#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk9 s GLY -7 N 0.00 -0.36 0.20 3.03 0.00 -1.26 -5.17 107.32 103.77 2dk9 s GLY -7 Ca 0.00 1.59 0.08 0.00 0.00 0.00 0.00 44.72 46.39 2dk9 s GLY -7 CO 0.00 1.68 -0.01 -2.38 0.00 0.00 0.00 173.10 172.40 2dk9 s HIS -6 N 1.28 2.79 0.00 1.90 -0.00 -1.26 -5.03 115.29 114.96 2dk9 s HIS -6 Ca -0.08 -0.17 0.00 0.00 -0.00 0.00 0.00 55.06 54.81 2dk9 s HIS -6 Cb -0.07 -1.32 0.00 0.00 -0.00 0.00 0.00 32.58 31.19 2dk9 s HIS -6 CO -0.12 0.54 0.00 1.58 -0.00 0.00 0.00 174.74 176.74 2dk9 n HIS -5 N -0.34 0.00 0.01 0.38 -0.00 -1.26 -4.88 115.22 109.13 2dk9 n HIS -5 Ca -0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.53 2dk9 n HIS -5 Cb 0.56 0.30 -0.14 0.00 -0.00 0.00 0.00 29.99 30.72 2dk9 n HIS -5 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2dk9 h HIS -4 N 0.00 0.11 -3.42 1.57 6.17 -2.04 -3.51 115.15 114.03 2dk9 h HIS -4 Ca 0.00 -0.08 0.36 0.00 0.71 0.00 0.00 60.37 61.36 2dk9 h HIS -4 Cb 0.17 -0.00 -0.17 0.00 2.52 0.00 0.00 27.41 29.92 2dk9 h HIS -4 CO 0.00 1.12 -1.12 1.58 0.71 0.00 0.00 177.93 180.23 2dk9 n HIS -3 N -3.21 -3.80 -2.67 5.26 -0.00 -1.26 -4.83 115.22 104.71 2dk9 n HIS -3 Ca -0.14 2.06 -0.21 0.00 0.46 0.00 0.00 57.72 59.88 2dk9 n HIS -3 Cb 1.03 -3.46 0.01 0.00 -0.12 0.00 0.00 29.99 27.45 2dk9 n HIS -3 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2dk9 n HIS -2 N -4.32 -1.42 -4.21 1.57 -0.00 -1.26 -4.99 115.22 100.60 2dk9 n HIS -2 Ca -0.07 0.24 -0.25 0.00 -0.00 0.00 0.00 57.72 57.64 2dk9 n HIS -2 Cb 0.68 -4.15 -0.07 0.00 -0.00 0.00 0.00 29.99 26.45 2dk9 n HIS -2 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dk9 s HIS -1 N -3.09 2.85 -0.01 1.57 5.65 -1.26 -5.13 115.29 115.87 2dk9 s HIS -1 Ca 0.14 -0.15 -0.28 0.00 0.25 0.00 0.00 55.06 55.02 2dk9 s HIS -1 Cb -0.06 -1.35 0.10 0.00 -1.18 0.00 0.00 32.58 30.09 2dk9 s HIS -1 CO 0.17 0.54 0.86 1.41 -0.65 0.00 0.00 174.74 177.07 2dk9 s MET 0 N -3.16 0.85 0.00 2.88 -2.45 -1.26 -4.97 119.30 111.18 2dk9 s MET 0 Ca 0.29 -0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.49 2dk9 s MET 0 Cb -0.09 0.39 0.00 0.00 1.25 0.00 0.00 34.83 36.39 2dk9 s MET 0 CO 0.20 -0.36 0.00 0.41 1.05 0.00 0.00 175.02 176.32 2dk9 n GLY 1 N -0.09 3.17 0.11 2.11 0.00 -1.26 -4.82 105.19 104.42 2dk9 n GLY 1 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 2dk9 n GLY 1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk9 n SER 2 N 0.00 0.88 0.01 1.61 7.64 -1.26 -3.71 113.62 118.79 2dk9 n SER 2 Ca 0.00 0.08 -0.08 0.00 1.01 0.00 0.00 58.87 59.88 2dk9 n SER 2 Cb 0.00 0.24 -0.13 0.00 -1.01 0.00 0.00 64.21 63.31 2dk9 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dk9 h ALA 3 N 0.67 0.63 0.00 -0.43 0.00 -1.94 -3.21 119.26 114.98 2dk9 h ALA 3 Ca -0.49 -1.26 -0.14 0.00 0.00 0.00 0.00 54.91 53.02 2dk9 h ALA 3 Cb 2.10 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 20.13 2dk9 h ALA 3 CO 0.02 1.45 -0.68 0.78 0.00 0.00 0.00 179.25 180.82 2dk9 h GLY 4 N 3.34 0.00 1.94 0.00 0.00 -1.95 -3.24 103.07 103.17 2dk9 h GLY 4 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.93 2dk9 h GLY 4 CO 0.10 0.00 -0.99 -0.91 0.00 0.00 0.00 176.54 174.74 2dk9 h THR 5 N 0.00 1.65 -0.56 4.70 1.35 -1.68 -3.22 112.91 115.14 2dk9 h THR 5 Ca -0.01 -3.21 0.01 0.00 -0.55 0.00 0.00 66.41 62.65 2dk9 h THR 5 Cb 1.39 2.77 -0.03 0.00 -1.73 0.00 0.00 68.15 70.55 2dk9 h THR 5 CO 0.09 0.92 0.37 1.56 -0.25 0.00 0.00 175.52 178.21 2dk9 h GLN 6 N 0.02 0.72 -0.24 4.72 1.08 -1.57 0.14 115.11 119.97 2dk9 h GLN 6 Ca -0.03 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 2dk9 h GLN 6 Cb 1.72 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.98 2dk9 h GLN 6 CO 0.14 0.47 0.07 1.49 -0.95 0.00 0.00 178.83 180.05 2dk9 h GLU 7 N 0.74 0.38 -0.76 1.46 4.81 -1.64 -0.54 114.58 119.03 2dk9 h GLU 7 Ca 0.21 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2dk9 h GLU 7 Cb -0.06 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2dk9 h GLU 7 CO -0.06 0.46 0.29 0.93 -0.73 0.00 0.00 179.01 179.91 2dk9 h GLU 8 N 0.22 1.15 -0.54 1.92 5.08 -1.51 -1.99 114.58 118.91 2dk9 h GLU 8 Ca 0.08 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2dk9 h GLU 8 Cb 0.25 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2dk9 h GLU 8 CO -0.00 0.94 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.81 2dk9 h LEU 9 N 1.11 0.96 -0.36 1.33 3.38 -0.59 -2.54 115.31 118.60 2dk9 h LEU 9 Ca 0.25 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2dk9 h LEU 9 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2dk9 h LEU 9 CO -0.02 1.05 0.14 -0.07 0.09 0.00 0.00 178.44 179.63 2dk9 h LEU 10 N 0.88 0.50 -0.57 1.67 3.38 -0.80 -0.35 115.31 120.02 2dk9 h LEU 10 Ca 0.15 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dk9 h LEU 10 Cb 0.60 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2dk9 h LEU 10 CO 0.04 0.54 0.37 0.03 0.09 0.00 0.00 178.44 179.51 2dk9 h ARG 11 N 0.43 0.74 -0.36 1.13 2.47 -1.27 -0.26 114.38 117.26 2dk9 h ARG 11 Ca 0.12 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.69 2dk9 h ARG 11 Cb 0.19 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2dk9 h ARG 11 CO -0.01 0.49 -0.22 2.35 0.56 0.00 0.00 179.97 183.14 2dk9 h TRP 12 N 0.76 0.79 -0.24 3.04 7.01 -1.30 -2.13 115.95 123.87 2dk9 h TRP 12 Ca 0.21 -0.17 -0.06 0.00 2.11 0.00 0.00 58.89 60.98 2dk9 h TRP 12 Cb -0.07 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 2dk9 h TRP 12 CO -0.04 0.86 -0.06 0.00 -2.79 0.00 0.00 178.44 176.40 2dk9 h GLN 14 N 0.21 0.60 -0.26 0.00 3.07 -1.02 -1.81 115.11 115.90 2dk9 h GLN 14 Ca 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 58.65 58.58 2dk9 h GLN 14 Cb 0.53 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 2dk9 h GLN 14 CO 0.03 0.70 -0.01 1.49 0.09 0.00 0.00 178.83 181.13 2dk9 h GLU 15 N 0.55 0.46 -0.13 0.06 4.57 -1.31 -1.30 114.58 117.48 2dk9 h GLU 15 Ca 0.10 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2dk9 h GLU 15 Cb 0.51 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2dk9 h GLU 15 CO 0.03 0.63 -0.20 1.96 -1.18 0.00 0.00 179.01 180.25 2dk9 h GLN 16 N 0.24 0.22 -0.33 1.92 1.08 -1.25 -2.02 115.11 114.97 2dk9 h GLN 16 Ca 0.07 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2dk9 h GLN 16 Cb 0.43 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2dk9 h GLN 16 CO 0.01 0.42 0.00 2.41 -0.95 0.00 0.00 178.83 180.72 2dk9 n THR 17 N -4.22 0.43 -2.93 -0.54 -1.04 -0.69 -4.59 114.28 100.69 2dk9 n THR 17 Ca -0.01 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.09 2dk9 n THR 17 Cb 0.32 0.38 -0.04 0.00 -1.82 0.00 0.00 70.33 69.17 2dk9 n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dk9 s ALA 18 N -1.57 3.46 0.00 2.41 0.00 -0.51 -4.19 121.76 121.36 2dk9 s ALA 18 Ca 0.31 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2dk9 s ALA 18 Cb 0.16 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2dk9 s ALA 18 CO 0.23 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2dk9 n GLY 19 N 3.37 0.67 3.63 0.00 0.00 -1.26 -5.02 105.19 106.58 2dk9 n GLY 19 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.29 -0.78 1.61 1.51 -1.26 -4.97 117.35 116.75 2dk9 s TYR 20 Ca 0.00 0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 56.51 2dk9 s TYR 20 Cb 0.00 -2.58 -0.06 0.00 -0.11 0.00 0.00 41.96 39.21 2dk9 s TYR 20 CO 0.00 -0.17 1.94 -0.35 -1.11 0.00 0.00 175.55 175.87 2dk9 n PRO 21 N 5.10 1.75 0.00 -1.71 -0.04 -1.26 -2.86 135.00 135.98 2dk9 n PRO 21 Ca -0.08 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 2dk9 n PRO 21 Cb 0.51 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2dk9 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dk9 n GLY 22 N 3.87 0.00 2.71 0.55 0.00 -1.26 -5.15 105.19 105.90 2dk9 n GLY 22 Ca 0.39 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 2dk9 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dk9 s VAL 23 N 0.00 -0.13 -0.20 1.61 1.01 -1.13 -5.13 120.40 116.43 2dk9 s VAL 23 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2dk9 s VAL 23 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.23 2dk9 s VAL 23 CO 0.00 0.17 -0.14 -1.38 0.00 0.00 0.00 175.10 173.75 2dk9 s HIS 24 N 2.09 2.87 -0.53 5.22 -3.43 -1.26 -4.89 115.29 115.36 2dk9 s HIS 24 Ca 0.03 -1.46 0.01 0.00 -0.80 0.00 0.00 55.06 52.84 2dk9 s HIS 24 Cb -0.12 -1.98 0.48 0.00 -1.43 0.00 0.00 32.58 29.53 2dk9 s HIS 24 CO -0.03 -0.73 1.79 0.28 -2.00 0.00 0.00 174.74 174.05 2dk9 n VAL 25 N 4.67 3.26 -0.56 -5.38 0.31 -1.26 -4.56 118.33 114.81 2dk9 n VAL 25 Ca -0.20 -3.09 0.06 0.00 -0.01 0.00 0.00 64.34 61.10 2dk9 n VAL 25 Cb 0.50 -1.01 0.34 0.00 -0.91 0.00 0.00 33.84 32.75 2dk9 n VAL 25 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2dk9 n SER 26 N -0.92 4.92 -3.89 4.52 2.88 -1.26 -4.57 113.62 115.29 2dk9 n SER 26 Ca 0.56 -2.76 -0.14 0.00 -1.33 0.00 0.00 58.87 55.19 2dk9 n SER 26 Cb 0.87 -0.65 -0.15 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.64 0.30 -0.42 -3.46 1.01 -1.26 -5.04 116.67 107.15 2dk9 s ASP 27 Ca 0.45 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.67 2dk9 s ASP 27 Cb 0.34 -0.06 0.37 0.00 1.01 0.00 0.00 42.92 44.58 2dk9 s ASP 27 CO 0.13 0.00 1.90 0.18 0.21 0.00 0.00 175.17 177.60 2dk9 n LEU 28 N 3.24 6.57 0.00 1.23 4.77 -1.26 -3.96 117.00 127.59 2dk9 n LEU 28 Ca -0.15 -3.49 0.00 0.00 -0.03 0.00 0.00 56.01 52.34 2dk9 n LEU 28 Cb 0.57 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2dk9 n LEU 28 CO 0.25 1.18 0.00 -1.20 -1.33 0.00 0.00 177.39 176.30 2dk9 n SER 29 N -0.38 0.00 0.15 -1.43 7.64 -1.26 -4.94 113.62 113.40 2dk9 n SER 29 Ca 0.44 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.49 2dk9 n SER 29 Cb 0.86 0.14 0.77 0.00 -1.01 0.00 0.00 64.21 64.97 2dk9 n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dk9 h SER 30 N 0.00 0.00 0.42 6.43 0.02 -1.93 0.62 113.55 119.12 2dk9 h SER 30 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2dk9 h SER 30 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2dk9 h SER 30 CO 0.00 0.00 -0.42 0.77 -1.14 0.00 0.00 176.83 176.04 2dk9 h SER 31 N 0.00 0.00 -0.34 3.07 4.64 -1.83 -2.57 113.55 116.52 2dk9 h SER 31 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2dk9 h SER 31 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2dk9 h SER 31 CO -0.00 0.42 0.00 0.79 -0.87 0.00 0.00 176.83 177.16 2dk9 n TRP 32 N -4.03 0.43 0.08 4.77 7.02 0.17 -3.86 117.44 122.01 2dk9 n TRP 32 Ca -0.02 -0.22 -0.09 0.00 -1.02 0.00 0.00 57.50 56.16 2dk9 n TRP 32 Cb 0.44 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.28 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 4.45 -0.82 0.00 6.99 0.00 -1.00 -1.83 119.26 127.04 2dk9 h ALA 33 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dk9 h ALA 33 Cb 0.90 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2dk9 h ALA 33 CO 0.00 -0.88 0.00 -0.40 0.00 0.00 0.00 179.25 177.97 2dk9 n ASP 34 N -4.03 0.00 -0.59 0.00 5.68 -1.26 -4.49 116.55 111.86 2dk9 n ASP 34 Ca -0.05 -0.65 -0.04 0.00 -0.50 0.00 0.00 54.79 53.55 2dk9 n ASP 34 Cb 0.22 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.05 0.31 0.20 6.12 0.00 -0.69 -4.57 105.19 107.61 2dk9 n GLY 35 Ca 0.20 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.11 0.81 -0.26 0.99 -0.00 -1.82 -2.33 115.31 112.59 2dk9 h LEU 36 Ca -0.10 -0.62 -0.00 0.00 -0.00 0.00 0.00 57.88 57.16 2dk9 h LEU 36 Cb 1.07 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 2dk9 h LEU 36 CO 0.11 1.30 0.15 0.00 -0.00 0.00 0.00 178.44 179.99 2dk9 h ALA 37 N 0.54 0.33 -0.31 1.53 0.00 -1.92 0.63 119.26 120.07 2dk9 h ALA 37 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2dk9 h ALA 37 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2dk9 h ALA 37 CO 0.13 -0.14 0.10 1.25 0.00 0.00 0.00 179.25 180.59 2dk9 h LEU 38 N 0.32 0.44 -0.88 0.00 7.12 -1.91 -2.52 115.31 117.88 2dk9 h LEU 38 Ca 0.09 -0.19 -0.11 0.00 0.13 0.00 0.00 57.88 57.80 2dk9 h LEU 38 Cb 0.05 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.05 2dk9 h LEU 38 CO -0.02 0.51 -0.40 0.00 -0.13 0.00 0.00 178.44 178.41 2dk9 h ALA 40 N 1.30 0.88 0.13 0.00 0.00 0.53 0.33 119.26 122.42 2dk9 h ALA 40 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dk9 h ALA 40 Cb 0.83 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2dk9 h ALA 40 CO 0.07 0.27 -0.06 -0.07 0.00 0.00 0.00 179.25 179.45 2dk9 h LEU 41 N 0.90 -0.15 -0.23 0.00 3.38 -1.34 -2.48 115.31 115.40 2dk9 h LEU 41 Ca 0.26 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2dk9 h LEU 41 Cb -0.07 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2dk9 h LEU 41 CO -0.07 0.34 0.13 0.58 0.09 0.00 0.00 178.44 179.51 2dk9 h VAL 42 N -0.68 1.01 -0.86 1.22 2.07 -1.38 -2.22 116.25 115.41 2dk9 h VAL 42 Ca -0.02 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.50 2dk9 h VAL 42 Cb 0.51 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2dk9 h VAL 42 CO 0.03 0.05 0.56 0.22 0.02 0.00 0.00 177.57 178.44 2dk9 h TYR 43 N 0.26 0.92 -0.57 1.57 3.20 -0.43 0.49 116.97 122.41 2dk9 h TYR 43 Ca 0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2dk9 h TYR 43 Cb 0.01 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 2dk9 h TYR 43 CO -0.08 0.45 0.26 -0.09 -1.64 0.00 0.00 178.16 177.05 2dk9 h ARG 44 N 0.87 0.83 0.01 1.82 2.43 -0.92 0.58 114.38 120.00 2dk9 h ARG 44 Ca 0.39 -0.13 -0.20 0.00 -0.81 0.00 0.00 59.98 59.22 2dk9 h ARG 44 Cb 0.35 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2dk9 h ARG 44 CO -0.15 0.69 -0.80 -0.07 -1.51 0.00 0.00 179.97 178.13 2dk9 h LEU 45 N 0.78 0.69 -6.14 3.80 4.07 -0.88 -3.41 115.31 114.22 2dk9 h LEU 45 Ca 0.19 -0.76 -0.49 0.00 0.08 0.00 0.00 57.88 56.90 2dk9 h LEU 45 Cb 0.15 -0.21 -0.34 0.00 1.08 0.00 0.00 40.66 41.34 2dk9 h LEU 45 CO -0.02 1.36 -0.86 -1.10 -1.08 0.00 0.00 178.44 176.74 2dk9 s GLN 46 N -3.22 0.88 0.17 1.13 -0.21 0.16 -4.99 119.66 113.58 2dk9 s GLN 46 Ca -0.12 -1.76 -0.02 0.00 0.02 0.00 0.00 55.36 53.48 2dk9 s GLN 46 Cb 0.05 -1.11 0.03 0.00 1.00 0.00 0.00 33.01 32.98 2dk9 s GLN 46 CO 0.87 -1.35 1.41 -1.00 -2.12 0.00 0.00 175.29 173.10 2dk9 h PRO 47 N 5.75 0.42 0.00 2.91 0.13 0.00 -3.10 132.00 138.11 2dk9 h PRO 47 Ca 0.20 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2dk9 h PRO 47 Cb 0.96 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2dk9 h PRO 47 CO 0.28 1.00 -0.03 0.78 -0.23 0.00 0.00 178.00 179.80 2dk9 h GLY 48 N 1.26 0.00 0.67 1.56 0.00 -1.94 -2.15 103.07 102.47 2dk9 h GLY 48 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2dk9 h GLY 48 CO 0.13 0.00 -0.52 1.04 0.00 0.00 0.00 176.54 177.19 2dk9 n LEU 49 N -3.19 0.71 -3.72 3.11 7.99 -1.18 -4.88 117.00 115.85 2dk9 n LEU 49 Ca -0.01 -0.14 -0.12 0.00 -0.01 0.00 0.00 56.01 55.74 2dk9 n LEU 49 Cb 0.24 -0.19 -0.12 0.00 -0.11 0.00 0.00 43.42 43.25 2dk9 n LEU 49 CO 0.26 0.16 -0.04 -0.76 -1.51 0.00 0.00 177.39 175.50 2dk9 s LEU 50 N -2.89 0.31 -1.01 2.23 1.02 -0.81 -5.04 118.68 112.49 2dk9 s LEU 50 Ca 0.13 0.67 -0.07 0.00 0.02 0.00 0.00 54.13 54.88 2dk9 s LEU 50 Cb 0.18 1.00 0.25 0.00 0.02 0.00 0.00 46.19 47.64 2dk9 s LEU 50 CO 0.68 -0.16 0.96 -1.61 0.02 0.00 0.00 176.35 176.24 2dk9 s GLU 51 N 1.11 3.83 0.32 1.70 0.41 -1.26 -4.66 118.70 120.14 2dk9 s GLU 51 Ca -0.08 -3.15 0.01 0.00 -0.41 0.00 0.00 54.97 51.35 2dk9 s GLU 51 Cb -0.08 -4.34 0.56 0.00 -1.78 0.00 0.00 34.13 28.49 2dk9 s GLU 51 CO -0.08 -1.25 1.93 -1.00 -0.49 0.00 0.00 175.26 174.37 2dk9 h PRO 52 N 6.59 0.95 -0.84 0.39 0.13 -1.91 -2.13 132.00 135.18 2dk9 h PRO 52 Ca 0.16 -0.06 0.15 0.00 -0.87 0.00 0.00 66.00 65.38 2dk9 h PRO 52 Cb 0.87 -0.21 -0.06 0.00 0.13 0.00 0.00 31.00 31.73 2dk9 h PRO 52 CO 0.93 0.63 0.55 1.03 -0.23 0.00 0.00 178.00 180.91 2dk9 h SER 53 N 0.98 0.55 0.01 1.44 0.87 -1.98 1.06 113.55 116.48 2dk9 h SER 53 Ca 0.36 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2dk9 h SER 53 Cb 0.15 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2dk9 h SER 53 CO -0.12 0.28 -0.00 -0.08 -0.53 0.00 0.00 176.83 176.37 2dk9 h GLU 54 N 0.58 -0.01 0.00 2.24 4.81 -1.81 -3.23 114.58 117.16 2dk9 h GLU 54 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2dk9 h GLU 54 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2dk9 h GLU 54 CO -0.17 0.56 0.00 1.28 -0.73 0.00 0.00 179.01 179.95 2dk9 n LEU 55 N -4.82 0.00 -0.05 1.64 4.77 -0.88 -2.54 117.00 115.12 2dk9 n LEU 55 Ca -0.09 0.48 0.03 0.00 -0.03 0.00 0.00 56.01 56.40 2dk9 n LEU 55 Cb 0.29 -0.48 0.37 0.00 -2.33 0.00 0.00 43.42 41.27 2dk9 n LEU 55 CO 0.33 -0.01 1.16 -0.61 -1.33 0.00 0.00 177.39 176.93 2dk9 h GLN 56 N 0.00 0.65 0.00 3.23 4.15 0.11 -3.26 115.11 119.99 2dk9 h GLN 56 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2dk9 h GLN 56 Cb 0.47 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2dk9 h GLN 56 CO 0.00 0.45 -0.99 0.41 -1.93 0.00 0.00 178.83 176.77 2dk9 n GLY 57 N -1.40 0.00 0.37 2.39 0.00 -1.24 -4.69 105.19 100.62 2dk9 n GLY 57 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 0.49 0.00 0.99 4.07 -1.57 -3.45 115.31 115.84 2dk9 h LEU 58 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2dk9 h LEU 58 Cb 0.30 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2dk9 h LEU 58 CO 0.00 0.27 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 2dk9 n GLY 59 N -1.49 2.17 0.10 0.83 0.00 -1.23 -5.00 105.19 100.58 2dk9 n GLY 59 Ca 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.14 -0.66 4.61 0.00 -1.82 -2.30 119.26 118.95 2dk9 h ALA 60 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2dk9 h ALA 60 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2dk9 h ALA 60 CO 0.00 -0.16 0.41 1.25 0.00 0.00 0.00 179.25 180.75 2dk9 h LEU 61 N -0.97 0.67 -0.66 0.00 6.46 -1.89 -0.71 115.31 118.21 2dk9 h LEU 61 Ca -0.01 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 2dk9 h LEU 61 Cb 0.43 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2dk9 h LEU 61 CO 0.02 0.46 0.19 -0.08 -0.62 0.00 0.00 178.44 178.41 2dk9 h GLU 62 N 0.80 1.04 -0.49 1.25 4.81 -1.95 -0.69 114.58 119.35 2dk9 h GLU 62 Ca 0.27 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2dk9 h GLU 62 Cb 0.03 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2dk9 h GLU 62 CO -0.11 0.92 0.16 0.00 -0.73 0.00 0.00 179.01 179.25 2dk9 h ALA 63 N 1.07 0.64 0.04 2.92 0.00 -0.89 0.73 119.26 123.77 2dk9 h ALA 63 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dk9 h ALA 63 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dk9 h ALA 63 CO -0.00 0.29 -0.02 1.15 0.00 0.00 0.00 179.25 180.67 2dk9 h THR 64 N 0.66 1.18 -0.61 0.00 2.02 -0.98 0.32 112.91 115.49 2dk9 h THR 64 Ca 0.16 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2dk9 h THR 64 Cb 0.26 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2dk9 h THR 64 CO -0.01 0.18 0.36 0.00 0.37 0.00 0.00 175.52 176.42 2dk9 h ALA 65 N 0.57 0.78 -0.47 6.16 0.00 -1.09 0.33 119.26 125.54 2dk9 h ALA 65 Ca -0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2dk9 h ALA 65 Cb 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 65 CO 0.01 0.27 -0.05 2.35 0.00 0.00 0.00 179.25 181.83 2dk9 h TRP 66 N 0.83 0.95 -0.36 0.00 7.01 -0.84 -1.64 115.95 121.90 2dk9 h TRP 66 Ca 0.22 -0.19 -0.17 0.00 2.11 0.00 0.00 58.89 60.86 2dk9 h TRP 66 Cb -0.00 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 26.82 2dk9 h TRP 66 CO -0.02 0.93 -0.44 0.00 -2.79 0.00 0.00 178.44 176.13 2dk9 h ALA 67 N 0.90 0.54 -0.27 2.65 0.00 -0.67 -2.20 119.26 120.21 2dk9 h ALA 67 Ca 0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2dk9 h ALA 67 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2dk9 h ALA 67 CO 0.03 0.68 0.05 -0.07 0.00 0.00 0.00 179.25 179.94 2dk9 h LEU 68 N 0.74 0.43 -0.10 0.00 4.07 -0.29 0.46 115.31 120.62 2dk9 h LEU 68 Ca 0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 2dk9 h LEU 68 Cb 1.04 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.66 2dk9 h LEU 68 CO 0.10 0.58 0.02 0.50 -1.08 0.00 0.00 178.44 178.56 2dk9 h LYS 69 N 0.26 0.16 -0.30 1.13 3.64 -1.33 -1.65 116.57 118.48 2dk9 h LYS 69 Ca 0.08 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 2dk9 h LYS 69 Cb 0.33 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2dk9 h LYS 69 CO 0.00 0.35 -0.17 0.28 -2.27 0.00 0.00 179.45 177.64 2dk9 h VAL 70 N -0.06 1.30 -0.52 2.00 2.07 -1.40 -0.22 116.25 119.42 2dk9 h VAL 70 Ca 0.03 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.32 2dk9 h VAL 70 Cb 0.27 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 2dk9 h VAL 70 CO 0.00 0.41 0.21 0.00 0.02 0.00 0.00 177.57 178.21 2dk9 h ALA 71 N 0.74 0.64 -0.28 1.67 0.00 -0.07 0.93 119.26 122.90 2dk9 h ALA 71 Ca 0.06 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2dk9 h ALA 71 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2dk9 h ALA 71 CO 0.05 -0.18 -0.43 1.05 0.00 0.00 0.00 179.25 179.74 2dk9 h GLU 72 N 0.40 0.69 -0.33 0.00 4.11 -1.26 0.42 114.58 118.61 2dk9 h GLU 72 Ca 0.24 -0.37 -0.13 0.00 0.07 0.00 0.00 59.36 59.17 2dk9 h GLU 72 Cb 0.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2dk9 h GLU 72 CO -0.23 0.98 -0.31 -0.91 0.07 0.00 0.00 179.01 178.62 2dk9 h ASN 73 N 0.56 0.85 0.18 3.06 4.21 -0.05 0.89 115.58 125.28 2dk9 h ASN 73 Ca 0.04 -0.46 -0.27 0.00 1.21 0.00 0.00 56.30 56.82 2dk9 h ASN 73 Cb 0.97 -0.24 0.02 0.00 -1.12 0.00 0.00 38.32 37.95 2dk9 h ASN 73 CO 0.09 1.13 -1.22 -0.33 -1.29 0.00 0.00 177.43 175.81 2dk9 h GLU 74 N 0.57 0.39 0.08 0.81 3.07 0.87 -3.39 114.58 116.98 2dk9 h GLU 74 Ca 0.06 -0.67 -0.35 0.00 -0.50 0.00 0.00 59.36 57.90 2dk9 h GLU 74 Cb 0.89 0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 29.02 2dk9 h GLU 74 CO 0.08 1.32 -1.92 -0.11 -1.40 0.00 0.00 179.01 176.98 2dk9 n LEU 75 N -3.91 2.49 0.00 1.33 0.00 0.15 -5.02 117.00 112.04 2dk9 n LEU 75 Ca -0.17 0.22 0.00 0.00 0.00 0.00 0.00 56.01 56.06 2dk9 n LEU 75 Cb 0.96 -1.06 0.00 0.00 0.00 0.00 0.00 43.42 43.32 2dk9 n LEU 75 CO 0.52 0.74 0.00 0.61 0.00 0.00 0.00 177.39 179.26 2dk9 n GLY 76 N 1.88 1.51 3.68 -3.96 0.00 0.31 -5.00 105.19 103.61 2dk9 n GLY 76 Ca -0.34 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 5.12 -0.08 -0.61 -1.09 -1.22 -5.00 121.20 116.32 2dk9 s ILE 77 Ca 0.00 0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 59.10 2dk9 s ILE 77 Cb 0.00 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2dk9 s ILE 77 CO 0.00 0.21 1.28 -0.89 -1.23 0.00 0.00 174.94 174.31 2dk9 s THR 78 N 1.37 4.13 0.42 2.92 2.01 -1.26 -4.32 115.64 120.90 2dk9 s THR 78 Ca 0.25 1.44 -0.25 0.00 0.31 0.00 0.00 61.69 63.44 2dk9 s THR 78 Cb -0.15 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 2dk9 s THR 78 CO 0.10 -0.05 1.17 -2.65 -0.69 0.00 0.00 174.62 172.51 2dk9 n PRO 79 N 5.77 1.70 0.00 4.92 -0.02 -1.26 -4.93 135.00 141.19 2dk9 n PRO 79 Ca 0.13 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2dk9 n PRO 79 Cb 0.45 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.30 0.20 -3.76 -1.45 0.31 -1.26 -5.08 118.33 106.99 2dk9 n VAL 80 Ca 0.08 -0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 63.97 2dk9 n VAL 80 Cb 0.39 1.20 -0.08 0.00 -0.91 0.00 0.00 33.84 34.44 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 -0.20 0.06 0.26 2.52 -7.23 -1.26 -4.89 120.40 109.65 2dk9 s VAL 81 Ca 0.00 -0.49 -0.16 0.00 -1.81 0.00 0.00 61.98 59.52 2dk9 s VAL 81 Cb 0.00 -0.66 -0.08 0.00 0.56 0.00 0.00 36.38 36.20 2dk9 s VAL 81 CO 0.00 -0.27 0.69 -0.44 -0.31 0.00 0.00 175.10 174.77 2dk9 s SER 82 N -1.42 6.85 0.21 4.85 0.01 -1.26 -4.99 113.70 117.95 2dk9 s SER 82 Ca -0.12 1.26 -0.10 0.00 1.31 0.00 0.00 55.95 58.29 2dk9 s SER 82 Cb -0.05 -2.36 0.20 0.00 0.21 0.00 0.00 66.02 64.02 2dk9 s SER 82 CO 0.03 -0.08 1.83 0.00 0.41 0.00 0.00 173.24 175.44 2dk9 h ALA 83 N 2.81 0.89 -0.74 1.44 0.00 -1.94 -1.78 119.26 119.94 2dk9 h ALA 83 Ca -0.48 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2dk9 h ALA 83 Cb 1.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2dk9 h ALA 83 CO 0.66 0.15 0.49 0.37 0.00 0.00 0.00 179.25 180.92 2dk9 h GLN 84 N 0.79 0.91 -0.22 0.00 4.15 -1.94 0.31 115.11 119.10 2dk9 h GLN 84 Ca 0.28 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 2dk9 h GLN 84 Cb 0.07 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 2dk9 h GLN 84 CO -0.13 0.60 -0.12 0.00 -1.93 0.00 0.00 178.83 177.25 2dk9 h ALA 85 N 1.56 0.31 -0.09 3.38 0.00 -1.75 -1.60 119.26 121.07 2dk9 h ALA 85 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2dk9 h ALA 85 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dk9 h ALA 85 CO -0.08 0.17 0.02 0.28 0.00 0.00 0.00 179.25 179.64 2dk9 h VAL 86 N 0.18 1.21 -0.53 0.00 2.07 -0.92 0.60 116.25 118.85 2dk9 h VAL 86 Ca 0.05 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2dk9 h VAL 86 Cb 0.62 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2dk9 h VAL 86 CO 0.03 0.18 0.27 1.62 0.02 0.00 0.00 177.57 179.70 2dk9 h VAL 87 N -0.08 1.17 0.00 2.57 3.04 -0.99 -1.95 116.25 120.01 2dk9 h VAL 87 Ca 0.03 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2dk9 h VAL 87 Cb 0.27 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2dk9 h VAL 87 CO 0.00 0.19 -0.58 0.00 -1.01 0.00 0.00 177.57 176.18 2dk9 n ALA 88 N -2.46 3.08 -2.94 3.17 0.00 -0.60 -4.49 120.51 116.27 2dk9 n ALA 88 Ca 0.05 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2dk9 n ALA 88 Cb 0.11 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 1.39 -0.50 1.68 0.00 0.00 0.20 -4.89 105.19 103.07 2dk9 n GLY 89 Ca 0.04 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 2dk9 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk9 n SER 90 N -2.41 3.35 -3.00 1.61 7.64 -0.75 -4.68 113.62 115.38 2dk9 n SER 90 Ca -0.13 -3.73 -0.17 0.00 1.01 0.00 0.00 58.87 55.85 2dk9 n SER 90 Cb 0.63 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 2dk9 n SER 90 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dk9 n ASP 91 N -1.11 -1.17 -0.22 6.43 9.92 -1.26 -4.99 116.55 124.14 2dk9 n ASP 91 Ca 0.46 -2.95 -0.07 0.00 -0.53 0.00 0.00 54.79 51.70 2dk9 n ASP 91 Cb 1.26 0.43 0.04 0.00 -0.64 0.00 0.00 41.12 42.20 2dk9 n ASP 91 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2dk9 h PRO 92 N 4.03 0.90 -0.55 -0.24 0.13 -1.93 -2.30 132.00 132.04 2dk9 h PRO 92 Ca -0.02 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2dk9 h PRO 92 Cb 0.95 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 2dk9 h PRO 92 CO 0.40 0.70 0.36 1.25 -0.23 0.00 0.00 178.00 180.48 2dk9 h LEU 93 N 0.86 0.62 -1.34 1.56 5.85 -2.00 -2.14 115.31 118.72 2dk9 h LEU 93 Ca 0.22 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2dk9 h LEU 93 Cb 0.09 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2dk9 h LEU 93 CO -0.03 0.45 -0.12 1.23 -0.34 0.00 0.00 178.44 179.63 2dk9 h GLY 94 N 0.74 0.32 0.97 3.75 0.00 -1.86 -2.50 103.07 104.49 2dk9 h GLY 94 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2dk9 h GLY 94 CO -0.05 0.18 0.12 -2.00 0.00 0.00 0.00 176.54 174.80 2dk9 h LEU 95 N 0.28 0.75 -0.40 3.11 6.46 -0.82 -0.38 115.31 124.30 2dk9 h LEU 95 Ca 0.06 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.54 2dk9 h LEU 95 Cb 0.39 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 2dk9 h LEU 95 CO 0.02 0.78 0.08 0.40 -0.62 0.00 0.00 178.44 179.10 2dk9 h ILE 96 N 0.68 1.24 -0.68 4.05 1.08 -1.19 0.68 117.51 123.36 2dk9 h ILE 96 Ca 0.16 -0.83 -0.08 0.00 -0.39 0.00 0.00 64.86 63.72 2dk9 h ILE 96 Cb 0.33 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 2dk9 h ILE 96 CO 0.00 0.29 0.13 0.00 -0.69 0.00 0.00 178.15 177.87 2dk9 h ALA 97 N 0.93 0.94 -0.15 1.87 0.00 -1.34 -1.85 119.26 119.66 2dk9 h ALA 97 Ca 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2dk9 h ALA 97 Cb 0.34 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 97 CO 0.00 0.67 -0.12 -0.92 0.00 0.00 0.00 179.25 178.88 2dk9 h TYR 98 N 1.04 0.41 -0.28 0.00 3.20 -0.92 -2.90 116.97 117.52 2dk9 h TYR 98 Ca 0.21 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.97 2dk9 h TYR 98 Cb 0.42 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2dk9 h TYR 98 CO 0.03 0.71 0.19 1.25 -1.64 0.00 0.00 178.16 178.70 2dk9 h LEU 99 N -0.01 0.30 -0.36 2.82 6.46 -0.78 -2.10 115.31 121.64 2dk9 h LEU 99 Ca 0.03 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 2dk9 h LEU 99 Cb 0.63 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2dk9 h LEU 99 CO 0.03 0.21 -0.01 -1.28 -0.62 0.00 0.00 178.44 176.77 2dk9 h SER 100 N 0.35 0.63 -0.18 1.25 0.87 -1.23 -1.28 113.55 113.96 2dk9 h SER 100 Ca 0.11 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2dk9 h SER 100 Cb 0.01 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2dk9 h SER 100 CO -0.02 0.79 0.08 -0.74 -0.53 0.00 0.00 176.83 176.41 2dk9 h HIS 101 N 0.45 0.26 -0.34 2.24 -0.00 -1.20 -1.67 115.15 114.89 2dk9 h HIS 101 Ca 0.10 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 2dk9 h HIS 101 Cb 0.48 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 2dk9 h HIS 101 CO 0.04 0.29 0.07 0.74 -0.00 0.00 0.00 177.93 179.07 2dk9 h PHE 102 N 0.15 0.50 -0.14 5.26 -1.00 -1.39 -0.97 116.94 119.35 2dk9 h PHE 102 Ca 0.06 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 2dk9 h PHE 102 Cb 0.13 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2dk9 h PHE 102 CO -0.02 0.45 -0.00 1.25 -1.61 0.00 0.00 178.31 178.37 2dk9 h HIS 103 N 0.49 0.28 -0.53 -0.55 2.76 -0.89 0.19 115.15 116.90 2dk9 h HIS 103 Ca 0.11 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 2dk9 h HIS 103 Cb 0.21 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2dk9 h HIS 103 CO 0.01 0.48 0.06 1.03 -1.30 0.00 0.00 177.93 178.21 2dk9 h SER 104 N -0.01 0.86 -0.58 3.26 0.87 -1.06 -1.33 113.55 115.56 2dk9 h SER 104 Ca 0.04 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.24 2dk9 h SER 104 Cb 0.37 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2dk9 h SER 104 CO 0.01 0.92 0.04 0.00 -0.53 0.00 0.00 176.83 177.27 2dk9 h ALA 105 N 0.97 0.77 -0.48 6.23 0.00 -1.15 -1.77 119.26 123.83 2dk9 h ALA 105 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2dk9 h ALA 105 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2dk9 h ALA 105 CO 0.02 0.57 0.03 0.74 0.00 0.00 0.00 179.25 180.61 2dk9 h PHE 106 N 0.88 0.90 -0.41 0.00 -1.00 -0.82 -0.81 116.94 115.68 2dk9 h PHE 106 Ca 0.17 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2dk9 h PHE 106 Cb 0.50 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 2dk9 h PHE 106 CO 0.04 0.85 0.17 0.87 -1.61 0.00 0.00 178.31 178.62 2dk9 h LYS 107 N 0.70 0.61 0.14 1.51 1.79 -1.13 -3.16 116.57 117.02 2dk9 h LYS 107 Ca 0.14 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2dk9 h LYS 107 Cb 0.46 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2dk9 h LYS 107 CO 0.02 0.56 -0.07 0.77 -1.08 0.00 0.00 179.45 179.66 2dk9 h SER 108 N 0.52 -0.16 0.00 0.86 0.02 -1.23 -3.51 113.55 110.04 2dk9 h SER 108 Ca 0.14 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2dk9 h SER 108 Cb 0.18 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2dk9 h SER 108 CO -0.01 0.11 0.00 0.80 -1.14 0.00 0.00 176.83 176.58