9 s VAL 81 Ca 0.00 -1.30 -0.08 0.00 -1.81 0.00 0.00 61.98 58.78 2dk9 s VAL 81 Cb 0.00 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 2dk9 s VAL 81 CO 0.00 -0.69 0.75 -0.55 -0.31 0.00 0.00 175.10 174.30 2dk9 s SER 82 N -2.88 6.43 0.14 4.85 0.15 -1.26 -4.99 113.70 116.14 2dk9 s SER 82 Ca 0.06 1.03 -0.14 0.00 0.70 0.00 0.00 55.95 57.60 2dk9 s SER 82 Cb 0.05 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2dk9 s SER 82 CO -0.10 -0.43 1.62 0.00 1.20 0.00 0.00 173.24 175.53 2dk9 h ALA 83 N 0.99 0.59 -0.27 5.45 0.00 -1.97 -2.28 119.26 121.77 2dk9 h ALA 83 Ca -0.47 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 2dk9 h ALA 83 Cb 1.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2dk9 h ALA 83 CO 0.63 0.30 -0.04 0.37 0.00 0.00 0.00 179.25 180.51 2dk9 h GLN 84 N 0.59 0.41 -0.18 0.00 4.15 -1.97 -0.07 115.11 118.06 2dk9 h GLN 84 Ca 0.14 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 2dk9 h GLN 84 Cb 0.37 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 2dk9 h GLN 84 CO 0.01 0.47 -0.09 0.00 -1.93 0.00 0.00 178.83 177.29 2dk9 h ALA 85 N 1.57 0.25 -0.25 3.38 0.00 -1.90 -0.87 119.26 121.44 2dk9 h ALA 85 Ca 0.08 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2dk9 h ALA 85 Cb 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dk9 h ALA 85 CO 0.01 0.07 -0.31 -0.24 0.00 0.00 0.00 179.25 178.79 2dk9 h VAL 86 N 0.05 1.31 -0.68 0.00 3.04 -1.23 0.97 116.25 119.71 2dk9 h VAL 86 Ca 0.04 -1.50 -0.06 0.00 -1.01 0.00 0.00 66.70 64.16 2dk9 h VAL 86 Cb 0.58 1.70 -0.03 0.00 -2.01 0.00 0.00 31.29 31.53 2dk9 h VAL 86 CO 0.03 0.47 0.17 0.58 -1.01 0.00 0.00 177.57 177.81 2dk9 h VAL 87 N 0.36 1.26 0.00 1.51 2.07 -1.05 -2.50 116.25 117.89 2dk9 h VAL 87 Ca 0.03 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2dk9 h VAL 87 Cb 0.89 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2dk9 h VAL 87 CO 0.07 0.36 -0.27 0.00 0.02 0.00 0.00 177.57 177.75 2dk9 n ALA 88 N -2.46 2.65 -2.38 1.67 0.00 -0.33 -4.16 120.51 115.50 2dk9 n ALA 88 Ca 0.05 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 2dk9 n ALA 88 Cb 0.25 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 2dk9 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk9 n GLY 89 N 1.37 -0.38 2.15 0.00 0.00 0.27 -4.85 105.19 103.75 2dk9 n GLY 89 Ca 0.05 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2dk9 n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk9 n SER 90 N -1.51 4.12 -2.74 1.61 3.41 -0.79 -4.54 113.62 113.18 2dk9 n SER 90 Ca -0.21 -3.51 -0.07 0.00 -0.26 0.00 0.00 58.87 54.81 2dk9 n SER 90 Cb 0.66 -0.83 0.05 0.00 -0.26 0.00 0.00 64.21 63.82 2dk9 n SER 90 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dk9 n ASP 91 N -1.00 -2.83 -0.25 4.04 2.03 -1.26 -5.02 116.55 112.26 2dk9 n ASP 91 Ca 0.56 -3.11 -0.06 0.00 0.52 0.00 0.00 54.79 52.70 2dk9 n ASP 91 Cb 1.49 1.73 0.05 0.00 -0.72 0.00 0.00 41.12 43.66 2dk9 n ASP 91 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dk9 h PRO 92 N 4.06 0.98 -0.69 -0.67 0.13 -1.86 -2.32 132.00 131.63 2dk9 h PRO 92 Ca -0.13 -0.13 0.05 0.00 -0.87 0.00 0.00 66.00 64.92 2dk9 h PRO 92 Cb 1.06 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 2dk9 h PRO 92 CO 0.24 0.76 0.46 -0.07 -0.23 0.00 0.00 178.00 179.16 2dk9 h LEU 93 N 0.96 0.68 -0.15 1.56 3.38 -1.98 -1.81 115.31 117.95 2dk9 h LEU 93 Ca 0.24 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 2dk9 h LEU 93 Cb 0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2dk9 h LEU 93 CO -0.03 0.45 -0.50 1.23 0.09 0.00 0.00 178.44 179.68 2dk9 h GLY 94 N 0.78 0.66 1.01 0.83 0.00 -1.86 -2.22 103.07 102.26 2dk9 h GLY 94 Ca 0.29 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.75 2dk9 h GLY 94 CO -0.09 0.78 0.45 1.41 0.00 0.00 0.00 176.54 179.09 2dk9 h LEU 95 N 0.25 0.79 -0.45 3.11 3.38 -0.97 -0.86 115.31 120.55 2dk9 h LEU 95 Ca -0.02 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2dk9 h LEU 95 Cb 1.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2dk9 h LEU 95 CO 0.11 0.58 -0.16 0.40 0.09 0.00 0.00 178.44 179.45 2dk9 h ILE 96 N 0.93 1.27 -0.81 1.22 2.04 -1.39 -1.62 117.51 119.16 2dk9 h ILE 96 Ca 0.25 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2dk9 h ILE 96 Cb -0.10 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2dk9 h ILE 96 CO -0.05 0.45 0.44 0.00 0.00 0.00 0.00 178.15 178.98 2dk9 h ALA 97 N 0.86 1.03 -0.37 1.87 0.00 -1.04 -2.02 119.26 119.59 2dk9 h ALA 97 Ca 0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2dk9 h ALA 97 Cb 0.72 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dk9 h ALA 97 CO 0.05 0.54 -0.27 -0.92 0.00 0.00 0.00 179.25 178.66 2dk9 h TYR 98 N 1.12 0.98 -0.37 0.00 3.20 -1.07 -2.95 116.97 117.88 2dk9 h TYR 98 Ca 0.28 -0.27 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2dk9 h TYR 98 Cb 0.03 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2dk9 h TYR 98 CO 0.00 1.05 0.25 1.25 -1.64 0.00 0.00 178.16 179.07 2dk9 h LEU 99 N 0.63 0.37 -1.11 2.82 6.46 -0.99 -1.30 115.31 122.19 2dk9 h LEU 99 Ca 0.07 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2dk9 h LEU 99 Cb 0.84 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 2dk9 h LEU 99 CO 0.07 0.26 0.18 -1.28 -0.62 0.00 0.00 178.44 177.06 2dk9 h SER 100 N 0.43 0.75 -0.28 1.25 0.87 -1.20 -0.47 113.55 114.91 2dk9 h SER 100 Ca 0.15 -0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.43 2dk9 h SER 100 Cb 0.05 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2dk9 h SER 100 CO -0.03 0.70 -0.45 -0.74 -0.53 0.00 0.00 176.83 175.78 2dk9 h HIS 101 N 0.80 1.03 -0.40 2.24 -0.00 -1.24 -2.48 115.15 115.09 2dk9 h HIS 101 Ca 0.18 -0.33 -0.12 0.00 -0.00 0.00 0.00 60.37 60.10 2dk9 h HIS 101 Cb 0.21 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2dk9 h HIS 101 CO 0.01 1.14 -0.25 0.74 -0.00 0.00 0.00 177.93 179.57 2dk9 h PHE 102 N 0.68 0.95 -0.12 5.26 0.04 -1.06 -2.51 116.94 120.18 2dk9 h PHE 102 Ca 0.04 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 2dk9 h PHE 102 Cb 1.03 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 2dk9 h PHE 102 CO 0.06 0.99 0.05 1.25 -0.60 0.00 0.00 178.31 180.05 2dk9 h HIS 103 N 0.72 0.18 -0.78 -0.55 2.76 -1.03 0.61 115.15 117.07 2dk9 h HIS 103 Ca 0.09 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2dk9 h HIS 103 Cb 0.78 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.64 2dk9 h HIS 103 CO 0.04 0.28 0.51 0.77 -1.30 0.00 0.00 177.93 178.24 2dk9 h SER 104 N 0.03 0.85 0.12 3.26 0.02 -1.41 0.16 113.55 116.58 2dk9 h SER 104 Ca 0.04 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.69 2dk9 h SER 104 Cb 0.18 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 62.54 2dk9 h SER 104 CO -0.00 0.60 -1.19 0.00 -1.14 0.00 0.00 176.83 175.10 2dk9 h ALA 105 N 1.53 -0.02 -0.10 3.77 0.00 -1.19 -3.11 119.26 120.14 2dk9 h ALA 105 Ca 0.30 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2dk9 h ALA 105 Cb -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2dk9 h ALA 105 CO -0.08 0.65 -0.23 0.74 0.00 0.00 0.00 179.25 180.33 2dk9 h PHE 106 N 0.21 0.19 -0.37 0.00 -1.00 0.64 -0.80 116.94 115.80 2dk9 h PHE 106 Ca -0.18 -0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.46 2dk9 h PHE 106 Cb 1.88 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 41.38 2dk9 h PHE 106 CO 0.12 0.40 -0.19 -0.22 -1.61 0.00 0.00 178.31 176.81 2dk9 h LYS 107 N 0.16 0.79 0.18 1.51 3.11 -0.75 -3.34 116.57 118.23 2dk9 h LYS 107 Ca 0.03 -0.35 -0.01 0.00 -2.81 0.00 0.00 60.65 57.51 2dk9 h LYS 107 Cb 0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2dk9 h LYS 107 CO 0.03 0.97 -0.08 0.77 -2.81 0.00 0.00 179.45 178.33 2dk9 h SER 108 N 0.58 -0.20 -0.01 4.20 0.02 -1.43 -3.51 113.55 113.21 2dk9 h SER 108 Ca 0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2dk9 h SER 108 Cb 0.74 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2dk9 h SER 108 CO 0.06 0.04 0.00 0.23 -1.14 0.00 0.00 176.83 176.02