#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 4.50 2.75 3.03 0.00 -1.26 -5.14 105.19 109.07 2dk9 n GLY -7 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 2dk9 n GLY -7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dk9 s HIS -6 N -0.70 1.83 1.02 1.61 4.02 -1.26 -5.13 115.29 116.68 2dk9 s HIS -6 Ca 0.00 -1.82 -0.12 0.00 1.02 0.00 0.00 55.06 54.13 2dk9 s HIS -6 Cb 0.00 -1.79 0.20 0.00 -1.02 0.00 0.00 32.58 29.97 2dk9 s HIS -6 CO 0.00 -0.88 1.09 -3.38 1.02 0.00 0.00 174.74 172.59 2dk9 s HIS -5 N 1.55 2.05 -0.31 1.40 0.00 -1.26 -5.06 115.29 113.67 2dk9 s HIS -5 Ca 0.10 0.98 -0.00 0.00 -3.00 0.00 0.00 55.06 53.13 2dk9 s HIS -5 Cb -0.17 -3.26 0.13 0.00 -4.00 0.00 0.00 32.58 25.28 2dk9 s HIS -5 CO -0.24 -2.98 0.28 -3.38 -1.00 0.00 0.00 174.74 167.42 2dk9 s HIS -4 N -2.95 -0.23 0.21 0.38 0.00 -1.26 -5.15 115.29 106.30 2dk9 s HIS -4 Ca 0.66 -0.51 0.05 0.00 -3.00 0.00 0.00 55.06 52.26 2dk9 s HIS -4 Cb -0.19 -0.55 -0.03 0.00 -4.00 0.00 0.00 32.58 27.81 2dk9 s HIS -4 CO 0.58 -0.91 0.26 -1.58 -1.00 0.00 0.00 174.74 172.09 2dk9 s HIS -3 N 2.05 3.32 -0.28 0.38 5.65 -1.26 -5.12 115.29 120.03 2dk9 s HIS -3 Ca 0.11 -0.01 -0.19 0.00 0.25 0.00 0.00 55.06 55.22 2dk9 s HIS -3 Cb -0.15 -1.54 0.10 0.00 -1.18 0.00 0.00 32.58 29.81 2dk9 s HIS -3 CO -0.26 0.49 0.83 -3.38 -0.65 0.00 0.00 174.74 171.77 2dk9 s HIS -2 N -1.93 -0.79 0.07 3.88 -0.00 -1.26 -5.09 115.29 110.17 2dk9 s HIS -2 Ca 0.33 1.68 0.00 0.00 -0.00 0.00 0.00 55.06 57.07 2dk9 s HIS -2 Cb -0.09 0.45 0.00 0.00 -0.00 0.00 0.00 32.58 32.94 2dk9 s HIS -2 CO 0.27 -0.39 0.00 1.58 -0.00 0.00 0.00 174.74 176.20 2dk9 n HIS -1 N 3.53 -0.38 -3.83 0.38 -0.00 -1.26 -5.08 115.22 108.58 2dk9 n HIS -1 Ca -0.17 0.07 -0.37 0.00 -0.00 0.00 0.00 57.72 57.25 2dk9 n HIS -1 Cb 0.57 0.20 -0.06 0.00 -0.00 0.00 0.00 29.99 30.71 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 -1.39 3.51 0.00 1.57 1.00 -1.26 -4.69 119.30 118.04 2dk9 s MET 0 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 55.69 55.61 2dk9 s MET 0 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 34.83 31.65 2dk9 s MET 0 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 175.02 176.18 2dk9 n GLY 1 N 1.80 2.43 0.12 -0.03 0.00 -1.26 -4.95 105.19 103.31 2dk9 n GLY 1 Ca -0.18 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 1.70 0.08 1.61 7.64 -1.26 -3.91 113.62 119.48 2dk9 n SER 2 Ca 0.00 0.11 -0.08 0.00 1.01 0.00 0.00 58.87 59.91 2dk9 n SER 2 Cb 0.00 -0.43 0.01 0.00 -1.01 0.00 0.00 64.21 62.78 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 0.27 0.58 -0.60 -0.43 0.00 -1.93 -1.35 119.26 115.80 2dk9 h ALA 3 Ca -0.46 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 53.67 2dk9 h ALA 3 Cb 2.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2dk9 h ALA 3 CO 0.03 0.87 0.02 0.78 0.00 0.00 0.00 179.25 180.94 2dk9 h GLY 4 N 1.73 1.13 1.39 0.00 0.00 -1.93 -1.74 103.07 103.65 2dk9 h GLY 4 Ca -0.04 -0.81 -0.29 0.00 0.00 0.00 0.00 47.33 46.19 2dk9 h GLY 4 CO 0.13 0.74 -1.42 0.00 0.00 0.00 0.00 176.54 175.99 2dk9 h THR 5 N 0.96 1.29 -0.61 4.70 1.03 -1.67 -3.22 112.91 115.39 2dk9 h THR 5 Ca 0.17 -2.90 -0.01 0.00 -0.01 0.00 0.00 66.41 63.66 2dk9 h THR 5 Cb 0.53 2.83 -0.03 0.00 -1.07 0.00 0.00 68.15 70.42 2dk9 h THR 5 CO 0.03 0.84 0.33 1.56 -0.01 0.00 0.00 175.52 178.27 2dk9 h GLN 6 N 0.07 0.85 -0.44 0.00 4.20 -1.19 -0.74 115.11 117.86 2dk9 h GLN 6 Ca -0.20 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 2dk9 h GLN 6 Cb 2.00 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.60 2dk9 h GLN 6 CO 0.18 0.65 0.20 0.93 -0.67 0.00 0.00 178.83 180.12 2dk9 h GLU 7 N 0.83 0.65 -0.80 1.46 5.08 -1.43 -2.30 114.58 118.07 2dk9 h GLU 7 Ca 0.21 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2dk9 h GLU 7 Cb 0.05 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2dk9 h GLU 7 CO -0.03 0.57 0.32 0.93 -1.00 0.00 0.00 179.01 179.79 2dk9 h GLU 8 N 0.57 1.20 -0.90 2.33 4.39 -1.50 -2.47 114.58 118.19 2dk9 h GLU 8 Ca 0.15 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2dk9 h GLU 8 Cb 0.14 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 2dk9 h GLU 8 CO -0.02 0.97 0.60 -0.07 -1.16 0.00 0.00 179.01 179.33 2dk9 h LEU 9 N 1.16 1.03 -0.71 1.33 3.38 -0.87 -2.18 115.31 118.45 2dk9 h LEU 9 Ca 0.27 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2dk9 h LEU 9 Cb 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2dk9 h LEU 9 CO -0.02 0.74 0.27 -0.07 0.09 0.00 0.00 178.44 179.45 2dk9 h LEU 10 N 1.22 1.00 -0.90 1.67 -0.00 -1.05 -1.78 115.31 115.47 2dk9 h LEU 10 Ca 0.33 -0.18 0.01 0.00 -0.00 0.00 0.00 57.88 58.04 2dk9 h LEU 10 Cb -0.13 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 40.22 2dk9 h LEU 10 CO -0.08 0.92 0.59 0.03 -0.00 0.00 0.00 178.44 179.90 2dk9 h ARG 11 N 1.03 1.16 -0.43 1.13 2.47 -0.97 -0.51 114.38 118.27 2dk9 h ARG 11 Ca 0.24 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.78 2dk9 h ARG 11 Cb 0.24 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2dk9 h ARG 11 CO -0.02 0.77 -0.14 2.35 0.56 0.00 0.00 179.97 183.49 2dk9 h TRP 12 N 1.20 0.96 -0.33 3.04 7.01 -1.10 -2.40 115.95 124.34 2dk9 h TRP 12 Ca 0.33 -0.22 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 2dk9 h TRP 12 Cb -0.11 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.70 2dk9 h TRP 12 CO -0.01 0.98 0.10 0.00 -2.79 0.00 0.00 178.44 176.72 2dk9 h GLN 14 N 0.38 0.64 -0.26 0.00 3.07 -1.09 0.26 115.11 118.11 2dk9 h GLN 14 Ca 0.11 -0.08 -0.04 0.00 0.09 0.00 0.00 58.65 58.72 2dk9 h GLN 14 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 2dk9 h GLN 14 CO -0.00 0.53 0.00 1.49 0.09 0.00 0.00 178.83 180.93 2dk9 h GLU 15 N 0.63 0.46 0.00 0.06 4.81 -1.17 -1.47 114.58 117.91 2dk9 h GLU 15 Ca 0.16 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2dk9 h GLU 15 Cb 0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2dk9 h GLU 15 CO -0.02 0.62 -0.57 1.96 -0.73 0.00 0.00 179.01 180.28 2dk9 h GLN 16 N 0.24 0.00 -0.26 1.92 1.08 -1.06 -2.92 115.11 114.11 2dk9 h GLN 16 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2dk9 h GLN 16 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dk9 h GLN 16 CO 0.01 0.57 0.00 0.25 -0.95 0.00 0.00 178.83 178.71 2dk9 n THR 17 N -3.57 0.34 -2.73 -0.54 -2.24 0.89 -4.73 114.28 101.70 2dk9 n THR 17 Ca -0.00 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 2dk9 n THR 17 Cb 0.64 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 2dk9 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dk9 s ALA 18 N -1.66 3.41 0.00 6.98 0.00 -0.57 -4.08 121.76 125.85 2dk9 s ALA 18 Ca 0.27 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2dk9 s ALA 18 Cb 0.14 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2dk9 s ALA 18 CO 0.20 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2dk9 n GLY 19 N 3.15 1.08 3.64 0.00 0.00 -1.26 -5.05 105.19 106.75 2dk9 n GLY 19 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 3.31 -0.55 1.61 1.51 -1.26 -4.99 117.35 116.98 2dk9 s TYR 20 Ca 0.00 0.77 -0.26 0.00 -1.01 0.00 0.00 57.07 56.57 2dk9 s TYR 20 Cb 0.00 -2.76 -0.07 0.00 -0.11 0.00 0.00 41.96 39.02 2dk9 s TYR 20 CO 0.00 -0.24 2.36 -2.14 -1.11 0.00 0.00 175.55 174.43 2dk9 s PRO 21 N 2.15 2.06 0.00 -1.71 0.02 -1.26 -1.19 135.00 135.07 2dk9 s PRO 21 Ca 0.24 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.46 2dk9 s PRO 21 Cb -0.16 -4.61 0.00 0.00 0.02 0.00 0.00 34.50 29.76 2dk9 s PRO 21 CO 0.09 -3.41 0.00 0.41 -0.33 0.00 0.00 177.00 173.76 2dk9 n GLY 22 N 6.11 1.24 3.66 0.52 0.00 -1.26 -5.10 105.19 110.37 2dk9 n GLY 22 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.73 4.55 -0.47 1.61 0.11 -0.34 -4.95 120.40 119.18 2dk9 s VAL 23 Ca 0.00 1.86 0.08 0.00 -2.93 0.00 0.00 61.98 61.00 2dk9 s VAL 23 Cb 0.00 -4.20 0.30 0.00 -1.53 0.00 0.00 36.38 30.95 2dk9 s VAL 23 CO 0.00 -0.14 0.72 1.41 -3.33 0.00 0.00 175.10 173.75 2dk9 n HIS 24 N 6.25 1.42 -1.93 1.54 8.25 -1.26 -4.94 115.22 124.55 2dk9 n HIS 24 Ca 0.12 -3.84 -0.28 0.00 -0.26 0.00 0.00 57.72 53.46 2dk9 n HIS 24 Cb 0.46 -0.44 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 2dk9 n HIS 24 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dk9 s VAL 25 N -2.49 3.32 0.00 1.59 1.01 -1.26 -4.51 120.40 118.06 2dk9 s VAL 25 Ca 0.40 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2dk9 s VAL 25 Cb 0.25 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2dk9 s VAL 25 CO -0.09 -0.71 0.83 -0.24 0.00 0.00 0.00 175.10 174.90 2dk9 n SER 26 N 14.63 0.02 -3.94 3.32 2.88 -1.26 -4.20 113.62 125.06 2dk9 n SER 26 Ca 0.36 -1.65 -0.12 0.00 -1.33 0.00 0.00 58.87 56.12 2dk9 n SER 26 Cb 0.48 -0.12 -0.13 0.00 -0.75 0.00 0.00 64.21 63.69 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 -0.70 0.32 -0.54 -3.46 1.01 -1.26 -5.04 116.67 107.00 2dk9 s ASP 27 Ca 0.01 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.06 2dk9 s ASP 27 Cb 0.02 0.01 0.41 0.00 1.01 0.00 0.00 42.92 44.37 2dk9 s ASP 27 CO -0.01 -0.08 1.99 0.18 0.21 0.00 0.00 175.17 177.47 2dk9 n LEU 28 N 2.51 7.19 0.00 1.23 4.77 -1.26 -4.09 117.00 127.35 2dk9 n LEU 28 Ca -0.16 -3.90 0.00 0.00 -0.03 0.00 0.00 56.01 51.92 2dk9 n LEU 28 Cb 0.58 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2dk9 n LEU 28 CO 0.24 1.33 0.00 -1.20 -1.33 0.00 0.00 177.39 176.43 2dk9 n SER 29 N -0.62 0.00 -0.22 -1.43 7.64 -1.26 -4.87 113.62 112.86 2dk9 n SER 29 Ca 0.53 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.35 2dk9 n SER 29 Cb 0.78 0.15 0.04 0.00 -1.01 0.00 0.00 64.21 64.16 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 0.76 -0.33 6.43 0.87 -1.93 -2.03 113.55 117.31 2dk9 h SER 30 Ca 0.00 -0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.58 2dk9 h SER 30 Cb 0.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2dk9 h SER 30 CO 0.00 0.61 0.38 0.28 -0.53 0.00 0.00 176.83 177.57 2dk9 h SER 31 N 0.84 0.00 -0.03 6.23 0.02 -1.92 0.38 113.55 119.08 2dk9 h SER 31 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2dk9 h SER 31 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dk9 h SER 31 CO -0.04 0.00 -0.08 0.79 -1.14 0.00 0.00 176.83 176.36 2dk9 n TRP 32 N -3.70 0.00 0.25 3.45 7.02 -0.80 -3.76 117.44 119.90 2dk9 n TRP 32 Ca 0.05 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.36 2dk9 n TRP 32 Cb 0.54 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.33 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 4.18 -1.12 0.00 6.99 0.00 0.22 -1.81 119.26 127.73 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 0.88 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.44 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 -5.49 0.00 -1.12 0.00 5.68 -1.26 -4.53 116.55 109.84 2dk9 n ASP 34 Ca -0.11 -0.44 -0.08 0.00 -0.50 0.00 0.00 54.79 53.66 2dk9 n ASP 34 Cb 0.45 -0.18 0.01 0.00 -1.14 0.00 0.00 41.12 40.25 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 1.12 0.19 0.17 6.12 0.00 -0.68 -4.57 105.19 107.53 2dk9 n GLY 35 Ca 0.17 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.34 0.67 -0.22 0.99 -0.00 -1.82 -1.81 115.31 112.78 2dk9 h LEU 36 Ca -0.19 -0.71 -0.01 0.00 -0.00 0.00 0.00 57.88 56.97 2dk9 h LEU 36 Cb 1.13 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2dk9 h LEU 36 CO 0.21 1.29 0.10 0.00 -0.00 0.00 0.00 178.44 180.04 2dk9 h ALA 37 N 0.39 0.28 -0.25 1.53 0.00 -1.93 0.29 119.26 119.58 2dk9 h ALA 37 Ca -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2dk9 h ALA 37 Cb 1.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2dk9 h ALA 37 CO 0.14 -0.16 0.01 -0.07 0.00 0.00 0.00 179.25 179.16 2dk9 h LEU 38 N 0.22 0.42 -0.34 0.00 3.38 -1.90 -2.57 115.31 114.52 2dk9 h LEU 38 Ca 0.07 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2dk9 h LEU 38 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2dk9 h LEU 38 CO -0.01 0.62 0.19 0.00 0.09 0.00 0.00 178.44 179.33 2dk9 h ALA 40 N 1.06 1.42 0.22 0.00 0.00 -0.37 0.67 119.26 122.25 2dk9 h ALA 40 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dk9 h ALA 40 Cb 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2dk9 h ALA 40 CO -0.02 0.24 -0.10 -0.07 0.00 0.00 0.00 179.25 179.29 2dk9 h LEU 41 N 0.98 -0.25 -0.08 0.00 3.38 -1.12 -1.61 115.31 116.62 2dk9 h LEU 41 Ca 0.46 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.34 2dk9 h LEU 41 Cb 0.41 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2dk9 h LEU 41 CO -0.25 -0.04 0.02 0.58 0.09 0.00 0.00 178.44 178.84 2dk9 h VAL 42 N -0.44 0.97 -0.90 1.22 2.07 -0.99 -2.37 116.25 115.81 2dk9 h VAL 42 Ca -0.03 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.58 2dk9 h VAL 42 Cb 0.34 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 2dk9 h VAL 42 CO 0.05 0.01 0.58 0.22 0.02 0.00 0.00 177.57 178.45 2dk9 h TYR 43 N 0.05 0.94 -0.63 1.57 3.20 -0.87 0.16 116.97 121.40 2dk9 h TYR 43 Ca 0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2dk9 h TYR 43 Cb 0.03 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 2dk9 h TYR 43 CO -0.10 0.41 0.27 -0.09 -1.64 0.00 0.00 178.16 177.00 2dk9 h ARG 44 N 0.85 0.92 -0.05 1.82 1.12 -0.79 0.75 114.38 118.99 2dk9 h ARG 44 Ca 0.43 -0.15 -0.19 0.00 -1.11 0.00 0.00 59.98 58.95 2dk9 h ARG 44 Cb 0.49 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.29 2dk9 h ARG 44 CO -0.19 0.76 -0.78 -0.07 -3.11 0.00 0.00 179.97 176.59 2dk9 h LEU 45 N 0.87 0.45 -5.66 3.80 -0.00 -0.83 -3.40 115.31 110.53 2dk9 h LEU 45 Ca 0.21 -0.31 -0.34 0.00 -0.00 0.00 0.00 57.88 57.44 2dk9 h LEU 45 Cb 0.17 -0.13 -0.26 0.00 -0.00 0.00 0.00 40.66 40.44 2dk9 h LEU 45 CO -0.02 1.06 -0.70 -1.10 -0.00 0.00 0.00 178.44 177.68 2dk9 s GLN 46 N -3.51 0.97 0.18 1.13 -0.21 0.46 -5.00 119.66 113.68 2dk9 s GLN 46 Ca -0.05 -1.45 -0.05 0.00 0.02 0.00 0.00 55.36 53.82 2dk9 s GLN 46 Cb 0.10 -0.63 0.09 0.00 1.00 0.00 0.00 33.01 33.56 2dk9 s GLN 46 CO 0.84 -1.34 1.51 -1.00 -2.12 0.00 0.00 175.29 173.18 2dk9 h PRO 47 N 5.44 0.67 -0.38 2.91 0.13 0.31 -3.12 132.00 137.96 2dk9 h PRO 47 Ca 0.14 -0.39 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 2dk9 h PRO 47 Cb 1.03 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2dk9 h PRO 47 CO 0.17 1.00 0.10 0.78 -0.23 0.00 0.00 178.00 179.82 2dk9 h GLY 48 N 0.96 0.60 -2.93 1.56 0.00 -1.95 -1.88 103.07 99.42 2dk9 h GLY 48 Ca 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 2dk9 h GLY 48 CO 0.10 0.29 0.05 1.04 0.00 0.00 0.00 176.54 178.01 2dk9 n LEU 49 N -4.34 4.61 -4.12 3.11 7.99 -1.19 -4.92 117.00 118.14 2dk9 n LEU 49 Ca 0.02 -2.35 -0.11 0.00 -0.01 0.00 0.00 56.01 53.57 2dk9 n LEU 49 Cb 0.18 -0.65 -0.09 0.00 -0.11 0.00 0.00 43.42 42.76 2dk9 n LEU 49 CO 0.38 0.56 -0.15 -0.76 -1.51 0.00 0.00 177.39 175.91 2dk9 s LEU 50 N -2.06 1.12 -0.38 2.23 2.01 -0.71 -5.02 118.68 115.87 2dk9 s LEU 50 Ca 0.40 -1.21 0.09 0.00 0.01 0.00 0.00 54.13 53.43 2dk9 s LEU 50 Cb 0.31 0.70 0.37 0.00 0.01 0.00 0.00 46.19 47.58 2dk9 s LEU 50 CO 0.11 -0.87 1.37 -0.62 1.01 0.00 0.00 176.35 177.35 2dk9 n GLU 51 N -0.24 1.16 0.23 1.70 1.02 -1.26 -4.90 120.64 118.35 2dk9 n GLU 51 Ca -0.01 -1.63 0.16 0.00 -0.02 0.00 0.00 57.16 55.66 2dk9 n GLU 51 Cb 0.64 0.05 0.84 0.00 -0.02 0.00 0.00 31.44 32.95 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 1.75 0.00 -0.84 3.49 0.13 -1.94 -2.57 132.00 132.02 2dk9 h PRO 52 Ca -0.32 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.91 2dk9 h PRO 52 Cb 1.29 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 2dk9 h PRO 52 CO -0.10 0.00 0.48 0.77 -0.23 0.00 0.00 178.00 178.92 2dk9 h SER 53 N 0.00 0.69 0.01 1.44 0.02 -1.99 1.07 113.55 114.78 2dk9 h SER 53 Ca 0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2dk9 h SER 53 Cb 0.01 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2dk9 h SER 53 CO 0.00 0.38 -0.00 -0.08 -1.14 0.00 0.00 176.83 175.99 2dk9 h GLU 54 N 0.80 -0.01 0.00 3.45 4.81 -1.90 -3.15 114.58 118.58 2dk9 h GLU 54 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2dk9 h GLU 54 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2dk9 h GLU 54 CO -0.26 0.57 0.00 1.28 -0.73 0.00 0.00 179.01 179.88 2dk9 n LEU 55 N -4.81 0.00 0.18 1.64 4.77 -0.98 -2.41 117.00 115.39 2dk9 n LEU 55 Ca -0.09 0.49 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 2dk9 n LEU 55 Cb 0.29 -0.49 0.56 0.00 -2.33 0.00 0.00 43.42 41.45 2dk9 n LEU 55 CO 0.33 -0.20 1.07 -0.61 -1.33 0.00 0.00 177.39 176.66 2dk9 h GLN 56 N 0.00 0.16 0.00 3.23 4.15 0.12 -3.18 115.11 119.59 2dk9 h GLN 56 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2dk9 h GLN 56 Cb 0.29 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2dk9 h GLN 56 CO 0.00 0.13 0.00 0.41 -1.93 0.00 0.00 178.83 177.44 2dk9 n GLY 57 N -1.45 -0.22 0.09 2.39 0.00 -1.19 -4.76 105.19 100.06 2dk9 n GLY 57 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.47 -3.48 115.31 115.42 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 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2dk9 h LEU 58 CO 0.00 0.71 0.00 0.61 -1.08 0.00 0.00 178.44 178.68 2dk9 n GLY 59 N 1.41 1.68 0.19 0.83 0.00 -1.20 -5.01 105.19 103.09 2dk9 n GLY 59 Ca -0.10 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.39 -0.75 4.61 0.00 -1.81 -2.43 119.26 118.49 2dk9 h ALA 60 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dk9 h ALA 60 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2dk9 h ALA 60 CO 0.00 -0.36 0.45 -0.07 0.00 0.00 0.00 179.25 179.27 2dk9 h LEU 61 N -1.10 0.90 -0.27 0.00 3.38 -1.88 -1.05 115.31 115.29 2dk9 h LEU 61 Ca -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2dk9 h LEU 61 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2dk9 h LEU 61 CO 0.07 0.69 0.13 -0.08 0.09 0.00 0.00 178.44 179.34 2dk9 h GLU 62 N 1.04 0.39 -0.52 1.13 4.81 -1.94 0.23 114.58 119.71 2dk9 h GLU 62 Ca 0.27 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2dk9 h GLU 62 Cb -0.04 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2dk9 h GLU 62 CO -0.05 0.39 0.06 0.00 -0.73 0.00 0.00 179.01 178.67 2dk9 h ALA 63 N 0.99 0.69 0.05 2.92 0.00 -1.08 -1.11 119.26 121.72 2dk9 h ALA 63 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dk9 h ALA 63 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dk9 h ALA 63 CO -0.01 0.46 -0.02 1.79 0.00 0.00 0.00 179.25 181.46 2dk9 h THR 64 N 0.76 1.19 -0.69 0.00 1.35 -1.06 -0.25 112.91 114.21 2dk9 h THR 64 Ca 0.15 -0.81 0.04 0.00 -0.55 0.00 0.00 66.41 65.24 2dk9 h THR 64 Cb 0.45 1.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.55 2dk9 h THR 64 CO 0.02 0.20 0.42 0.00 -0.25 0.00 0.00 175.52 175.91 2dk9 h ALA 65 N 0.50 0.90 -0.12 6.62 0.00 -0.55 0.16 119.26 126.79 2dk9 h ALA 65 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2dk9 h ALA 65 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dk9 h ALA 65 CO 0.01 0.16 -0.01 2.35 0.00 0.00 0.00 179.25 181.76 2dk9 h TRP 66 N 0.80 0.24 -0.33 0.00 7.01 -1.19 -0.89 115.95 121.59 2dk9 h TRP 66 Ca 0.28 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 2dk9 h TRP 66 Cb 0.07 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 2dk9 h TRP 66 CO -0.05 0.49 0.20 0.00 -2.79 0.00 0.00 178.44 176.28 2dk9 h ALA 67 N 0.72 0.42 -0.30 2.65 0.00 -0.76 0.14 119.26 122.13 2dk9 h ALA 67 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2dk9 h ALA 67 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2dk9 h ALA 67 CO 0.01 -0.08 0.10 -0.07 0.00 0.00 0.00 179.25 179.20 2dk9 h LEU 68 N 0.42 0.43 -0.13 0.00 3.38 -0.69 0.49 115.31 119.21 2dk9 h LEU 68 Ca 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2dk9 h LEU 68 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2dk9 h LEU 68 CO -0.02 0.51 0.04 0.50 0.09 0.00 0.00 178.44 179.55 2dk9 h LYS 69 N 0.32 0.21 -0.40 1.13 3.11 -1.02 -2.53 116.57 117.39 2dk9 h LYS 69 Ca 0.10 -0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 57.76 2dk9 h LYS 69 Cb 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 2dk9 h LYS 69 CO -0.00 0.36 -0.26 0.28 -2.81 0.00 0.00 179.45 177.01 2dk9 h VAL 70 N 0.02 1.27 -0.51 2.00 2.07 -0.67 -1.88 116.25 118.55 2dk9 h VAL 70 Ca 0.04 -1.41 0.07 0.00 0.82 0.00 0.00 66.70 66.22 2dk9 h VAL 70 Cb 0.24 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2dk9 h VAL 70 CO -0.00 0.47 0.19 0.00 0.02 0.00 0.00 177.57 178.25 2dk9 h ALA 71 N 0.97 0.63 -0.26 1.67 0.00 0.08 0.93 119.26 123.28 2dk9 h ALA 71 Ca 0.09 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2dk9 h ALA 71 Cb 0.81 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2dk9 h ALA 71 CO 0.07 -0.20 -0.45 1.05 0.00 0.00 0.00 179.25 179.71 2dk9 h GLU 72 N 0.37 0.67 -0.36 0.00 4.11 -1.38 0.41 114.58 118.40 2dk9 h GLU 72 Ca 0.25 -0.37 -0.13 0.00 0.07 0.00 0.00 59.36 59.17 2dk9 h GLU 72 Cb 0.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2dk9 h GLU 72 CO -0.25 0.99 -0.30 -0.97 0.07 0.00 0.00 179.01 178.56 2dk9 h ASN 73 N 0.54 0.88 0.19 3.06 -0.73 -0.45 0.42 115.58 119.49 2dk9 h ASN 73 Ca 0.03 -0.45 -0.26 0.00 1.87 0.00 0.00 56.30 57.49 2dk9 h ASN 73 Cb 1.00 -0.25 0.02 0.00 0.27 0.00 0.00 38.32 39.36 2dk9 h ASN 73 CO 0.09 1.15 -1.20 -0.33 -0.37 0.00 0.00 177.43 176.77 2dk9 h GLU 74 N 0.63 0.39 0.00 6.67 3.07 0.88 -3.42 114.58 122.81 2dk9 h GLU 74 Ca 0.06 -0.67 -0.29 0.00 -0.50 0.00 0.00 59.36 57.96 2dk9 h GLU 74 Cb 0.87 0.25 -0.04 0.00 -0.84 0.00 0.00 28.75 28.99 2dk9 h GLU 74 CO 0.08 1.32 -1.94 1.28 -1.40 0.00 0.00 179.01 178.34 2dk9 n LEU 75 N -3.92 1.95 0.00 1.33 4.32 0.14 -5.05 117.00 115.77 2dk9 n LEU 75 Ca -0.17 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 2dk9 n LEU 75 Cb 0.95 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2dk9 n LEU 75 CO 0.52 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 2dk9 n GLY 76 N 1.34 1.81 3.72 -0.72 0.00 0.15 -4.99 105.19 106.50 2dk9 n GLY 76 Ca -0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 4.91 -0.27 -0.61 -1.09 -1.26 -4.97 121.20 115.91 2dk9 s ILE 77 Ca 0.00 1.80 -0.29 0.00 -2.23 0.00 0.00 60.65 59.93 2dk9 s ILE 77 Cb 0.00 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 2dk9 s ILE 77 CO 0.00 0.22 1.39 -0.89 -1.23 0.00 0.00 174.94 174.43 2dk9 s THR 78 N 0.81 4.01 0.62 2.92 2.01 -1.26 -4.41 115.64 120.34 2dk9 s THR 78 Ca 0.45 1.15 -0.19 0.00 0.31 0.00 0.00 61.69 63.41 2dk9 s THR 78 Cb -0.20 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 2dk9 s THR 78 CO 0.24 -0.42 1.20 -2.65 -0.69 0.00 0.00 174.62 172.30 2dk9 n PRO 79 N 7.40 1.14 -0.36 4.92 -0.02 -1.26 -4.95 135.00 141.86 2dk9 n PRO 79 Ca 0.16 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2dk9 n PRO 79 Cb 0.46 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.71 0.00 -3.78 -1.45 0.31 -1.26 -5.10 118.33 105.34 2dk9 n VAL 80 Ca 0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.38 2dk9 n VAL 80 Cb 0.47 0.59 -0.06 0.00 -0.91 0.00 0.00 33.84 33.93 2dk9 n VAL 80 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2dk9 s VAL 81 N 0.00 0.11 0.11 2.52 -7.23 -1.26 -4.86 120.40 109.78 2dk9 s VAL 81 Ca 0.00 -0.95 0.07 0.00 -1.81 0.00 0.00 61.98 59.29 2dk9 s VAL 81 Cb 0.00 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2dk9 s VAL 81 CO 0.00 -0.49 -0.08 -0.55 -0.31 0.00 0.00 175.10 173.67 2dk9 s SER 82 N -2.85 4.48 0.20 4.85 0.15 -1.26 -5.03 113.70 114.23 2dk9 s SER 82 Ca 0.05 -0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.21 2dk9 s SER 82 Cb 0.03 -0.88 0.13 0.00 -1.71 0.00 0.00 66.02 63.59 2dk9 s SER 82 CO -0.11 0.17 1.86 0.00 1.20 0.00 0.00 173.24 176.36 2dk9 h ALA 83 N 3.51 0.84 -0.62 5.45 0.00 -1.95 -1.03 119.26 125.47 2dk9 h ALA 83 Ca -0.49 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2dk9 h ALA 83 Cb 1.17 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2dk9 h ALA 83 CO 0.53 0.25 0.32 1.96 0.00 0.00 0.00 179.25 182.31 2dk9 h GLN 84 N 0.88 0.57 -0.39 0.00 7.50 -1.97 0.19 115.11 121.88 2dk9 h GLN 84 Ca 0.25 -0.03 -0.13 0.00 0.50 0.00 0.00 58.65 59.23 2dk9 h GLN 84 Cb -0.08 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.31 2dk9 h GLN 84 CO -0.06 0.38 -0.28 0.00 -1.50 0.00 0.00 178.83 177.37 2dk9 h ALA 85 N 1.34 0.77 0.07 3.87 0.00 -1.86 -1.72 119.26 121.74 2dk9 h ALA 85 Ca 0.28 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dk9 h ALA 85 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dk9 h ALA 85 CO -0.20 0.65 -0.04 0.28 0.00 0.00 0.00 179.25 179.95 2dk9 h VAL 86 N 0.71 1.13 -0.10 0.00 2.07 -0.50 0.36 116.25 119.92 2dk9 h VAL 86 Ca 0.08 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2dk9 h VAL 86 Cb 0.82 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2dk9 h VAL 86 CO 0.07 0.18 -0.08 0.58 0.02 0.00 0.00 177.57 178.34 2dk9 h VAL 87 N -0.43 1.12 0.00 2.57 2.07 -0.68 -1.58 116.25 119.31 2dk9 h VAL 87 Ca -0.01 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2dk9 h VAL 87 Cb 0.37 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2dk9 h VAL 87 CO 0.02 0.16 -0.35 0.00 0.02 0.00 0.00 177.57 177.41 2dk9 n ALA 88 N -2.50 2.76 -2.68 1.67 0.00 -0.65 -4.75 120.51 114.35 2dk9 n ALA 88 Ca -0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 2dk9 n ALA 88 Cb 0.20 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.51 2.17 0.00 0.00 0.08 -4.88 105.19 103.43 2dk9 n GLY 89 Ca 0.05 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2dk9 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk9 n SER 90 N -2.18 5.67 -2.91 1.61 2.88 -0.99 -4.73 113.62 112.98 2dk9 n SER 90 Ca -0.17 -3.76 -0.13 0.00 -1.33 0.00 0.00 58.87 53.48 2dk9 n SER 90 Cb 0.65 -0.53 0.04 0.00 -0.75 0.00 0.00 64.21 63.61 2dk9 n SER 90 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2dk9 n ASP 91 N -0.73 -1.27 -0.23 -3.46 2.03 -1.26 -4.99 116.55 106.64 2dk9 n ASP 91 Ca 0.48 -3.38 -0.07 0.00 0.52 0.00 0.00 54.79 52.35 2dk9 n ASP 91 Cb 0.84 0.97 0.04 0.00 -0.72 0.00 0.00 41.12 42.24 2dk9 n ASP 91 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dk9 h PRO 92 N 3.19 0.90 -0.99 -0.67 0.13 -1.89 -2.47 132.00 130.20 2dk9 h PRO 92 Ca -0.03 -0.12 0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2dk9 h PRO 92 Cb 1.04 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.94 2dk9 h PRO 92 CO 0.29 0.71 0.64 -0.07 -0.23 0.00 0.00 178.00 179.34 2dk9 h LEU 93 N 0.87 1.07 -0.73 1.56 3.38 -2.00 -2.10 115.31 117.35 2dk9 h LEU 93 Ca 0.22 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 2dk9 h LEU 93 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2dk9 h LEU 93 CO -0.03 0.73 -0.18 1.23 0.09 0.00 0.00 178.44 180.27 2dk9 h GLY 94 N 1.24 0.84 1.01 0.83 0.00 -1.84 -2.41 103.07 102.74 2dk9 h GLY 94 Ca 0.40 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2dk9 h GLY 94 CO -0.13 0.63 0.46 1.41 0.00 0.00 0.00 176.54 178.90 2dk9 h LEU 95 N 0.68 0.90 -0.33 3.11 4.07 -0.94 0.19 115.31 122.99 2dk9 h LEU 95 Ca 0.10 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 2dk9 h LEU 95 Cb 0.68 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2dk9 h LEU 95 CO 0.05 0.70 -0.04 0.40 -1.08 0.00 0.00 178.44 178.47 2dk9 h ILE 96 N 1.03 1.27 -0.62 1.22 1.08 -1.33 0.36 117.51 120.52 2dk9 h ILE 96 Ca 0.27 -1.04 -0.09 0.00 -0.39 0.00 0.00 64.86 63.60 2dk9 h ILE 96 Cb -0.04 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 2dk9 h ILE 96 CO -0.05 0.34 0.02 0.00 -0.69 0.00 0.00 178.15 177.77 2dk9 h ALA 97 N 0.83 0.87 -0.10 1.87 0.00 -1.15 -1.60 119.26 119.97 2dk9 h ALA 97 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2dk9 h ALA 97 Cb 0.51 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dk9 h ALA 97 CO 0.02 0.67 -0.07 -0.92 0.00 0.00 0.00 179.25 178.96 2dk9 h TYR 98 N 0.98 0.26 -0.42 0.00 5.03 -0.54 -2.99 116.97 119.29 2dk9 h TYR 98 Ca 0.18 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.43 2dk9 h TYR 98 Cb 0.53 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 2dk9 h TYR 98 CO 0.04 0.61 0.28 -0.07 -1.32 0.00 0.00 178.16 177.69 2dk9 h LEU 99 N -0.16 0.47 -1.09 2.82 -0.00 -0.88 -1.39 115.31 115.08 2dk9 h LEU 99 Ca 0.02 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2dk9 h LEU 99 Cb 0.55 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 2dk9 h LEU 99 CO 0.02 0.34 0.19 -1.28 -0.00 0.00 0.00 178.44 177.70 2dk9 h SER 100 N 0.55 0.77 -0.01 -0.43 0.87 -1.20 0.89 113.55 114.99 2dk9 h SER 100 Ca 0.16 -0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 60.36 2dk9 h SER 100 Cb -0.03 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2dk9 h SER 100 CO -0.04 0.72 -0.92 -0.74 -0.53 0.00 0.00 176.83 175.32 2dk9 h HIS 101 N 0.82 1.00 -0.36 2.24 -0.00 -1.15 -2.69 115.15 115.00 2dk9 h HIS 101 Ca 0.19 -0.50 -0.08 0.00 -0.00 0.00 0.00 60.37 59.98 2dk9 h HIS 101 Cb 0.22 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 2dk9 h HIS 101 CO 0.01 1.33 -0.09 0.74 -0.00 0.00 0.00 177.93 179.92 2dk9 h PHE 102 N 0.43 0.78 -0.17 5.26 -1.00 -1.03 -2.31 116.94 118.91 2dk9 h PHE 102 Ca -0.09 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.52 2dk9 h PHE 102 Cb 1.56 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.92 2dk9 h PHE 102 CO 0.09 0.85 0.10 1.25 -1.61 0.00 0.00 178.31 179.00 2dk9 h HIS 103 N 0.49 0.23 -0.67 -0.55 2.76 -0.89 0.30 115.15 116.82 2dk9 h HIS 103 Ca 0.09 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2dk9 h HIS 103 Cb 0.60 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.44 2dk9 h HIS 103 CO 0.05 0.19 0.41 0.77 -1.30 0.00 0.00 177.93 178.04 2dk9 h SER 104 N 0.20 0.64 -0.11 3.26 0.02 -1.45 -0.55 113.55 115.56 2dk9 h SER 104 Ca 0.06 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.86 2dk9 h SER 104 Cb 0.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2dk9 h SER 104 CO -0.01 0.43 -0.49 0.00 -1.14 0.00 0.00 176.83 175.62 2dk9 h ALA 105 N 1.31 0.67 0.00 3.77 0.00 -1.15 -2.97 119.26 120.90 2dk9 h ALA 105 Ca 0.28 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2dk9 h ALA 105 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2dk9 h ALA 105 CO -0.13 0.68 -0.22 0.74 0.00 0.00 0.00 179.25 180.31 2dk9 h PHE 106 N 0.53 0.00 0.17 0.00 -1.00 0.20 0.15 116.94 116.99 2dk9 h PHE 106 Ca 0.02 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.81 2dk9 h PHE 106 Cb 1.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.59 2dk9 h PHE 106 CO 0.05 0.22 -0.18 0.87 -1.61 0.00 0.00 178.31 177.67 2dk9 h LYS 107 N 0.00 -0.37 0.04 1.51 1.79 -0.94 -3.08 116.57 115.52 2dk9 h LYS 107 Ca -0.00 0.03 -0.26 0.00 -2.18 0.00 0.00 60.65 58.24 2dk9 h LYS 107 Cb 0.46 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 2dk9 h LYS 107 CO 0.03 -0.25 -1.31 1.03 -1.08 0.00 0.00 179.45 177.87 2dk9 h SER 108 N -0.39 0.14 -0.00 0.86 0.87 -1.62 -3.52 113.55 109.89 2dk9 h SER 108 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2dk9 h SER 108 Cb 0.37 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2dk9 h SER 108 CO -0.05 1.15 0.00 0.80 -0.53 0.00 0.00 176.83 178.20