#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 -1.80 1.94 3.03 0.00 -1.26 -5.18 105.19 101.92 2dk9 n GLY -7 Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 46.02 46.58 2dk9 n GLY -7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dk9 n HIS -6 N 0.00 -3.34 -3.60 1.61 -0.00 -1.26 -5.11 115.22 103.52 2dk9 n HIS -6 Ca 0.00 -0.82 -0.20 0.00 -0.00 0.00 0.00 57.72 56.71 2dk9 n HIS -6 Cb 0.00 -0.40 -0.15 0.00 -0.00 0.00 0.00 29.99 29.44 2dk9 n HIS -6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dk9 s HIS -5 N -1.64 -0.11 0.31 4.41 4.02 -1.26 -5.14 115.29 115.89 2dk9 s HIS -5 Ca 0.34 0.25 -0.29 0.00 1.02 0.00 0.00 55.06 56.38 2dk9 s HIS -5 Cb -0.02 -0.41 -0.10 0.00 -1.02 0.00 0.00 32.58 31.03 2dk9 s HIS -5 CO 0.23 -0.43 1.34 -3.38 1.02 0.00 0.00 174.74 173.52 2dk9 s HIS -4 N 2.26 3.02 -0.55 1.40 0.00 -1.26 -4.95 115.29 115.21 2dk9 s HIS -4 Ca 0.04 1.32 0.03 0.00 -3.00 0.00 0.00 55.06 53.45 2dk9 s HIS -4 Cb -0.14 -3.72 0.41 0.00 -4.00 0.00 0.00 32.58 25.12 2dk9 s HIS -4 CO -0.08 -2.07 1.45 -2.39 -1.00 0.00 0.00 174.74 170.64 2dk9 n HIS -3 N 1.12 3.19 -0.10 0.38 -0.00 -1.26 -4.45 115.22 114.10 2dk9 n HIS -3 Ca 0.01 -2.77 -0.22 0.00 -0.00 0.00 0.00 57.72 54.75 2dk9 n HIS -3 Cb 0.41 -0.53 -0.12 0.00 -0.00 0.00 0.00 29.99 29.76 2dk9 n HIS -3 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2dk9 h HIS -2 N 2.60 0.00 0.00 -1.40 3.86 -1.98 -3.46 115.15 114.76 2dk9 h HIS -2 Ca 0.41 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.54 2dk9 h HIS -2 Cb 0.75 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.15 2dk9 h HIS -2 CO 0.97 1.49 -0.15 -2.39 0.86 0.00 0.00 177.93 178.71 2dk9 n HIS -1 N -4.43 -0.45 -3.18 2.45 -0.00 -1.26 -5.11 115.22 103.24 2dk9 n HIS -1 Ca -0.32 -0.53 0.05 0.00 -0.00 0.00 0.00 57.72 56.92 2dk9 n HIS -1 Cb 0.68 0.67 -0.03 0.00 -0.00 0.00 0.00 29.99 31.32 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 0.03 0.10 0.00 -1.40 -2.45 -1.26 -4.99 119.30 109.32 2dk9 s MET 0 Ca 0.02 0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.66 2dk9 s MET 0 Cb 0.10 0.11 0.00 0.00 1.25 0.00 0.00 34.83 36.29 2dk9 s MET 0 CO -0.03 -0.08 0.00 0.41 1.05 0.00 0.00 175.02 176.37 2dk9 n GLY 1 N 5.23 1.51 0.45 2.11 0.00 -1.26 -4.63 105.19 108.60 2dk9 n GLY 1 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.95 0.02 1.61 7.64 -1.26 -4.59 113.62 118.99 2dk9 n SER 2 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2dk9 n SER 2 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.00 0.64 0.00 -0.43 0.00 -1.97 -3.34 119.26 114.16 2dk9 h ALA 3 Ca 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 54.91 53.63 2dk9 h ALA 3 Cb 0.77 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2dk9 h ALA 3 CO 0.00 1.33 -0.61 0.78 0.00 0.00 0.00 179.25 180.75 2dk9 h GLY 4 N 3.41 0.00 1.83 0.00 0.00 -1.97 -3.19 103.07 103.15 2dk9 h GLY 4 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2dk9 h GLY 4 CO 0.09 0.00 -0.34 -0.91 0.00 0.00 0.00 176.54 175.38 2dk9 h THR 5 N 0.00 1.27 -0.25 4.70 1.35 -1.81 -2.75 112.91 115.42 2dk9 h THR 5 Ca -0.01 -1.30 -0.04 0.00 -0.55 0.00 0.00 66.41 64.51 2dk9 h THR 5 Cb 1.30 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 2dk9 h THR 5 CO 0.08 0.39 -0.03 -0.61 -0.25 0.00 0.00 175.52 175.10 2dk9 h GLN 6 N 0.17 0.37 -0.15 4.72 4.15 -1.68 0.16 115.11 122.85 2dk9 h GLN 6 Ca 0.02 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 2dk9 h GLN 6 Cb 0.68 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 2dk9 h GLN 6 CO 0.05 0.43 -0.05 1.49 -1.93 0.00 0.00 178.83 178.82 2dk9 h GLU 7 N 0.36 0.30 -0.03 1.69 4.57 -1.60 -0.38 114.58 119.48 2dk9 h GLU 7 Ca 0.08 -0.12 -0.14 0.00 -1.18 0.00 0.00 59.36 57.99 2dk9 h GLU 7 Cb 0.29 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2dk9 h GLU 7 CO 0.01 0.60 -0.64 1.05 -1.18 0.00 0.00 179.01 178.85 2dk9 h GLU 8 N -0.01 0.14 -0.11 1.92 4.11 -1.51 -2.52 114.58 116.60 2dk9 h GLU 8 Ca 0.04 -0.10 -0.05 0.00 0.07 0.00 0.00 59.36 59.31 2dk9 h GLU 8 Cb 0.49 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2dk9 h GLU 8 CO 0.02 0.73 -0.14 1.25 0.07 0.00 0.00 179.01 180.94 2dk9 h LEU 9 N 0.10 0.32 -1.12 3.06 5.85 -0.92 -2.46 115.31 120.13 2dk9 h LEU 9 Ca -0.01 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.16 2dk9 h LEU 9 Cb 1.15 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2dk9 h LEU 9 CO 0.09 0.76 0.13 0.25 -0.34 0.00 0.00 178.44 179.32 2dk9 h LEU 10 N -0.12 0.69 -0.55 2.25 7.12 -1.08 -1.86 115.31 121.77 2dk9 h LEU 10 Ca 0.02 -0.11 -0.08 0.00 0.13 0.00 0.00 57.88 57.83 2dk9 h LEU 10 Cb 0.68 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 2dk9 h LEU 10 CO 0.03 0.68 0.02 0.03 -0.13 0.00 0.00 178.44 179.07 2dk9 h ARG 11 N 0.72 0.96 -0.36 1.25 2.47 -1.43 -1.51 114.38 116.47 2dk9 h ARG 11 Ca 0.16 -0.29 -0.11 0.00 -1.26 0.00 0.00 59.98 58.48 2dk9 h ARG 11 Cb 0.26 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2dk9 h ARG 11 CO -0.00 0.95 -0.23 2.35 0.56 0.00 0.00 179.97 183.60 2dk9 h TRP 12 N 0.84 0.81 -0.20 3.04 7.01 -1.12 -1.92 115.95 124.41 2dk9 h TRP 12 Ca 0.16 -0.18 -0.07 0.00 2.11 0.00 0.00 58.89 60.91 2dk9 h TRP 12 Cb 0.51 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2dk9 h TRP 12 CO 0.04 0.88 -0.13 0.00 -2.79 0.00 0.00 178.44 176.43 2dk9 h GLN 14 N 0.12 1.13 -0.27 0.00 -0.00 -1.24 0.13 115.11 114.99 2dk9 h GLN 14 Ca 0.04 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.65 58.44 2dk9 h GLN 14 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.93 2dk9 h GLN 14 CO 0.04 0.93 -0.01 1.49 0.00 0.00 0.00 178.83 181.28 2dk9 h GLU 15 N 1.10 0.48 -0.06 1.69 4.22 -1.32 -1.54 114.58 119.15 2dk9 h GLU 15 Ca 0.25 -0.16 -0.11 0.00 0.08 0.00 0.00 59.36 59.43 2dk9 h GLU 15 Cb 0.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2dk9 h GLU 15 CO -0.02 0.65 -0.45 1.96 -2.18 0.00 0.00 179.01 178.97 2dk9 h GLN 16 N 0.26 0.15 -0.26 1.92 1.08 -1.11 -2.56 115.11 114.58 2dk9 h GLN 16 Ca 0.08 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2dk9 h GLN 16 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2dk9 h GLN 16 CO 0.01 0.57 0.00 2.41 -0.95 0.00 0.00 178.83 180.88 2dk9 n THR 17 N -4.00 0.34 -2.93 -0.54 -1.04 0.44 -4.86 114.28 101.69 2dk9 n THR 17 Ca -0.02 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.05 61.19 2dk9 n THR 17 Cb 0.49 0.27 -0.04 0.00 -1.82 0.00 0.00 70.33 69.23 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 -1.66 3.46 0.00 2.41 0.00 -0.59 -4.29 121.76 121.08 2dk9 s ALA 18 Ca 0.27 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2dk9 s ALA 18 Cb 0.14 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2dk9 s ALA 18 CO 0.20 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2dk9 n GLY 19 N 3.37 1.89 3.75 0.00 0.00 -1.26 -5.03 105.19 107.91 2dk9 n GLY 19 Ca 0.03 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 3.82 -0.91 1.61 1.51 -1.26 -4.97 117.35 117.16 2dk9 s TYR 20 Ca 0.00 1.81 -0.24 0.00 -1.01 0.00 0.00 57.07 57.63 2dk9 s TYR 20 Cb 0.00 -3.10 0.01 0.00 -0.11 0.00 0.00 41.96 38.77 2dk9 s TYR 20 CO 0.00 0.06 1.59 -1.25 -1.11 0.00 0.00 175.55 174.84 2dk9 s PRO 21 N -0.97 3.17 0.00 -1.71 0.04 -1.26 -2.80 135.00 131.47 2dk9 s PRO 21 Ca 0.44 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2dk9 s PRO 21 Cb -0.27 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.26 2dk9 s PRO 21 CO 0.34 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.24 2dk9 n GLY 22 N 6.53 0.72 3.66 0.56 0.00 -1.26 -5.10 105.19 110.30 2dk9 n GLY 22 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.47 4.55 -0.47 1.61 0.11 -1.12 -5.00 120.40 118.62 2dk9 s VAL 23 Ca 0.00 1.87 0.03 0.00 -2.93 0.00 0.00 61.98 60.95 2dk9 s VAL 23 Cb 0.00 -4.21 0.12 0.00 -1.53 0.00 0.00 36.38 30.77 2dk9 s VAL 23 CO 0.00 -0.14 0.20 -1.00 -3.33 0.00 0.00 175.10 170.83 2dk9 s HIS 24 N 3.14 3.39 -0.98 1.54 3.76 -1.26 -4.96 115.29 119.93 2dk9 s HIS 24 Ca 0.48 -3.07 -0.13 0.00 -0.15 0.00 0.00 55.06 52.19 2dk9 s HIS 24 Cb -0.18 -2.89 0.22 0.00 1.11 0.00 0.00 32.58 30.84 2dk9 s HIS 24 CO 0.10 -0.82 1.01 0.08 -0.85 0.00 0.00 174.74 174.26 2dk9 s VAL 25 N 0.14 5.56 0.00 -0.90 1.01 -1.26 -4.59 120.40 120.36 2dk9 s VAL 25 Ca 0.15 -2.69 0.01 0.00 0.00 0.00 0.00 61.98 59.45 2dk9 s VAL 25 Cb -0.23 -4.61 0.01 0.00 0.00 0.00 0.00 36.38 31.55 2dk9 s VAL 25 CO -0.03 -1.21 0.77 -0.24 0.00 0.00 0.00 175.10 174.39 2dk9 n SER 26 N 4.09 0.00 -3.94 3.32 2.88 -1.26 -4.58 113.62 114.13 2dk9 n SER 26 Ca 0.21 -1.54 -0.13 0.00 -1.33 0.00 0.00 58.87 56.08 2dk9 n SER 26 Cb 0.44 -0.10 -0.13 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.57 0.34 -0.62 -3.46 1.01 -1.26 -5.04 116.67 107.07 2dk9 s ASP 27 Ca 0.01 -0.17 -0.01 0.00 0.71 0.00 0.00 52.55 53.08 2dk9 s ASP 27 Cb 0.01 -0.00 0.45 0.00 1.01 0.00 0.00 42.92 44.39 2dk9 s ASP 27 CO -0.01 -0.05 2.02 -0.11 0.21 0.00 0.00 175.17 177.24 2dk9 n LEU 28 N 2.61 7.50 0.00 1.23 0.00 -1.26 -4.25 117.00 122.84 2dk9 n LEU 28 Ca -0.15 -4.13 0.00 0.00 0.00 0.00 0.00 56.01 51.73 2dk9 n LEU 28 Cb 0.58 -0.97 0.00 0.00 0.00 0.00 0.00 43.42 43.03 2dk9 n LEU 28 CO 0.24 1.41 0.00 -0.24 0.00 0.00 0.00 177.39 178.80 2dk9 n SER 29 N -0.82 0.00 -0.35 1.96 2.88 -1.26 -4.73 113.62 111.30 2dk9 n SER 29 Ca 0.59 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 58.16 2dk9 n SER 29 Cb 0.74 0.04 0.17 0.00 -0.75 0.00 0.00 64.21 64.41 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 0.95 -0.39 -3.46 0.87 -1.90 -1.05 113.55 108.57 2dk9 h SER 30 Ca 0.00 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.69 2dk9 h SER 30 Cb 0.00 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2dk9 h SER 30 CO 0.00 0.59 0.37 0.28 -0.53 0.00 0.00 176.83 177.54 2dk9 h SER 31 N 1.08 0.00 -0.60 6.23 0.02 -1.87 0.33 113.55 118.74 2dk9 h SER 31 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2dk9 h SER 31 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2dk9 h SER 31 CO -0.19 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.29 2dk9 n TRP 32 N -3.93 1.34 -0.05 3.45 7.02 -0.41 -4.50 117.44 120.35 2dk9 n TRP 32 Ca 0.07 -0.62 -0.11 0.00 -1.02 0.00 0.00 57.50 55.82 2dk9 n TRP 32 Cb 0.54 -0.22 -0.04 0.00 -2.42 0.00 0.00 31.31 29.17 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 3.73 0.25 -0.13 6.99 0.00 -0.22 -2.46 119.26 127.42 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 1.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dk9 h ALA 33 CO 0.20 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 2dk9 n ASP 34 N -4.85 1.09 -1.66 0.00 5.75 -1.26 -4.56 116.55 111.06 2dk9 n ASP 34 Ca -0.04 -1.69 -0.17 0.00 -0.01 0.00 0.00 54.79 52.88 2dk9 n ASP 34 Cb 0.11 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 2dk9 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dk9 n GLY 35 N 0.97 1.29 0.16 6.12 0.00 -0.93 -4.47 105.19 108.33 2dk9 n GLY 35 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 2dk9 n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dk9 h LEU 36 N 0.00 0.04 -0.25 0.99 5.85 -1.84 -2.58 115.31 117.52 2dk9 h LEU 36 Ca -0.36 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2dk9 h LEU 36 Cb 1.16 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2dk9 h LEU 36 CO 0.51 0.57 0.13 0.00 -0.34 0.00 0.00 178.44 179.31 2dk9 h ALA 37 N 1.43 0.32 -0.22 1.25 0.00 -1.88 0.46 119.26 120.63 2dk9 h ALA 37 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2dk9 h ALA 37 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2dk9 h ALA 37 CO 0.07 -0.14 -0.03 1.25 0.00 0.00 0.00 179.25 180.40 2dk9 h LEU 38 N 0.28 0.40 -0.91 0.00 5.85 -1.94 -2.46 115.31 116.54 2dk9 h LEU 38 Ca 0.09 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2dk9 h LEU 38 Cb 0.09 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2dk9 h LEU 38 CO -0.01 0.65 0.34 0.00 -0.34 0.00 0.00 178.44 179.08 2dk9 h ALA 40 N 1.26 1.22 0.14 0.00 0.00 0.05 -0.10 119.26 121.82 2dk9 h ALA 40 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2dk9 h ALA 40 Cb 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2dk9 h ALA 40 CO -0.03 0.54 -0.07 -0.07 0.00 0.00 0.00 179.25 179.62 2dk9 h LEU 41 N 1.23 -0.16 -0.38 0.00 3.38 -0.97 -0.83 115.31 117.59 2dk9 h LEU 41 Ca 0.36 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2dk9 h LEU 41 Cb -0.08 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2dk9 h LEU 41 CO -0.10 -0.01 0.21 0.58 0.09 0.00 0.00 178.44 179.22 2dk9 h VAL 42 N -0.31 1.02 -0.80 1.22 2.07 -1.18 -2.08 116.25 116.19 2dk9 h VAL 42 Ca -0.02 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2dk9 h VAL 42 Cb 0.25 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2dk9 h VAL 42 CO 0.03 0.08 0.53 0.22 0.02 0.00 0.00 177.57 178.45 2dk9 h TYR 43 N 0.43 0.97 -0.70 1.57 5.03 -0.92 0.91 116.97 124.26 2dk9 h TYR 43 Ca 0.15 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 2dk9 h TYR 43 Cb 0.03 -0.32 -0.03 0.00 1.55 0.00 0.00 36.73 37.95 2dk9 h TYR 43 CO -0.08 0.58 0.30 -0.09 -1.32 0.00 0.00 178.16 177.55 2dk9 h ARG 44 N 1.01 1.01 0.00 1.82 1.12 -0.48 0.99 114.38 119.86 2dk9 h ARG 44 Ca 0.31 -0.15 -0.25 0.00 -1.11 0.00 0.00 59.98 58.77 2dk9 h ARG 44 Cb -0.01 -0.18 -0.04 0.00 -0.01 0.00 0.00 29.97 29.73 2dk9 h ARG 44 CO -0.08 0.80 -1.42 -0.07 -3.11 0.00 0.00 179.97 176.09 2dk9 h LEU 45 N 1.00 0.00 -5.81 3.80 -0.00 -0.85 -3.41 115.31 110.03 2dk9 h LEU 45 Ca 0.24 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 57.66 2dk9 h LEU 45 Cb 0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 40.66 40.50 2dk9 h LEU 45 CO -0.03 0.96 -0.88 0.00 -0.00 0.00 0.00 178.44 178.50 2dk9 n GLN 46 N -3.14 0.53 0.13 1.13 6.02 0.31 -4.98 117.38 117.39 2dk9 n GLN 46 Ca -0.10 -2.79 -0.01 0.00 -0.01 0.00 0.00 57.00 54.09 2dk9 n GLN 46 Cb 0.99 -1.43 0.22 0.00 1.02 0.00 0.00 30.24 31.04 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 4.64 0.07 0.00 -1.09 0.13 0.85 -2.91 132.00 133.68 2dk9 h PRO 47 Ca 0.09 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 2dk9 h PRO 47 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2dk9 h PRO 47 CO 0.35 0.58 -0.06 0.78 -0.23 0.00 0.00 178.00 179.43 2dk9 h GLY 48 N 1.53 0.00 -3.62 1.56 0.00 -1.94 -2.96 103.07 97.65 2dk9 h GLY 48 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2dk9 h GLY 48 CO 0.07 0.00 -0.48 1.04 0.00 0.00 0.00 176.54 177.18 2dk9 n LEU 49 N -3.23 5.31 -3.84 3.11 4.77 -1.10 -5.02 117.00 116.99 2dk9 n LEU 49 Ca -0.01 -4.60 -0.06 0.00 -0.03 0.00 0.00 56.01 51.31 2dk9 n LEU 49 Cb 0.27 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2dk9 n LEU 49 CO 0.27 1.94 0.53 -0.22 -1.33 0.00 0.00 177.39 178.58 2dk9 s LEU 50 N -3.61 -0.22 -0.46 2.23 2.96 -1.12 -5.01 118.68 113.45 2dk9 s LEU 50 Ca 0.53 -0.61 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2dk9 s LEU 50 Cb 0.43 2.62 0.30 0.00 0.50 0.00 0.00 46.19 50.04 2dk9 s LEU 50 CO 0.03 -1.28 1.04 -0.62 -1.32 0.00 0.00 176.35 174.19 2dk9 n GLU 51 N -0.47 0.96 0.30 1.98 1.02 -1.26 -4.92 120.64 118.24 2dk9 n GLU 51 Ca -0.05 -1.96 0.18 0.00 -0.02 0.00 0.00 57.16 55.31 2dk9 n GLU 51 Cb 0.59 -1.16 0.94 0.00 -0.02 0.00 0.00 31.44 31.79 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 3.24 0.00 -0.37 3.49 0.13 -1.96 -2.06 132.00 134.47 2dk9 h PRO 52 Ca -0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2dk9 h PRO 52 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2dk9 h PRO 52 CO 0.20 0.00 0.19 0.66 -0.23 0.00 0.00 178.00 178.81 2dk9 h SER 53 N 0.00 0.48 0.00 1.44 4.64 -1.98 0.20 113.55 118.34 2dk9 h SER 53 Ca 0.00 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2dk9 h SER 53 Cb 0.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2dk9 h SER 53 CO 0.00 0.46 -0.00 -0.08 -0.87 0.00 0.00 176.83 176.34 2dk9 h GLU 54 N 0.46 -0.00 0.00 4.77 4.57 -1.81 -3.13 114.58 119.44 2dk9 h GLU 54 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2dk9 h GLU 54 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2dk9 h GLU 54 CO -0.02 0.59 0.00 -0.07 -1.18 0.00 0.00 179.01 178.33 2dk9 h LEU 55 N -0.60 0.00 -0.97 1.64 -0.00 -1.53 0.11 115.31 113.96 2dk9 h LEU 55 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2dk9 h LEU 55 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.21 2dk9 h LEU 55 CO 0.00 0.00 0.56 -0.61 -0.00 0.00 0.00 178.44 178.40 2dk9 h GLN 56 N 0.00 1.27 0.00 1.13 -0.00 -0.89 -3.27 115.11 113.36 2dk9 h GLN 56 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 2dk9 h GLN 56 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 27.48 27.33 2dk9 h GLN 56 CO 0.00 0.89 -0.11 0.41 0.00 0.00 0.00 178.83 180.02 2dk9 n GLY 57 N -1.25 0.82 0.26 2.39 0.00 -0.99 -4.63 105.19 101.79 2dk9 n GLY 57 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 0.13 0.00 0.99 4.07 -0.85 -3.46 115.31 116.19 2dk9 h LEU 58 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2dk9 h LEU 58 Cb 0.04 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2dk9 h LEU 58 CO 0.00 0.16 0.00 0.61 -1.08 0.00 0.00 178.44 178.13 2dk9 n GLY 59 N -1.32 2.72 0.11 0.83 0.00 -1.24 -4.96 105.19 101.32 2dk9 n GLY 59 Ca -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.36 -0.66 4.61 0.00 -1.84 -2.41 119.26 118.60 2dk9 h ALA 60 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2dk9 h ALA 60 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2dk9 h ALA 60 CO 0.00 -0.34 0.29 1.25 0.00 0.00 0.00 179.25 180.45 2dk9 h LEU 61 N -0.62 0.85 -0.48 0.00 6.46 -1.91 -2.17 115.31 117.44 2dk9 h LEU 61 Ca -0.02 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2dk9 h LEU 61 Cb 0.18 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 2dk9 h LEU 61 CO 0.04 0.74 0.28 -0.08 -0.62 0.00 0.00 178.44 178.80 2dk9 h GLU 62 N 0.93 0.66 -0.48 1.25 4.57 -1.94 0.22 114.58 119.80 2dk9 h GLU 62 Ca 0.23 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2dk9 h GLU 62 Cb 0.13 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2dk9 h GLU 62 CO -0.03 0.49 0.16 0.00 -1.18 0.00 0.00 179.01 178.45 2dk9 h ALA 63 N 1.13 0.62 0.05 2.92 0.00 -1.10 0.13 119.26 123.00 2dk9 h ALA 63 Ca 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dk9 h ALA 63 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2dk9 h ALA 63 CO -0.03 0.27 -0.02 1.15 0.00 0.00 0.00 179.25 180.61 2dk9 h THR 64 N 0.63 1.20 -0.61 0.00 2.02 -1.18 0.28 112.91 115.26 2dk9 h THR 64 Ca 0.15 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 2dk9 h THR 64 Cb 0.25 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 2dk9 h THR 64 CO -0.01 0.21 0.35 0.00 0.37 0.00 0.00 175.52 176.45 2dk9 h ALA 65 N 0.50 0.77 -0.45 6.16 0.00 -0.54 0.38 119.26 126.08 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 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 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 0.82 0.92 -0.26 0.00 7.01 -0.75 -1.43 115.95 122.27 2dk9 h TRP 66 Ca 0.22 -0.18 -0.16 0.00 2.11 0.00 0.00 58.89 60.88 2dk9 h TRP 66 Cb 0.00 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 2dk9 h TRP 66 CO -0.02 0.90 -0.48 0.00 -2.79 0.00 0.00 178.44 176.06 2dk9 h ALA 67 N 0.89 0.66 -0.24 2.65 0.00 -0.68 -1.96 119.26 120.58 2dk9 h ALA 67 Ca 0.12 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2dk9 h ALA 67 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2dk9 h ALA 67 CO 0.03 0.68 -0.01 -0.07 0.00 0.00 0.00 179.25 179.88 2dk9 h LEU 68 N 0.56 0.42 -0.11 0.00 4.07 -0.17 0.48 115.31 120.56 2dk9 h LEU 68 Ca 0.03 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 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 0.64 0.03 0.11 -1.08 0.00 0.00 178.44 178.24 2dk9 h LYS 69 N 0.19 0.17 -0.41 1.13 1.57 -1.27 -2.34 116.57 115.61 2dk9 h LYS 69 Ca 0.07 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 2dk9 h LYS 69 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2dk9 h LYS 69 CO 0.01 0.34 -0.27 -0.39 -0.57 0.00 0.00 179.45 178.58 2dk9 h VAL 70 N -0.03 1.27 -0.68 0.50 -1.51 -1.36 -2.01 116.25 112.43 2dk9 h VAL 70 Ca 0.03 -1.42 0.08 0.00 -1.23 0.00 0.00 66.70 64.16 2dk9 h VAL 70 Cb 0.25 1.25 -0.07 0.00 -2.13 0.00 0.00 31.29 30.59 2dk9 h VAL 70 CO 0.00 0.48 0.34 0.00 -1.23 0.00 0.00 177.57 177.16 2dk9 h ALA 71 N 0.95 0.92 -0.29 5.19 0.00 0.06 0.97 119.26 127.06 2dk9 h ALA 71 Ca 0.09 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2dk9 h ALA 71 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2dk9 h ALA 71 CO 0.07 -0.04 -0.40 1.49 0.00 0.00 0.00 179.25 180.37 2dk9 h GLU 72 N 0.60 0.70 -0.25 0.00 4.22 -1.31 0.33 114.58 118.87 2dk9 h GLU 72 Ca 0.33 -0.36 -0.17 0.00 0.08 0.00 0.00 59.36 59.24 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 0.97 -0.49 -0.91 -2.18 0.00 0.00 179.01 176.16 2dk9 h ASN 73 N 0.57 0.87 0.19 1.04 4.21 -0.45 0.32 115.58 122.33 2dk9 h ASN 73 Ca 0.05 -0.54 -0.26 0.00 1.21 0.00 0.00 56.30 56.75 2dk9 h ASN 73 Cb 0.94 -0.25 0.03 0.00 -1.12 0.00 0.00 38.32 37.92 2dk9 h ASN 73 CO 0.09 1.25 -1.18 -0.33 -1.29 0.00 0.00 177.43 175.97 2dk9 h GLU 74 N 0.53 0.40 0.00 0.81 4.39 0.95 -3.41 114.58 118.24 2dk9 h GLU 74 Ca 0.01 -0.68 -0.39 0.00 0.34 0.00 0.00 59.36 58.64 2dk9 h GLU 74 Cb 1.10 0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 29.94 2dk9 h GLU 74 CO 0.11 1.33 -2.37 1.28 -1.16 0.00 0.00 179.01 178.19 2dk9 n LEU 75 N -3.92 2.34 0.00 1.33 4.77 0.11 -5.04 117.00 116.59 2dk9 n LEU 75 Ca -0.17 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2dk9 n LEU 75 Cb 0.96 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2dk9 n LEU 75 CO 0.53 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 2dk9 n GLY 76 N 1.87 1.50 3.62 -0.72 0.00 0.11 -4.99 105.19 106.59 2dk9 n GLY 76 Ca -0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 4.82 0.14 -0.61 1.01 -1.25 -4.93 121.20 118.37 2dk9 s ILE 77 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 2dk9 s ILE 77 Cb 0.00 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2dk9 s ILE 77 CO 0.00 -0.19 1.17 0.28 0.00 0.00 0.00 174.94 176.19 2dk9 s THR 78 N 2.89 3.83 0.24 2.92 -1.32 -1.26 -3.93 115.64 119.01 2dk9 s THR 78 Ca 0.32 1.46 -0.31 0.00 -1.21 0.00 0.00 61.69 61.95 2dk9 s THR 78 Cb -0.14 -3.94 -0.13 0.00 -1.51 0.00 0.00 72.50 66.78 2dk9 s THR 78 CO 0.11 0.20 1.45 -2.65 -2.21 0.00 0.00 174.62 171.52 2dk9 n PRO 79 N 2.97 2.12 -0.01 7.08 -0.02 -1.26 -4.91 135.00 140.97 2dk9 n PRO 79 Ca 0.05 0.76 0.01 0.00 -2.02 0.00 0.00 63.50 62.30 2dk9 n PRO 79 Cb 0.46 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 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 2.13 0.14 -4.28 -1.45 0.31 -1.26 -5.05 118.33 108.87 2dk9 n VAL 80 Ca 0.12 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.13 2dk9 n VAL 80 Cb 0.32 -0.09 -0.10 0.00 -0.91 0.00 0.00 33.84 33.06 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 -2.30 1.27 0.24 2.52 -7.23 -1.26 -5.06 120.40 108.58 2dk9 s VAL 81 Ca -0.02 -2.09 -0.10 0.00 -1.81 0.00 0.00 61.98 57.96 2dk9 s VAL 81 Cb 0.03 -1.93 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 2dk9 s VAL 81 CO 0.23 -0.68 0.57 -0.94 -0.31 0.00 0.00 175.10 173.97 2dk9 s SER 82 N -3.21 6.62 0.17 4.85 1.04 -1.26 -5.00 113.70 116.92 2dk9 s SER 82 Ca 0.19 0.94 -0.13 0.00 0.48 0.00 0.00 55.95 57.43 2dk9 s SER 82 Cb 0.02 -2.23 0.08 0.00 0.10 0.00 0.00 66.02 63.98 2dk9 s SER 82 CO 0.02 -0.10 1.79 0.00 0.98 0.00 0.00 173.24 175.93 2dk9 h ALA 83 N 2.43 0.74 -0.89 5.32 0.00 -1.95 -2.39 119.26 122.52 2dk9 h ALA 83 Ca -0.47 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.46 2dk9 h ALA 83 Cb 1.17 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2dk9 h ALA 83 CO 0.69 0.25 0.57 0.37 0.00 0.00 0.00 179.25 181.13 2dk9 h GLN 84 N 0.78 0.79 -0.38 0.00 -0.00 -1.96 0.47 115.11 114.81 2dk9 h GLN 84 Ca 0.20 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.69 2dk9 h GLN 84 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.33 2dk9 h GLN 84 CO -0.03 0.52 -0.20 0.00 0.00 0.00 0.00 178.83 179.12 2dk9 h ALA 85 N 1.57 0.54 0.07 3.38 0.00 -1.85 -1.22 119.26 121.75 2dk9 h ALA 85 Ca 0.42 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dk9 h ALA 85 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2dk9 h ALA 85 CO -0.19 0.50 -0.03 0.28 0.00 0.00 0.00 179.25 179.81 2dk9 h VAL 86 N 0.62 1.13 0.00 0.00 2.07 -0.85 -1.52 116.25 117.71 2dk9 h VAL 86 Ca 0.08 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2dk9 h VAL 86 Cb 0.76 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2dk9 h VAL 86 CO 0.06 0.18 -0.14 0.58 0.02 0.00 0.00 177.57 178.27 2dk9 h VAL 87 N -0.41 0.88 0.00 2.57 2.07 -0.99 -1.45 116.25 118.92 2dk9 h VAL 87 Ca -0.01 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2dk9 h VAL 87 Cb 0.36 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2dk9 h VAL 87 CO 0.02 0.14 -0.26 0.00 0.02 0.00 0.00 177.57 177.48 2dk9 n ALA 88 N -2.42 2.65 -2.20 1.67 0.00 -0.46 -4.78 120.51 114.97 2dk9 n ALA 88 Ca -0.02 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 2dk9 n ALA 88 Cb 0.22 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 0.05 1.35 0.00 0.00 -0.55 -4.85 105.19 102.57 2dk9 n GLY 89 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.77 3.08 -2.79 1.61 7.64 -1.13 -4.66 113.62 115.61 2dk9 n SER 90 Ca -0.21 -3.80 -0.10 0.00 1.01 0.00 0.00 58.87 55.77 2dk9 n SER 90 Cb 0.66 -0.63 0.08 0.00 -1.01 0.00 0.00 64.21 63.31 2dk9 n SER 90 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dk9 n ASP 91 N -1.07 -1.57 -0.32 6.43 -0.08 -1.26 -4.99 116.55 113.70 2dk9 n ASP 91 Ca 0.37 -3.26 -0.04 0.00 -1.51 0.00 0.00 54.79 50.34 2dk9 n ASP 91 Cb 1.01 1.22 0.09 0.00 2.34 0.00 0.00 41.12 45.78 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 2.77 1.23 -0.59 -0.67 0.13 -1.84 -2.31 132.00 130.72 2dk9 h PRO 92 Ca -0.11 -0.16 0.03 0.00 -0.87 0.00 0.00 66.00 64.89 2dk9 h PRO 92 Cb 1.13 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 2dk9 h PRO 92 CO 0.16 0.92 0.35 1.25 -0.23 0.00 0.00 178.00 180.45 2dk9 h LEU 93 N 1.22 0.55 -0.82 1.56 6.46 -1.96 -1.71 115.31 120.61 2dk9 h LEU 93 Ca 0.30 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.97 2dk9 h LEU 93 Cb 0.07 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 2dk9 h LEU 93 CO -0.04 0.38 -0.20 1.23 -0.62 0.00 0.00 178.44 179.18 2dk9 h GLY 94 N 0.68 0.71 0.99 3.75 0.00 -1.92 -2.57 103.07 104.71 2dk9 h GLY 94 Ca 0.24 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2dk9 h GLY 94 CO -0.12 0.53 0.31 -2.00 0.00 0.00 0.00 176.54 175.26 2dk9 h LEU 95 N 0.58 0.76 -0.66 3.11 7.12 -0.84 -2.22 115.31 123.16 2dk9 h LEU 95 Ca 0.09 -0.11 -0.05 0.00 0.13 0.00 0.00 57.88 57.94 2dk9 h LEU 95 Cb 0.67 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.58 2dk9 h LEU 95 CO 0.05 0.65 0.20 0.40 -0.13 0.00 0.00 178.44 179.61 2dk9 h ILE 96 N 0.81 1.25 -0.42 4.05 2.04 -1.21 -2.38 117.51 121.66 2dk9 h ILE 96 Ca 0.21 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.21 2dk9 h ILE 96 Cb 0.07 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2dk9 h ILE 96 CO -0.03 0.34 0.28 0.00 0.00 0.00 0.00 178.15 178.73 2dk9 h ALA 97 N 1.08 1.74 -0.21 1.87 0.00 -1.12 -2.22 119.26 120.40 2dk9 h ALA 97 Ca 0.21 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2dk9 h ALA 97 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2dk9 h ALA 97 CO -0.01 0.23 -0.11 -0.92 0.00 0.00 0.00 179.25 178.44 2dk9 h TYR 98 N 0.53 0.51 -0.34 0.00 3.20 -0.92 -3.00 116.97 116.96 2dk9 h TYR 98 Ca 0.16 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2dk9 h TYR 98 Cb -0.01 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2dk9 h TYR 98 CO -0.00 0.74 0.23 -0.07 -1.64 0.00 0.00 178.16 177.42 2dk9 h LEU 99 N 0.14 0.31 -1.33 2.82 3.38 -1.00 -1.23 115.31 118.39 2dk9 h LEU 99 Ca 0.04 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dk9 h LEU 99 Cb 0.61 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2dk9 h LEU 99 CO 0.03 0.21 0.45 0.28 0.09 0.00 0.00 178.44 179.51 2dk9 h SER 100 N 0.36 0.78 -0.08 -0.43 0.02 -1.27 -0.04 113.55 112.89 2dk9 h SER 100 Ca 0.14 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.87 2dk9 h SER 100 Cb 0.12 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.47 2dk9 h SER 100 CO -0.03 0.56 -0.72 0.45 -1.14 0.00 0.00 176.83 175.95 2dk9 h HIS 101 N 0.92 0.89 -0.59 3.45 3.86 -1.25 -2.91 115.15 119.52 2dk9 h HIS 101 Ca 0.25 -0.42 -0.05 0.00 -1.16 0.00 0.00 60.37 58.99 2dk9 h HIS 101 Cb -0.10 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 2dk9 h HIS 101 CO -0.00 1.24 0.18 0.74 0.86 0.00 0.00 177.93 180.95 2dk9 h PHE 102 N 0.29 0.91 -0.36 2.45 -1.00 -1.01 -2.58 116.94 115.63 2dk9 h PHE 102 Ca -0.07 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.61 2dk9 h PHE 102 Cb 1.38 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.65 2dk9 h PHE 102 CO 0.11 0.74 0.11 1.25 -1.61 0.00 0.00 178.31 178.91 2dk9 h HIS 103 N 0.86 0.59 -0.87 -0.55 2.76 -1.03 0.43 115.15 117.34 2dk9 h HIS 103 Ca 0.19 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2dk9 h HIS 103 Cb 0.26 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 2dk9 h HIS 103 CO 0.02 0.57 0.57 0.77 -1.30 0.00 0.00 177.93 178.55 2dk9 h SER 104 N 0.44 0.93 0.19 3.26 0.02 -1.29 0.34 113.55 117.43 2dk9 h SER 104 Ca 0.12 -0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.78 2dk9 h SER 104 Cb 0.26 -0.21 0.03 0.00 0.14 0.00 0.00 62.40 62.62 2dk9 h SER 104 CO -0.00 0.63 -1.19 0.00 -1.14 0.00 0.00 176.83 175.13 2dk9 h ALA 105 N 1.50 -0.11 -0.07 3.77 0.00 -1.21 -2.67 119.26 120.47 2dk9 h ALA 105 Ca 0.35 -0.78 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2dk9 h ALA 105 Cb 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dk9 h ALA 105 CO -0.11 0.57 -0.26 0.74 0.00 0.00 0.00 179.25 180.20 2dk9 h PHE 106 N -0.01 0.12 0.03 0.00 -1.00 0.20 -2.59 116.94 113.70 2dk9 h PHE 106 Ca -0.20 -0.02 -0.22 0.00 2.81 0.00 0.00 57.97 60.34 2dk9 h PHE 106 Cb 1.92 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 41.44 2dk9 h PHE 106 CO 0.15 0.37 -1.01 -0.22 -1.61 0.00 0.00 178.31 175.99 2dk9 h LYS 107 N 0.11 0.13 -1.06 1.51 3.64 -0.40 -3.25 116.57 117.24 2dk9 h LYS 107 Ca 0.02 -0.18 -0.58 0.00 -1.27 0.00 0.00 60.65 58.63 2dk9 h LYS 107 Cb 0.52 0.06 -0.27 0.00 -0.41 0.00 0.00 32.23 32.13 2dk9 h LYS 107 CO 0.04 1.03 0.75 0.45 -2.27 0.00 0.00 179.45 179.44 2dk9 n SER 108 N -3.51 6.35 0.00 4.20 2.88 -1.00 -5.09 113.62 117.45 2dk9 n SER 108 Ca -0.03 -3.62 0.00 0.00 -1.33 0.00 0.00 58.87 53.89 2dk9 n SER 108 Cb 0.91 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2dk9 n SER 108 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04