#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 -0.89 3.73 -5.12 0.00 -1.26 -5.15 105.19 96.49 2dk9 n GLY -7 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2dk9 n GLY -7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dk9 s HIS -6 N -3.68 2.36 -0.26 1.61 5.65 -1.26 -5.01 115.29 114.70 2dk9 s HIS -6 Ca 0.00 1.28 -0.08 0.00 0.25 0.00 0.00 55.06 56.51 2dk9 s HIS -6 Cb 0.00 -3.15 -0.13 0.00 -1.18 0.00 0.00 32.58 28.12 2dk9 s HIS -6 CO 0.00 -2.31 -0.30 0.72 -0.65 0.00 0.00 174.74 172.20 2dk9 n HIS -5 N -3.83 0.00 -2.63 3.88 -0.00 -1.26 -5.00 115.22 106.38 2dk9 n HIS -5 Ca 0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.59 2dk9 n HIS -5 Cb 0.55 -0.95 0.01 0.00 -0.00 0.00 0.00 29.99 29.60 2dk9 n HIS -5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -4 N -3.85 -1.33 -3.54 4.41 -0.00 -1.26 -4.96 115.22 104.69 2dk9 n HIS -4 Ca -0.49 0.21 -0.15 0.00 -0.00 0.00 0.00 57.72 57.28 2dk9 n HIS -4 Cb 0.90 -4.05 -0.06 0.00 -0.00 0.00 0.00 29.99 26.79 2dk9 n HIS -4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dk9 s HIS -3 N -3.06 -0.56 -0.49 1.57 0.09 -1.26 -5.11 115.29 106.47 2dk9 s HIS -3 Ca 0.12 0.94 0.06 0.00 -0.00 0.00 0.00 55.06 56.19 2dk9 s HIS -3 Cb -0.05 0.43 0.23 0.00 -0.00 0.00 0.00 32.58 33.19 2dk9 s HIS -3 CO 0.15 -0.53 0.84 1.58 -0.00 0.00 0.00 174.74 176.78 2dk9 n HIS -2 N 0.82 -3.26 -0.03 1.40 -0.00 -1.26 -4.97 115.22 107.91 2dk9 n HIS -2 Ca -0.16 -1.79 -0.03 0.00 -0.00 0.00 0.00 57.72 55.74 2dk9 n HIS -2 Cb 0.57 1.45 -0.05 0.00 -0.00 0.00 0.00 29.99 31.96 2dk9 n HIS -2 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2dk9 n HIS -1 N 1.86 0.00 -3.53 1.57 -0.00 -1.26 -5.05 115.22 108.81 2dk9 n HIS -1 Ca 0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.60 2dk9 n HIS -1 Cb 0.61 -0.30 0.03 0.00 -0.00 0.00 0.00 29.99 30.33 2dk9 n HIS -1 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2dk9 s MET 0 N -2.15 2.24 0.00 -1.40 1.00 -1.26 -4.74 119.30 113.00 2dk9 s MET 0 Ca -0.03 -1.90 0.00 0.00 0.00 0.00 0.00 55.69 53.76 2dk9 s MET 0 Cb 0.02 -2.32 0.00 0.00 0.00 0.00 0.00 34.83 32.53 2dk9 s MET 0 CO 0.25 -0.78 0.00 0.41 0.00 0.00 0.00 175.02 174.90 2dk9 n GLY 1 N -2.01 1.94 0.10 -0.03 0.00 -1.26 -4.87 105.19 99.06 2dk9 n GLY 1 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2dk9 n GLY 1 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dk9 h SER 2 N 0.82 0.25 0.15 1.61 0.02 -2.00 -3.19 113.55 111.21 2dk9 h SER 2 Ca 0.00 -0.42 -0.30 0.00 -0.84 0.00 0.00 61.79 60.23 2dk9 h SER 2 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2dk9 h SER 2 CO 0.00 1.36 -1.53 0.00 -1.14 0.00 0.00 176.83 175.51 2dk9 h ALA 3 N 0.60 0.16 0.00 3.77 0.00 -1.90 -3.34 119.26 118.55 2dk9 h ALA 3 Ca -0.27 -1.10 -0.02 0.00 0.00 0.00 0.00 54.91 53.52 2dk9 h ALA 3 Cb 2.00 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 20.24 2dk9 h ALA 3 CO 0.12 0.89 -0.12 0.78 0.00 0.00 0.00 179.25 180.92 2dk9 h GLY 4 N 0.30 0.00 0.81 0.00 0.00 -1.95 -2.95 103.07 99.27 2dk9 h GLY 4 Ca -0.32 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2dk9 h GLY 4 CO 0.11 0.00 -0.44 -0.91 0.00 0.00 0.00 176.54 175.30 2dk9 h THR 5 N 0.00 0.11 -0.23 4.70 1.35 -1.67 -0.02 112.91 117.15 2dk9 h THR 5 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2dk9 h THR 5 Cb 0.40 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 2dk9 h THR 5 CO 0.02 0.00 -0.05 -0.61 -0.25 0.00 0.00 175.52 174.63 2dk9 h GLN 6 N -1.08 0.34 -0.25 4.72 4.15 -1.72 -2.84 115.11 118.43 2dk9 h GLN 6 Ca -0.09 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 2dk9 h GLN 6 Cb 0.87 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2dk9 h GLN 6 CO 0.08 0.41 0.10 0.93 -1.93 0.00 0.00 178.83 178.42 2dk9 h GLU 7 N 0.33 0.38 -0.14 1.69 4.39 -1.31 -2.51 114.58 117.41 2dk9 h GLU 7 Ca 0.07 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2dk9 h GLU 7 Cb 0.30 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2dk9 h GLU 7 CO 0.01 0.43 -0.04 1.05 -1.16 0.00 0.00 179.01 179.30 2dk9 h GLU 8 N 0.25 0.20 -0.07 2.33 4.11 -0.78 -1.84 114.58 118.78 2dk9 h GLU 8 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 2dk9 h GLU 8 Cb 0.19 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2dk9 h GLU 8 CO -0.01 0.26 -0.00 -0.07 0.07 0.00 0.00 179.01 179.26 2dk9 h LEU 9 N 0.20 0.12 -0.88 3.06 3.38 -1.27 -2.53 115.31 117.39 2dk9 h LEU 9 Ca 0.05 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2dk9 h LEU 9 Cb 0.21 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2dk9 h LEU 9 CO 0.01 0.42 0.24 0.25 0.09 0.00 0.00 178.44 179.45 2dk9 h LEU 10 N -0.18 0.98 -0.86 1.67 5.85 -1.21 -2.46 115.31 119.10 2dk9 h LEU 10 Ca 0.02 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2dk9 h LEU 10 Cb 0.36 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2dk9 h LEU 10 CO 0.00 0.90 0.57 0.03 -0.34 0.00 0.00 178.44 179.61 2dk9 h ARG 11 N 1.03 1.13 -0.33 1.25 2.47 -1.28 -0.75 114.38 117.88 2dk9 h ARG 11 Ca 0.23 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.77 2dk9 h ARG 11 Cb 0.26 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2dk9 h ARG 11 CO -0.01 0.74 -0.25 2.35 0.56 0.00 0.00 179.97 183.37 2dk9 h TRP 12 N 1.16 0.76 -0.20 3.04 7.01 -1.16 -1.61 115.95 124.94 2dk9 h TRP 12 Ca 0.32 -0.17 -0.07 0.00 2.11 0.00 0.00 58.89 61.08 2dk9 h TRP 12 Cb -0.11 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 26.76 2dk9 h TRP 12 CO -0.01 0.85 -0.13 0.00 -2.79 0.00 0.00 178.44 176.36 2dk9 h GLN 14 N 0.13 0.56 -0.26 0.00 3.07 -1.12 -2.05 115.11 115.44 2dk9 h GLN 14 Ca 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 58.65 58.53 2dk9 h GLN 14 Cb 0.64 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 2dk9 h GLN 14 CO 0.04 0.75 -0.01 0.93 0.09 0.00 0.00 178.83 180.63 2dk9 h GLU 15 N 0.50 0.47 -0.28 0.06 5.08 -1.26 -2.30 114.58 116.85 2dk9 h GLU 15 Ca 0.07 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2dk9 h GLU 15 Cb 0.67 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2dk9 h GLU 15 CO 0.05 0.64 -0.11 1.96 -1.00 0.00 0.00 179.01 180.55 2dk9 h GLN 16 N 0.24 0.47 -0.19 2.33 1.08 -1.28 -2.03 115.11 115.72 2dk9 h GLN 16 Ca 0.07 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2dk9 h GLN 16 Cb 0.44 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2dk9 h GLN 16 CO 0.02 0.58 0.00 -2.37 -0.95 0.00 0.00 178.83 176.11 2dk9 n THR 17 N -4.22 0.25 -2.94 -0.54 5.66 -0.78 -4.72 114.28 106.99 2dk9 n THR 17 Ca 0.01 -0.29 -0.41 0.00 -3.05 0.00 0.00 64.05 60.30 2dk9 n THR 17 Cb 0.31 0.17 -0.04 0.00 -1.55 0.00 0.00 70.33 69.22 2dk9 n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dk9 s ALA 18 N -1.75 3.46 0.00 1.79 0.00 -0.76 -4.17 121.76 120.32 2dk9 s ALA 18 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2dk9 s ALA 18 Cb 0.12 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2dk9 s ALA 18 CO 0.17 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2dk9 n GLY 19 N 3.39 0.95 3.76 0.00 0.00 -1.26 -5.04 105.19 106.99 2dk9 n GLY 19 Ca 0.03 0.00 -0.40 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 0.00 3.96 -1.00 1.61 1.51 -1.26 -4.94 117.35 117.23 2dk9 s TYR 20 Ca 0.00 1.81 -0.06 0.00 -1.01 0.00 0.00 57.07 57.81 2dk9 s TYR 20 Cb 0.00 -2.90 -0.06 0.00 -0.11 0.00 0.00 41.96 38.90 2dk9 s TYR 20 CO 0.00 0.48 2.21 -0.35 -1.11 0.00 0.00 175.55 176.79 2dk9 n PRO 21 N 1.53 2.28 0.00 -1.71 -0.04 -1.26 -2.93 135.00 132.86 2dk9 n PRO 21 Ca -0.03 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 2dk9 n PRO 21 Cb 0.48 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 3.74 0.00 3.27 0.55 0.00 -1.26 -5.15 105.19 106.34 2dk9 n GLY 22 Ca 0.49 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 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 3.07 -0.32 1.61 0.11 -1.15 -5.06 120.40 118.66 2dk9 s VAL 23 Ca 0.00 -0.60 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 2dk9 s VAL 23 Cb 0.00 -2.37 0.12 0.00 -1.53 0.00 0.00 36.38 32.60 2dk9 s VAL 23 CO 0.00 0.46 0.18 -1.00 -3.33 0.00 0.00 175.10 171.41 2dk9 s HIS 24 N 1.35 0.45 -0.32 1.54 3.76 -1.26 -4.96 115.29 115.85 2dk9 s HIS 24 Ca 0.04 -1.21 -0.03 0.00 -0.15 0.00 0.00 55.06 53.72 2dk9 s HIS 24 Cb -0.14 -0.86 0.05 0.00 1.11 0.00 0.00 32.58 32.74 2dk9 s HIS 24 CO -0.05 -0.84 0.03 0.08 -0.85 0.00 0.00 174.74 173.12 2dk9 s VAL 25 N 1.58 3.13 0.00 -0.90 1.01 -1.26 -4.87 120.40 119.10 2dk9 s VAL 25 Ca 0.14 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 60.75 2dk9 s VAL 25 Cb -0.19 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.42 2dk9 s VAL 25 CO -0.17 -0.17 0.85 -0.24 0.00 0.00 0.00 175.10 175.37 2dk9 n SER 26 N 4.65 -0.00 -4.15 3.32 2.88 -1.26 -4.73 113.62 114.32 2dk9 n SER 26 Ca -0.12 -1.65 -0.10 0.00 -1.33 0.00 0.00 58.87 55.68 2dk9 n SER 26 Cb 0.43 -0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.73 2dk9 n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dk9 s ASP 27 N -0.79 0.72 -0.56 -3.46 2.15 -1.26 -5.05 116.67 108.42 2dk9 s ASP 27 Ca 0.05 -1.08 0.02 0.00 0.43 0.00 0.00 52.55 51.97 2dk9 s ASP 27 Cb 0.06 0.19 0.43 0.00 -0.30 0.00 0.00 42.92 43.29 2dk9 s ASP 27 CO -0.03 -0.59 1.65 0.18 -0.17 0.00 0.00 175.17 176.21 2dk9 n LEU 28 N -0.03 6.43 0.00 -1.34 4.77 -1.26 -4.36 117.00 121.20 2dk9 n LEU 28 Ca -0.10 -4.67 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 2dk9 n LEU 28 Cb 0.62 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2dk9 n LEU 28 CO 0.30 1.83 0.00 -1.20 -1.33 0.00 0.00 177.39 176.99 2dk9 n SER 29 N -0.72 0.00 -0.02 -1.43 7.64 -1.26 -4.57 113.62 113.26 2dk9 n SER 29 Ca 0.52 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.38 2dk9 n SER 29 Cb 0.67 0.03 0.22 0.00 -1.01 0.00 0.00 64.21 64.12 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 0.55 -0.21 6.43 0.02 -1.87 -2.45 113.55 116.02 2dk9 h SER 30 Ca 0.00 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 2dk9 h SER 30 Cb 0.00 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2dk9 h SER 30 CO 0.00 0.70 0.30 0.28 -1.14 0.00 0.00 176.83 176.97 2dk9 h SER 31 N 0.52 0.00 -0.34 3.07 0.02 -1.90 0.27 113.55 115.19 2dk9 h SER 31 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2dk9 h SER 31 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2dk9 h SER 31 CO 0.03 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.51 2dk9 n TRP 32 N -3.54 0.45 0.23 3.45 7.02 -0.94 -4.49 117.44 119.63 2dk9 n TRP 32 Ca 0.03 -0.40 -0.17 0.00 -1.02 0.00 0.00 57.50 55.94 2dk9 n TRP 32 Cb 0.42 -0.02 -0.09 0.00 -2.42 0.00 0.00 31.31 29.20 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 2.52 -1.09 0.00 6.99 0.00 -0.30 -1.92 119.26 125.45 2dk9 h ALA 33 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2dk9 h ALA 33 Cb 0.74 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2dk9 h ALA 33 CO 0.00 -1.14 0.00 -0.40 0.00 0.00 0.00 179.25 177.71 2dk9 n ASP 34 N -5.29 0.00 -2.35 0.00 5.68 -1.26 -4.11 116.55 109.22 2dk9 n ASP 34 Ca -0.10 -0.56 -0.17 0.00 -0.50 0.00 0.00 54.79 53.46 2dk9 n ASP 34 Cb 0.42 -0.14 0.03 0.00 -1.14 0.00 0.00 41.12 40.29 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 1.08 -0.19 0.29 6.12 0.00 -0.72 -4.47 105.19 107.30 2dk9 n GLY 35 Ca 0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.19 1.01 -0.21 0.99 3.38 -1.83 -2.23 115.31 115.22 2dk9 h LEU 36 Ca -0.39 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 2dk9 h LEU 36 Cb 1.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2dk9 h LEU 36 CO 0.42 1.12 0.05 0.00 0.09 0.00 0.00 178.44 180.12 2dk9 h ALA 37 N 0.96 0.28 -0.35 1.53 0.00 -1.91 0.13 119.26 119.90 2dk9 h ALA 37 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dk9 h ALA 37 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2dk9 h ALA 37 CO 0.05 -0.07 0.19 -0.07 0.00 0.00 0.00 179.25 179.35 2dk9 h LEU 38 N 0.17 0.44 -0.41 0.00 4.07 -1.95 -1.49 115.31 116.14 2dk9 h LEU 38 Ca 0.07 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 2dk9 h LEU 38 Cb 0.27 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2dk9 h LEU 38 CO 0.00 0.41 -0.08 0.00 -1.08 0.00 0.00 178.44 177.69 2dk9 h ALA 40 N 0.85 0.41 0.24 0.00 0.00 -0.58 0.93 119.26 121.12 2dk9 h ALA 40 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dk9 h ALA 40 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2dk9 h ALA 40 CO 0.04 -0.23 -0.12 -0.07 0.00 0.00 0.00 179.25 178.88 2dk9 h LEU 41 N 0.32 -0.27 -0.79 0.00 3.38 -1.24 -1.04 115.31 115.68 2dk9 h LEU 41 Ca 0.15 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2dk9 h LEU 41 Cb 0.08 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2dk9 h LEU 41 CO -0.12 -0.20 0.50 0.58 0.09 0.00 0.00 178.44 179.30 2dk9 h VAL 42 N -0.32 1.11 -0.74 1.22 2.07 -1.27 -1.81 116.25 116.51 2dk9 h VAL 42 Ca -0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2dk9 h VAL 42 Cb 0.25 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 2dk9 h VAL 42 CO 0.05 0.18 0.42 0.22 0.02 0.00 0.00 177.57 178.46 2dk9 h TYR 43 N 0.97 0.99 -0.80 1.57 3.20 -0.56 0.34 116.97 122.67 2dk9 h TYR 43 Ca 0.32 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 2dk9 h TYR 43 Cb 0.03 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.94 2dk9 h TYR 43 CO -0.03 0.68 0.35 -0.09 -1.64 0.00 0.00 178.16 177.42 2dk9 h ARG 44 N 1.03 1.17 0.12 1.82 2.43 -0.34 0.90 114.38 121.50 2dk9 h ARG 44 Ca 0.26 -0.20 -0.27 0.00 -0.81 0.00 0.00 59.98 58.96 2dk9 h ARG 44 Cb -0.00 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2dk9 h ARG 44 CO -0.05 0.93 -1.21 -0.07 -1.51 0.00 0.00 179.97 178.07 2dk9 h LEU 45 N 1.15 0.52 -5.95 3.80 -0.00 -1.00 -3.41 115.31 110.43 2dk9 h LEU 45 Ca 0.27 -0.52 -0.49 0.00 -0.00 0.00 0.00 57.88 57.13 2dk9 h LEU 45 Cb 0.18 -0.17 -0.33 0.00 -0.00 0.00 0.00 40.66 40.33 2dk9 h LEU 45 CO -0.03 1.38 -0.92 0.00 -0.00 0.00 0.00 178.44 178.88 2dk9 n GLN 46 N -3.62 0.45 0.22 1.13 6.02 0.11 -4.97 117.38 116.72 2dk9 n GLN 46 Ca -0.09 -2.92 0.08 0.00 -0.01 0.00 0.00 57.00 54.06 2dk9 n GLN 46 Cb 0.99 -1.48 0.50 0.00 1.02 0.00 0.00 30.24 31.28 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 4.88 0.00 0.00 -1.09 0.13 0.65 -2.81 132.00 133.76 2dk9 h PRO 47 Ca 0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.16 2dk9 h PRO 47 Cb 0.94 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 2dk9 h PRO 47 CO 0.35 0.26 -0.52 0.78 -0.23 0.00 0.00 178.00 178.64 2dk9 h GLY 48 N 1.32 0.00 -3.18 1.56 0.00 -1.94 -3.16 103.07 97.67 2dk9 h GLY 48 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2dk9 h GLY 48 CO 0.03 0.00 -0.06 1.04 0.00 0.00 0.00 176.54 177.55 2dk9 n LEU 49 N -3.72 5.40 -3.90 3.11 4.77 -1.07 -5.00 117.00 116.59 2dk9 n LEU 49 Ca -0.01 -4.23 -0.09 0.00 -0.03 0.00 0.00 56.01 51.65 2dk9 n LEU 49 Cb 0.57 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 2dk9 n LEU 49 CO 0.40 1.59 0.03 -0.76 -1.33 0.00 0.00 177.39 177.32 2dk9 s LEU 50 N -3.51 0.84 -0.44 2.23 2.01 -1.16 -5.00 118.68 113.64 2dk9 s LEU 50 Ca 0.52 -0.76 0.08 0.00 0.01 0.00 0.00 54.13 53.98 2dk9 s LEU 50 Cb 0.44 1.36 0.29 0.00 0.01 0.00 0.00 46.19 48.29 2dk9 s LEU 50 CO 0.01 -0.90 0.87 -0.62 1.01 0.00 0.00 176.35 176.72 2dk9 n GLU 51 N -0.22 0.88 0.23 1.70 1.02 -1.26 -4.92 120.64 118.07 2dk9 n GLU 51 Ca -0.09 -2.38 0.16 0.00 -0.02 0.00 0.00 57.16 54.83 2dk9 n GLU 51 Cb 0.63 -1.33 0.83 0.00 -0.02 0.00 0.00 31.44 31.55 2dk9 n GLU 51 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dk9 h PRO 52 N 3.48 0.00 -0.60 3.49 0.13 -1.96 -1.61 132.00 134.93 2dk9 h PRO 52 Ca -0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2dk9 h PRO 52 Cb 1.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2dk9 h PRO 52 CO 0.32 0.00 0.13 1.03 -0.23 0.00 0.00 178.00 179.25 2dk9 h SER 53 N 0.00 0.93 0.01 1.44 0.87 -1.96 -0.49 113.55 114.34 2dk9 h SER 53 Ca 0.06 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2dk9 h SER 53 Cb 0.33 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2dk9 h SER 53 CO -0.00 0.93 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.90 2dk9 h GLU 54 N 0.89 -0.01 0.00 2.24 4.39 -1.73 -3.08 114.58 117.28 2dk9 h GLU 54 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2dk9 h GLU 54 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2dk9 h GLU 54 CO 0.00 0.57 0.00 1.28 -1.16 0.00 0.00 179.01 179.70 2dk9 n LEU 55 N -4.82 0.55 -0.27 1.33 4.77 -1.01 -1.48 117.00 116.07 2dk9 n LEU 55 Ca -0.09 0.69 -0.07 0.00 -0.03 0.00 0.00 56.01 56.52 2dk9 n LEU 55 Cb 0.29 -0.68 0.06 0.00 -2.33 0.00 0.00 43.42 40.75 2dk9 n LEU 55 CO 0.33 -0.71 0.99 -0.61 -1.33 0.00 0.00 177.39 176.06 2dk9 h GLN 56 N 0.00 1.17 -0.00 3.23 4.15 -0.98 -3.28 115.11 119.39 2dk9 h GLN 56 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.17 2dk9 h GLN 56 Cb 0.18 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.70 2dk9 h GLN 56 CO 0.00 0.99 -0.27 0.41 -1.93 0.00 0.00 178.83 178.02 2dk9 n GLY 57 N -0.77 0.31 0.32 2.39 0.00 -1.06 -4.57 105.19 101.82 2dk9 n GLY 57 Ca 0.06 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 0.11 0.00 0.00 0.99 3.38 -1.32 -3.47 115.31 115.00 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 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2dk9 h LEU 58 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2dk9 n GLY 59 N -1.55 2.20 0.07 0.83 0.00 -1.26 -4.79 105.19 100.69 2dk9 n GLY 59 Ca 0.03 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.15 -0.62 4.61 0.00 -1.86 -2.37 119.26 118.87 2dk9 h ALA 60 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2dk9 h ALA 60 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2dk9 h ALA 60 CO 0.00 -0.14 0.23 1.25 0.00 0.00 0.00 179.25 180.59 2dk9 h LEU 61 N -0.72 0.84 -0.20 0.00 7.12 -1.94 0.37 115.31 120.78 2dk9 h LEU 61 Ca -0.01 -0.12 -0.03 0.00 0.13 0.00 0.00 57.88 57.85 2dk9 h LEU 61 Cb 0.08 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 2dk9 h LEU 61 CO 0.02 0.77 0.01 -0.08 -0.13 0.00 0.00 178.44 179.03 2dk9 h GLU 62 N 0.90 0.35 -0.31 1.25 4.57 -1.87 0.28 114.58 119.74 2dk9 h GLU 62 Ca 0.21 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2dk9 h GLU 62 Cb 0.20 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2dk9 h GLU 62 CO -0.02 0.53 -0.11 0.00 -1.18 0.00 0.00 179.01 178.24 2dk9 h ALA 63 N 0.81 0.43 0.04 2.92 0.00 -1.23 -0.38 119.26 121.85 2dk9 h ALA 63 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2dk9 h ALA 63 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dk9 h ALA 63 CO 0.01 0.29 -0.02 1.15 0.00 0.00 0.00 179.25 180.68 2dk9 h THR 64 N 0.39 1.22 -0.60 0.00 2.02 -0.91 -0.04 112.91 114.99 2dk9 h THR 64 Ca 0.07 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2dk9 h THR 64 Cb 0.61 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2dk9 h THR 64 CO 0.04 0.21 0.33 0.00 0.37 0.00 0.00 175.52 176.47 2dk9 h ALA 65 N 0.52 0.77 -0.00 6.16 0.00 -0.50 0.66 119.26 126.87 2dk9 h ALA 65 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dk9 h ALA 65 Cb 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dk9 h ALA 65 CO 0.01 0.28 -0.00 2.35 0.00 0.00 0.00 179.25 181.89 2dk9 h TRP 66 N 0.81 0.01 -0.69 0.00 7.01 -1.08 -2.32 115.95 119.68 2dk9 h TRP 66 Ca 0.21 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 2dk9 h TRP 66 Cb 0.04 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 2dk9 h TRP 66 CO -0.01 0.35 0.39 0.00 -2.79 0.00 0.00 178.44 176.38 2dk9 h ALA 67 N 0.66 1.38 -0.68 2.65 0.00 -0.91 -1.19 119.26 121.18 2dk9 h ALA 67 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2dk9 h ALA 67 Cb 0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2dk9 h ALA 67 CO 0.00 0.52 0.14 -0.07 0.00 0.00 0.00 179.25 179.83 2dk9 h LEU 68 N 0.96 1.05 -0.05 0.00 3.38 -0.80 0.43 115.31 120.28 2dk9 h LEU 68 Ca 0.25 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2dk9 h LEU 68 Cb 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2dk9 h LEU 68 CO -0.04 1.03 -0.08 0.50 0.09 0.00 0.00 178.44 179.94 2dk9 h LYS 69 N 1.03 0.14 -0.15 1.13 3.64 -0.98 -2.18 116.57 119.20 2dk9 h LYS 69 Ca 0.21 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2dk9 h LYS 69 Cb 0.41 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2dk9 h LYS 69 CO 0.01 0.64 -0.09 0.28 -2.27 0.00 0.00 179.45 178.02 2dk9 h VAL 70 N -0.35 1.32 -0.68 2.00 2.07 -1.21 0.72 116.25 120.12 2dk9 h VAL 70 Ca 0.00 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.45 2dk9 h VAL 70 Cb 0.63 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 2dk9 h VAL 70 CO 0.02 0.34 0.34 0.00 0.02 0.00 0.00 177.57 178.29 2dk9 h ALA 71 N 0.65 0.92 -0.28 1.67 0.00 -0.23 0.96 119.26 122.95 2dk9 h ALA 71 Ca 0.03 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2dk9 h ALA 71 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2dk9 h ALA 71 CO 0.02 -0.04 -0.41 1.49 0.00 0.00 0.00 179.25 180.31 2dk9 h GLU 72 N 0.60 0.69 -0.28 0.00 4.22 -1.34 0.33 114.58 118.81 2dk9 h GLU 72 Ca 0.33 -0.36 -0.15 0.00 0.08 0.00 0.00 59.36 59.25 2dk9 h GLU 72 Cb 0.31 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dk9 h GLU 72 CO -0.24 0.98 -0.43 -0.91 -2.18 0.00 0.00 179.01 176.22 2dk9 h ASN 73 N 0.56 0.86 0.19 1.04 2.35 0.50 0.88 115.58 121.97 2dk9 h ASN 73 Ca 0.04 -0.52 -0.27 0.00 -0.55 0.00 0.00 56.30 55.01 2dk9 h ASN 73 Cb 0.95 -0.24 0.02 0.00 0.05 0.00 0.00 38.32 39.10 2dk9 h ASN 73 CO 0.09 1.21 -1.23 -0.33 -1.65 0.00 0.00 177.43 175.52 2dk9 h GLU 74 N 0.53 0.40 0.03 0.81 4.39 0.92 -3.38 114.58 118.28 2dk9 h GLU 74 Ca 0.02 -0.68 -0.33 0.00 0.34 0.00 0.00 59.36 58.71 2dk9 h GLU 74 Cb 1.03 0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 2dk9 h GLU 74 CO 0.10 1.33 -1.99 1.28 -1.16 0.00 0.00 179.01 178.57 2dk9 n LEU 75 N -3.90 1.28 0.00 1.33 4.77 0.11 -5.00 117.00 115.59 2dk9 n LEU 75 Ca -0.17 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2dk9 n LEU 75 Cb 0.97 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2dk9 n LEU 75 CO 0.53 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2dk9 n GLY 76 N 1.76 0.85 3.58 -0.72 0.00 0.31 -5.00 105.19 105.96 2dk9 n GLY 76 Ca -0.26 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 4.99 0.21 -0.61 1.01 -1.19 -4.99 121.20 118.62 2dk9 s ILE 77 Ca 0.00 0.59 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 2dk9 s ILE 77 Cb 0.00 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 2dk9 s ILE 77 CO 0.00 -0.16 1.13 0.28 0.00 0.00 0.00 174.94 176.19 2dk9 s THR 78 N 2.48 3.64 0.42 2.92 -1.32 -1.26 -4.08 115.64 118.44 2dk9 s THR 78 Ca 0.21 1.47 -0.25 0.00 -1.21 0.00 0.00 61.69 61.92 2dk9 s THR 78 Cb -0.15 -3.94 -0.10 0.00 -1.51 0.00 0.00 72.50 66.80 2dk9 s THR 78 CO 0.13 0.28 1.18 -2.65 -2.21 0.00 0.00 174.62 171.35 2dk9 n PRO 79 N 2.02 1.72 -0.02 7.08 -0.02 -1.26 -4.94 135.00 139.58 2dk9 n PRO 79 Ca 0.02 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 2dk9 n PRO 79 Cb 0.45 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 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 0.29 -4.12 -1.45 0.31 -1.26 -5.05 118.33 106.74 2dk9 n VAL 80 Ca 0.08 -0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.09 2dk9 n VAL 80 Cb 0.39 -0.45 -0.10 0.00 -0.91 0.00 0.00 33.84 32.78 2dk9 n VAL 80 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2dk9 s VAL 81 N -2.25 0.42 0.57 2.52 0.11 -1.26 -4.96 120.40 115.56 2dk9 s VAL 81 Ca -0.03 -1.79 -0.16 0.00 -2.93 0.00 0.00 61.98 57.07 2dk9 s VAL 81 Cb 0.03 -1.49 -0.05 0.00 -1.53 0.00 0.00 36.38 33.34 2dk9 s VAL 81 CO 0.26 -0.90 1.04 -0.55 -3.33 0.00 0.00 175.10 171.63 2dk9 s SER 82 N -2.84 5.99 0.13 3.54 0.15 -1.26 -4.94 113.70 114.47 2dk9 s SER 82 Ca 0.07 1.77 -0.14 0.00 0.70 0.00 0.00 55.95 58.34 2dk9 s SER 82 Cb 0.05 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2dk9 s SER 82 CO -0.07 -1.03 1.62 0.00 1.20 0.00 0.00 173.24 174.97 2dk9 h ALA 83 N 0.58 0.58 -0.69 5.45 0.00 -1.97 -2.18 119.26 121.03 2dk9 h ALA 83 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2dk9 h ALA 83 Cb 1.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2dk9 h ALA 83 CO 0.58 0.29 0.43 1.96 0.00 0.00 0.00 179.25 182.52 2dk9 h GLN 84 N 0.58 0.93 -0.17 0.00 1.08 -1.97 0.23 115.11 115.79 2dk9 h GLN 84 Ca 0.13 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 2dk9 h GLN 84 Cb 0.37 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2dk9 h GLN 84 CO 0.01 0.64 -0.09 0.00 -0.95 0.00 0.00 178.83 178.43 2dk9 h ALA 85 N 1.53 0.24 -0.18 3.87 0.00 -1.90 -1.23 119.26 121.59 2dk9 h ALA 85 Ca 0.25 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2dk9 h ALA 85 Cb -0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2dk9 h ALA 85 CO -0.05 0.07 -0.23 -0.24 0.00 0.00 0.00 179.25 178.80 2dk9 h VAL 86 N 0.04 1.34 -0.69 0.00 3.04 -1.11 0.66 116.25 119.54 2dk9 h VAL 86 Ca 0.04 -1.43 -0.03 0.00 -1.01 0.00 0.00 66.70 64.26 2dk9 h VAL 86 Cb 0.58 1.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.69 2dk9 h VAL 86 CO 0.03 0.43 0.29 0.58 -1.01 0.00 0.00 177.57 177.89 2dk9 h VAL 87 N 0.12 1.23 0.00 1.51 2.07 -0.60 -2.07 116.25 118.50 2dk9 h VAL 87 Ca 0.02 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2dk9 h VAL 87 Cb 0.79 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2dk9 h VAL 87 CO 0.05 0.29 -0.27 0.00 0.02 0.00 0.00 177.57 177.66 2dk9 n ALA 88 N -2.44 2.66 -2.44 1.67 0.00 -0.47 -4.28 120.51 115.21 2dk9 n ALA 88 Ca 0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 2dk9 n ALA 88 Cb 0.16 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.28 1.84 0.00 0.00 0.12 -4.86 105.19 103.38 2dk9 n GLY 89 Ca 0.05 -0.18 -0.18 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 -1.19 3.62 -2.75 1.61 3.41 -0.55 -4.69 113.62 113.08 2dk9 n SER 90 Ca -0.16 -3.70 -0.05 0.00 -0.26 0.00 0.00 58.87 54.70 2dk9 n SER 90 Cb 0.63 -0.76 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.11 -3.15 -0.22 4.04 -0.08 -1.25 -5.00 116.55 109.77 2dk9 n ASP 91 Ca 0.50 -2.87 -0.02 0.00 -1.51 0.00 0.00 54.79 50.89 2dk9 n ASP 91 Cb 1.34 1.69 0.17 0.00 2.34 0.00 0.00 41.12 46.67 2dk9 n ASP 91 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2dk9 h PRO 92 N 4.65 1.02 -0.91 -0.67 0.13 -1.92 -2.47 132.00 131.83 2dk9 h PRO 92 Ca -0.00 -0.13 0.05 0.00 -0.87 0.00 0.00 66.00 65.04 2dk9 h PRO 92 Cb 1.10 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 31.98 2dk9 h PRO 92 CO 0.08 0.78 0.60 -0.07 -0.23 0.00 0.00 178.00 179.15 2dk9 h LEU 93 N 1.01 0.96 -0.26 1.56 4.07 -2.00 -2.02 115.31 118.64 2dk9 h LEU 93 Ca 0.25 -0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.00 2dk9 h LEU 93 Cb 0.09 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.62 2dk9 h LEU 93 CO -0.03 0.64 -0.70 1.23 -1.08 0.00 0.00 178.44 178.50 2dk9 h GLY 94 N 1.10 0.80 1.01 0.83 0.00 -1.83 -2.57 103.07 102.42 2dk9 h GLY 94 Ca 0.37 -1.08 0.01 0.00 0.00 0.00 0.00 47.33 46.63 2dk9 h GLY 94 CO -0.12 0.96 0.45 1.41 0.00 0.00 0.00 176.54 179.24 2dk9 h LEU 95 N 0.52 0.79 -0.44 3.11 -0.00 -1.00 -1.65 115.31 116.64 2dk9 h LEU 95 Ca -0.03 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.72 2dk9 h LEU 95 Cb 1.31 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2dk9 h LEU 95 CO 0.14 0.57 -0.16 0.40 -0.00 0.00 0.00 178.44 179.40 2dk9 h ILE 96 N 0.93 1.27 -0.99 1.22 2.04 -1.41 -2.54 117.51 118.04 2dk9 h ILE 96 Ca 0.25 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.85 2dk9 h ILE 96 Cb -0.11 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 2dk9 h ILE 96 CO -0.05 0.44 0.65 0.00 0.00 0.00 0.00 178.15 179.19 2dk9 h ALA 97 N 0.85 1.31 -0.20 1.87 0.00 -1.09 -1.35 119.26 120.65 2dk9 h ALA 97 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dk9 h ALA 97 Cb 0.71 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2dk9 h ALA 97 CO 0.05 0.56 -0.02 -0.92 0.00 0.00 0.00 179.25 178.92 2dk9 h TYR 98 N 1.27 0.40 -0.89 0.00 3.20 -1.20 -2.86 116.97 116.89 2dk9 h TYR 98 Ca 0.39 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.23 2dk9 h TYR 98 Cb -0.02 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 2dk9 h TYR 98 CO -0.00 0.58 0.58 -0.07 -1.64 0.00 0.00 178.16 177.62 2dk9 h LEU 99 N 0.11 0.94 -0.44 2.82 4.07 -1.07 -1.47 115.31 120.28 2dk9 h LEU 99 Ca 0.05 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2dk9 h LEU 99 Cb 0.44 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2dk9 h LEU 99 CO 0.01 0.64 0.28 0.28 -1.08 0.00 0.00 178.44 178.58 2dk9 h SER 100 N 1.09 0.51 -0.40 -0.43 0.02 -1.13 0.51 113.55 113.71 2dk9 h SER 100 Ca 0.36 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 2dk9 h SER 100 Cb 0.06 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2dk9 h SER 100 CO -0.12 0.38 0.08 0.45 -1.14 0.00 0.00 176.83 176.48 2dk9 h HIS 101 N 0.59 0.70 -0.43 3.45 3.86 -1.19 0.23 115.15 122.35 2dk9 h HIS 101 Ca 0.16 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.17 2dk9 h HIS 101 Cb -0.05 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 2dk9 h HIS 101 CO -0.04 0.68 -0.16 0.74 0.86 0.00 0.00 177.93 180.00 2dk9 h PHE 102 N 0.51 0.99 -0.55 2.45 0.04 -1.04 -2.55 116.94 116.81 2dk9 h PHE 102 Ca 0.12 -0.23 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 2dk9 h PHE 102 Cb 0.35 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2dk9 h PHE 102 CO 0.02 1.00 0.03 1.25 -0.60 0.00 0.00 178.31 180.02 2dk9 h HIS 103 N 0.70 1.02 -0.61 -0.55 2.76 0.13 0.33 115.15 118.92 2dk9 h HIS 103 Ca 0.10 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2dk9 h HIS 103 Cb 0.71 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2dk9 h HIS 103 CO 0.05 0.92 0.40 0.66 -1.30 0.00 0.00 177.93 178.66 2dk9 h SER 104 N 0.82 0.71 0.01 3.26 4.64 -0.89 0.46 113.55 122.57 2dk9 h SER 104 Ca 0.16 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.25 2dk9 h SER 104 Cb 0.49 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2dk9 h SER 104 CO 0.02 0.52 -0.79 0.00 -0.87 0.00 0.00 176.83 175.72 2dk9 h ALA 105 N 1.22 0.08 -0.08 5.18 0.00 -1.32 -3.13 119.26 121.21 2dk9 h ALA 105 Ca 0.22 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2dk9 h ALA 105 Cb -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2dk9 h ALA 105 CO -0.05 0.48 -0.25 0.74 0.00 0.00 0.00 179.25 180.16 2dk9 h PHE 106 N 0.06 0.14 -0.09 0.00 -1.00 -0.19 -1.95 116.94 113.92 2dk9 h PHE 106 Ca -0.10 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 2dk9 h PHE 106 Cb 1.48 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 41.00 2dk9 h PHE 106 CO 0.13 0.38 0.02 -0.22 -1.61 0.00 0.00 178.31 177.01 2dk9 h LYS 107 N 0.12 0.14 -0.55 1.51 3.64 -0.11 -3.12 116.57 118.21 2dk9 h LYS 107 Ca 0.02 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2dk9 h LYS 107 Cb 0.52 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2dk9 h LYS 107 CO 0.04 0.33 0.06 1.03 -2.27 0.00 0.00 179.45 178.63 2dk9 h SER 108 N -0.08 0.90 -0.02 4.20 0.87 -1.46 -3.51 113.55 114.45 2dk9 h SER 108 Ca 0.03 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2dk9 h SER 108 Cb 0.26 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2dk9 h SER 108 CO 0.00 0.95 0.00 0.80 -0.53 0.00 0.00 176.83 178.05