#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 1.89 0.06 3.17 0.00 -1.26 -5.03 105.19 104.02 2dk9 n GLY -7 Ca 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 2dk9 n GLY -7 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2dk9 h HIS -6 N 0.00 0.00 0.00 1.61 6.17 -2.07 -3.48 115.15 117.38 2dk9 h HIS -6 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2dk9 h HIS -6 Cb 0.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.93 2dk9 h HIS -6 CO 0.00 0.20 0.00 0.72 0.71 0.00 0.00 177.93 179.56 2dk9 n HIS -5 N -4.69 -3.16 0.08 5.26 -0.00 -1.26 -5.09 115.22 106.35 2dk9 n HIS -5 Ca -0.05 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.42 2dk9 n HIS -5 Cb 0.18 2.01 0.00 0.00 -0.00 0.00 0.00 29.99 32.18 2dk9 n HIS -5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dk9 n HIS -4 N -3.05 -2.84 -4.17 4.41 -0.00 -1.26 -5.15 115.22 103.17 2dk9 n HIS -4 Ca 0.00 0.53 -0.17 0.00 -0.00 0.00 0.00 57.72 58.08 2dk9 n HIS -4 Cb 0.00 1.57 -0.12 0.00 -0.00 0.00 0.00 29.99 31.44 2dk9 n HIS -4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dk9 s HIS -3 N -1.73 1.05 0.00 4.41 0.09 -1.26 -4.99 115.29 112.85 2dk9 s HIS -3 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 55.06 54.62 2dk9 s HIS -3 Cb 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 32.58 31.98 2dk9 s HIS -3 CO 0.00 0.01 0.00 -2.39 -0.00 0.00 0.00 174.74 172.36 2dk9 n HIS -2 N 1.48 -0.80 0.11 1.40 1.44 -1.26 -5.05 115.22 112.54 2dk9 n HIS -2 Ca -0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.50 2dk9 n HIS -2 Cb 0.54 0.37 0.00 0.00 0.12 0.00 0.00 29.99 31.03 2dk9 n HIS -2 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2dk9 n HIS -1 N -2.25 -1.59 -4.28 -1.40 -0.00 -1.26 -5.12 115.22 99.33 2dk9 n HIS -1 Ca 0.00 0.28 -0.21 0.00 -0.00 0.00 0.00 57.72 57.80 2dk9 n HIS -1 Cb 0.00 0.36 -0.13 0.00 -0.00 0.00 0.00 29.99 30.23 2dk9 n HIS -1 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2dk9 s MET 0 N -2.00 0.96 0.13 1.57 1.00 -1.26 -5.00 119.30 114.70 2dk9 s MET 0 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 55.69 54.75 2dk9 s MET 0 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 34.83 33.80 2dk9 s MET 0 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 175.02 175.67 2dk9 n GLY 1 N 1.46 -1.33 0.11 -0.03 0.00 -1.26 -4.92 105.19 99.21 2dk9 n GLY 1 Ca -0.20 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 2dk9 n GLY 1 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dk9 h SER 2 N 0.00 -0.12 0.31 1.61 0.87 -1.98 -3.29 113.55 110.95 2dk9 h SER 2 Ca 0.00 -0.37 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 2dk9 h SER 2 Cb 0.00 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2dk9 h SER 2 CO 0.00 0.51 -0.29 0.00 -0.53 0.00 0.00 176.83 176.52 2dk9 h ALA 3 N -0.50 1.49 -0.28 6.23 0.00 -1.97 -2.63 119.26 121.60 2dk9 h ALA 3 Ca -0.01 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2dk9 h ALA 3 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2dk9 h ALA 3 CO 0.02 0.36 0.19 0.78 0.00 0.00 0.00 179.25 180.61 2dk9 h GLY 4 N 0.91 0.20 0.92 0.00 0.00 -1.92 -0.30 103.07 102.88 2dk9 h GLY 4 Ca -0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 47.33 46.92 2dk9 h GLY 4 CO 0.04 0.05 -1.77 -0.91 0.00 0.00 0.00 176.54 173.96 2dk9 h THR 5 N 0.17 0.89 -0.21 4.70 1.35 -1.54 -3.34 112.91 114.92 2dk9 h THR 5 Ca 0.12 -2.55 -0.04 0.00 -0.55 0.00 0.00 66.41 63.39 2dk9 h THR 5 Cb 0.28 2.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 2dk9 h THR 5 CO -0.02 0.83 -0.06 -0.61 -0.25 0.00 0.00 175.52 175.42 2dk9 h GLN 6 N 0.08 0.32 -0.26 4.72 5.75 -1.19 -2.17 115.11 122.35 2dk9 h GLN 6 Ca -0.34 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.09 2dk9 h GLN 6 Cb 2.06 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.55 2dk9 h GLN 6 CO 0.14 0.39 0.12 0.93 -2.65 0.00 0.00 178.83 177.76 2dk9 h GLU 7 N 0.31 0.38 -0.06 1.69 5.08 -1.19 0.30 114.58 121.08 2dk9 h GLU 7 Ca 0.07 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2dk9 h GLU 7 Cb 0.30 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2dk9 h GLU 7 CO 0.01 0.39 -0.50 1.05 -1.00 0.00 0.00 179.01 178.96 2dk9 h GLU 8 N 0.28 0.15 -0.01 2.33 4.11 -1.63 -1.49 114.58 118.32 2dk9 h GLU 8 Ca 0.09 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2dk9 h GLU 8 Cb 0.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2dk9 h GLU 8 CO -0.01 0.63 -0.13 -0.07 0.07 0.00 0.00 179.01 179.50 2dk9 h LEU 9 N 0.12 0.14 -1.13 3.06 3.38 -1.15 -2.57 115.31 117.16 2dk9 h LEU 9 Ca 0.00 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.22 2dk9 h LEU 9 Cb 0.93 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2dk9 h LEU 9 CO 0.07 0.82 0.11 -0.07 0.09 0.00 0.00 178.44 179.47 2dk9 h LEU 10 N -0.54 0.67 -0.36 1.67 3.38 -0.43 -0.96 115.31 118.75 2dk9 h LEU 10 Ca -0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2dk9 h LEU 10 Cb 0.83 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2dk9 h LEU 10 CO 0.03 0.67 0.02 0.03 0.09 0.00 0.00 178.44 179.27 2dk9 h ARG 11 N 0.71 0.62 -0.34 1.13 2.47 -1.32 -1.72 114.38 115.91 2dk9 h ARG 11 Ca 0.16 -0.19 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 2dk9 h ARG 11 Cb 0.27 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2dk9 h ARG 11 CO -0.00 0.72 -0.24 2.35 0.56 0.00 0.00 179.97 183.36 2dk9 h TRP 12 N 0.44 0.77 -0.31 3.04 7.01 -1.19 -2.52 115.95 123.19 2dk9 h TRP 12 Ca 0.10 -0.17 -0.04 0.00 2.11 0.00 0.00 58.89 60.89 2dk9 h TRP 12 Cb 0.43 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 2dk9 h TRP 12 CO 0.03 0.86 0.05 0.00 -2.79 0.00 0.00 178.44 176.59 2dk9 h GLN 14 N 0.34 0.83 -0.27 0.00 3.07 -1.26 -0.60 115.11 117.22 2dk9 h GLN 14 Ca 0.09 -0.15 -0.04 0.00 0.09 0.00 0.00 58.65 58.63 2dk9 h GLN 14 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.77 2dk9 h GLN 14 CO 0.01 0.73 -0.00 1.49 0.09 0.00 0.00 178.83 181.14 2dk9 h GLU 15 N 0.81 0.47 -0.26 0.06 4.81 -1.29 -1.46 114.58 117.73 2dk9 h GLU 15 Ca 0.18 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2dk9 h GLU 15 Cb 0.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2dk9 h GLU 15 CO -0.01 0.64 -0.22 1.96 -0.73 0.00 0.00 179.01 180.66 2dk9 h GLN 16 N 0.25 0.48 -0.22 1.92 1.08 -1.09 -2.30 115.11 115.23 2dk9 h GLN 16 Ca 0.08 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2dk9 h GLN 16 Cb 0.43 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2dk9 h GLN 16 CO 0.01 0.67 0.00 2.41 -0.95 0.00 0.00 178.83 180.97 2dk9 n THR 17 N -4.15 0.29 -2.76 -0.54 -1.04 -0.25 -4.80 114.28 101.03 2dk9 n THR 17 Ca -0.00 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 2dk9 n THR 17 Cb 0.38 0.22 -0.03 0.00 -1.82 0.00 0.00 70.33 69.08 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 -1.71 3.43 0.00 2.41 0.00 -0.56 -4.07 121.76 121.26 2dk9 s ALA 18 Ca 0.25 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2dk9 s ALA 18 Cb 0.13 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2dk9 s ALA 18 CO 0.19 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2dk9 n GLY 19 N 3.18 1.80 3.67 0.00 0.00 -1.26 -5.03 105.19 107.55 2dk9 n GLY 19 Ca 0.07 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.09 -0.68 1.61 1.51 -1.26 -4.92 117.35 116.70 2dk9 s TYR 20 Ca 0.00 1.21 -0.06 0.00 -1.01 0.00 0.00 57.07 57.21 2dk9 s TYR 20 Cb 0.00 -3.41 -0.10 0.00 -0.11 0.00 0.00 41.96 38.34 2dk9 s TYR 20 CO 0.00 -1.21 2.39 -0.35 -1.11 0.00 0.00 175.55 175.26 2dk9 n PRO 21 N 6.14 2.02 0.00 -1.71 -0.04 -1.26 -3.03 135.00 137.13 2dk9 n PRO 21 Ca 0.12 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 2dk9 n PRO 21 Cb 0.46 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2dk9 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dk9 n GLY 22 N 3.34 0.00 2.72 0.55 0.00 -1.26 -5.15 105.19 105.39 2dk9 n GLY 22 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.10 -0.18 1.61 1.01 -1.17 -5.13 120.40 116.64 2dk9 s VAL 23 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 2dk9 s VAL 23 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2dk9 s VAL 23 CO 0.00 0.21 -0.03 -1.00 0.00 0.00 0.00 175.10 174.28 2dk9 s HIS 24 N 1.99 3.00 -0.49 5.22 3.76 -1.26 -4.90 115.29 122.61 2dk9 s HIS 24 Ca 0.04 -0.52 0.04 0.00 -0.15 0.00 0.00 55.06 54.46 2dk9 s HIS 24 Cb -0.12 -2.03 0.13 0.00 1.11 0.00 0.00 32.58 31.67 2dk9 s HIS 24 CO -0.04 -0.24 0.23 0.08 -0.85 0.00 0.00 174.74 173.93 2dk9 s VAL 25 N 0.84 2.34 0.00 -0.90 1.01 -1.26 -4.82 120.40 117.61 2dk9 s VAL 25 Ca -0.01 -3.08 0.02 0.00 0.00 0.00 0.00 61.98 58.91 2dk9 s VAL 25 Cb -0.14 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2dk9 s VAL 25 CO 0.02 -0.79 0.83 -1.20 0.00 0.00 0.00 175.10 173.95 2dk9 n SER 26 N 3.31 0.02 -3.92 3.32 7.64 -1.26 -4.40 113.62 118.33 2dk9 n SER 26 Ca 0.05 -1.63 -0.14 0.00 1.01 0.00 0.00 58.87 58.17 2dk9 n SER 26 Cb 0.33 -0.10 -0.14 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.71 0.30 -0.51 6.43 1.11 -1.26 -5.04 116.67 116.99 2dk9 s ASP 27 Ca 0.03 -0.07 -0.01 0.00 0.18 0.00 0.00 52.55 52.68 2dk9 s ASP 27 Cb 0.03 -0.03 0.41 0.00 1.07 0.00 0.00 42.92 44.40 2dk9 s ASP 27 CO -0.01 0.02 1.97 -0.11 1.18 0.00 0.00 175.17 178.21 2dk9 n LEU 28 N 2.95 7.02 0.00 1.23 7.94 -1.26 -4.06 117.00 130.82 2dk9 n LEU 28 Ca -0.13 -3.79 0.00 0.00 -1.11 0.00 0.00 56.01 50.98 2dk9 n LEU 28 Cb 0.59 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.58 2dk9 n LEU 28 CO 0.25 1.29 0.00 -1.20 -1.11 0.00 0.00 177.39 176.63 2dk9 n SER 29 N -0.56 0.00 -0.32 1.96 7.64 -1.26 -4.90 113.62 116.17 2dk9 n SER 29 Ca 0.51 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.43 2dk9 n SER 29 Cb 0.81 0.21 0.23 0.00 -1.01 0.00 0.00 64.21 64.45 2dk9 n SER 29 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dk9 h SER 30 N 0.00 0.94 -0.33 6.43 4.64 -1.90 -0.87 113.55 122.46 2dk9 h SER 30 Ca 0.00 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2dk9 h SER 30 Cb 0.00 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2dk9 h SER 30 CO 0.00 0.59 0.33 0.28 -0.87 0.00 0.00 176.83 177.16 2dk9 h SER 31 N 1.06 0.00 -0.36 4.97 0.02 -1.89 0.31 113.55 117.66 2dk9 h SER 31 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 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 -0.16 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.32 2dk9 n TRP 32 N -3.88 0.46 0.26 3.45 7.02 -0.35 -3.16 117.44 121.24 2dk9 n TRP 32 Ca 0.05 -0.26 -0.17 0.00 -1.02 0.00 0.00 57.50 56.11 2dk9 n TRP 32 Cb 0.49 -0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.29 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 3.99 -1.12 -0.05 6.99 0.00 -0.12 -2.16 119.26 126.79 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 0.91 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.40 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 -5.25 0.60 -0.74 0.00 5.68 -1.26 -4.52 116.55 111.07 2dk9 n ASP 34 Ca -0.11 -1.45 -0.06 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 0.95 0.12 0.12 6.12 0.00 -0.81 -4.56 105.19 107.12 2dk9 n GLY 35 Ca 0.16 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.03 0.37 -0.26 0.99 -0.00 -1.82 -1.38 115.31 113.19 2dk9 h LEU 36 Ca -0.15 -0.71 -0.00 0.00 -0.00 0.00 0.00 57.88 57.02 2dk9 h LEU 36 Cb 1.11 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 2dk9 h LEU 36 CO 0.17 1.03 0.15 0.00 -0.00 0.00 0.00 178.44 179.79 2dk9 h ALA 37 N 0.36 0.33 -0.27 1.53 0.00 -1.90 0.32 119.26 119.63 2dk9 h ALA 37 Ca -0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2dk9 h ALA 37 Cb 1.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2dk9 h ALA 37 CO 0.07 -0.15 -0.03 1.25 0.00 0.00 0.00 179.25 180.40 2dk9 h LEU 38 N 0.31 0.49 -0.56 0.00 6.46 -1.88 -2.55 115.31 117.59 2dk9 h LEU 38 Ca 0.09 -0.34 -0.04 0.00 -0.12 0.00 0.00 57.88 57.47 2dk9 h LEU 38 Cb 0.05 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2dk9 h LEU 38 CO -0.02 0.71 0.18 0.00 -0.62 0.00 0.00 178.44 178.70 2dk9 h ALA 40 N 1.04 1.22 0.05 0.00 0.00 -0.32 0.10 119.26 121.36 2dk9 h ALA 40 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2dk9 h ALA 40 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dk9 h ALA 40 CO -0.01 0.37 -0.02 -0.07 0.00 0.00 0.00 179.25 179.52 2dk9 h LEU 41 N 1.07 -0.06 -0.39 0.00 4.07 -1.20 -2.40 115.31 116.39 2dk9 h LEU 41 Ca 0.38 -0.37 0.03 0.00 0.08 0.00 0.00 57.88 57.99 2dk9 h LEU 41 Cb 0.10 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 2dk9 h LEU 41 CO -0.15 0.35 0.19 0.58 -1.08 0.00 0.00 178.44 178.33 2dk9 h VAL 42 N -0.48 0.97 -0.84 1.22 2.07 -1.06 -1.98 116.25 116.15 2dk9 h VAL 42 Ca -0.01 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.42 2dk9 h VAL 42 Cb 0.43 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2dk9 h VAL 42 CO 0.01 0.07 0.55 0.22 0.02 0.00 0.00 177.57 178.44 2dk9 h TYR 43 N 0.39 0.99 -0.64 1.57 3.20 -0.83 0.14 116.97 121.79 2dk9 h TYR 43 Ca 0.17 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2dk9 h TYR 43 Cb 0.08 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 2dk9 h TYR 43 CO -0.10 0.56 0.25 -0.09 -1.64 0.00 0.00 178.16 177.13 2dk9 h ARG 44 N 1.01 0.94 0.06 1.82 1.12 -0.84 0.18 114.38 118.67 2dk9 h ARG 44 Ca 0.34 -0.16 -0.23 0.00 -1.11 0.00 0.00 59.98 58.82 2dk9 h ARG 44 Cb 0.09 -0.16 0.02 0.00 -0.01 0.00 0.00 29.97 29.91 2dk9 h ARG 44 CO -0.11 0.78 -0.94 -0.07 -3.11 0.00 0.00 179.97 176.52 2dk9 h LEU 45 N 0.92 0.72 -6.49 3.80 -0.00 -0.79 -3.40 115.31 110.08 2dk9 h LEU 45 Ca 0.22 -0.81 -0.60 0.00 -0.00 0.00 0.00 57.88 56.70 2dk9 h LEU 45 Cb 0.19 -0.22 -0.40 0.00 -0.00 0.00 0.00 40.66 40.23 2dk9 h LEU 45 CO -0.02 1.44 -0.83 0.00 -0.00 0.00 0.00 178.44 179.04 2dk9 n GLN 46 N -3.99 1.07 0.24 1.13 6.02 0.39 -4.94 117.38 117.30 2dk9 n GLN 46 Ca -0.12 -3.77 0.09 0.00 -0.01 0.00 0.00 57.00 53.18 2dk9 n GLN 46 Cb 0.84 -1.85 0.59 0.00 1.02 0.00 0.00 30.24 30.84 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 5.08 0.00 -0.16 -1.09 0.13 -0.87 -1.96 132.00 133.14 2dk9 h PRO 47 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2dk9 h PRO 47 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2dk9 h PRO 47 CO 0.55 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 2dk9 n GLY 48 N -0.71 0.47 1.24 1.56 0.00 -1.26 -4.01 105.19 102.47 2dk9 n GLY 48 Ca -0.02 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 0.52 1.20 -4.04 0.99 4.77 -0.77 -5.09 117.00 114.58 2dk9 n LEU 49 Ca 0.17 -2.23 -0.09 0.00 -0.03 0.00 0.00 56.01 53.83 2dk9 n LEU 49 Cb 0.39 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 2dk9 n LEU 49 CO 0.14 0.62 -0.19 -0.76 -1.33 0.00 0.00 177.39 175.87 2dk9 s LEU 50 N -0.57 1.59 -0.42 2.23 2.01 -0.97 -4.99 118.68 117.57 2dk9 s LEU 50 Ca 0.31 -0.99 0.08 0.00 0.01 0.00 0.00 54.13 53.54 2dk9 s LEU 50 Cb 0.35 0.66 0.29 0.00 0.01 0.00 0.00 46.19 47.50 2dk9 s LEU 50 CO -0.13 -0.76 0.77 -0.62 1.01 0.00 0.00 176.35 176.62 2dk9 n GLU 51 N -0.09 0.86 0.04 1.70 -0.58 -1.26 -4.96 120.64 116.35 2dk9 n GLU 51 Ca -0.09 -2.72 -0.11 0.00 -0.42 0.00 0.00 57.16 53.82 2dk9 n GLU 51 Cb 0.63 -1.38 -0.04 0.00 -0.57 0.00 0.00 31.44 30.08 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 3.51 -0.24 -0.59 3.49 0.13 -1.98 -1.45 132.00 134.87 2dk9 h PRO 52 Ca 0.00 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.32 2dk9 h PRO 52 Cb 0.98 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2dk9 h PRO 52 CO 0.38 -0.16 0.44 0.77 -0.23 0.00 0.00 178.00 179.20 2dk9 h SER 53 N -0.25 0.00 0.00 1.44 0.02 -1.97 1.03 113.55 113.83 2dk9 h SER 53 Ca 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2dk9 h SER 53 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2dk9 h SER 53 CO -0.18 0.00 -0.00 -0.08 -1.14 0.00 0.00 176.83 175.42 2dk9 h GLU 54 N 0.00 -0.01 -0.00 3.45 4.81 -1.70 -3.25 114.58 117.89 2dk9 h GLU 54 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2dk9 h GLU 54 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2dk9 h GLU 54 CO -0.00 0.57 -0.21 1.28 -0.73 0.00 0.00 179.01 179.92 2dk9 n LEU 55 N -4.82 0.23 -0.27 1.64 7.99 -0.65 -2.87 117.00 118.26 2dk9 n LEU 55 Ca -0.09 0.27 -0.01 0.00 -0.01 0.00 0.00 56.01 56.17 2dk9 n LEU 55 Cb 0.29 -0.38 0.18 0.00 -0.11 0.00 0.00 43.42 43.40 2dk9 n LEU 55 CO 0.33 0.06 1.22 -0.61 -1.51 0.00 0.00 177.39 176.88 2dk9 h GLN 56 N 0.04 1.11 0.00 3.23 4.15 0.10 -3.30 115.11 120.45 2dk9 h GLN 56 Ca 0.00 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 2dk9 h GLN 56 Cb 0.49 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2dk9 h GLN 56 CO 0.00 0.77 -1.27 0.41 -1.93 0.00 0.00 178.83 176.80 2dk9 n GLY 57 N -1.32 -0.22 0.44 2.39 0.00 -1.25 -4.64 105.19 100.59 2dk9 n GLY 57 Ca 0.09 -0.09 0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 0.30 0.00 0.99 4.07 -1.62 -3.45 115.31 115.60 2dk9 h LEU 58 Ca -0.07 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2dk9 h LEU 58 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2dk9 h LEU 58 CO 0.00 0.06 0.00 0.61 -1.08 0.00 0.00 178.44 178.04 2dk9 n GLY 59 N -1.57 3.18 0.07 0.83 0.00 -1.24 -4.96 105.19 101.51 2dk9 n GLY 59 Ca 0.24 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.04 -1.00 4.61 0.00 -1.80 -2.19 119.26 118.83 2dk9 h ALA 60 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2dk9 h ALA 60 Cb 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2dk9 h ALA 60 CO 0.00 -0.05 0.65 -0.07 0.00 0.00 0.00 179.25 179.78 2dk9 h LEU 61 N -0.98 1.08 -0.41 0.00 3.38 -1.92 -0.81 115.31 115.66 2dk9 h LEU 61 Ca -0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2dk9 h LEU 61 Cb 0.49 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2dk9 h LEU 61 CO 0.01 0.73 -0.45 -0.33 0.09 0.00 0.00 178.44 178.49 2dk9 h GLU 62 N 1.25 0.85 -0.49 1.13 5.08 -1.94 -1.81 114.58 118.65 2dk9 h GLU 62 Ca 0.40 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2dk9 h GLU 62 Cb 0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2dk9 h GLU 62 CO -0.13 1.11 0.16 0.00 -1.00 0.00 0.00 179.01 179.16 2dk9 h ALA 63 N 0.81 0.65 0.04 3.43 0.00 -0.77 0.33 119.26 123.74 2dk9 h ALA 63 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2dk9 h ALA 63 Cb 1.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2dk9 h ALA 63 CO 0.10 0.29 -0.02 1.15 0.00 0.00 0.00 179.25 180.78 2dk9 h THR 64 N 0.67 1.22 -0.50 0.00 2.02 -1.16 0.16 112.91 115.31 2dk9 h THR 64 Ca 0.16 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2dk9 h THR 64 Cb 0.26 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2dk9 h THR 64 CO -0.01 0.21 0.18 0.00 0.37 0.00 0.00 175.52 176.27 2dk9 h ALA 65 N 0.52 0.65 0.00 6.16 0.00 -1.30 0.31 119.26 125.61 2dk9 h ALA 65 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dk9 h ALA 65 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dk9 h ALA 65 CO 0.01 0.29 -0.00 2.35 0.00 0.00 0.00 179.25 181.90 2dk9 h TRP 66 N 0.67 -0.00 -0.77 0.00 7.01 -0.36 -0.71 115.95 121.79 2dk9 h TRP 66 Ca 0.16 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.11 2dk9 h TRP 66 Cb 0.24 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 2dk9 h TRP 66 CO 0.01 0.34 0.26 0.00 -2.79 0.00 0.00 178.44 176.26 2dk9 h ALA 67 N 0.65 1.01 -0.54 2.65 0.00 -0.64 -0.36 119.26 122.04 2dk9 h ALA 67 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2dk9 h ALA 67 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dk9 h ALA 67 CO 0.00 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.86 2dk9 h LEU 68 N 1.13 0.92 -0.07 0.00 3.38 -0.36 0.48 115.31 120.79 2dk9 h LEU 68 Ca 0.25 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2dk9 h LEU 68 Cb 0.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dk9 h LEU 68 CO -0.01 1.00 -0.04 0.11 0.09 0.00 0.00 178.44 179.59 2dk9 h LYS 69 N 0.82 0.15 -0.45 1.13 1.57 -0.91 -2.44 116.57 116.44 2dk9 h LYS 69 Ca 0.15 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2dk9 h LYS 69 Cb 0.53 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2dk9 h LYS 69 CO 0.03 0.54 -0.23 -0.39 -0.57 0.00 0.00 179.45 178.82 2dk9 h VAL 70 N -0.24 1.27 -0.72 0.50 -1.51 -1.05 -1.57 116.25 112.92 2dk9 h VAL 70 Ca 0.01 -1.39 0.08 0.00 -1.23 0.00 0.00 66.70 64.17 2dk9 h VAL 70 Cb 0.50 1.19 -0.07 0.00 -2.13 0.00 0.00 31.29 30.78 2dk9 h VAL 70 CO 0.01 0.48 0.39 0.00 -1.23 0.00 0.00 177.57 177.21 2dk9 h ALA 71 N 0.84 0.99 -0.29 5.19 0.00 -0.06 0.90 119.26 126.84 2dk9 h ALA 71 Ca 0.10 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2dk9 h ALA 71 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2dk9 h ALA 71 CO 0.07 0.02 -0.41 1.49 0.00 0.00 0.00 179.25 180.42 2dk9 h GLU 72 N 0.68 0.70 -0.27 0.00 4.81 -1.31 0.44 114.58 119.63 2dk9 h GLU 72 Ca 0.34 -0.37 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2dk9 h GLU 72 Cb 0.30 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2dk9 h GLU 72 CO -0.23 0.99 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.67 2dk9 h ASN 73 N 0.57 0.86 0.19 1.04 2.35 -0.16 0.66 115.58 121.09 2dk9 h ASN 73 Ca 0.04 -0.52 -0.27 0.00 -0.55 0.00 0.00 56.30 55.00 2dk9 h ASN 73 Cb 0.96 -0.25 0.03 0.00 0.05 0.00 0.00 38.32 39.11 2dk9 h ASN 73 CO 0.09 1.22 -1.22 -0.33 -1.65 0.00 0.00 177.43 175.54 2dk9 h GLU 74 N 0.53 0.40 0.03 0.81 3.07 0.79 -3.40 114.58 116.82 2dk9 h GLU 74 Ca 0.02 -0.68 -0.38 0.00 -0.50 0.00 0.00 59.36 57.81 2dk9 h GLU 74 Cb 1.05 0.25 -0.05 0.00 -0.84 0.00 0.00 28.75 29.16 2dk9 h GLU 74 CO 0.10 1.33 -2.28 -0.11 -1.40 0.00 0.00 179.01 176.65 2dk9 n LEU 75 N -3.90 2.64 0.00 1.33 0.00 0.15 -5.03 117.00 112.20 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 -0.95 0.00 0.00 0.00 0.00 0.00 43.42 43.43 2dk9 n LEU 75 CO 0.53 0.81 0.00 0.61 0.00 0.00 0.00 177.39 179.34 2dk9 n GLY 76 N 1.96 1.20 3.56 -3.96 0.00 0.23 -4.99 105.19 103.19 2dk9 n GLY 76 Ca -0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 5.12 0.12 -0.61 -1.09 -1.24 -4.96 121.20 116.54 2dk9 s ILE 77 Ca 0.00 0.24 -0.30 0.00 -2.23 0.00 0.00 60.65 58.36 2dk9 s ILE 77 Cb 0.00 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 2dk9 s ILE 77 CO 0.00 -0.08 1.17 -0.89 -1.23 0.00 0.00 174.94 173.90 2dk9 s THR 78 N 2.14 3.88 0.56 2.92 2.01 -1.26 -3.92 115.64 121.98 2dk9 s THR 78 Ca 0.15 1.48 -0.19 0.00 0.31 0.00 0.00 61.69 63.43 2dk9 s THR 78 Cb -0.16 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 2dk9 s THR 78 CO 0.12 0.19 0.92 -2.65 -0.69 0.00 0.00 174.62 172.50 2dk9 n PRO 79 N 3.12 0.94 -0.02 4.92 -0.02 -1.26 -4.95 135.00 137.73 2dk9 n PRO 79 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2dk9 n PRO 79 Cb 0.46 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.49 0.24 -4.19 -1.45 0.31 -1.26 -5.05 118.33 105.44 2dk9 n VAL 80 Ca 0.12 -0.23 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 2dk9 n VAL 80 Cb 0.46 -0.25 -0.10 0.00 -0.91 0.00 0.00 33.84 33.04 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 -2.34 0.88 0.57 2.52 1.01 -1.26 -5.03 120.40 116.75 2dk9 s VAL 81 Ca -0.03 -1.85 -0.16 0.00 0.00 0.00 0.00 61.98 59.94 2dk9 s VAL 81 Cb 0.03 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2dk9 s VAL 81 CO 0.30 -0.74 1.04 -0.55 0.00 0.00 0.00 175.10 175.15 2dk9 s SER 82 N -2.86 6.02 0.18 3.32 0.15 -1.26 -4.92 113.70 114.33 2dk9 s SER 82 Ca 0.10 1.75 -0.13 0.00 0.70 0.00 0.00 55.95 58.38 2dk9 s SER 82 Cb 0.02 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 61.89 2dk9 s SER 82 CO -0.02 -1.00 1.80 0.00 1.20 0.00 0.00 173.24 175.21 2dk9 h ALA 83 N 0.57 0.76 -0.69 5.45 0.00 -1.95 -1.60 119.26 121.80 2dk9 h ALA 83 Ca -0.47 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.42 2dk9 h ALA 83 Cb 1.21 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2dk9 h ALA 83 CO 0.59 0.27 0.37 1.96 0.00 0.00 0.00 179.25 182.43 2dk9 h GLN 84 N 0.81 0.63 -0.52 0.00 1.08 -1.95 0.57 115.11 115.74 2dk9 h GLN 84 Ca 0.21 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 2dk9 h GLN 84 Cb 0.03 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 2dk9 h GLN 84 CO -0.04 0.42 -0.16 0.00 -0.95 0.00 0.00 178.83 178.11 2dk9 h ALA 85 N 1.38 0.72 0.09 3.87 0.00 -1.87 -1.48 119.26 121.97 2dk9 h ALA 85 Ca 0.32 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dk9 h ALA 85 Cb 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 85 CO -0.22 0.67 -0.04 0.28 0.00 0.00 0.00 179.25 179.94 2dk9 h VAL 86 N 0.90 1.02 -0.32 0.00 2.07 -0.55 0.31 116.25 119.68 2dk9 h VAL 86 Ca 0.13 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2dk9 h VAL 86 Cb 0.74 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2dk9 h VAL 86 CO 0.06 0.10 0.03 0.58 0.02 0.00 0.00 177.57 178.36 2dk9 h VAL 87 N -0.31 1.17 0.00 2.57 2.07 -0.92 -1.90 116.25 118.93 2dk9 h VAL 87 Ca -0.01 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2dk9 h VAL 87 Cb 0.26 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2dk9 h VAL 87 CO 0.02 0.23 -0.27 0.00 0.02 0.00 0.00 177.57 177.56 2dk9 n ALA 88 N -2.48 2.66 -2.57 1.67 0.00 -0.56 -4.56 120.51 114.66 2dk9 n ALA 88 Ca 0.01 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 2dk9 n ALA 88 Cb 0.21 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.33 2.20 0.00 0.00 0.98 -4.90 105.19 104.52 2dk9 n GLY 89 Ca 0.05 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2dk9 n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk9 n SER 90 N -1.50 6.02 -2.80 1.61 3.41 -0.59 -4.61 113.62 115.16 2dk9 n SER 90 Ca -0.16 -3.74 -0.10 0.00 -0.26 0.00 0.00 58.87 54.62 2dk9 n SER 90 Cb 0.63 -0.87 0.03 0.00 -0.26 0.00 0.00 64.21 63.75 2dk9 n SER 90 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dk9 n ASP 91 N -0.98 -2.58 -0.23 4.04 9.92 -1.26 -5.00 116.55 120.47 2dk9 n ASP 91 Ca 0.59 -3.22 -0.07 0.00 -0.53 0.00 0.00 54.79 51.56 2dk9 n ASP 91 Cb 1.00 1.55 0.04 0.00 -0.64 0.00 0.00 41.12 43.07 2dk9 n ASP 91 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2dk9 h PRO 92 N 4.05 0.91 -0.42 -0.24 0.13 -1.91 0.46 132.00 134.97 2dk9 h PRO 92 Ca -0.12 -0.12 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 2dk9 h PRO 92 Cb 1.02 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 2dk9 h PRO 92 CO 0.33 0.71 0.02 -0.07 -0.23 0.00 0.00 178.00 178.76 2dk9 h LEU 93 N 0.88 0.64 0.04 1.56 4.07 -1.99 -1.69 115.31 118.81 2dk9 h LEU 93 Ca 0.22 -0.13 -0.28 0.00 0.08 0.00 0.00 57.88 57.77 2dk9 h LEU 93 Cb 0.09 -0.17 0.02 0.00 1.08 0.00 0.00 40.66 41.68 2dk9 h LEU 93 CO -0.03 0.70 -1.12 1.23 -1.08 0.00 0.00 178.44 178.13 2dk9 h GLY 94 N 0.92 0.75 0.96 0.83 0.00 -1.87 -2.49 103.07 102.16 2dk9 h GLY 94 Ca 0.13 -1.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.02 2dk9 h GLY 94 CO 0.01 1.24 0.12 -2.00 0.00 0.00 0.00 176.54 175.91 2dk9 h LEU 95 N 0.35 0.71 -0.46 3.11 5.85 -0.78 -1.74 115.31 122.35 2dk9 h LEU 95 Ca -0.15 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.23 2dk9 h LEU 95 Cb 1.78 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2dk9 h LEU 95 CO 0.22 0.76 -0.14 0.16 -0.34 0.00 0.00 178.44 179.09 2dk9 h ILE 96 N 0.63 1.27 -0.68 4.05 -0.00 -1.40 -2.55 117.51 118.83 2dk9 h ILE 96 Ca 0.15 -1.28 0.00 0.00 -0.00 0.00 0.00 64.86 63.73 2dk9 h ILE 96 Cb 0.32 1.13 -0.03 0.00 -0.00 0.00 0.00 36.82 38.24 2dk9 h ILE 96 CO 0.00 0.44 0.44 0.00 -0.00 0.00 0.00 178.15 179.03 2dk9 h ALA 97 N 0.87 0.87 -0.49 0.16 0.00 -1.31 -2.19 119.26 117.16 2dk9 h ALA 97 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dk9 h ALA 97 Cb 0.70 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2dk9 h ALA 97 CO 0.05 0.30 0.28 -0.92 0.00 0.00 0.00 179.25 178.96 2dk9 h TYR 98 N 0.93 0.67 -0.54 0.00 3.20 -1.22 -2.15 116.97 117.85 2dk9 h TYR 98 Ca 0.25 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.16 2dk9 h TYR 98 Cb -0.09 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 2dk9 h TYR 98 CO -0.02 0.49 0.36 -0.07 -1.64 0.00 0.00 178.16 177.28 2dk9 h LEU 99 N 0.66 0.47 -0.86 2.82 3.38 -1.07 -1.11 115.31 119.60 2dk9 h LEU 99 Ca 0.17 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2dk9 h LEU 99 Cb 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2dk9 h LEU 99 CO -0.03 0.31 0.10 0.28 0.09 0.00 0.00 178.44 179.20 2dk9 h SER 100 N 0.54 0.91 -0.46 -0.43 0.02 -0.78 -0.29 113.55 113.05 2dk9 h SER 100 Ca 0.23 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2dk9 h SER 100 Cb 0.23 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2dk9 h SER 100 CO -0.06 0.90 0.12 -0.74 -1.14 0.00 0.00 176.83 175.91 2dk9 h HIS 101 N 0.90 0.77 -0.38 3.45 6.17 -0.95 0.65 115.15 125.75 2dk9 h HIS 101 Ca 0.19 -0.09 -0.12 0.00 0.71 0.00 0.00 60.37 61.05 2dk9 h HIS 101 Cb 0.38 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.08 2dk9 h HIS 101 CO 0.02 0.70 -0.26 0.74 0.71 0.00 0.00 177.93 179.85 2dk9 h PHE 102 N 0.61 0.91 -0.24 5.26 0.04 -1.23 -1.86 116.94 120.43 2dk9 h PHE 102 Ca 0.15 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2dk9 h PHE 102 Cb 0.31 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 2dk9 h PHE 102 CO 0.02 0.97 -0.07 1.25 -0.60 0.00 0.00 178.31 179.88 2dk9 h HIS 103 N 0.68 0.53 -0.08 -0.55 2.76 -0.84 -2.28 115.15 115.36 2dk9 h HIS 103 Ca 0.09 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.09 2dk9 h HIS 103 Cb 0.78 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2dk9 h HIS 103 CO 0.04 0.70 -0.17 1.03 -1.30 0.00 0.00 177.93 178.23 2dk9 h SER 104 N 0.20 0.13 -0.09 3.26 0.87 -0.82 0.83 113.55 117.93 2dk9 h SER 104 Ca 0.06 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.43 2dk9 h SER 104 Cb 0.54 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2dk9 h SER 104 CO 0.03 0.31 -0.51 0.00 -0.53 0.00 0.00 176.83 176.13 2dk9 h ALA 105 N 1.70 0.66 0.06 6.23 0.00 -1.17 -2.80 119.26 123.94 2dk9 h ALA 105 Ca 0.02 -0.50 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 2dk9 h ALA 105 Cb 0.39 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2dk9 h ALA 105 CO 0.03 0.68 -1.63 0.74 0.00 0.00 0.00 179.25 179.07 2dk9 h PHE 106 N 0.52 0.23 -0.21 0.00 0.04 -0.98 0.47 116.94 117.01 2dk9 h PHE 106 Ca 0.02 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 2dk9 h PHE 106 Cb 1.07 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 2dk9 h PHE 106 CO 0.05 1.26 0.10 -0.22 -0.60 0.00 0.00 178.31 178.91 2dk9 h LYS 107 N 0.04 0.28 0.00 1.51 1.63 0.65 -3.35 116.57 117.33 2dk9 h LYS 107 Ca -0.27 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2dk9 h LYS 107 Cb 1.99 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.56 2dk9 h LYS 107 CO 0.11 0.22 -0.48 0.43 -3.45 0.00 0.00 179.45 176.28 2dk9 n SER 108 N -4.47 1.43 0.00 4.20 7.64 -1.06 -5.06 113.62 116.29 2dk9 n SER 108 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2dk9 n SER 108 Cb 0.10 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2dk9 n SER 108 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83