#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 0.53 2.44 3.03 0.00 -1.26 -3.78 105.19 106.15 2dk9 n GLY -7 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.74 -0.82 -2.69 1.61 8.25 -1.26 -3.99 115.22 114.58 2dk9 n HIS -6 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 2dk9 n HIS -6 Cb 0.52 -3.86 -0.03 0.00 1.12 0.00 0.00 29.99 27.74 2dk9 n HIS -6 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2dk9 n HIS -5 N -3.68 -3.94 -3.95 4.41 -0.00 -1.25 -5.07 115.22 101.74 2dk9 n HIS -5 Ca -0.24 2.15 -0.08 0.00 -0.00 0.00 0.00 57.72 59.55 2dk9 n HIS -5 Cb 0.69 -3.66 -0.04 0.00 -0.00 0.00 0.00 29.99 26.98 2dk9 n HIS -5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2dk9 s HIS -4 N -0.87 0.18 -1.73 1.57 0.00 -1.25 -4.93 115.29 108.26 2dk9 s HIS -4 Ca -0.19 -0.58 -0.01 0.00 -3.00 0.00 0.00 55.06 51.28 2dk9 s HIS -4 Cb 0.01 0.38 0.00 0.00 -4.00 0.00 0.00 32.58 28.97 2dk9 s HIS -4 CO 0.72 -1.09 0.14 0.72 -1.00 0.00 0.00 174.74 174.22 2dk9 n HIS -3 N -0.42 -1.22 -4.44 0.38 -0.00 -1.26 -4.72 115.22 103.55 2dk9 n HIS -3 Ca -0.02 0.12 -0.23 0.00 -0.00 0.00 0.00 57.72 57.59 2dk9 n HIS -3 Cb 0.61 -4.10 -0.16 0.00 -0.00 0.00 0.00 29.99 26.33 2dk9 n HIS -3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dk9 s HIS -2 N -3.07 1.18 -0.44 4.41 0.09 -1.26 -5.08 115.29 111.11 2dk9 s HIS -2 Ca 0.07 -0.40 0.06 0.00 -0.00 0.00 0.00 55.06 54.79 2dk9 s HIS -2 Cb -0.03 -0.91 0.18 0.00 -0.00 0.00 0.00 32.58 31.82 2dk9 s HIS -2 CO 0.09 -0.23 0.59 -1.58 -0.00 0.00 0.00 174.74 173.60 2dk9 s HIS -1 N 0.71 -1.16 -0.06 1.40 5.65 -1.26 -5.07 115.29 115.49 2dk9 s HIS -1 Ca -0.13 -0.48 -0.05 0.00 0.25 0.00 0.00 55.06 54.65 2dk9 s HIS -1 Cb -0.15 0.07 0.02 0.00 -1.18 0.00 0.00 32.58 31.34 2dk9 s HIS -1 CO 0.02 -1.14 0.10 -1.33 -0.65 0.00 0.00 174.74 171.74 2dk9 n MET 0 N 3.72 -5.02 -0.07 2.88 2.00 -1.26 -4.87 117.12 114.50 2dk9 n MET 0 Ca 0.15 3.69 -0.11 0.00 0.00 0.00 0.00 57.70 61.43 2dk9 n MET 0 Cb 0.54 -4.90 -0.04 0.00 0.00 0.00 0.00 33.22 28.82 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 1.81 -0.40 0.13 3.03 0.00 -1.26 -4.02 105.19 104.47 2dk9 n GLY 1 Ca -0.17 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2dk9 n GLY 1 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dk9 h SER 2 N -0.76 0.53 1.00 1.61 4.64 -2.00 -3.09 113.55 115.47 2dk9 h SER 2 Ca -0.15 -0.92 -0.14 0.00 -0.47 0.00 0.00 61.79 60.11 2dk9 h SER 2 Cb 0.96 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 2dk9 h SER 2 CO -0.09 1.54 -0.66 0.00 -0.87 0.00 0.00 176.83 176.75 2dk9 h ALA 3 N 0.06 0.70 0.00 5.18 0.00 -1.99 -3.20 119.26 120.02 2dk9 h ALA 3 Ca -0.22 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 2dk9 h ALA 3 Cb 1.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2dk9 h ALA 3 CO 0.16 0.83 -0.51 0.78 0.00 0.00 0.00 179.25 180.50 2dk9 h GLY 4 N 2.67 0.00 0.59 0.00 0.00 -1.70 -2.92 103.07 101.71 2dk9 h GLY 4 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2dk9 h GLY 4 CO 0.09 0.00 -0.05 -0.84 0.00 0.00 0.00 176.54 175.73 2dk9 h THR 5 N 0.00 1.09 -0.23 4.70 2.02 -1.53 -2.67 112.91 116.29 2dk9 h THR 5 Ca -0.01 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 2dk9 h THR 5 Cb 1.16 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2dk9 h THR 5 CO 0.07 0.20 -0.04 1.56 0.37 0.00 0.00 175.52 177.68 2dk9 h GLN 6 N -0.56 0.35 -0.27 6.66 4.20 -1.64 -2.60 115.11 121.25 2dk9 h GLN 6 Ca -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2dk9 h GLN 6 Cb 0.45 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2dk9 h GLN 6 CO 0.02 0.41 0.12 1.49 -0.67 0.00 0.00 178.83 180.20 2dk9 h GLU 7 N 0.33 0.39 -0.10 1.46 4.57 -1.47 -1.97 114.58 117.79 2dk9 h GLU 7 Ca 0.07 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2dk9 h GLU 7 Cb 0.29 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2dk9 h GLU 7 CO 0.01 0.40 -0.23 1.05 -1.18 0.00 0.00 179.01 179.06 2dk9 h GLU 8 N 0.29 0.18 -0.08 1.92 4.11 -1.23 -2.50 114.58 117.27 2dk9 h GLU 8 Ca 0.09 -0.05 -0.02 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 0.40 -0.02 -0.07 0.07 0.00 0.00 179.01 179.38 2dk9 h LEU 9 N 0.16 0.15 -1.37 3.06 3.38 -1.15 -2.50 115.31 117.05 2dk9 h LEU 9 Ca 0.03 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2dk9 h LEU 9 Cb 0.50 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2dk9 h LEU 9 CO 0.03 0.49 0.19 0.25 0.09 0.00 0.00 178.44 179.49 2dk9 h LEU 10 N -0.18 0.56 -0.58 1.67 6.46 -1.24 -1.96 115.31 120.03 2dk9 h LEU 10 Ca 0.02 -0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.64 2dk9 h LEU 10 Cb 0.42 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2dk9 h LEU 10 CO 0.01 0.50 0.02 0.03 -0.62 0.00 0.00 178.44 178.38 2dk9 h ARG 11 N 0.62 1.01 -0.31 1.25 3.08 -1.37 -2.10 114.38 116.56 2dk9 h ARG 11 Ca 0.15 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 2dk9 h ARG 11 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2dk9 h ARG 11 CO -0.02 1.00 -0.09 2.35 -1.07 0.00 0.00 179.97 182.14 2dk9 h TRP 12 N 0.91 0.68 -0.43 3.04 7.01 -0.99 -1.56 115.95 124.62 2dk9 h TRP 12 Ca 0.17 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 2dk9 h TRP 12 Cb 0.52 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 2dk9 h TRP 12 CO 0.04 0.80 0.27 0.00 -2.79 0.00 0.00 178.44 176.75 2dk9 h GLN 14 N 0.57 0.99 -0.27 0.00 4.15 -1.36 0.31 115.11 119.50 2dk9 h GLN 14 Ca 0.15 -0.31 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 2dk9 h GLN 14 Cb -0.02 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2dk9 h GLN 14 CO -0.03 0.99 -0.01 1.49 -1.93 0.00 0.00 178.83 179.34 2dk9 h GLU 15 N 0.90 0.48 -0.16 1.69 4.57 -0.97 -0.26 114.58 120.83 2dk9 h GLU 15 Ca 0.16 -0.16 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 2dk9 h GLU 15 Cb 0.56 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2dk9 h GLU 15 CO 0.03 0.65 -0.38 1.96 -1.18 0.00 0.00 179.01 180.09 2dk9 h GLN 16 N 0.26 0.36 -0.30 1.92 1.08 -0.82 -2.62 115.11 114.99 2dk9 h GLN 16 Ca 0.08 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2dk9 h GLN 16 Cb 0.43 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2dk9 h GLN 16 CO 0.02 0.69 0.00 2.41 -0.95 0.00 0.00 178.83 180.99 2dk9 n THR 17 N -4.05 0.40 -2.74 -0.54 -1.04 0.09 -4.83 114.28 101.57 2dk9 n THR 17 Ca -0.01 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.05 61.11 2dk9 n THR 17 Cb 0.47 0.35 -0.03 0.00 -1.82 0.00 0.00 70.33 69.30 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 -1.60 3.42 0.00 2.41 0.00 -0.12 -4.00 121.76 121.86 2dk9 s ALA 18 Ca 0.30 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2dk9 s ALA 18 Cb 0.16 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2dk9 s ALA 18 CO 0.22 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2dk9 n GLY 19 N 3.16 2.25 3.67 0.00 0.00 -1.26 -5.02 105.19 107.98 2dk9 n GLY 19 Ca 0.07 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.02 3.08 -0.11 1.61 1.51 -1.26 -4.98 117.35 117.19 2dk9 s TYR 20 Ca 0.00 1.20 -0.29 0.00 -1.01 0.00 0.00 57.07 56.97 2dk9 s TYR 20 Cb 0.00 -3.41 -0.05 0.00 -0.11 0.00 0.00 41.96 38.39 2dk9 s TYR 20 CO 0.00 -1.22 1.77 -2.14 -1.11 0.00 0.00 175.55 172.84 2dk9 s PRO 21 N 3.09 3.93 0.00 -1.71 0.02 -1.26 -2.26 135.00 136.81 2dk9 s PRO 21 Ca 0.52 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2dk9 s PRO 21 Cb -0.20 -4.08 0.00 0.00 0.02 0.00 0.00 34.50 30.24 2dk9 s PRO 21 CO 0.14 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 2dk9 n GLY 22 N 4.57 2.25 3.66 0.52 0.00 -1.26 -5.05 105.19 109.87 2dk9 n GLY 22 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.30 4.55 -0.57 1.61 1.01 -0.96 -4.99 120.40 118.76 2dk9 s VAL 23 Ca 0.00 1.87 0.04 0.00 0.00 0.00 0.00 61.98 63.89 2dk9 s VAL 23 Cb 0.00 -4.21 0.14 0.00 0.00 0.00 0.00 36.38 32.32 2dk9 s VAL 23 CO 0.00 -0.15 0.34 -2.28 0.00 0.00 0.00 175.10 173.01 2dk9 s HIS 24 N 3.19 3.14 -0.83 5.22 2.46 -1.26 -4.85 115.29 122.36 2dk9 s HIS 24 Ca 0.48 -3.14 -0.25 0.00 0.47 0.00 0.00 55.06 52.62 2dk9 s HIS 24 Cb -0.17 -2.64 -0.01 0.00 -0.13 0.00 0.00 32.58 29.63 2dk9 s HIS 24 CO 0.10 -0.68 1.73 0.08 -2.47 0.00 0.00 174.74 173.49 2dk9 s VAL 25 N -0.62 3.56 0.00 0.89 1.01 -1.26 -4.50 120.40 119.48 2dk9 s VAL 25 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2dk9 s VAL 25 Cb -0.18 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2dk9 s VAL 25 CO -0.06 -1.28 0.68 -0.24 0.00 0.00 0.00 175.10 174.20 2dk9 n SER 26 N 11.94 0.00 -3.88 3.32 2.88 -1.26 -4.61 113.62 122.01 2dk9 n SER 26 Ca 0.28 -1.37 -0.14 0.00 -1.33 0.00 0.00 58.87 56.31 2dk9 n SER 26 Cb 0.49 -0.07 -0.15 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.37 0.27 -0.43 -3.46 1.11 -1.26 -5.04 116.67 107.50 2dk9 s ASP 27 Ca 0.00 -0.03 -0.00 0.00 0.18 0.00 0.00 52.55 52.70 2dk9 s ASP 27 Cb 0.00 -0.07 0.37 0.00 1.07 0.00 0.00 42.92 44.29 2dk9 s ASP 27 CO 0.00 -0.01 1.91 0.18 1.18 0.00 0.00 175.17 178.43 2dk9 n LEU 28 N 3.33 6.60 0.00 1.23 4.77 -1.26 -3.79 117.00 127.88 2dk9 n LEU 28 Ca -0.16 -3.51 0.00 0.00 -0.03 0.00 0.00 56.01 52.31 2dk9 n LEU 28 Cb 0.57 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2dk9 n LEU 28 CO 0.25 1.19 0.00 -0.24 -1.33 0.00 0.00 177.39 177.26 2dk9 n SER 29 N -0.37 0.00 0.05 -1.43 2.88 -1.26 -4.91 113.62 108.57 2dk9 n SER 29 Ca 0.44 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.99 2dk9 n SER 29 Cb 0.85 0.41 0.34 0.00 -0.75 0.00 0.00 64.21 65.06 2dk9 n SER 29 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dk9 h SER 30 N 0.00 0.38 -0.18 -3.46 0.02 -1.84 -2.24 113.55 106.22 2dk9 h SER 30 Ca 0.00 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2dk9 h SER 30 Cb 0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2dk9 h SER 30 CO 0.00 0.49 0.26 -1.28 -1.14 0.00 0.00 176.83 175.16 2dk9 h SER 31 N 0.38 0.00 -0.45 3.07 0.87 -1.91 0.27 113.55 115.78 2dk9 h SER 31 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2dk9 h SER 31 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2dk9 h SER 31 CO 0.02 0.00 0.00 0.79 -0.53 0.00 0.00 176.83 177.11 2dk9 n TRP 32 N -3.56 0.59 0.26 2.24 7.02 -0.85 -3.65 117.44 119.49 2dk9 n TRP 32 Ca 0.02 -0.47 -0.17 0.00 -1.02 0.00 0.00 57.50 55.86 2dk9 n TRP 32 Cb 0.38 -0.02 -0.09 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 2.74 -1.11 -0.05 6.99 0.00 -0.38 -2.14 119.26 125.30 2dk9 h ALA 33 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dk9 h ALA 33 Cb 0.80 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2dk9 h ALA 33 CO 0.00 -1.15 0.00 -0.40 0.00 0.00 0.00 179.25 177.70 2dk9 n ASP 34 N -5.26 0.61 -1.08 0.00 5.68 -1.26 -4.27 116.55 110.98 2dk9 n ASP 34 Ca -0.11 -1.43 -0.09 0.00 -0.50 0.00 0.00 54.79 52.66 2dk9 n ASP 34 Cb 0.42 -0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.96 0.01 0.16 6.12 0.00 -0.81 -4.58 105.19 107.05 2dk9 n GLY 35 Ca 0.17 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.06 0.48 -0.13 0.99 -0.00 -1.82 -2.43 115.31 112.33 2dk9 h LEU 36 Ca -0.22 -0.36 -0.04 0.00 -0.00 0.00 0.00 57.88 57.26 2dk9 h LEU 36 Cb 1.16 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.67 2dk9 h LEU 36 CO 0.25 1.13 -0.08 0.00 -0.00 0.00 0.00 178.44 179.75 2dk9 h ALA 37 N 0.84 0.19 -0.28 1.53 0.00 -1.91 0.16 119.26 119.79 2dk9 h ALA 37 Ca -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2dk9 h ALA 37 Cb 1.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2dk9 h ALA 37 CO 0.14 -0.00 0.06 1.25 0.00 0.00 0.00 179.25 180.70 2dk9 h LEU 38 N -0.07 0.42 -0.81 0.00 6.46 -1.90 -2.50 115.31 116.91 2dk9 h LEU 38 Ca 0.03 -0.23 -0.12 0.00 -0.12 0.00 0.00 57.88 57.43 2dk9 h LEU 38 Cb 0.56 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2dk9 h LEU 38 CO 0.02 0.55 -0.41 0.00 -0.62 0.00 0.00 178.44 177.99 2dk9 h ALA 40 N 1.24 1.17 0.08 0.00 0.00 -0.49 0.30 119.26 121.55 2dk9 h ALA 40 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dk9 h ALA 40 Cb 0.86 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dk9 h ALA 40 CO 0.07 0.56 -0.04 -0.07 0.00 0.00 0.00 179.25 179.78 2dk9 h LEU 41 N 1.25 -0.09 -0.69 0.00 3.38 -1.31 -2.43 115.31 115.42 2dk9 h LEU 41 Ca 0.34 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2dk9 h LEU 41 Cb -0.14 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2dk9 h LEU 41 CO -0.07 0.41 0.44 0.58 0.09 0.00 0.00 178.44 179.88 2dk9 h VAL 42 N -0.62 1.11 -0.80 1.22 2.07 -1.31 -1.97 116.25 115.97 2dk9 h VAL 42 Ca -0.01 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2dk9 h VAL 42 Cb 0.51 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2dk9 h VAL 42 CO 0.02 0.16 0.52 0.22 0.02 0.00 0.00 177.57 178.50 2dk9 h TYR 43 N 0.86 1.01 -0.76 1.57 3.20 -0.45 0.57 116.97 122.98 2dk9 h TYR 43 Ca 0.27 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2dk9 h TYR 43 Cb -0.01 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.88 2dk9 h TYR 43 CO -0.04 0.64 0.33 0.00 -1.64 0.00 0.00 178.16 177.45 2dk9 h ARG 44 N 1.08 1.12 0.08 1.82 2.47 -0.85 0.24 114.38 120.35 2dk9 h ARG 44 Ca 0.29 -0.19 -0.12 0.00 -1.26 0.00 0.00 59.98 58.70 2dk9 h ARG 44 Cb -0.11 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.03 2dk9 h ARG 44 CO -0.06 0.90 -0.51 -0.07 0.56 0.00 0.00 179.97 180.79 2dk9 h LEU 45 N 1.09 0.32 -6.55 3.04 -0.00 -0.97 -3.41 115.31 108.82 2dk9 h LEU 45 Ca 0.26 -0.93 -0.60 0.00 -0.00 0.00 0.00 57.88 56.61 2dk9 h LEU 45 Cb 0.18 -0.10 -0.39 0.00 -0.00 0.00 0.00 40.66 40.35 2dk9 h LEU 45 CO -0.03 1.23 -0.87 0.00 -0.00 0.00 0.00 178.44 178.77 2dk9 n GLN 46 N -4.31 0.62 0.18 1.13 3.00 0.20 -4.96 117.38 113.24 2dk9 n GLN 46 Ca -0.12 -3.52 0.02 0.00 -0.01 0.00 0.00 57.00 53.37 2dk9 n GLN 46 Cb 0.68 -1.83 0.33 0.00 0.00 0.00 0.00 30.24 29.42 2dk9 n GLN 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2dk9 h PRO 47 N 5.56 0.00 -0.08 -1.09 0.13 -0.68 -2.99 132.00 132.85 2dk9 h PRO 47 Ca 0.24 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.24 2dk9 h PRO 47 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2dk9 h PRO 47 CO 0.46 0.42 -0.54 0.78 -0.23 0.00 0.00 178.00 178.89 2dk9 h GLY 48 N 1.35 0.26 -3.48 1.56 0.00 -1.93 -2.98 103.07 97.85 2dk9 h GLY 48 Ca -0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 47.33 46.80 2dk9 h GLY 48 CO 0.05 0.26 0.30 1.04 0.00 0.00 0.00 176.54 178.19 2dk9 n LEU 49 N -3.92 5.69 -3.99 3.11 7.99 -1.13 -4.93 117.00 119.82 2dk9 n LEU 49 Ca -0.02 -2.97 -0.10 0.00 -0.01 0.00 0.00 56.01 52.91 2dk9 n LEU 49 Cb 0.57 -0.73 -0.07 0.00 -0.11 0.00 0.00 43.42 43.08 2dk9 n LEU 49 CO 0.43 0.78 0.01 -0.76 -1.51 0.00 0.00 177.39 176.35 2dk9 s LEU 50 N -2.62 0.79 -0.44 2.23 2.01 -1.13 -4.97 118.68 114.56 2dk9 s LEU 50 Ca 0.48 -0.93 0.08 0.00 0.01 0.00 0.00 54.13 53.77 2dk9 s LEU 50 Cb 0.39 1.27 0.32 0.00 0.01 0.00 0.00 46.19 48.18 2dk9 s LEU 50 CO 0.12 -0.95 0.98 -0.62 1.01 0.00 0.00 176.35 176.88 2dk9 n GLU 51 N -0.27 0.98 -0.24 1.70 -0.58 -1.26 -4.90 120.64 116.07 2dk9 n GLU 51 Ca -0.05 -2.34 0.20 0.00 -0.42 0.00 0.00 57.16 54.55 2dk9 n GLU 51 Cb 0.63 -1.25 0.53 0.00 -0.57 0.00 0.00 31.44 30.78 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 3.12 0.36 -0.41 3.49 0.13 -1.94 -1.28 132.00 135.46 2dk9 h PRO 52 Ca -0.05 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.13 2dk9 h PRO 52 Cb 1.05 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.04 2dk9 h PRO 52 CO 0.26 0.24 0.05 1.03 -0.23 0.00 0.00 178.00 179.34 2dk9 h SER 53 N 0.37 -0.07 0.01 1.44 0.87 -1.98 0.63 113.55 114.81 2dk9 h SER 53 Ca 0.47 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2dk9 h SER 53 Cb 1.23 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2dk9 h SER 53 CO -0.17 -0.00 -0.00 -0.33 -0.53 0.00 0.00 176.83 175.80 2dk9 h GLU 54 N 0.16 -0.01 0.00 2.24 5.08 -1.69 -3.12 114.58 117.24 2dk9 h GLU 54 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2dk9 h GLU 54 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2dk9 h GLU 54 CO -0.30 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.56 2dk9 n LEU 55 N -4.82 0.55 -0.28 1.33 4.77 -0.84 -1.86 117.00 115.85 2dk9 n LEU 55 Ca -0.09 0.69 -0.06 0.00 -0.03 0.00 0.00 56.01 56.53 2dk9 n LEU 55 Cb 0.29 -0.69 0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2dk9 n LEU 55 CO 0.33 -0.73 1.03 -0.61 -1.33 0.00 0.00 177.39 176.08 2dk9 h GLN 56 N 0.00 1.17 -0.00 3.23 4.15 0.33 -3.26 115.11 120.73 2dk9 h GLN 56 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2dk9 h GLN 56 Cb 0.16 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2dk9 h GLN 56 CO 0.00 0.96 -0.30 0.41 -1.93 0.00 0.00 178.83 177.97 2dk9 n GLY 57 N -0.84 0.10 0.30 2.39 0.00 -1.07 -4.56 105.19 101.52 2dk9 n GLY 57 Ca 0.07 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.32 0.17 0.00 0.99 4.07 -1.41 -3.47 115.31 115.99 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 0.22 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.92 2dk9 h LEU 58 CO 0.00 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 178.09 2dk9 n GLY 59 N -1.53 4.34 0.44 0.83 0.00 -1.26 -4.82 105.19 103.20 2dk9 n GLY 59 Ca 0.02 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.10 -0.73 4.61 0.00 -1.83 0.35 119.26 120.56 2dk9 h ALA 60 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dk9 h ALA 60 Cb 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2dk9 h ALA 60 CO 0.00 -1.02 0.44 -0.07 0.00 0.00 0.00 179.25 178.59 2dk9 h LEU 61 N -1.29 0.87 -0.15 0.00 -0.00 -1.93 0.19 115.31 113.00 2dk9 h LEU 61 Ca -0.11 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 2dk9 h LEU 61 Cb 0.84 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2dk9 h LEU 61 CO 0.18 0.67 -0.09 -0.33 -0.00 0.00 0.00 178.44 178.87 2dk9 h GLU 62 N 1.00 0.32 -0.46 1.13 3.07 -1.87 0.02 114.58 117.80 2dk9 h GLU 62 Ca 0.26 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 2dk9 h GLU 62 Cb -0.04 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2dk9 h GLU 62 CO -0.05 0.66 0.13 0.00 -1.40 0.00 0.00 179.01 178.35 2dk9 h ALA 63 N 0.65 0.60 -0.03 3.43 0.00 -0.04 -0.41 119.26 123.45 2dk9 h ALA 63 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2dk9 h ALA 63 Cb 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dk9 h ALA 63 CO 0.03 0.27 -0.01 1.15 0.00 0.00 0.00 179.25 180.69 2dk9 h THR 64 N 0.60 1.29 -0.65 0.00 2.02 -0.99 -0.50 112.91 114.68 2dk9 h THR 64 Ca 0.14 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2dk9 h THR 64 Cb 0.30 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2dk9 h THR 64 CO -0.00 0.23 0.43 0.00 0.37 0.00 0.00 175.52 176.55 2dk9 h ALA 65 N 0.66 0.82 0.01 6.16 0.00 -0.96 0.30 119.26 126.25 2dk9 h ALA 65 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dk9 h ALA 65 Cb 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dk9 h ALA 65 CO 0.00 0.24 -0.01 2.35 0.00 0.00 0.00 179.25 181.84 2dk9 h TRP 66 N 0.87 -0.01 -0.74 0.00 7.01 -1.06 -1.42 115.95 120.59 2dk9 h TRP 66 Ca 0.24 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.20 2dk9 h TRP 66 Cb -0.09 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 26.94 2dk9 h TRP 66 CO -0.03 0.33 0.30 0.00 -2.79 0.00 0.00 178.44 176.25 2dk9 h ALA 67 N 0.63 0.97 -0.54 2.65 0.00 -0.95 -0.24 119.26 121.76 2dk9 h ALA 67 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2dk9 h ALA 67 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2dk9 h ALA 67 CO 0.00 0.59 0.11 -0.07 0.00 0.00 0.00 179.25 179.88 2dk9 h LEU 68 N 1.07 0.84 -0.07 0.00 3.38 -0.38 0.45 115.31 120.61 2dk9 h LEU 68 Ca 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2dk9 h LEU 68 Cb 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2dk9 h LEU 68 CO -0.02 0.87 -0.06 0.50 0.09 0.00 0.00 178.44 179.82 2dk9 h LYS 69 N 0.78 0.17 -0.30 1.13 3.64 -1.05 -2.41 116.57 118.52 2dk9 h LYS 69 Ca 0.17 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2dk9 h LYS 69 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2dk9 h LYS 69 CO 0.01 0.59 -0.16 -0.24 -2.27 0.00 0.00 179.45 177.38 2dk9 h VAL 70 N -0.26 1.29 -0.69 2.00 3.04 -1.03 -0.72 116.25 119.88 2dk9 h VAL 70 Ca 0.01 -1.27 0.08 0.00 -1.01 0.00 0.00 66.70 64.52 2dk9 h VAL 70 Cb 0.56 1.47 -0.07 0.00 -2.01 0.00 0.00 31.29 31.24 2dk9 h VAL 70 CO 0.02 0.41 0.35 0.00 -1.01 0.00 0.00 177.57 177.34 2dk9 h ALA 71 N 0.75 0.95 -0.28 3.17 0.00 -0.15 0.94 119.26 124.65 2dk9 h ALA 71 Ca 0.07 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2dk9 h ALA 71 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2dk9 h ALA 71 CO 0.05 -0.02 -0.42 1.49 0.00 0.00 0.00 179.25 180.35 2dk9 h GLU 72 N 0.62 0.69 -0.27 0.00 4.81 -1.35 0.42 114.58 119.49 2dk9 h GLU 72 Ca 0.33 -0.36 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2dk9 h GLU 72 Cb 0.31 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2dk9 h GLU 72 CO -0.24 0.98 -0.44 -0.91 -0.73 0.00 0.00 179.01 177.67 2dk9 h ASN 73 N 0.56 0.86 0.19 1.04 4.21 0.21 0.76 115.58 123.41 2dk9 h ASN 73 Ca 0.04 -0.52 -0.27 0.00 1.21 0.00 0.00 56.30 56.77 2dk9 h ASN 73 Cb 0.95 -0.25 0.03 0.00 -1.12 0.00 0.00 38.32 37.93 2dk9 h ASN 73 CO 0.09 1.21 -1.20 -0.08 -1.29 0.00 0.00 177.43 176.16 2dk9 h GLU 74 N 0.53 0.40 0.06 0.81 4.57 0.88 -3.39 114.58 118.44 2dk9 h GLU 74 Ca 0.02 -0.68 -0.37 0.00 -1.18 0.00 0.00 59.36 57.15 2dk9 h GLU 74 Cb 1.04 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 2dk9 h GLU 74 CO 0.10 1.33 -2.20 -0.11 -1.18 0.00 0.00 179.01 176.95 2dk9 n LEU 75 N -3.91 2.73 0.00 1.64 -0.00 0.14 -5.02 117.00 112.58 2dk9 n LEU 75 Ca -0.17 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2dk9 n LEU 75 Cb 0.96 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 2dk9 n LEU 75 CO 0.53 0.86 0.00 0.61 -0.00 0.00 0.00 177.39 179.39 2dk9 n GLY 76 N 2.06 1.16 3.52 -3.96 0.00 0.26 -5.00 105.19 103.24 2dk9 n GLY 76 Ca -0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 5.03 0.15 -0.61 1.01 -1.22 -4.97 121.20 118.59 2dk9 s ILE 77 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 2dk9 s ILE 77 Cb 0.00 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 2dk9 s ILE 77 CO 0.00 -0.34 1.16 0.28 0.00 0.00 0.00 174.94 176.04 2dk9 s THR 78 N 2.32 3.81 0.54 2.92 -1.32 -1.26 -3.89 115.64 118.77 2dk9 s THR 78 Ca 0.16 1.48 -0.21 0.00 -1.21 0.00 0.00 61.69 61.91 2dk9 s THR 78 Cb -0.16 -3.94 -0.07 0.00 -1.51 0.00 0.00 72.50 66.82 2dk9 s THR 78 CO 0.14 0.21 1.03 -2.65 -2.21 0.00 0.00 174.62 171.14 2dk9 n PRO 79 N 2.81 1.15 -0.00 7.08 -0.02 -1.26 -4.94 135.00 139.82 2dk9 n PRO 79 Ca 0.05 0.43 0.01 0.00 -2.02 0.00 0.00 63.50 61.97 2dk9 n PRO 79 Cb 0.46 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.27 0.00 -4.08 -1.45 0.31 -1.26 -5.06 118.33 105.52 2dk9 n VAL 80 Ca 0.12 -0.23 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 2dk9 n VAL 80 Cb 0.45 0.70 -0.10 0.00 -0.91 0.00 0.00 33.84 33.98 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 -1.70 0.26 0.46 2.52 0.11 -1.26 -4.98 120.40 115.80 2dk9 s VAL 81 Ca -0.00 -1.69 -0.21 0.00 -2.93 0.00 0.00 61.98 57.15 2dk9 s VAL 81 Cb 0.01 -1.35 -0.10 0.00 -1.53 0.00 0.00 36.38 33.41 2dk9 s VAL 81 CO 0.08 -0.91 1.00 -0.55 -3.33 0.00 0.00 175.10 171.39 2dk9 s SER 82 N -2.72 6.62 0.16 3.54 0.15 -1.26 -4.97 113.70 115.22 2dk9 s SER 82 Ca 0.04 1.82 -0.14 0.00 0.70 0.00 0.00 55.95 58.37 2dk9 s SER 82 Cb 0.05 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2dk9 s SER 82 CO -0.08 -0.58 1.70 0.00 1.20 0.00 0.00 173.24 175.48 2dk9 h ALA 83 N 1.72 0.67 -0.71 5.45 0.00 -1.96 -2.48 119.26 121.95 2dk9 h ALA 83 Ca -0.49 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.30 2dk9 h ALA 83 Cb 1.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2dk9 h ALA 83 CO 0.60 0.28 0.47 0.37 0.00 0.00 0.00 179.25 180.97 2dk9 h GLN 84 N 0.69 0.81 -0.28 0.00 -0.00 -1.96 -1.18 115.11 113.19 2dk9 h GLN 84 Ca 0.17 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.72 2dk9 h GLN 84 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 2dk9 h GLN 84 CO -0.01 0.53 -0.03 0.00 0.00 0.00 0.00 178.83 179.32 2dk9 h ALA 85 N 1.59 0.38 0.10 3.38 0.00 -1.87 -0.53 119.26 122.31 2dk9 h ALA 85 Ca 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dk9 h ALA 85 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dk9 h ALA 85 CO -0.08 0.15 -0.05 0.28 0.00 0.00 0.00 179.25 179.55 2dk9 h VAL 86 N 0.28 0.97 -0.42 0.00 2.07 -0.99 0.44 116.25 118.61 2dk9 h VAL 86 Ca 0.07 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2dk9 h VAL 86 Cb 0.48 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2dk9 h VAL 86 CO 0.02 0.06 0.12 0.58 0.02 0.00 0.00 177.57 178.37 2dk9 h VAL 87 N -0.24 1.18 0.00 2.57 2.07 -1.26 -1.86 116.25 118.71 2dk9 h VAL 87 Ca -0.01 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2dk9 h VAL 87 Cb 0.20 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2dk9 h VAL 87 CO 0.02 0.23 -0.27 0.00 0.02 0.00 0.00 177.57 177.57 2dk9 n ALA 88 N -2.47 2.67 -2.24 1.67 0.00 -0.21 -4.66 120.51 115.27 2dk9 n ALA 88 Ca 0.03 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 2dk9 n ALA 88 Cb 0.18 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 1.38 -0.03 2.07 0.00 0.00 0.15 -4.85 105.19 103.91 2dk9 n GLY 89 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.82 3.98 -2.75 1.61 7.64 -0.96 -4.54 113.62 116.78 2dk9 n SER 90 Ca -0.22 -3.66 -0.09 0.00 1.01 0.00 0.00 58.87 55.91 2dk9 n SER 90 Cb 0.66 -0.82 0.07 0.00 -1.01 0.00 0.00 64.21 63.12 2dk9 n SER 90 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dk9 n ASP 91 N -1.12 -2.45 -0.30 6.43 8.00 -1.26 -5.01 116.55 120.84 2dk9 n ASP 91 Ca 0.56 -3.55 0.06 0.00 0.71 0.00 0.00 54.79 52.57 2dk9 n ASP 91 Cb 1.47 1.83 0.21 0.00 -0.02 0.00 0.00 41.12 44.60 2dk9 n ASP 91 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2dk9 h PRO 92 N 3.35 0.67 -0.70 -0.24 0.11 -1.93 -0.54 132.00 132.72 2dk9 h PRO 92 Ca -0.11 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.01 2dk9 h PRO 92 Cb 1.07 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 2dk9 h PRO 92 CO 0.21 0.44 0.46 1.25 -0.21 0.00 0.00 178.00 180.15 2dk9 h LEU 93 N 0.69 0.68 -0.36 2.35 6.46 -1.99 -2.15 115.31 120.99 2dk9 h LEU 93 Ca 0.45 -0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 58.03 2dk9 h LEU 93 Cb 0.57 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 2dk9 h LEU 93 CO -0.33 0.45 -0.47 1.23 -0.62 0.00 0.00 178.44 178.71 2dk9 h GLY 94 N 0.78 0.98 1.01 3.75 0.00 -1.50 -2.55 103.07 105.54 2dk9 h GLY 94 Ca 0.29 -1.07 0.01 0.00 0.00 0.00 0.00 47.33 46.56 2dk9 h GLY 94 CO -0.09 0.96 0.56 -2.00 0.00 0.00 0.00 176.54 175.97 2dk9 h LEU 95 N 0.71 0.97 -0.45 3.11 5.85 -0.96 -1.48 115.31 123.06 2dk9 h LEU 95 Ca 0.04 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2dk9 h LEU 95 Cb 1.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2dk9 h LEU 95 CO 0.11 0.71 -0.14 0.40 -0.34 0.00 0.00 178.44 179.17 2dk9 h ILE 96 N 1.15 1.27 -0.52 4.05 1.08 -1.43 -0.82 117.51 122.29 2dk9 h ILE 96 Ca 0.31 -1.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2dk9 h ILE 96 Cb -0.13 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 2dk9 h ILE 96 CO -0.07 0.44 0.32 0.00 -0.69 0.00 0.00 178.15 178.15 2dk9 h ALA 97 N 0.86 0.66 -0.21 1.87 0.00 -1.04 -0.10 119.26 121.30 2dk9 h ALA 97 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2dk9 h ALA 97 Cb 0.70 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2dk9 h ALA 97 CO 0.05 0.13 -0.16 -0.92 0.00 0.00 0.00 179.25 178.35 2dk9 h TYR 98 N 0.70 0.56 -0.86 0.00 5.03 -1.22 -3.05 116.97 118.13 2dk9 h TYR 98 Ca 0.19 -0.16 0.02 0.00 2.58 0.00 0.00 58.73 61.36 2dk9 h TYR 98 Cb -0.04 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.07 2dk9 h TYR 98 CO -0.03 0.80 0.57 -0.07 -1.32 0.00 0.00 178.16 178.11 2dk9 h LEU 99 N 0.16 0.96 -1.28 2.82 3.38 -0.97 -1.58 115.31 118.79 2dk9 h LEU 99 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dk9 h LEU 99 Cb 0.69 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2dk9 h LEU 99 CO 0.04 0.68 0.41 0.28 0.09 0.00 0.00 178.44 179.94 2dk9 h SER 100 N 1.12 0.79 -0.13 -0.43 0.02 -0.95 0.56 113.55 114.53 2dk9 h SER 100 Ca 0.33 -0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 61.02 2dk9 h SER 100 Cb -0.06 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.30 2dk9 h SER 100 CO -0.08 0.60 -0.79 -0.74 -1.14 0.00 0.00 176.83 174.67 2dk9 h HIS 101 N 0.91 1.06 -0.47 3.45 -0.00 -1.23 -2.28 115.15 116.59 2dk9 h HIS 101 Ca 0.24 -0.47 -0.10 0.00 -0.00 0.00 0.00 60.37 60.04 2dk9 h HIS 101 Cb -0.05 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.18 2dk9 h HIS 101 CO 0.00 1.31 -0.09 0.74 -0.00 0.00 0.00 177.93 179.89 2dk9 h PHE 102 N 0.53 1.00 -0.52 5.26 -1.00 -0.88 -2.39 116.94 118.94 2dk9 h PHE 102 Ca -0.06 -0.21 -0.08 0.00 2.81 0.00 0.00 57.97 60.44 2dk9 h PHE 102 Cb 1.42 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.72 2dk9 h PHE 102 CO 0.09 0.97 0.02 1.25 -1.61 0.00 0.00 178.31 179.03 2dk9 h HIS 103 N 0.75 0.99 -0.60 -0.55 2.76 -0.94 0.12 115.15 117.69 2dk9 h HIS 103 Ca 0.12 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2dk9 h HIS 103 Cb 0.64 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 2dk9 h HIS 103 CO 0.05 0.91 0.38 1.03 -1.30 0.00 0.00 177.93 178.99 2dk9 h SER 104 N 0.79 0.71 -0.09 3.26 0.87 -1.32 0.22 113.55 117.97 2dk9 h SER 104 Ca 0.15 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 2dk9 h SER 104 Cb 0.50 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2dk9 h SER 104 CO 0.02 0.54 -0.43 0.00 -0.53 0.00 0.00 176.83 176.43 2dk9 h ALA 105 N 1.20 0.18 0.00 6.23 0.00 -1.31 -3.15 119.26 122.40 2dk9 h ALA 105 Ca 0.22 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2dk9 h ALA 105 Cb -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dk9 h ALA 105 CO -0.04 0.31 -0.12 0.74 0.00 0.00 0.00 179.25 180.14 2dk9 h PHE 106 N 0.03 0.00 -0.95 0.00 -1.00 -0.61 -2.79 116.94 111.62 2dk9 h PHE 106 Ca -0.03 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.86 2dk9 h PHE 106 Cb 1.08 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.56 2dk9 h PHE 106 CO 0.12 0.12 0.61 -0.22 -1.61 0.00 0.00 178.31 177.33 2dk9 h LYS 107 N 0.00 0.91 0.03 1.51 3.64 -0.52 -2.18 116.57 119.95 2dk9 h LYS 107 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2dk9 h LYS 107 Cb 0.38 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2dk9 h LYS 107 CO 0.02 0.60 -0.01 1.03 -2.27 0.00 0.00 179.45 178.81 2dk9 h SER 108 N 0.93 -0.03 -0.01 4.20 0.87 -1.63 -3.52 113.55 114.37 2dk9 h SER 108 Ca 0.46 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2dk9 h SER 108 Cb 0.47 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2dk9 h SER 108 CO -0.22 0.05 0.00 0.80 -0.53 0.00 0.00 176.83 176.93