#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 -2.28 2.36 -5.12 0.00 -1.26 -5.14 105.19 93.76 2dk9 n GLY -7 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.36 -4.69 -1.07 1.61 -0.00 -1.26 -4.87 115.22 104.59 2dk9 n HIS -6 Ca 0.00 2.78 -0.21 0.00 -0.00 0.00 0.00 57.72 60.29 2dk9 n HIS -6 Cb 0.00 -3.83 0.18 0.00 -0.00 0.00 0.00 29.99 26.34 2dk9 n HIS -6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dk9 n HIS -5 N 1.77 2.84 -3.74 4.41 8.25 -1.26 -4.88 115.22 122.62 2dk9 n HIS -5 Ca -0.07 -1.72 -0.12 0.00 -0.26 0.00 0.00 57.72 55.55 2dk9 n HIS -5 Cb 0.11 -0.89 -0.11 0.00 1.12 0.00 0.00 29.99 30.22 2dk9 n HIS -5 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dk9 s HIS -4 N -3.07 -0.43 -0.13 4.41 0.09 -1.26 -5.13 115.29 109.77 2dk9 s HIS -4 Ca 0.53 1.02 -0.29 0.00 -0.00 0.00 0.00 55.06 56.32 2dk9 s HIS -4 Cb 0.45 0.15 -0.02 0.00 -0.00 0.00 0.00 32.58 33.16 2dk9 s HIS -4 CO 0.11 -0.23 1.24 -1.01 -0.00 0.00 0.00 174.74 174.85 2dk9 s HIS -3 N 0.55 2.96 0.33 1.40 0.09 -1.26 -5.01 115.29 114.35 2dk9 s HIS -3 Ca -0.03 1.07 -0.22 0.00 -0.00 0.00 0.00 55.06 55.89 2dk9 s HIS -3 Cb -0.04 -3.48 -0.10 0.00 -0.00 0.00 0.00 32.58 28.96 2dk9 s HIS -3 CO -0.03 -1.58 0.88 -1.01 -0.00 0.00 0.00 174.74 172.99 2dk9 s HIS -2 N 3.06 3.53 0.30 1.40 4.02 -1.26 -5.08 115.29 121.27 2dk9 s HIS -2 Ca 0.55 1.58 0.03 0.00 1.02 0.00 0.00 55.06 58.25 2dk9 s HIS -2 Cb -0.23 -2.79 -0.06 0.00 -1.02 0.00 0.00 32.58 28.48 2dk9 s HIS -2 CO 0.17 0.13 0.06 -1.01 1.02 0.00 0.00 174.74 175.11 2dk9 s HIS -1 N -1.81 1.84 -0.47 1.40 0.09 -1.26 -4.96 115.29 110.12 2dk9 s HIS -1 Ca 0.53 -1.01 -0.13 0.00 -0.00 0.00 0.00 55.06 54.45 2dk9 s HIS -1 Cb -0.14 -1.17 0.02 0.00 -0.00 0.00 0.00 32.58 31.29 2dk9 s HIS -1 CO 0.19 -0.08 0.60 -0.12 -0.00 0.00 0.00 174.74 175.33 2dk9 n MET 0 N -0.62 -2.13 -1.18 1.40 0.00 -1.26 -5.00 117.12 108.34 2dk9 n MET 0 Ca -0.02 1.97 0.01 0.00 -0.00 0.00 0.00 57.70 59.66 2dk9 n MET 0 Cb 0.66 -5.56 -0.00 0.00 0.00 0.00 0.00 33.22 28.32 2dk9 n MET 0 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dk9 n GLY 1 N -0.56 0.81 0.90 -5.12 0.00 -1.26 -4.83 105.19 95.14 2dk9 n GLY 1 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2dk9 n GLY 1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk9 n SER 2 N 0.28 0.82 0.05 1.61 3.41 -1.26 -4.65 113.62 113.89 2dk9 n SER 2 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.50 2dk9 n SER 2 Cb 0.94 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.95 2dk9 n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dk9 h ALA 3 N 0.00 0.68 0.00 7.33 0.00 -2.02 -3.14 119.26 122.10 2dk9 h ALA 3 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 2dk9 h ALA 3 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2dk9 h ALA 3 CO 0.00 0.75 -0.57 0.78 0.00 0.00 0.00 179.25 180.21 2dk9 h GLY 4 N 1.32 0.00 2.00 0.00 0.00 -1.88 -3.04 103.07 101.48 2dk9 h GLY 4 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2dk9 h GLY 4 CO 0.11 0.00 -0.19 -0.84 0.00 0.00 0.00 176.54 175.63 2dk9 h THR 5 N 0.00 0.85 -0.35 4.70 2.02 -1.81 -2.49 112.91 115.83 2dk9 h THR 5 Ca -0.01 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.48 2dk9 h THR 5 Cb 1.11 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 2dk9 h THR 5 CO 0.07 0.18 0.23 -0.61 0.37 0.00 0.00 175.52 175.77 2dk9 h GLN 6 N 0.00 0.35 -0.26 6.66 5.75 -1.58 -2.37 115.11 123.66 2dk9 h GLN 6 Ca -0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2dk9 h GLN 6 Cb 0.41 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 2dk9 h GLN 6 CO 0.02 0.23 0.12 1.49 -2.65 0.00 0.00 178.83 178.04 2dk9 h GLU 7 N 0.36 0.37 -0.11 1.69 4.81 -1.61 -1.11 114.58 118.98 2dk9 h GLU 7 Ca 0.14 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2dk9 h GLU 7 Cb 0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2dk9 h GLU 7 CO -0.03 0.39 -0.19 1.05 -0.73 0.00 0.00 179.01 179.50 2dk9 h GLU 8 N 0.27 0.18 -0.25 1.92 4.11 -1.57 -2.50 114.58 116.75 2dk9 h GLU 8 Ca 0.09 -0.05 -0.19 0.00 0.07 0.00 0.00 59.36 59.28 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 0.37 -0.61 1.25 0.07 0.00 0.00 179.01 180.09 2dk9 h LEU 9 N 0.17 0.96 -0.55 3.06 7.12 -1.13 -2.50 115.31 122.44 2dk9 h LEU 9 Ca 0.03 -0.54 -0.03 0.00 0.13 0.00 0.00 57.88 57.47 2dk9 h LEU 9 Cb 0.44 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 2dk9 h LEU 9 CO 0.03 1.34 0.21 0.25 -0.13 0.00 0.00 178.44 180.14 2dk9 h LEU 10 N 0.63 0.77 -0.79 2.25 6.46 -0.92 -2.27 115.31 121.44 2dk9 h LEU 10 Ca -0.00 -0.18 -0.09 0.00 -0.12 0.00 0.00 57.88 57.49 2dk9 h LEU 10 Cb 1.22 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 2dk9 h LEU 10 CO 0.13 0.74 -0.05 0.03 -0.62 0.00 0.00 178.44 178.68 2dk9 h ARG 11 N 0.75 0.86 -0.81 1.25 2.47 -1.47 -2.45 114.38 114.99 2dk9 h ARG 11 Ca 0.18 -0.27 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 2dk9 h ARG 11 Cb 0.22 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 2dk9 h ARG 11 CO -0.01 0.89 0.34 2.35 0.56 0.00 0.00 179.97 184.10 2dk9 h TRP 12 N 0.79 1.21 -0.27 3.04 7.01 -1.19 -0.34 115.95 126.20 2dk9 h TRP 12 Ca 0.14 -0.08 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 2dk9 h TRP 12 Cb 0.54 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 2dk9 h TRP 12 CO 0.03 0.90 -0.02 0.00 -2.79 0.00 0.00 178.44 176.56 2dk9 h GLN 14 N 0.26 0.95 -0.27 0.00 4.15 -1.26 0.52 115.11 119.47 2dk9 h GLN 14 Ca 0.07 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 2dk9 h GLN 14 Cb 0.46 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2dk9 h GLN 14 CO 0.02 0.87 -0.01 1.49 -1.93 0.00 0.00 178.83 179.27 2dk9 h GLU 15 N 0.90 0.48 -0.23 1.69 4.22 -0.95 -0.71 114.58 119.98 2dk9 h GLU 15 Ca 0.19 -0.16 -0.11 0.00 0.08 0.00 0.00 59.36 59.36 2dk9 h GLU 15 Cb 0.38 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2dk9 h GLU 15 CO 0.01 0.65 -0.32 0.37 -2.18 0.00 0.00 179.01 177.54 2dk9 h GLN 16 N 0.26 0.47 -0.23 1.92 5.75 -1.06 -2.47 115.11 119.75 2dk9 h GLN 16 Ca 0.08 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2dk9 h GLN 16 Cb 0.44 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2dk9 h GLN 16 CO 0.02 0.73 0.00 2.41 -2.65 0.00 0.00 178.83 179.34 2dk9 n THR 17 N -4.08 0.31 -2.80 2.39 -1.04 0.16 -4.64 114.28 104.57 2dk9 n THR 17 Ca -0.01 -0.36 -0.34 0.00 -2.04 0.00 0.00 64.05 61.30 2dk9 n THR 17 Cb 0.45 0.24 -0.07 0.00 -1.82 0.00 0.00 70.33 69.13 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 -1.69 3.08 0.00 2.41 0.00 -0.29 -4.12 121.76 121.16 2dk9 s ALA 18 Ca 0.25 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2dk9 s ALA 18 Cb 0.13 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2dk9 s ALA 18 CO 0.19 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.49 2dk9 n GLY 19 N -0.31 0.91 3.65 0.00 0.00 -1.26 -5.04 105.19 103.15 2dk9 n GLY 19 Ca 0.06 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.22 3.35 -0.14 1.61 1.51 -1.26 -5.02 117.35 116.18 2dk9 s TYR 20 Ca 0.00 1.11 -0.29 0.00 -1.01 0.00 0.00 57.07 56.88 2dk9 s TYR 20 Cb 0.00 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 2dk9 s TYR 20 CO 0.00 -0.31 1.28 -1.25 -1.11 0.00 0.00 175.55 174.16 2dk9 s PRO 21 N 2.47 4.24 0.00 -1.71 0.04 -1.26 -3.10 135.00 135.68 2dk9 s PRO 21 Ca 0.34 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2dk9 s PRO 21 Cb -0.16 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2dk9 s PRO 21 CO 0.09 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2dk9 n GLY 22 N 3.62 2.28 3.66 0.56 0.00 -1.26 -5.05 105.19 109.00 2dk9 n GLY 22 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.37 4.55 -0.10 1.61 1.01 -1.18 -5.03 120.40 118.90 2dk9 s VAL 23 Ca 0.00 1.87 -0.03 0.00 0.00 0.00 0.00 61.98 63.82 2dk9 s VAL 23 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2dk9 s VAL 23 CO 0.00 -0.15 0.04 -1.00 0.00 0.00 0.00 175.10 173.99 2dk9 s HIS 24 N 3.19 3.27 -0.47 5.22 3.76 -1.26 -4.90 115.29 124.09 2dk9 s HIS 24 Ca 0.48 0.27 0.03 0.00 -0.15 0.00 0.00 55.06 55.69 2dk9 s HIS 24 Cb -0.17 -1.83 0.14 0.00 1.11 0.00 0.00 32.58 31.82 2dk9 s HIS 24 CO 0.10 0.53 0.26 0.08 -0.85 0.00 0.00 174.74 174.86 2dk9 s VAL 25 N -0.89 1.75 0.00 -0.90 1.01 -1.26 -4.84 120.40 115.28 2dk9 s VAL 25 Ca 0.13 -2.85 0.02 0.00 0.00 0.00 0.00 61.98 59.28 2dk9 s VAL 25 Cb -0.12 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.07 2dk9 s VAL 25 CO 0.03 -0.89 0.75 -1.20 0.00 0.00 0.00 175.10 173.79 2dk9 n SER 26 N 3.32 -0.04 -3.87 3.32 7.64 -1.26 -4.64 113.62 118.08 2dk9 n SER 26 Ca 0.09 -1.48 -0.15 0.00 1.01 0.00 0.00 58.87 58.34 2dk9 n SER 26 Cb 0.34 -0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.54 0.30 -0.52 6.43 1.01 -1.26 -5.04 116.67 117.05 2dk9 s ASP 27 Ca 0.02 -0.03 -0.01 0.00 0.71 0.00 0.00 52.55 53.24 2dk9 s ASP 27 Cb 0.02 -0.09 0.41 0.00 1.01 0.00 0.00 42.92 44.28 2dk9 s ASP 27 CO -0.01 -0.02 1.98 0.18 0.21 0.00 0.00 175.17 177.51 2dk9 n LEU 28 N 3.41 7.07 0.00 1.23 7.99 -1.26 -4.04 117.00 131.40 2dk9 n LEU 28 Ca -0.18 -3.82 0.00 0.00 -0.01 0.00 0.00 56.01 52.00 2dk9 n LEU 28 Cb 0.56 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 2dk9 n LEU 28 CO 0.25 1.30 0.00 -1.20 -1.51 0.00 0.00 177.39 176.23 2dk9 n SER 29 N -0.59 0.00 -0.30 -1.43 7.64 -1.26 -4.94 113.62 112.74 2dk9 n SER 29 Ca 0.52 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.39 2dk9 n SER 29 Cb 0.81 0.32 0.12 0.00 -1.01 0.00 0.00 64.21 64.45 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 0.82 -0.19 6.43 0.87 -1.91 -0.92 113.55 118.66 2dk9 h SER 30 Ca 0.00 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2dk9 h SER 30 Cb 0.00 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2dk9 h SER 30 CO 0.00 0.55 0.25 -1.28 -0.53 0.00 0.00 176.83 175.82 2dk9 h SER 31 N 0.96 0.00 -0.15 6.23 0.87 -1.91 0.33 113.55 119.88 2dk9 h SER 31 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2dk9 h SER 31 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2dk9 h SER 31 CO -0.15 0.00 0.00 0.79 -0.53 0.00 0.00 176.83 176.94 2dk9 n TRP 32 N -3.60 0.17 0.27 2.24 7.02 -0.37 -3.87 117.44 119.31 2dk9 n TRP 32 Ca 0.02 -0.09 -0.18 0.00 -1.02 0.00 0.00 57.50 56.23 2dk9 n TRP 32 Cb 0.37 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.16 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 4.60 -1.11 0.00 6.99 0.00 -0.09 -1.84 119.26 127.81 2dk9 h ALA 33 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dk9 h ALA 33 Cb 0.94 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2dk9 h ALA 33 CO 0.00 -1.17 0.00 -0.40 0.00 0.00 0.00 179.25 177.68 2dk9 n ASP 34 N -5.55 0.00 -0.43 0.00 5.68 -1.26 -4.60 116.55 110.39 2dk9 n ASP 34 Ca -0.12 -0.54 -0.04 0.00 -0.50 0.00 0.00 54.79 53.59 2dk9 n ASP 34 Cb 0.46 -0.15 -0.01 0.00 -1.14 0.00 0.00 41.12 40.28 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 1.10 0.36 0.26 6.12 0.00 -0.69 -4.51 105.19 107.82 2dk9 n GLY 35 Ca 0.19 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.90 -0.28 0.99 -0.00 -1.82 -1.13 115.31 113.97 2dk9 h LEU 36 Ca -0.09 -0.37 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2dk9 h LEU 36 Cb 0.82 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 2dk9 h LEU 36 CO 0.12 1.06 0.19 0.00 -0.00 0.00 0.00 178.44 179.81 2dk9 h ALA 37 N 0.86 0.35 -0.22 1.53 0.00 -1.91 0.26 119.26 120.12 2dk9 h ALA 37 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2dk9 h ALA 37 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dk9 h ALA 37 CO 0.05 -0.18 -0.04 -0.07 0.00 0.00 0.00 179.25 179.02 2dk9 h LEU 38 N 0.38 0.42 -0.39 0.00 3.38 -1.91 -2.57 115.31 114.63 2dk9 h LEU 38 Ca 0.10 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2dk9 h LEU 38 Cb -0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2dk9 h LEU 38 CO -0.02 0.67 0.21 0.00 0.09 0.00 0.00 178.44 179.39 2dk9 h ALA 40 N 1.07 1.12 0.23 0.00 0.00 -0.47 0.14 119.26 121.35 2dk9 h ALA 40 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dk9 h ALA 40 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2dk9 h ALA 40 CO -0.02 0.18 -0.11 -0.07 0.00 0.00 0.00 179.25 179.23 2dk9 h LEU 41 N 0.86 -0.26 -0.06 0.00 3.38 -1.17 -0.52 115.31 117.55 2dk9 h LEU 41 Ca 0.36 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2dk9 h LEU 41 Cb 0.22 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dk9 h LEU 41 CO -0.19 -0.11 0.03 0.58 0.09 0.00 0.00 178.44 178.84 2dk9 h VAL 42 N -0.39 1.08 -0.87 1.22 2.07 -1.11 -2.49 116.25 115.76 2dk9 h VAL 42 Ca -0.03 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.36 2dk9 h VAL 42 Cb 0.30 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2dk9 h VAL 42 CO 0.05 0.06 0.56 0.22 0.02 0.00 0.00 177.57 178.49 2dk9 h TYR 43 N 0.01 0.94 -0.64 1.57 3.20 -0.69 0.77 116.97 122.12 2dk9 h TYR 43 Ca 0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2dk9 h TYR 43 Cb 0.08 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 2dk9 h TYR 43 CO -0.05 0.45 0.28 0.00 -1.64 0.00 0.00 178.16 177.21 2dk9 h ARG 44 N 0.89 0.94 0.18 1.82 3.08 -0.75 0.84 114.38 121.39 2dk9 h ARG 44 Ca 0.39 -0.15 -0.31 0.00 0.07 0.00 0.00 59.98 59.98 2dk9 h ARG 44 Cb 0.35 -0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.25 2dk9 h ARG 44 CO -0.16 0.77 -1.39 -0.07 -1.07 0.00 0.00 179.97 178.05 2dk9 h LEU 45 N 0.89 0.60 -6.11 3.04 4.07 -0.88 -3.40 115.31 113.52 2dk9 h LEU 45 Ca 0.22 -0.67 -0.57 0.00 0.08 0.00 0.00 57.88 56.93 2dk9 h LEU 45 Cb 0.16 -0.20 -0.39 0.00 1.08 0.00 0.00 40.66 41.32 2dk9 h LEU 45 CO -0.02 1.53 -1.06 0.00 -1.08 0.00 0.00 178.44 177.81 2dk9 n GLN 46 N -3.60 0.61 0.20 1.13 1.13 0.26 -4.95 117.38 112.15 2dk9 n GLN 46 Ca -0.13 -3.24 0.06 0.00 -1.94 0.00 0.00 57.00 51.75 2dk9 n GLN 46 Cb 1.06 -1.36 0.36 0.00 0.11 0.00 0.00 30.24 30.42 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 4.46 0.00 -0.29 -1.09 0.13 0.56 -3.13 132.00 132.63 2dk9 h PRO 47 Ca 0.13 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 2dk9 h PRO 47 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2dk9 h PRO 47 CO 0.44 0.34 -0.40 0.78 -0.23 0.00 0.00 178.00 178.94 2dk9 h GLY 48 N 2.04 0.76 -3.68 1.56 0.00 -1.93 -3.09 103.07 98.74 2dk9 h GLY 48 Ca -0.00 -0.77 -0.46 0.00 0.00 0.00 0.00 47.33 46.09 2dk9 h GLY 48 CO 0.04 0.70 0.54 1.04 0.00 0.00 0.00 176.54 178.86 2dk9 n LEU 49 N -4.04 6.32 -4.16 3.11 4.77 -1.20 -4.95 117.00 116.84 2dk9 n LEU 49 Ca -0.02 -3.64 -0.10 0.00 -0.03 0.00 0.00 56.01 52.21 2dk9 n LEU 49 Cb 0.53 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 2dk9 n LEU 49 CO 0.46 1.09 -0.28 -0.76 -1.33 0.00 0.00 177.39 176.57 2dk9 s LEU 50 N -3.29 1.59 -0.44 2.23 2.01 -1.17 -5.06 118.68 114.54 2dk9 s LEU 50 Ca 0.55 -1.26 0.07 0.00 0.01 0.00 0.00 54.13 53.50 2dk9 s LEU 50 Cb 0.47 0.32 0.31 0.00 0.01 0.00 0.00 46.19 47.31 2dk9 s LEU 50 CO 0.09 -0.76 0.99 -0.62 1.01 0.00 0.00 176.35 177.06 2dk9 n GLU 51 N -0.15 0.97 -0.14 1.70 -0.58 -1.26 -4.93 120.64 116.25 2dk9 n GLU 51 Ca -0.03 -2.24 0.04 0.00 -0.42 0.00 0.00 57.16 54.51 2dk9 n GLU 51 Cb 0.64 -1.22 0.35 0.00 -0.57 0.00 0.00 31.44 30.64 2dk9 n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dk9 h PRO 52 N 3.16 0.75 -0.85 3.49 0.13 -1.95 -2.21 132.00 134.50 2dk9 h PRO 52 Ca -0.06 -0.04 0.14 0.00 -0.87 0.00 0.00 66.00 65.16 2dk9 h PRO 52 Cb 1.06 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.96 2dk9 h PRO 52 CO 0.24 0.49 0.56 1.03 -0.23 0.00 0.00 178.00 180.09 2dk9 h SER 53 N 0.77 0.60 0.02 1.44 0.87 -1.98 1.00 113.55 116.27 2dk9 h SER 53 Ca 0.26 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2dk9 h SER 53 Cb 0.09 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2dk9 h SER 53 CO -0.07 0.31 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.45 2dk9 h GLU 54 N 0.64 -0.02 0.00 2.24 4.81 -1.83 -3.23 114.58 117.19 2dk9 h GLU 54 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2dk9 h GLU 54 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2dk9 h GLU 54 CO -0.18 0.55 0.00 1.28 -0.73 0.00 0.00 179.01 179.93 2dk9 n LEU 55 N -4.82 0.00 -0.09 1.64 4.77 -0.91 -2.69 117.00 114.89 2dk9 n LEU 55 Ca -0.09 0.48 0.02 0.00 -0.03 0.00 0.00 56.01 56.40 2dk9 n LEU 55 Cb 0.29 -0.48 0.34 0.00 -2.33 0.00 0.00 43.42 41.23 2dk9 n LEU 55 CO 0.33 -0.02 1.17 -0.61 -1.33 0.00 0.00 177.39 176.93 2dk9 h GLN 56 N 0.00 0.73 0.00 3.23 4.15 0.10 -3.25 115.11 120.07 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 0.46 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2dk9 h GLN 56 CO 0.00 0.51 0.00 0.41 -1.93 0.00 0.00 178.83 177.82 2dk9 n GLY 57 N -1.39 0.71 0.16 2.39 0.00 -1.24 -4.69 105.19 101.13 2dk9 n GLY 57 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.56 -3.47 115.31 115.34 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 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2dk9 h LEU 58 CO 0.00 0.53 0.00 0.61 -1.08 0.00 0.00 178.44 178.50 2dk9 n GLY 59 N 0.23 2.54 0.12 0.83 0.00 -1.23 -4.98 105.19 102.70 2dk9 n GLY 59 Ca -0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.19 -0.77 4.61 0.00 -1.81 -2.55 119.26 118.55 2dk9 h ALA 60 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2dk9 h ALA 60 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2dk9 h ALA 60 CO 0.00 -0.20 0.51 -0.07 0.00 0.00 0.00 179.25 179.49 2dk9 h LEU 61 N -1.00 0.87 -0.25 0.00 4.07 -1.89 -0.76 115.31 116.36 2dk9 h LEU 61 Ca -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 2dk9 h LEU 61 Cb 0.37 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2dk9 h LEU 61 CO 0.03 0.62 0.08 -0.08 -1.08 0.00 0.00 178.44 178.02 2dk9 h GLU 62 N 1.02 0.38 -0.59 1.13 4.81 -1.94 0.23 114.58 119.62 2dk9 h GLU 62 Ca 0.29 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2dk9 h GLU 62 Cb -0.07 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2dk9 h GLU 62 CO -0.07 0.45 0.19 0.00 -0.73 0.00 0.00 179.01 178.84 2dk9 h ALA 63 N 0.91 0.77 0.03 2.92 0.00 -1.00 -0.06 119.26 122.83 2dk9 h ALA 63 Ca 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dk9 h ALA 63 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dk9 h ALA 63 CO -0.00 0.44 -0.01 1.79 0.00 0.00 0.00 179.25 181.46 2dk9 h THR 64 N 0.84 1.14 -0.62 0.00 1.35 -1.03 0.22 112.91 114.81 2dk9 h THR 64 Ca 0.19 -0.52 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2dk9 h THR 64 Cb 0.28 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 2dk9 h THR 64 CO -0.01 0.13 0.38 0.00 -0.25 0.00 0.00 175.52 175.78 2dk9 h ALA 65 N 0.71 0.79 -0.06 6.62 0.00 -0.88 0.39 119.26 126.83 2dk9 h ALA 65 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2dk9 h ALA 65 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dk9 h ALA 65 CO 0.01 0.26 -0.01 2.35 0.00 0.00 0.00 179.25 181.86 2dk9 h TRP 66 N 0.84 0.13 -0.68 0.00 7.01 -0.94 -1.21 115.95 121.10 2dk9 h TRP 66 Ca 0.22 -0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.14 2dk9 h TRP 66 Cb -0.04 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 2dk9 h TRP 66 CO -0.02 0.42 0.20 0.00 -2.79 0.00 0.00 178.44 176.25 2dk9 h ALA 67 N 0.69 1.07 -0.27 2.65 0.00 -0.41 -0.63 119.26 122.36 2dk9 h ALA 67 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2dk9 h ALA 67 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2dk9 h ALA 67 CO 0.00 0.63 0.04 1.25 0.00 0.00 0.00 179.25 181.17 2dk9 h LEU 68 N 1.01 0.43 -0.11 0.00 5.85 -0.18 0.55 115.31 122.86 2dk9 h LEU 68 Ca 0.22 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2dk9 h LEU 68 Cb 0.30 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2dk9 h LEU 68 CO -0.01 0.59 0.02 0.50 -0.34 0.00 0.00 178.44 179.20 2dk9 h LYS 69 N 0.25 0.18 -0.40 1.25 3.64 -1.06 -2.46 116.57 117.98 2dk9 h LYS 69 Ca 0.08 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 2dk9 h LYS 69 Cb 0.35 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2dk9 h LYS 69 CO 0.01 0.38 -0.28 -0.39 -2.27 0.00 0.00 179.45 176.90 2dk9 h VAL 70 N -0.05 1.27 -0.51 2.00 -1.51 -1.11 -1.74 116.25 114.61 2dk9 h VAL 70 Ca 0.03 -1.43 0.06 0.00 -1.23 0.00 0.00 66.70 64.13 2dk9 h VAL 70 Cb 0.29 1.27 -0.06 0.00 -2.13 0.00 0.00 31.29 30.66 2dk9 h VAL 70 CO 0.00 0.48 0.21 0.00 -1.23 0.00 0.00 177.57 177.03 2dk9 h ALA 71 N 0.95 0.64 -0.27 5.19 0.00 0.18 0.91 119.26 126.85 2dk9 h ALA 71 Ca 0.08 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2dk9 h ALA 71 Cb 0.83 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 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 0.70 -0.36 0.00 4.11 -1.37 0.46 114.58 118.52 2dk9 h GLU 72 Ca 0.24 -0.38 -0.13 0.00 0.07 0.00 0.00 59.36 59.16 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 1.00 -0.27 -0.97 0.07 0.00 0.00 179.01 178.61 2dk9 h ASN 73 N 0.56 0.86 0.18 3.06 -1.24 -0.39 0.44 115.58 119.06 2dk9 h ASN 73 Ca 0.04 -0.44 -0.26 0.00 0.71 0.00 0.00 56.30 56.34 2dk9 h ASN 73 Cb 0.99 -0.24 0.02 0.00 0.73 0.00 0.00 38.32 39.83 2dk9 h ASN 73 CO 0.09 1.11 -1.20 -0.33 -1.29 0.00 0.00 177.43 175.82 2dk9 h GLU 74 N 0.60 0.39 0.00 6.67 4.39 0.83 -3.41 114.58 124.06 2dk9 h GLU 74 Ca 0.07 -0.67 -0.15 0.00 0.34 0.00 0.00 59.36 58.95 2dk9 h GLU 74 Cb 0.84 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 2dk9 h GLU 74 CO 0.07 1.32 -1.31 -0.11 -1.16 0.00 0.00 179.01 177.82 2dk9 n LEU 75 N -3.92 1.90 0.00 1.33 0.00 0.16 -5.05 117.00 111.43 2dk9 n LEU 75 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 56.01 56.25 2dk9 n LEU 75 Cb 0.96 -0.82 0.00 0.00 0.00 0.00 0.00 43.42 43.56 2dk9 n LEU 75 CO 0.52 -0.03 0.00 0.61 0.00 0.00 0.00 177.39 178.49 2dk9 n GLY 76 N 1.44 1.99 3.71 -3.96 0.00 0.16 -4.99 105.19 103.54 2dk9 n GLY 76 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2dk9 n GLY 76 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dk9 s ILE 77 N -2.00 5.28 -0.02 -0.61 2.07 -1.26 -4.99 121.20 119.68 2dk9 s ILE 77 Ca 0.00 0.58 -0.30 0.00 -1.41 0.00 0.00 60.65 59.52 2dk9 s ILE 77 Cb 0.00 -3.65 -0.04 0.00 0.13 0.00 0.00 42.46 38.89 2dk9 s ILE 77 CO 0.00 0.35 1.25 -0.89 -1.91 0.00 0.00 174.94 173.74 2dk9 s THR 78 N 0.70 4.08 0.28 4.00 2.01 -1.26 -4.40 115.64 121.05 2dk9 s THR 78 Ca 0.17 1.44 -0.30 0.00 0.31 0.00 0.00 61.69 63.31 2dk9 s THR 78 Cb -0.13 -3.93 -0.13 0.00 0.01 0.00 0.00 72.50 68.32 2dk9 s THR 78 CO 0.05 0.02 1.30 -2.65 -0.69 0.00 0.00 174.62 172.65 2dk9 n PRO 79 N 4.99 1.94 -0.00 4.92 -0.02 -1.26 -4.92 135.00 140.65 2dk9 n PRO 79 Ca 0.11 0.69 0.04 0.00 -2.02 0.00 0.00 63.50 62.31 2dk9 n PRO 79 Cb 0.46 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 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 1.13 0.00 -4.06 -1.45 0.31 -1.26 -5.04 118.33 107.95 2dk9 n VAL 80 Ca 0.09 -0.17 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 2dk9 n VAL 80 Cb 0.33 0.37 -0.10 0.00 -0.91 0.00 0.00 33.84 33.52 2dk9 n VAL 80 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dk9 s VAL 81 N -2.45 0.24 0.50 2.52 1.01 -1.26 -4.95 120.40 116.01 2dk9 s VAL 81 Ca -0.02 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 2dk9 s VAL 81 Cb 0.05 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2dk9 s VAL 81 CO 0.30 -0.81 0.81 -0.44 0.00 0.00 0.00 175.10 174.96 2dk9 s SER 82 N -2.43 6.14 0.15 3.32 0.01 -1.26 -4.98 113.70 114.64 2dk9 s SER 82 Ca -0.00 0.90 -0.13 0.00 1.31 0.00 0.00 55.95 58.03 2dk9 s SER 82 Cb 0.02 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 64.12 2dk9 s SER 82 CO -0.06 -0.67 1.64 0.00 0.41 0.00 0.00 173.24 174.55 2dk9 h ALA 83 N 0.14 0.66 -0.46 1.44 0.00 -1.95 -2.47 119.26 116.62 2dk9 h ALA 83 Ca -0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2dk9 h ALA 83 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2dk9 h ALA 83 CO 0.61 0.38 0.25 0.37 0.00 0.00 0.00 179.25 180.87 2dk9 h GLN 84 N 0.69 0.62 -0.16 0.00 4.15 -1.96 0.16 115.11 118.61 2dk9 h GLN 84 Ca 0.15 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 2dk9 h GLN 84 Cb 0.38 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 2dk9 h GLN 84 CO 0.01 0.45 -0.08 0.00 -1.93 0.00 0.00 178.83 177.28 2dk9 h ALA 85 N 1.65 0.23 -0.17 3.38 0.00 -1.89 -1.50 119.26 120.96 2dk9 h ALA 85 Ca 0.16 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2dk9 h ALA 85 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2dk9 h ALA 85 CO -0.03 0.04 -0.21 -0.39 0.00 0.00 0.00 179.25 178.66 2dk9 h VAL 86 N 0.01 1.34 -0.27 0.00 -1.51 -1.14 -1.74 116.25 112.94 2dk9 h VAL 86 Ca 0.04 -1.41 -0.02 0.00 -1.23 0.00 0.00 66.70 64.08 2dk9 h VAL 86 Cb 0.56 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 2dk9 h VAL 86 CO 0.02 0.42 0.08 0.58 -1.23 0.00 0.00 177.57 177.44 2dk9 h VAL 87 N 0.09 1.13 0.00 7.19 2.07 -0.76 -1.36 116.25 124.62 2dk9 h VAL 87 Ca 0.02 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2dk9 h VAL 87 Cb 0.77 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2dk9 h VAL 87 CO 0.05 0.15 -0.27 0.00 0.02 0.00 0.00 177.57 177.52 2dk9 n ALA 88 N -2.49 2.66 -2.17 1.67 0.00 -0.56 -4.54 120.51 115.07 2dk9 n ALA 88 Ca 0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.13 2dk9 n ALA 88 Cb 0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 0.06 1.99 0.00 0.00 -0.51 -4.85 105.19 103.25 2dk9 n GLY 89 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.66 5.35 -2.95 1.61 7.64 -1.16 -4.65 113.62 117.80 2dk9 n SER 90 Ca -0.19 -3.76 -0.14 0.00 1.01 0.00 0.00 58.87 55.79 2dk9 n SER 90 Cb 0.63 -0.72 0.02 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.94 -1.10 -0.29 6.43 9.92 -1.26 -4.99 116.55 124.33 2dk9 n ASP 91 Ca 0.51 -3.25 0.05 0.00 -0.53 0.00 0.00 54.79 51.57 2dk9 n ASP 91 Cb 0.95 0.73 0.19 0.00 -0.64 0.00 0.00 41.12 42.35 2dk9 n ASP 91 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 2dk9 h PRO 92 N 3.36 0.65 -0.65 -0.24 0.11 -1.92 0.13 132.00 133.45 2dk9 h PRO 92 Ca -0.02 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 2dk9 h PRO 92 Cb 1.01 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 2dk9 h PRO 92 CO 0.33 0.43 0.15 1.25 -0.21 0.00 0.00 178.00 179.95 2dk9 h LEU 93 N 0.67 0.99 -0.49 2.35 5.85 -2.00 -2.53 115.31 120.16 2dk9 h LEU 93 Ca 0.42 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 2dk9 h LEU 93 Cb 0.52 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2dk9 h LEU 93 CO -0.31 0.98 -0.18 1.23 -0.34 0.00 0.00 178.44 179.81 2dk9 h GLY 94 N 0.96 1.07 1.00 3.75 0.00 -1.69 -2.08 103.07 106.09 2dk9 h GLY 94 Ca 0.20 -0.93 0.01 0.00 0.00 0.00 0.00 47.33 46.61 2dk9 h GLY 94 CO 0.00 0.84 0.49 -2.00 0.00 0.00 0.00 176.54 175.88 2dk9 h LEU 95 N 0.84 0.84 -0.46 3.11 5.85 -0.88 -1.09 115.31 123.53 2dk9 h LEU 95 Ca 0.12 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 2dk9 h LEU 95 Cb 0.76 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2dk9 h LEU 95 CO 0.06 0.61 -0.14 0.40 -0.34 0.00 0.00 178.44 179.03 2dk9 h ILE 96 N 1.00 1.27 -0.57 4.05 2.04 -1.38 -1.19 117.51 122.73 2dk9 h ILE 96 Ca 0.27 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2dk9 h ILE 96 Cb -0.11 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2dk9 h ILE 96 CO -0.06 0.44 0.33 0.00 0.00 0.00 0.00 178.15 178.86 2dk9 h ALA 97 N 0.87 0.73 -0.31 1.87 0.00 -0.99 -1.41 119.26 120.02 2dk9 h ALA 97 Ca 0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2dk9 h ALA 97 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2dk9 h ALA 97 CO 0.05 0.22 -0.18 -0.92 0.00 0.00 0.00 179.25 178.43 2dk9 h TYR 98 N 0.77 0.77 -0.35 0.00 3.20 -1.14 -2.96 116.97 117.26 2dk9 h TYR 98 Ca 0.20 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2dk9 h TYR 98 Cb 0.00 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2dk9 h TYR 98 CO -0.02 0.90 0.23 -0.07 -1.64 0.00 0.00 178.16 177.56 2dk9 h LEU 99 N 0.42 0.34 -0.84 2.82 3.38 -1.00 -1.41 115.31 119.01 2dk9 h LEU 99 Ca 0.06 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2dk9 h LEU 99 Cb 0.71 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2dk9 h LEU 99 CO 0.05 0.24 -0.09 0.28 0.09 0.00 0.00 178.44 179.00 2dk9 h SER 100 N 0.39 0.75 -0.18 -0.43 0.02 -1.10 0.84 113.55 113.86 2dk9 h SER 100 Ca 0.14 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 2dk9 h SER 100 Cb 0.07 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2dk9 h SER 100 CO -0.03 0.88 -0.18 -0.74 -1.14 0.00 0.00 176.83 175.61 2dk9 h HIS 101 N 0.70 0.52 -0.33 3.45 2.76 -1.18 -2.28 115.15 118.79 2dk9 h HIS 101 Ca 0.12 -0.16 -0.12 0.00 -2.20 0.00 0.00 60.37 58.02 2dk9 h HIS 101 Cb 0.56 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2dk9 h HIS 101 CO 0.03 0.81 -0.28 0.74 -1.30 0.00 0.00 177.93 177.93 2dk9 h PHE 102 N 0.09 0.77 0.11 5.26 -1.00 -1.30 -1.42 116.94 119.44 2dk9 h PHE 102 Ca 0.03 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 60.62 2dk9 h PHE 102 Cb 0.72 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.11 2dk9 h PHE 102 CO 0.08 0.87 -0.05 1.25 -1.61 0.00 0.00 178.31 178.86 2dk9 h HIS 103 N 0.58 -0.13 -0.45 -0.55 2.76 -0.81 0.39 115.15 116.92 2dk9 h HIS 103 Ca 0.07 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 2dk9 h HIS 103 Cb 0.77 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 2dk9 h HIS 103 CO 0.04 0.04 0.12 0.66 -1.30 0.00 0.00 177.93 177.49 2dk9 h SER 104 N -0.29 0.68 -0.36 3.26 4.64 -1.39 -0.68 113.55 119.41 2dk9 h SER 104 Ca -0.01 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 2dk9 h SER 104 Cb 0.24 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2dk9 h SER 104 CO 0.02 0.73 0.01 0.00 -0.87 0.00 0.00 176.83 176.72 2dk9 h ALA 105 N 0.98 0.48 -0.02 5.18 0.00 -1.19 -2.33 119.26 122.37 2dk9 h ALA 105 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2dk9 h ALA 105 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dk9 h ALA 105 CO -0.00 0.24 -0.29 0.74 0.00 0.00 0.00 179.25 179.94 2dk9 h PHE 106 N 0.45 0.03 0.00 0.00 -1.00 -0.13 -2.40 116.94 113.89 2dk9 h PHE 106 Ca 0.10 -0.01 -0.12 0.00 2.81 0.00 0.00 57.97 60.76 2dk9 h PHE 106 Cb 0.44 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 2dk9 h PHE 106 CO 0.03 0.31 -0.57 -0.22 -1.61 0.00 0.00 178.31 176.25 2dk9 h LYS 107 N 0.03 0.00 -1.11 1.51 3.64 -0.88 -3.11 116.57 116.64 2dk9 h LYS 107 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2dk9 h LYS 107 Cb 0.52 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.09 2dk9 h LYS 107 CO 0.04 0.57 0.71 0.43 -2.27 0.00 0.00 179.45 178.94 2dk9 n SER 108 N -3.68 6.58 -0.23 4.20 7.64 -0.90 -5.09 113.62 122.14 2dk9 n SER 108 Ca -0.01 -3.55 0.03 0.00 1.01 0.00 0.00 58.87 56.36 2dk9 n SER 108 Cb 0.61 -0.96 0.02 0.00 -1.01 0.00 0.00 64.21 62.88 2dk9 n SER 108 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83