#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 0.67 2.97 3.17 0.00 -1.26 -5.11 105.19 105.64 2dk9 n GLY -7 Ca 0.00 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 3.48 -0.25 1.61 4.02 -1.26 -5.04 115.29 117.85 2dk9 s HIS -6 Ca 0.00 -3.16 0.02 0.00 1.02 0.00 0.00 55.06 52.93 2dk9 s HIS -6 Cb 0.00 -2.89 0.07 0.00 -1.02 0.00 0.00 32.58 28.73 2dk9 s HIS -6 CO 0.00 -0.67 -0.05 -1.58 1.02 0.00 0.00 174.74 173.45 2dk9 s HIS -5 N -0.90 2.74 -0.42 1.40 5.65 -1.26 -5.04 115.29 117.45 2dk9 s HIS -5 Ca 0.22 -2.03 0.05 0.00 0.25 0.00 0.00 55.06 53.54 2dk9 s HIS -5 Cb -0.14 -1.81 0.17 0.00 -1.18 0.00 0.00 32.58 29.62 2dk9 s HIS -5 CO -0.09 -0.83 0.46 -1.01 -0.65 0.00 0.00 174.74 172.62 2dk9 s HIS -4 N 1.28 -0.18 -0.98 3.88 4.02 -1.26 -5.04 115.29 117.00 2dk9 s HIS -4 Ca -0.04 -1.27 -0.02 0.00 1.02 0.00 0.00 55.06 54.75 2dk9 s HIS -4 Cb -0.19 -0.38 0.30 0.00 -1.02 0.00 0.00 32.58 31.28 2dk9 s HIS -4 CO -0.07 -1.00 1.33 0.72 1.02 0.00 0.00 174.74 176.74 2dk9 n HIS -3 N 3.43 2.53 -3.69 1.40 -0.00 -1.26 -4.96 115.22 112.68 2dk9 n HIS -3 Ca 0.19 -2.91 -0.11 0.00 -0.00 0.00 0.00 57.72 54.90 2dk9 n HIS -3 Cb 0.49 -1.10 -0.11 0.00 -0.00 0.00 0.00 29.99 29.27 2dk9 n HIS -3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dk9 s HIS -2 N -2.75 -0.58 -0.20 4.41 5.65 -1.26 -5.04 115.29 115.52 2dk9 s HIS -2 Ca 0.33 1.23 -0.06 0.00 0.25 0.00 0.00 55.06 56.81 2dk9 s HIS -2 Cb 0.07 0.21 0.02 0.00 -1.18 0.00 0.00 32.58 31.70 2dk9 s HIS -2 CO 0.08 -0.36 0.13 1.58 -0.65 0.00 0.00 174.74 175.52 2dk9 n HIS -1 N 4.63 -3.65 -3.81 3.88 -0.00 -1.26 -5.04 115.22 109.98 2dk9 n HIS -1 Ca -0.18 1.93 -0.29 0.00 -0.00 0.00 0.00 57.72 59.17 2dk9 n HIS -1 Cb 0.53 -3.60 -0.16 0.00 -0.00 0.00 0.00 29.99 26.76 2dk9 n HIS -1 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2dk9 s MET 0 N -1.00 0.99 0.05 1.57 -2.45 -1.26 -4.99 119.30 112.21 2dk9 s MET 0 Ca -0.14 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 53.65 2dk9 s MET 0 Cb 0.01 -2.28 0.00 0.00 1.25 0.00 0.00 34.83 33.81 2dk9 s MET 0 CO 0.67 -0.64 0.00 0.41 1.05 0.00 0.00 175.02 176.51 2dk9 n GLY 1 N 4.91 -0.10 0.46 2.11 0.00 -1.26 -4.65 105.19 106.66 2dk9 n GLY 1 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -0.96 0.11 1.61 0.02 -2.02 -2.94 113.55 109.37 2dk9 h SER 2 Ca 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2dk9 h SER 2 Cb 0.00 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2dk9 h SER 2 CO 0.00 -0.64 -0.13 0.00 -1.14 0.00 0.00 176.83 174.92 2dk9 h ALA 3 N -1.13 1.73 -0.12 3.77 0.00 -1.96 -2.19 119.26 119.37 2dk9 h ALA 3 Ca -0.12 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2dk9 h ALA 3 Cb 0.88 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2dk9 h ALA 3 CO 0.19 0.20 0.11 0.78 0.00 0.00 0.00 179.25 180.53 2dk9 h GLY 4 N 0.47 0.00 0.22 0.00 0.00 -1.78 0.11 103.07 102.08 2dk9 h GLY 4 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 2dk9 h GLY 4 CO 0.02 0.00 -0.66 -0.84 0.00 0.00 0.00 176.54 175.06 2dk9 h THR 5 N 0.00 1.43 -0.23 4.70 2.02 -1.28 -3.26 112.91 116.29 2dk9 h THR 5 Ca 0.06 -2.36 -0.04 0.00 0.77 0.00 0.00 66.41 64.84 2dk9 h THR 5 Cb 0.28 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 2dk9 h THR 5 CO -0.00 0.58 -0.04 1.56 0.37 0.00 0.00 175.52 177.99 2dk9 h GLN 6 N -0.77 0.35 -0.27 6.66 4.20 -1.42 -2.52 115.11 121.34 2dk9 h GLN 6 Ca -0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2dk9 h GLN 6 Cb 1.31 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 2dk9 h GLN 6 CO -0.01 0.41 0.12 1.49 -0.67 0.00 0.00 178.83 180.17 2dk9 h GLU 7 N 0.34 0.39 -0.10 1.46 4.81 -0.93 -2.15 114.58 118.39 2dk9 h GLU 7 Ca 0.07 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2dk9 h GLU 7 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2dk9 h GLU 7 CO 0.01 0.40 -0.26 1.05 -0.73 0.00 0.00 179.01 179.47 2dk9 h GLU 8 N 0.29 0.18 -0.09 1.92 4.11 -1.54 -2.32 114.58 117.13 2dk9 h GLU 8 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2dk9 h GLU 8 Cb 0.14 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2dk9 h GLU 8 CO -0.01 0.44 0.02 -0.07 0.07 0.00 0.00 179.01 179.46 2dk9 h LEU 9 N 0.17 0.14 -1.18 3.06 -0.00 -1.13 -2.54 115.31 113.83 2dk9 h LEU 9 Ca 0.03 -0.24 -0.04 0.00 -0.00 0.00 0.00 57.88 57.62 2dk9 h LEU 9 Cb 0.56 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.16 2dk9 h LEU 9 CO 0.04 0.34 0.08 0.25 -0.00 0.00 0.00 178.44 179.15 2dk9 h LEU 10 N -0.07 0.60 -0.59 1.67 5.85 -1.27 -2.15 115.31 119.36 2dk9 h LEU 10 Ca 0.03 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2dk9 h LEU 10 Cb 0.26 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2dk9 h LEU 10 CO 0.00 0.62 0.39 0.03 -0.34 0.00 0.00 178.44 179.14 2dk9 h ARG 11 N 0.63 0.77 -0.14 1.25 2.47 -1.23 0.18 114.38 118.31 2dk9 h ARG 11 Ca 0.14 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 2dk9 h ARG 11 Cb 0.28 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2dk9 h ARG 11 CO 0.00 0.51 -0.04 2.35 0.56 0.00 0.00 179.97 183.35 2dk9 h TRP 12 N 0.79 0.31 -0.44 3.04 7.01 -1.14 -1.91 115.95 123.61 2dk9 h TRP 12 Ca 0.22 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 2dk9 h TRP 12 Cb -0.08 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2dk9 h TRP 12 CO -0.04 0.57 0.27 0.00 -2.79 0.00 0.00 178.44 176.45 2dk9 h GLN 14 N 0.58 0.60 -0.27 0.00 -0.00 -0.64 -0.63 115.11 114.76 2dk9 h GLN 14 Ca 0.16 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.65 58.66 2dk9 h GLN 14 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.35 2dk9 h GLN 14 CO -0.03 0.54 -0.01 1.49 0.00 0.00 0.00 178.83 180.82 2dk9 h GLU 15 N 0.59 0.48 -0.27 1.69 4.81 -0.83 -1.46 114.58 119.59 2dk9 h GLU 15 Ca 0.14 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2dk9 h GLU 15 Cb 0.20 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2dk9 h GLU 15 CO -0.01 0.65 -0.27 1.96 -0.73 0.00 0.00 179.01 180.62 2dk9 h GLN 16 N 0.26 0.53 -0.21 1.92 1.08 -1.01 -2.48 115.11 115.20 2dk9 h GLN 16 Ca 0.08 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2dk9 h GLN 16 Cb 0.44 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dk9 h GLN 16 CO 0.02 0.75 0.00 -2.37 -0.95 0.00 0.00 178.83 176.28 2dk9 n THR 17 N -4.10 0.27 -2.78 -0.54 5.66 -0.27 -4.78 114.28 107.74 2dk9 n THR 17 Ca -0.00 -0.32 -0.40 0.00 -3.05 0.00 0.00 64.05 60.27 2dk9 n THR 17 Cb 0.43 0.20 -0.05 0.00 -1.55 0.00 0.00 70.33 69.35 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 -1.73 3.30 0.00 1.79 0.00 -0.56 -4.10 121.76 120.46 2dk9 s ALA 18 Ca 0.24 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2dk9 s ALA 18 Cb 0.13 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2dk9 s ALA 18 CO 0.18 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.43 2dk9 n GLY 19 N 1.98 2.64 3.75 0.00 0.00 -1.26 -5.04 105.19 107.26 2dk9 n GLY 19 Ca -0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.21 3.28 -0.48 1.61 1.51 -1.26 -4.95 117.35 116.84 2dk9 s TYR 20 Ca 0.00 1.36 -0.28 0.00 -1.01 0.00 0.00 57.07 57.13 2dk9 s TYR 20 Cb 0.00 -3.55 0.01 0.00 -0.11 0.00 0.00 41.96 38.30 2dk9 s TYR 20 CO 0.00 -1.60 1.47 -1.25 -1.11 0.00 0.00 175.55 173.06 2dk9 s PRO 21 N -0.68 3.37 0.00 -1.71 0.04 -1.26 -2.91 135.00 131.86 2dk9 s PRO 21 Ca 0.53 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2dk9 s PRO 21 Cb -0.36 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2dk9 s PRO 21 CO 0.42 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2dk9 n GLY 22 N 5.23 2.21 3.66 0.56 0.00 -1.26 -5.06 105.19 110.52 2dk9 n GLY 22 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.18 4.56 -0.46 1.61 1.01 -1.14 -4.96 120.40 118.82 2dk9 s VAL 23 Ca 0.00 1.88 0.07 0.00 0.00 0.00 0.00 61.98 63.92 2dk9 s VAL 23 Cb 0.00 -4.21 0.23 0.00 0.00 0.00 0.00 36.38 32.40 2dk9 s VAL 23 CO 0.00 -0.15 0.54 1.41 0.00 0.00 0.00 175.10 176.91 2dk9 n HIS 24 N 6.26 0.63 -2.03 5.22 8.25 -1.26 -4.78 115.22 127.51 2dk9 n HIS 24 Ca 0.12 -3.70 -0.41 0.00 -0.26 0.00 0.00 57.72 53.47 2dk9 n HIS 24 Cb 0.46 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 2dk9 n HIS 24 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dk9 s VAL 25 N -1.31 3.46 0.00 1.59 1.01 -1.26 -4.67 120.40 119.22 2dk9 s VAL 25 Ca 0.35 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.77 2dk9 s VAL 25 Cb 0.14 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.77 2dk9 s VAL 25 CO -0.10 -0.58 0.74 -1.20 0.00 0.00 0.00 175.10 173.97 2dk9 n SER 26 N 11.03 -0.02 -4.00 3.32 7.64 -1.26 -4.33 113.62 126.00 2dk9 n SER 26 Ca 0.22 -1.47 -0.11 0.00 1.01 0.00 0.00 58.87 58.51 2dk9 n SER 26 Cb 0.49 -0.07 -0.12 0.00 -1.01 0.00 0.00 64.21 63.50 2dk9 n SER 26 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dk9 s ASP 27 N -0.52 0.46 -0.42 6.43 1.01 -1.26 -5.03 116.67 117.35 2dk9 s ASP 27 Ca 0.01 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 52.83 2dk9 s ASP 27 Cb 0.02 0.06 0.39 0.00 1.01 0.00 0.00 42.92 44.39 2dk9 s ASP 27 CO -0.01 -0.22 1.88 0.18 0.21 0.00 0.00 175.17 177.21 2dk9 n LEU 28 N 1.75 6.50 0.01 1.23 4.32 -1.26 -3.96 117.00 125.59 2dk9 n LEU 28 Ca -0.22 -3.46 0.00 0.00 -0.02 0.00 0.00 56.01 52.31 2dk9 n LEU 28 Cb 0.55 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 2dk9 n LEU 28 CO 0.21 1.16 0.00 -1.20 -1.22 0.00 0.00 177.39 176.34 2dk9 n SER 29 N -0.42 -0.25 -0.12 -1.43 7.64 -1.26 -4.86 113.62 112.93 2dk9 n SER 29 Ca 0.44 0.06 -0.08 0.00 1.01 0.00 0.00 58.87 60.30 2dk9 n SER 29 Cb 0.91 0.61 -0.00 0.00 -1.01 0.00 0.00 64.21 64.72 2dk9 n SER 29 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dk9 h SER 30 N 0.00 0.45 -0.45 6.43 0.87 -1.92 -1.62 113.55 117.31 2dk9 h SER 30 Ca 0.00 -0.03 0.13 0.00 -1.23 0.00 0.00 61.79 60.66 2dk9 h SER 30 Cb 0.00 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2dk9 h SER 30 CO 0.00 0.35 0.47 0.28 -0.53 0.00 0.00 176.83 177.39 2dk9 h SER 31 N 0.52 0.00 -0.02 6.23 0.02 -1.92 0.41 113.55 118.79 2dk9 h SER 31 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2dk9 h SER 31 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2dk9 h SER 31 CO -0.03 0.00 -0.17 0.79 -1.14 0.00 0.00 176.83 176.28 2dk9 n TRP 32 N -3.76 0.00 -0.17 3.45 7.02 -0.77 -3.65 117.44 119.56 2dk9 n TRP 32 Ca 0.08 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.55 2dk9 n TRP 32 Cb 0.65 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.62 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 3.74 0.56 -0.01 6.99 0.00 0.74 -1.53 119.26 129.76 2dk9 h ALA 33 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dk9 h ALA 33 Cb 0.77 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2dk9 h ALA 33 CO 0.00 -0.35 -0.53 -0.40 0.00 0.00 0.00 179.25 177.97 2dk9 n ASP 34 N -5.18 1.23 -0.35 0.00 5.68 -1.26 -4.44 116.55 112.23 2dk9 n ASP 34 Ca 0.07 -0.99 -0.00 0.00 -0.50 0.00 0.00 54.79 53.36 2dk9 n ASP 34 Cb 0.29 0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 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 1.43 0.72 0.21 6.12 0.00 -0.57 -4.54 105.19 108.55 2dk9 n GLY 35 Ca 0.08 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.02 0.93 -0.23 0.99 -0.00 -1.82 -1.81 115.31 113.34 2dk9 h LEU 36 Ca -0.01 -0.69 -0.01 0.00 -0.00 0.00 0.00 57.88 57.17 2dk9 h LEU 36 Cb 1.01 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.37 2dk9 h LEU 36 CO 0.01 1.50 0.12 0.00 -0.00 0.00 0.00 178.44 180.06 2dk9 h ALA 37 N 0.46 0.30 -0.30 1.53 0.00 -1.94 0.27 119.26 119.59 2dk9 h ALA 37 Ca -0.10 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2dk9 h ALA 37 Cb 1.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2dk9 h ALA 37 CO 0.19 -0.15 -0.29 -0.07 0.00 0.00 0.00 179.25 178.93 2dk9 h LEU 38 N 0.25 0.77 -0.10 0.00 3.38 -1.91 -2.57 115.31 115.14 2dk9 h LEU 38 Ca 0.08 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2dk9 h LEU 38 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2dk9 h LEU 38 CO -0.01 1.08 0.03 0.00 0.09 0.00 0.00 178.44 179.63 2dk9 h ALA 40 N 0.84 1.07 0.16 0.00 0.00 -0.50 0.21 119.26 121.04 2dk9 h ALA 40 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2dk9 h ALA 40 Cb 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2dk9 h ALA 40 CO -0.00 0.17 -0.09 -0.07 0.00 0.00 0.00 179.25 179.26 2dk9 h LEU 41 N 0.85 -0.22 -0.03 0.00 3.38 -1.34 0.34 115.31 118.28 2dk9 h LEU 41 Ca 0.35 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2dk9 h LEU 41 Cb 0.19 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2dk9 h LEU 41 CO -0.18 -0.15 0.02 0.58 0.09 0.00 0.00 178.44 178.80 2dk9 h VAL 42 N -0.23 1.07 -0.84 1.22 2.07 -1.11 -2.47 116.25 115.96 2dk9 h VAL 42 Ca -0.02 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2dk9 h VAL 42 Cb 0.19 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2dk9 h VAL 42 CO 0.02 0.06 0.55 0.22 0.02 0.00 0.00 177.57 178.44 2dk9 h TYR 43 N -0.03 0.97 -0.81 1.57 3.20 -0.88 0.67 116.97 121.67 2dk9 h TYR 43 Ca 0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2dk9 h TYR 43 Cb 0.08 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 2dk9 h TYR 43 CO -0.05 0.53 0.33 -0.09 -1.64 0.00 0.00 178.16 177.25 2dk9 h ARG 44 N 0.98 1.20 0.14 1.82 9.65 -0.64 0.63 114.38 128.17 2dk9 h ARG 44 Ca 0.35 -0.21 -0.31 0.00 -1.10 0.00 0.00 59.98 58.71 2dk9 h ARG 44 Cb 0.15 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2dk9 h ARG 44 CO -0.12 0.96 -1.50 -0.07 2.80 0.00 0.00 179.97 182.04 2dk9 h LEU 45 N 1.17 0.47 -6.04 3.80 -0.00 -0.90 -3.41 115.31 110.41 2dk9 h LEU 45 Ca 0.27 -0.61 -0.56 0.00 -0.00 0.00 0.00 57.88 56.98 2dk9 h LEU 45 Cb 0.20 -0.15 -0.39 0.00 -0.00 0.00 0.00 40.66 40.32 2dk9 h LEU 45 CO -0.02 1.50 -1.07 0.00 -0.00 0.00 0.00 178.44 178.84 2dk9 n GLN 46 N -3.51 0.77 0.18 1.13 1.13 0.23 -4.94 117.38 112.37 2dk9 n GLN 46 Ca -0.16 -3.30 0.05 0.00 -1.94 0.00 0.00 57.00 51.65 2dk9 n GLN 46 Cb 1.05 -1.30 0.31 0.00 0.11 0.00 0.00 30.24 30.41 2dk9 n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2dk9 h PRO 47 N 4.13 0.00 0.00 -1.09 0.13 0.11 -2.92 132.00 132.36 2dk9 h PRO 47 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2dk9 h PRO 47 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2dk9 h PRO 47 CO 0.47 0.40 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 2dk9 n GLY 48 N 0.29 -1.35 0.38 1.56 0.00 -1.26 -3.31 105.19 101.50 2dk9 n GLY 48 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.97 2dk9 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dk9 n LEU 49 N -1.39 1.98 -3.90 0.99 4.77 -1.11 -5.05 117.00 113.29 2dk9 n LEU 49 Ca 0.10 -2.90 -0.09 0.00 -0.03 0.00 0.00 56.01 53.09 2dk9 n LEU 49 Cb 0.28 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 2dk9 n LEU 49 CO 0.24 0.80 -0.04 -0.76 -1.33 0.00 0.00 177.39 176.31 2dk9 s LEU 50 N -2.31 1.12 -0.33 2.23 1.02 -1.17 -5.02 118.68 114.21 2dk9 s LEU 50 Ca 0.29 -0.74 0.16 0.00 0.02 0.00 0.00 54.13 53.85 2dk9 s LEU 50 Cb 0.27 1.17 0.44 0.00 0.02 0.00 0.00 46.19 48.09 2dk9 s LEU 50 CO -0.02 -0.82 1.17 -0.62 0.02 0.00 0.00 176.35 176.09 2dk9 n GLU 51 N -0.15 1.30 0.26 1.70 1.02 -1.26 -4.89 120.64 118.62 2dk9 n GLU 51 Ca -0.11 -2.63 0.17 0.00 -0.02 0.00 0.00 57.16 54.57 2dk9 n GLU 51 Cb 0.63 -0.76 0.92 0.00 -0.02 0.00 0.00 31.44 32.22 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 2.38 0.00 -0.89 3.49 0.13 -1.96 -2.57 132.00 132.58 2dk9 h PRO 52 Ca -0.20 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.05 2dk9 h PRO 52 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 2dk9 h PRO 52 CO 0.19 0.00 0.51 1.03 -0.23 0.00 0.00 178.00 179.50 2dk9 h SER 53 N 0.00 0.70 -0.02 1.44 0.87 -1.97 0.76 113.55 115.33 2dk9 h SER 53 Ca 0.00 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2dk9 h SER 53 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2dk9 h SER 53 CO 0.00 0.35 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.28 2dk9 h GLU 54 N 0.79 0.06 0.00 2.24 5.08 -1.90 -3.12 114.58 117.73 2dk9 h GLU 54 Ca 0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2dk9 h GLU 54 Cb 0.53 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2dk9 h GLU 54 CO -0.30 0.63 0.00 1.28 -1.00 0.00 0.00 179.01 179.62 2dk9 n LEU 55 N -4.75 0.02 -0.04 1.33 4.77 -0.84 -1.97 117.00 115.52 2dk9 n LEU 55 Ca -0.09 0.51 0.03 0.00 -0.03 0.00 0.00 56.01 56.43 2dk9 n LEU 55 Cb 0.32 -0.50 0.37 0.00 -2.33 0.00 0.00 43.42 41.28 2dk9 n LEU 55 CO 0.35 -0.28 1.15 1.56 -1.33 0.00 0.00 177.39 178.84 2dk9 h GLN 56 N 0.00 0.63 0.00 3.23 4.20 0.58 -3.22 115.11 120.53 2dk9 h GLN 56 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2dk9 h GLN 56 Cb 0.24 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2dk9 h GLN 56 CO 0.00 0.44 0.00 0.41 -0.67 0.00 0.00 178.83 179.01 2dk9 n GLY 57 N -1.38 -0.05 0.10 3.46 0.00 -1.16 -4.71 105.19 101.45 2dk9 n GLY 57 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 4.07 -1.42 -3.47 115.31 115.48 2dk9 h LEU 58 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2dk9 h LEU 58 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2dk9 h LEU 58 CO 0.00 0.78 0.00 0.61 -1.08 0.00 0.00 178.44 178.75 2dk9 n GLY 59 N 0.80 2.52 0.18 0.83 0.00 -1.22 -4.99 105.19 103.31 2dk9 n GLY 59 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.34 -0.87 4.61 0.00 -1.81 -1.67 119.26 119.18 2dk9 h ALA 60 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2dk9 h ALA 60 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 60 CO 0.00 -0.42 0.56 -0.07 0.00 0.00 0.00 179.25 179.32 2dk9 h LEU 61 N -0.89 0.93 -0.25 0.00 3.38 -1.88 0.70 115.31 117.29 2dk9 h LEU 61 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2dk9 h LEU 61 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2dk9 h LEU 61 CO 0.06 0.64 0.09 -0.33 0.09 0.00 0.00 178.44 178.99 2dk9 h GLU 62 N 1.09 0.38 -0.49 1.13 5.08 -1.93 0.23 114.58 120.07 2dk9 h GLU 62 Ca 0.34 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2dk9 h GLU 62 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2dk9 h GLU 62 CO -0.11 0.43 0.12 0.00 -1.00 0.00 0.00 179.01 178.45 2dk9 h ALA 63 N 0.93 0.65 0.04 3.43 0.00 -0.91 0.40 119.26 123.80 2dk9 h ALA 63 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2dk9 h ALA 63 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dk9 h ALA 63 CO -0.01 0.34 -0.02 1.15 0.00 0.00 0.00 179.25 180.71 2dk9 h THR 64 N 0.67 1.21 -0.42 0.00 2.02 -0.76 0.22 112.91 115.86 2dk9 h THR 64 Ca 0.15 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2dk9 h THR 64 Cb 0.33 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2dk9 h THR 64 CO 0.00 0.21 0.04 0.00 0.37 0.00 0.00 175.52 176.14 2dk9 h ALA 65 N 0.51 0.55 -0.08 6.16 0.00 -0.52 0.19 119.26 126.08 2dk9 h ALA 65 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2dk9 h ALA 65 Cb 0.38 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dk9 h ALA 65 CO 0.01 0.29 -0.01 2.35 0.00 0.00 0.00 179.25 181.89 2dk9 h TRP 66 N 0.55 0.17 -0.72 0.00 7.01 -0.23 -1.34 115.95 121.40 2dk9 h TRP 66 Ca 0.12 -0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.02 2dk9 h TRP 66 Cb 0.41 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 2dk9 h TRP 66 CO 0.03 0.46 0.17 0.00 -2.79 0.00 0.00 178.44 176.31 2dk9 h ALA 67 N 0.69 0.95 -0.28 2.65 0.00 -0.54 -1.67 119.26 121.06 2dk9 h ALA 67 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2dk9 h ALA 67 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2dk9 h ALA 67 CO 0.01 0.67 0.08 -0.07 0.00 0.00 0.00 179.25 179.94 2dk9 h LEU 68 N 1.09 0.41 -0.15 0.00 3.38 -0.59 0.45 115.31 119.91 2dk9 h LEU 68 Ca 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2dk9 h LEU 68 Cb 0.38 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2dk9 h LEU 68 CO 0.00 0.52 0.07 0.50 0.09 0.00 0.00 178.44 179.62 2dk9 h LYS 69 N 0.29 0.21 -0.46 1.13 3.64 -1.13 -1.93 116.57 118.31 2dk9 h LYS 69 Ca 0.09 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 2dk9 h LYS 69 Cb 0.26 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2dk9 h LYS 69 CO -0.00 0.27 -0.25 0.28 -2.27 0.00 0.00 179.45 177.48 2dk9 h VAL 70 N 0.10 1.27 -0.51 2.00 2.07 -1.26 -1.32 116.25 118.60 2dk9 h VAL 70 Ca 0.05 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.22 2dk9 h VAL 70 Cb 0.13 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2dk9 h VAL 70 CO -0.01 0.49 0.21 0.00 0.02 0.00 0.00 177.57 178.28 2dk9 h ALA 71 N 0.85 0.64 -0.26 1.67 0.00 0.04 0.86 119.26 123.05 2dk9 h ALA 71 Ca 0.10 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2dk9 h ALA 71 Cb 0.83 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2dk9 h ALA 71 CO 0.07 -0.18 -0.44 1.05 0.00 0.00 0.00 179.25 179.75 2dk9 h GLU 72 N 0.40 0.67 -0.38 0.00 4.11 -1.28 0.18 114.58 118.28 2dk9 h GLU 72 Ca 0.24 -0.37 -0.14 0.00 0.07 0.00 0.00 59.36 59.17 2dk9 h GLU 72 Cb 0.23 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2dk9 h GLU 72 CO -0.22 0.98 -0.30 -0.91 0.07 0.00 0.00 179.01 178.62 2dk9 h ASN 73 N 0.54 0.92 0.19 3.06 4.21 -0.29 0.95 115.58 125.15 2dk9 h ASN 73 Ca 0.04 -0.45 -0.26 0.00 1.21 0.00 0.00 56.30 56.83 2dk9 h ASN 73 Cb 0.98 -0.26 0.03 0.00 -1.12 0.00 0.00 38.32 37.95 2dk9 h ASN 73 CO 0.09 1.17 -1.18 -0.33 -1.29 0.00 0.00 177.43 175.89 2dk9 h GLU 74 N 0.67 0.40 0.04 0.81 3.07 0.73 -3.39 114.58 116.91 2dk9 h GLU 74 Ca 0.07 -0.69 -0.37 0.00 -0.50 0.00 0.00 59.36 57.87 2dk9 h GLU 74 Cb 0.88 0.26 -0.05 0.00 -0.84 0.00 0.00 28.75 29.00 2dk9 h GLU 74 CO 0.08 1.33 -2.25 1.28 -1.40 0.00 0.00 179.01 178.05 2dk9 n LEU 75 N -3.92 2.20 0.00 1.33 4.32 0.62 -5.02 117.00 116.53 2dk9 n LEU 75 Ca -0.17 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 2dk9 n LEU 75 Cb 0.96 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 2dk9 n LEU 75 CO 0.53 0.79 0.00 0.61 -1.22 0.00 0.00 177.39 178.10 2dk9 n GLY 76 N 2.03 1.18 3.66 -0.72 0.00 0.33 -5.01 105.19 106.66 2dk9 n GLY 76 Ca -0.37 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 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 5.10 -0.15 -0.61 1.01 -1.23 -4.99 121.20 118.33 2dk9 s ILE 77 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 60.65 61.33 2dk9 s ILE 77 Cb 0.00 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 2dk9 s ILE 77 CO 0.00 0.17 1.32 0.28 0.00 0.00 0.00 174.94 176.70 2dk9 s THR 78 N 1.68 4.19 0.56 2.92 -1.32 -1.26 -4.19 115.64 118.21 2dk9 s THR 78 Ca 0.24 1.43 -0.20 0.00 -1.21 0.00 0.00 61.69 61.96 2dk9 s THR 78 Cb -0.15 -3.93 -0.07 0.00 -1.51 0.00 0.00 72.50 66.84 2dk9 s THR 78 CO 0.10 -0.13 0.93 -2.65 -2.21 0.00 0.00 174.62 170.66 2dk9 n PRO 79 N 6.69 0.98 0.00 7.08 -0.02 -1.26 -4.94 135.00 143.53 2dk9 n PRO 79 Ca 0.14 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2dk9 n PRO 79 Cb 0.45 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.42 0.28 -3.77 -1.45 0.31 -1.26 -5.08 118.33 105.94 2dk9 n VAL 80 Ca 0.12 -0.44 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 2dk9 n VAL 80 Cb 0.45 1.07 -0.06 0.00 -0.91 0.00 0.00 33.84 34.39 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 -0.28 0.11 0.15 2.52 -7.23 -1.26 -4.91 120.40 109.50 2dk9 s VAL 81 Ca 0.00 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 2dk9 s VAL 81 Cb 0.00 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2dk9 s VAL 81 CO 0.00 -0.50 0.25 -0.44 -0.31 0.00 0.00 175.10 174.10 2dk9 s SER 82 N -2.84 6.16 0.19 4.85 0.01 -1.26 -5.02 113.70 115.79 2dk9 s SER 82 Ca 0.05 0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.30 2dk9 s SER 82 Cb 0.04 -1.81 0.11 0.00 0.21 0.00 0.00 66.02 64.57 2dk9 s SER 82 CO -0.11 0.06 1.86 0.00 0.41 0.00 0.00 173.24 175.46 2dk9 h ALA 83 N 2.25 0.81 -0.93 1.44 0.00 -1.94 -2.15 119.26 118.75 2dk9 h ALA 83 Ca -0.48 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.49 2dk9 h ALA 83 Cb 1.19 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2dk9 h ALA 83 CO 0.68 0.23 0.57 0.37 0.00 0.00 0.00 179.25 181.10 2dk9 h GLN 84 N 0.86 0.91 -0.33 0.00 4.15 -1.96 -0.34 115.11 118.40 2dk9 h GLN 84 Ca 0.24 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.47 2dk9 h GLN 84 Cb -0.09 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.38 2dk9 h GLN 84 CO -0.05 0.60 -0.30 0.00 -1.93 0.00 0.00 178.83 177.15 2dk9 h ALA 85 N 1.49 0.84 0.07 3.38 0.00 -1.85 -1.92 119.26 121.28 2dk9 h ALA 85 Ca 0.45 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dk9 h ALA 85 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dk9 h ALA 85 CO -0.24 0.64 -0.03 0.28 0.00 0.00 0.00 179.25 179.89 2dk9 h VAL 86 N 0.61 1.12 0.00 0.00 2.07 -0.61 -1.62 116.25 117.81 2dk9 h VAL 86 Ca 0.07 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2dk9 h VAL 86 Cb 0.82 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2dk9 h VAL 86 CO 0.07 0.17 -0.15 0.58 0.02 0.00 0.00 177.57 178.26 2dk9 h VAL 87 N -0.40 0.78 0.00 2.57 2.07 -1.13 -1.62 116.25 118.53 2dk9 h VAL 87 Ca -0.01 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2dk9 h VAL 87 Cb 0.35 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2dk9 h VAL 87 CO 0.02 0.14 -0.27 0.00 0.02 0.00 0.00 177.57 177.48 2dk9 n ALA 88 N -2.36 2.64 -2.16 1.67 0.00 -0.72 -4.67 120.51 114.91 2dk9 n ALA 88 Ca -0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 2dk9 n ALA 88 Cb 0.24 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 0.08 2.18 0.00 0.00 -0.61 -4.85 105.19 103.35 2dk9 n GLY 89 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2dk9 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk9 n SER 90 N -1.61 5.32 -3.09 1.61 2.88 -1.18 -4.75 113.62 112.80 2dk9 n SER 90 Ca -0.19 -3.75 -0.17 0.00 -1.33 0.00 0.00 58.87 53.43 2dk9 n SER 90 Cb 0.62 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 2dk9 n SER 90 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2dk9 n ASP 91 N -0.68 -0.07 -0.23 -3.46 2.03 -1.26 -4.97 116.55 107.91 2dk9 n ASP 91 Ca 0.46 -3.08 -0.06 0.00 0.52 0.00 0.00 54.79 52.62 2dk9 n ASP 91 Cb 0.84 -0.04 0.04 0.00 -0.72 0.00 0.00 41.12 41.24 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 3.26 0.91 -0.76 -0.67 0.13 -1.91 -0.33 132.00 132.63 2dk9 h PRO 92 Ca 0.04 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2dk9 h PRO 92 Cb 0.98 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 2dk9 h PRO 92 CO 0.42 0.71 0.40 -0.07 -0.23 0.00 0.00 178.00 179.22 2dk9 h LEU 93 N 0.87 0.95 -0.10 1.56 4.07 -2.00 -1.86 115.31 118.81 2dk9 h LEU 93 Ca 0.22 -0.09 -0.24 0.00 0.08 0.00 0.00 57.88 57.85 2dk9 h LEU 93 Cb 0.08 -0.24 0.01 0.00 1.08 0.00 0.00 40.66 41.59 2dk9 h LEU 93 CO -0.03 0.78 -0.94 1.23 -1.08 0.00 0.00 178.44 178.39 2dk9 h GLY 94 N 1.10 0.73 1.00 0.83 0.00 -1.83 -2.55 103.07 102.34 2dk9 h GLY 94 Ca 0.27 -1.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.39 2dk9 h GLY 94 CO -0.04 1.06 0.37 1.41 0.00 0.00 0.00 176.54 179.34 2dk9 h LEU 95 N 0.40 0.77 -0.21 3.11 3.38 -0.81 0.15 115.31 122.09 2dk9 h LEU 95 Ca -0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2dk9 h LEU 95 Cb 1.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2dk9 h LEU 95 CO 0.18 0.62 -0.07 0.40 0.09 0.00 0.00 178.44 179.66 2dk9 h ILE 96 N 0.86 1.29 -0.37 1.22 2.04 -1.40 -0.82 117.51 120.33 2dk9 h ILE 96 Ca 0.22 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 2dk9 h ILE 96 Cb 0.00 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2dk9 h ILE 96 CO -0.04 0.33 0.19 0.00 0.00 0.00 0.00 178.15 178.63 2dk9 h ALA 97 N 0.73 0.48 -0.23 1.87 0.00 -1.27 -0.42 119.26 120.42 2dk9 h ALA 97 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2dk9 h ALA 97 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2dk9 h ALA 97 CO 0.02 0.03 0.09 -0.92 0.00 0.00 0.00 179.25 178.47 2dk9 h TYR 98 N 0.47 0.36 -0.26 0.00 5.03 -0.70 -2.63 116.97 119.23 2dk9 h TYR 98 Ca 0.13 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 2dk9 h TYR 98 Cb 0.10 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 2dk9 h TYR 98 CO -0.02 0.39 0.08 1.25 -1.32 0.00 0.00 178.16 178.55 2dk9 h LEU 99 N 0.22 0.32 -0.63 2.82 6.46 -1.01 -2.32 115.31 121.17 2dk9 h LEU 99 Ca 0.08 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2dk9 h LEU 99 Cb 0.19 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 2dk9 h LEU 99 CO -0.01 0.32 0.40 -1.28 -0.62 0.00 0.00 178.44 177.26 2dk9 h SER 100 N 0.36 0.73 -0.20 1.25 0.87 -0.71 0.14 113.55 115.99 2dk9 h SER 100 Ca 0.09 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 2dk9 h SER 100 Cb 0.11 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2dk9 h SER 100 CO -0.01 0.55 -0.03 0.45 -0.53 0.00 0.00 176.83 177.27 2dk9 h HIS 101 N 0.85 0.41 -0.81 2.24 3.86 -1.24 -0.90 115.15 119.56 2dk9 h HIS 101 Ca 0.23 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 2dk9 h HIS 101 Cb -0.07 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.26 2dk9 h HIS 101 CO -0.03 0.60 0.43 0.74 0.86 0.00 0.00 177.93 180.53 2dk9 h PHE 102 N 0.11 1.12 -0.42 2.45 -1.00 -1.23 -2.25 116.94 115.72 2dk9 h PHE 102 Ca 0.05 -0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 2dk9 h PHE 102 Cb 0.45 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2dk9 h PHE 102 CO 0.04 0.79 -0.17 1.25 -1.61 0.00 0.00 178.31 178.61 2dk9 h HIS 103 N 1.14 0.98 -0.65 -0.55 2.76 -0.62 -1.36 115.15 116.86 2dk9 h HIS 103 Ca 0.28 -0.23 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 2dk9 h HIS 103 Cb 0.05 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.74 2dk9 h HIS 103 CO 0.01 1.00 0.39 1.03 -1.30 0.00 0.00 177.93 179.06 2dk9 h SER 104 N 0.68 0.63 0.44 3.26 0.87 -0.79 0.30 113.55 118.95 2dk9 h SER 104 Ca 0.10 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 2dk9 h SER 104 Cb 0.72 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2dk9 h SER 104 CO 0.06 0.43 -0.60 0.00 -0.53 0.00 0.00 176.83 176.19 2dk9 h ALA 105 N 1.29 0.91 -0.01 6.23 0.00 -1.34 0.26 119.26 126.59 2dk9 h ALA 105 Ca 0.27 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2dk9 h ALA 105 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2dk9 h ALA 105 CO -0.12 0.73 -0.71 0.74 0.00 0.00 0.00 179.25 179.89 2dk9 h PHE 106 N 0.12 0.13 0.03 0.00 -1.00 -0.43 -3.19 116.94 112.59 2dk9 h PHE 106 Ca -0.01 -0.06 -0.29 0.00 2.81 0.00 0.00 57.97 60.42 2dk9 h PHE 106 Cb 1.09 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.59 2dk9 h PHE 106 CO 0.01 0.77 -1.65 -0.22 -1.61 0.00 0.00 178.31 175.61 2dk9 h LYS 107 N 0.06 0.06 -0.64 1.51 3.64 -0.30 -3.34 116.57 117.56 2dk9 h LYS 107 Ca -0.01 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2dk9 h LYS 107 Cb 1.26 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 2dk9 h LYS 107 CO 0.10 0.70 0.42 1.03 -2.27 0.00 0.00 179.45 179.44 2dk9 h SER 108 N 0.02 0.57 -0.02 4.20 0.87 -0.51 -3.51 113.55 115.17 2dk9 h SER 108 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2dk9 h SER 108 Cb 1.99 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 2dk9 h SER 108 CO 0.09 0.38 0.00 0.23 -0.53 0.00 0.00 176.83 177.00