#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 0.86 3.12 -5.12 0.00 -1.26 -5.08 105.19 97.72 2dk9 n GLY -7 Ca 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 44.03 2dk9 n GLY -7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dk9 s HIS -6 N -1.41 -1.64 0.94 1.61 5.04 -1.26 -5.16 115.29 113.41 2dk9 s HIS -6 Ca 0.00 1.30 -0.10 0.00 -1.54 0.00 0.00 55.06 54.72 2dk9 s HIS -6 Cb 0.00 0.38 0.16 0.00 0.04 0.00 0.00 32.58 33.16 2dk9 s HIS -6 CO 0.00 -0.97 1.13 -1.01 -2.34 0.00 0.00 174.74 171.55 2dk9 s HIS -5 N 2.81 1.65 0.03 3.88 3.76 -1.26 -4.79 115.29 121.37 2dk9 s HIS -5 Ca 0.15 1.71 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 2dk9 s HIS -5 Cb -0.13 -3.30 0.00 0.00 1.11 0.00 0.00 32.58 30.27 2dk9 s HIS -5 CO -0.23 -2.88 0.00 1.58 -0.85 0.00 0.00 174.74 172.36 2dk9 n HIS -4 N -4.27 -2.13 -1.45 1.40 -0.00 -1.26 -5.03 115.22 102.48 2dk9 n HIS -4 Ca 0.11 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 2dk9 n HIS -4 Cb 0.52 -0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2dk9 n HIS -4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -3 N -2.16 -4.00 0.08 1.57 -0.00 -1.26 -5.06 115.22 104.39 2dk9 n HIS -3 Ca 0.00 2.13 0.00 0.00 -0.00 0.00 0.00 57.72 59.85 2dk9 n HIS -3 Cb 0.06 -3.30 0.00 0.00 -0.00 0.00 0.00 29.99 26.76 2dk9 n HIS -3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dk9 n HIS -2 N -0.89 -1.39 -4.34 1.57 8.25 -1.26 -5.14 115.22 112.02 2dk9 n HIS -2 Ca 0.00 0.25 -0.18 0.00 -0.26 0.00 0.00 57.72 57.53 2dk9 n HIS -2 Cb 0.00 0.48 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 2dk9 n HIS -2 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dk9 s HIS -1 N -1.61 1.62 -0.24 4.41 0.09 -1.26 -4.99 115.29 113.31 2dk9 s HIS -1 Ca 0.00 -0.70 -0.07 0.00 -0.00 0.00 0.00 55.06 54.30 2dk9 s HIS -1 Cb 0.00 -0.84 0.03 0.00 -0.00 0.00 0.00 32.58 31.77 2dk9 s HIS -1 CO 0.00 0.21 0.13 -1.33 -0.00 0.00 0.00 174.74 173.75 2dk9 n MET 0 N -0.38 -4.03 -1.48 1.40 0.00 -1.26 -5.02 117.12 106.35 2dk9 n MET 0 Ca -0.08 3.11 -0.02 0.00 0.00 0.00 0.00 57.70 60.71 2dk9 n MET 0 Cb 0.62 -5.16 0.02 0.00 0.00 0.00 0.00 33.22 28.69 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 1.20 0.31 1.12 3.03 0.00 -1.26 -4.94 105.19 104.66 2dk9 n GLY 1 Ca -0.22 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.43 0.44 -0.01 1.61 7.64 -1.26 -4.66 113.62 116.95 2dk9 n SER 2 Ca -0.12 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.68 2dk9 n SER 2 Cb 0.60 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 2dk9 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dk9 h ALA 3 N 0.00 0.73 0.00 -0.43 0.00 -1.98 -3.00 119.26 114.58 2dk9 h ALA 3 Ca 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 54.91 53.31 2dk9 h ALA 3 Cb 0.34 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2dk9 h ALA 3 CO 0.00 1.56 -0.98 0.78 0.00 0.00 0.00 179.25 180.60 2dk9 h GLY 4 N 3.38 0.00 0.62 0.00 0.00 -1.92 -3.08 103.07 102.08 2dk9 h GLY 4 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.80 2dk9 h GLY 4 CO 0.08 0.00 -1.26 -0.91 0.00 0.00 0.00 176.54 174.45 2dk9 h THR 5 N 0.00 1.16 -0.23 4.70 1.35 -1.83 -3.30 112.91 114.76 2dk9 h THR 5 Ca -0.07 -2.45 -0.04 0.00 -0.55 0.00 0.00 66.41 63.30 2dk9 h THR 5 Cb 1.62 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 70.88 2dk9 h THR 5 CO 0.08 0.71 -0.03 -0.61 -0.25 0.00 0.00 175.52 175.42 2dk9 h GLN 6 N -0.30 0.35 -0.26 4.72 4.15 -1.67 -2.47 115.11 119.63 2dk9 h GLN 6 Ca -0.26 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 2dk9 h GLN 6 Cb 1.75 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.37 2dk9 h GLN 6 CO 0.09 0.41 0.12 0.93 -1.93 0.00 0.00 178.83 178.45 2dk9 h GLU 7 N 0.34 0.38 -0.09 1.69 4.39 -1.66 -1.79 114.58 117.83 2dk9 h GLU 7 Ca 0.08 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2dk9 h GLU 7 Cb 0.29 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2dk9 h GLU 7 CO 0.01 0.39 -0.28 1.05 -1.16 0.00 0.00 179.01 179.02 2dk9 h GLU 8 N 0.28 0.17 -0.09 2.33 4.11 -1.58 -2.49 114.58 117.30 2dk9 h GLU 8 Ca 0.09 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 2dk9 h GLU 8 Cb 0.14 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2dk9 h GLU 8 CO -0.01 0.44 -0.00 1.25 0.07 0.00 0.00 179.01 180.76 2dk9 h LEU 9 N 0.15 0.16 -1.36 3.06 5.85 -1.11 -2.48 115.31 119.58 2dk9 h LEU 9 Ca 0.02 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2dk9 h LEU 9 Cb 0.58 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2dk9 h LEU 9 CO 0.04 0.44 0.17 -0.07 -0.34 0.00 0.00 178.44 178.68 2dk9 h LEU 10 N -0.12 0.55 -0.67 2.25 3.38 -1.22 -2.03 115.31 117.44 2dk9 h LEU 10 Ca 0.03 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2dk9 h LEU 10 Cb 0.36 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2dk9 h LEU 10 CO 0.01 0.50 0.18 0.03 0.09 0.00 0.00 178.44 179.24 2dk9 h ARG 11 N 0.60 1.07 -0.39 1.13 2.47 -1.31 -1.48 114.38 116.46 2dk9 h ARG 11 Ca 0.15 -0.25 -0.09 0.00 -1.26 0.00 0.00 59.98 58.53 2dk9 h ARG 11 Cb 0.12 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2dk9 h ARG 11 CO -0.01 0.94 -0.12 2.35 0.56 0.00 0.00 179.97 183.68 2dk9 h TRP 12 N 1.00 0.87 -0.39 3.04 7.01 -0.97 -2.17 115.95 124.34 2dk9 h TRP 12 Ca 0.21 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 2dk9 h TRP 12 Cb 0.34 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 2dk9 h TRP 12 CO 0.03 0.92 0.18 0.00 -2.79 0.00 0.00 178.44 176.77 2dk9 h GLN 14 N 0.49 1.17 -0.26 0.00 4.15 -1.24 0.78 115.11 120.20 2dk9 h GLN 14 Ca 0.13 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2dk9 h GLN 14 Cb 0.14 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2dk9 h GLN 14 CO -0.01 0.89 -0.00 1.49 -1.93 0.00 0.00 178.83 179.27 2dk9 h GLU 15 N 1.16 0.46 0.00 1.69 4.81 -1.15 -2.27 114.58 119.28 2dk9 h GLU 15 Ca 0.28 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2dk9 h GLU 15 Cb 0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2dk9 h GLU 15 CO -0.04 0.63 -0.34 0.37 -0.73 0.00 0.00 179.01 178.90 2dk9 h GLN 16 N 0.24 0.00 -0.24 1.92 5.75 -0.90 -2.11 115.11 119.77 2dk9 h GLN 16 Ca 0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2dk9 h GLN 16 Cb 0.42 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2dk9 h GLN 16 CO 0.01 0.34 0.00 2.41 -2.65 0.00 0.00 178.83 178.95 2dk9 n THR 17 N -4.03 0.31 -2.76 2.39 -1.04 0.25 -4.82 114.28 104.59 2dk9 n THR 17 Ca -0.02 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.21 2dk9 n THR 17 Cb 0.39 0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 69.11 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 3.19 0.00 2.41 0.00 -0.80 -4.24 121.76 120.63 2dk9 s ALA 18 Ca 0.25 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2dk9 s ALA 18 Cb 0.13 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2dk9 s ALA 18 CO 0.19 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2dk9 n GLY 19 N 2.93 0.91 3.64 0.00 0.00 -1.26 -5.06 105.19 106.35 2dk9 n GLY 19 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 3.32 -0.56 1.61 1.51 -1.26 -4.96 117.35 117.01 2dk9 s TYR 20 Ca 0.00 0.84 -0.08 0.00 -1.01 0.00 0.00 57.07 56.82 2dk9 s TYR 20 Cb 0.00 -2.81 -0.08 0.00 -0.11 0.00 0.00 41.96 38.96 2dk9 s TYR 20 CO 0.00 -0.26 1.72 -2.30 -1.11 0.00 0.00 175.55 173.60 2dk9 n PRO 21 N 5.44 1.24 0.00 -1.71 -0.02 -1.26 -2.63 135.00 136.06 2dk9 n PRO 21 Ca -0.01 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.27 2dk9 n PRO 21 Cb 0.49 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2dk9 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dk9 n GLY 22 N 4.04 0.00 3.09 -1.23 0.00 -1.26 -5.15 105.19 104.68 2dk9 n GLY 22 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.86 -0.35 1.61 0.11 -1.08 -5.09 120.40 117.45 2dk9 s VAL 23 Ca 0.00 -0.82 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 2dk9 s VAL 23 Cb 0.00 -1.70 0.06 0.00 -1.53 0.00 0.00 36.38 33.21 2dk9 s VAL 23 CO 0.00 0.51 0.12 -1.00 -3.33 0.00 0.00 175.10 171.40 2dk9 s HIS 24 N 1.31 3.31 -0.61 1.54 3.76 -1.26 -4.99 115.29 118.35 2dk9 s HIS 24 Ca 0.03 -1.66 -0.02 0.00 -0.15 0.00 0.00 55.06 53.26 2dk9 s HIS 24 Cb -0.13 -2.47 0.16 0.00 1.11 0.00 0.00 32.58 31.24 2dk9 s HIS 24 CO -0.11 -0.80 0.42 0.08 -0.85 0.00 0.00 174.74 173.49 2dk9 s VAL 25 N 1.34 3.60 0.00 -0.90 1.01 -1.26 -4.76 120.40 119.43 2dk9 s VAL 25 Ca -0.00 -2.96 0.00 0.00 0.00 0.00 0.00 61.98 59.02 2dk9 s VAL 25 Cb -0.21 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.82 2dk9 s VAL 25 CO 0.01 -0.86 0.76 -0.24 0.00 0.00 0.00 175.10 174.76 2dk9 n SER 26 N 3.49 -0.00 -3.92 3.32 2.88 -1.26 -4.49 113.62 113.63 2dk9 n SER 26 Ca 0.07 -1.51 -0.13 0.00 -1.33 0.00 0.00 58.87 55.97 2dk9 n SER 26 Cb 0.37 -0.10 -0.14 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.53 0.28 -0.46 -3.46 1.01 -1.26 -5.04 116.67 107.21 2dk9 s ASP 27 Ca 0.01 -0.13 -0.00 0.00 0.71 0.00 0.00 52.55 53.13 2dk9 s ASP 27 Cb 0.01 -0.00 0.39 0.00 1.01 0.00 0.00 42.92 44.32 2dk9 s ASP 27 CO -0.00 -0.03 1.93 0.18 0.21 0.00 0.00 175.17 177.46 2dk9 n LEU 28 N 2.73 6.76 0.00 1.23 4.77 -1.26 -3.95 117.00 127.28 2dk9 n LEU 28 Ca -0.15 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.22 2dk9 n LEU 28 Cb 0.58 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2dk9 n LEU 28 CO 0.25 1.23 0.00 -0.24 -1.33 0.00 0.00 177.39 177.30 2dk9 n SER 29 N -0.44 0.00 0.32 -1.43 2.88 -1.26 -4.92 113.62 108.76 2dk9 n SER 29 Ca 0.47 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 58.21 2dk9 n SER 29 Cb 0.84 0.11 1.06 0.00 -0.75 0.00 0.00 64.21 65.47 2dk9 n SER 29 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dk9 h SER 30 N 0.00 0.00 0.63 -3.46 0.87 -1.82 -0.09 113.55 109.68 2dk9 h SER 30 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2dk9 h SER 30 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2dk9 h SER 30 CO 0.00 0.00 -0.19 -1.28 -0.53 0.00 0.00 176.83 174.83 2dk9 h SER 31 N 0.00 0.00 -0.39 6.23 0.87 -1.88 -2.56 113.55 115.82 2dk9 h SER 31 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2dk9 h SER 31 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2dk9 h SER 31 CO -0.00 0.19 0.00 0.79 -0.53 0.00 0.00 176.83 177.28 2dk9 n TRP 32 N -3.53 1.05 0.31 2.24 7.02 -0.05 -3.72 117.44 120.76 2dk9 n TRP 32 Ca -0.01 -0.72 -0.18 0.00 -1.02 0.00 0.00 57.50 55.57 2dk9 n TRP 32 Cb 0.34 -0.25 -0.10 0.00 -2.42 0.00 0.00 31.31 28.88 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 2.52 -1.17 -0.15 6.99 0.00 -1.40 -2.26 119.26 123.80 2dk9 h ALA 33 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2dk9 h ALA 33 Cb 1.34 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2dk9 h ALA 33 CO 0.20 -1.19 0.00 -0.40 0.00 0.00 0.00 179.25 177.86 2dk9 n ASP 34 N -5.49 1.16 -0.71 0.00 5.68 -1.26 -4.34 116.55 111.59 2dk9 n ASP 34 Ca -0.12 -1.73 -0.06 0.00 -0.50 0.00 0.00 54.79 52.37 2dk9 n ASP 34 Cb 0.46 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.34 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 0.98 0.18 0.17 6.12 0.00 -0.85 -4.59 105.19 107.20 2dk9 n GLY 35 Ca 0.13 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 2dk9 n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dk9 h LEU 36 N 0.00 0.56 -0.13 0.99 7.12 -1.82 -1.91 115.31 120.12 2dk9 h LEU 36 Ca -0.15 -0.46 -0.04 0.00 0.13 0.00 0.00 57.88 57.36 2dk9 h LEU 36 Cb 1.04 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.01 2dk9 h LEU 36 CO 0.18 0.90 -0.08 0.00 -0.13 0.00 0.00 178.44 179.31 2dk9 h ALA 37 N 0.68 0.19 -0.30 1.25 0.00 -1.92 0.15 119.26 119.32 2dk9 h ALA 37 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2dk9 h ALA 37 Cb 0.72 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2dk9 h ALA 37 CO 0.05 -0.00 0.16 -0.07 0.00 0.00 0.00 179.25 179.39 2dk9 h LEU 38 N -0.07 0.38 -0.37 0.00 3.38 -1.90 -1.61 115.31 115.12 2dk9 h LEU 38 Ca 0.03 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2dk9 h LEU 38 Cb 0.57 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2dk9 h LEU 38 CO 0.02 0.37 -0.58 0.00 0.09 0.00 0.00 178.44 178.34 2dk9 h ALA 40 N 0.79 1.48 0.07 0.00 0.00 -0.52 0.25 119.26 121.33 2dk9 h ALA 40 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dk9 h ALA 40 Cb 1.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dk9 h ALA 40 CO 0.12 0.41 -0.03 -0.07 0.00 0.00 0.00 179.25 179.68 2dk9 h LEU 41 N 1.05 -0.08 -0.59 0.00 3.38 -1.22 -2.46 115.31 115.39 2dk9 h LEU 41 Ca 0.36 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2dk9 h LEU 41 Cb 0.09 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2dk9 h LEU 41 CO -0.12 0.41 0.37 0.58 0.09 0.00 0.00 178.44 179.77 2dk9 h VAL 42 N -0.59 1.09 -0.81 1.22 2.07 -1.15 -2.06 116.25 116.01 2dk9 h VAL 42 Ca -0.01 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2dk9 h VAL 42 Cb 0.50 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2dk9 h VAL 42 CO 0.02 0.13 0.54 0.22 0.02 0.00 0.00 177.57 178.50 2dk9 h TYR 43 N 0.73 0.99 -0.73 1.57 3.20 -0.55 0.22 116.97 122.41 2dk9 h TYR 43 Ca 0.23 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 2dk9 h TYR 43 Cb -0.01 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 2dk9 h TYR 43 CO -0.05 0.60 0.31 0.00 -1.64 0.00 0.00 178.16 177.38 2dk9 h ARG 44 N 1.05 1.07 -0.02 1.82 2.47 -0.89 0.60 114.38 120.48 2dk9 h ARG 44 Ca 0.31 -0.18 -0.23 0.00 -1.26 0.00 0.00 59.98 58.62 2dk9 h ARG 44 Cb -0.03 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.11 2dk9 h ARG 44 CO -0.08 0.87 -0.94 -0.07 0.56 0.00 0.00 179.97 180.30 2dk9 h LEU 45 N 1.04 0.69 -6.23 3.04 -0.00 -0.95 -3.40 115.31 109.50 2dk9 h LEU 45 Ca 0.25 -0.53 -0.57 0.00 -0.00 0.00 0.00 57.88 57.03 2dk9 h LEU 45 Cb 0.18 -0.21 -0.37 0.00 -0.00 0.00 0.00 40.66 40.25 2dk9 h LEU 45 CO -0.02 1.33 -0.99 1.67 -0.00 0.00 0.00 178.44 180.42 2dk9 n GLN 46 N -3.81 0.31 0.18 1.13 -0.06 0.72 -4.96 117.38 110.89 2dk9 n GLN 46 Ca -0.08 -3.13 0.14 0.00 -2.00 0.00 0.00 57.00 51.92 2dk9 n GLN 46 Cb 0.83 -1.56 0.57 0.00 -4.06 0.00 0.00 30.24 26.02 2dk9 n GLN 46 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2dk9 h PRO 47 N 5.24 0.00 0.00 3.69 0.13 -0.00 -2.64 132.00 138.42 2dk9 h PRO 47 Ca 0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2dk9 h PRO 47 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2dk9 h PRO 47 CO 0.38 0.00 -0.79 0.78 -0.23 0.00 0.00 178.00 178.13 2dk9 h GLY 48 N 1.92 0.00 -1.41 1.56 0.00 -1.93 -3.34 103.07 99.87 2dk9 h GLY 48 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2dk9 h GLY 48 CO 0.00 0.00 -0.23 1.04 0.00 0.00 0.00 176.54 177.35 2dk9 n LEU 49 N -2.77 3.39 -4.08 3.11 4.77 -1.01 -5.02 117.00 115.39 2dk9 n LEU 49 Ca 0.01 -3.71 -0.10 0.00 -0.03 0.00 0.00 56.01 52.18 2dk9 n LEU 49 Cb 0.55 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2dk9 n LEU 49 CO 0.39 1.22 -0.18 -0.76 -1.33 0.00 0.00 177.39 176.73 2dk9 s LEU 50 N -3.18 1.40 -0.44 2.23 2.01 -1.13 -4.97 118.68 114.60 2dk9 s LEU 50 Ca 0.41 -1.10 0.08 0.00 0.01 0.00 0.00 54.13 53.53 2dk9 s LEU 50 Cb 0.38 0.66 0.30 0.00 0.01 0.00 0.00 46.19 47.53 2dk9 s LEU 50 CO -0.02 -0.81 0.90 -0.62 1.01 0.00 0.00 176.35 176.81 2dk9 n GLU 51 N -0.16 0.91 0.06 1.70 1.02 -1.26 -4.93 120.64 117.98 2dk9 n GLU 51 Ca -0.05 -2.39 0.16 0.00 -0.02 0.00 0.00 57.16 54.86 2dk9 n GLU 51 Cb 0.64 -1.31 0.66 0.00 -0.02 0.00 0.00 31.44 31.40 2dk9 n GLU 51 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dk9 h PRO 52 N 3.36 0.05 -0.77 3.49 0.13 -1.98 -1.69 132.00 134.59 2dk9 h PRO 52 Ca -0.04 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2dk9 h PRO 52 Cb 1.03 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 2dk9 h PRO 52 CO 0.30 0.03 0.50 1.03 -0.23 0.00 0.00 178.00 179.64 2dk9 h SER 53 N 0.05 0.86 0.02 1.44 0.87 -1.98 0.19 113.55 115.00 2dk9 h SER 53 Ca 0.19 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2dk9 h SER 53 Cb 0.71 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2dk9 h SER 53 CO -0.01 0.61 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.56 2dk9 h GLU 54 N 1.01 -0.02 0.00 2.24 5.08 -1.74 -3.13 114.58 118.02 2dk9 h GLU 54 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2dk9 h GLU 54 Cb -0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2dk9 h GLU 54 CO -0.08 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.76 2dk9 n LEU 55 N -4.82 0.04 -0.27 1.33 7.99 -1.05 -1.94 117.00 118.27 2dk9 n LEU 55 Ca -0.09 0.51 -0.07 0.00 -0.01 0.00 0.00 56.01 56.35 2dk9 n LEU 55 Cb 0.29 -0.51 0.05 0.00 -0.11 0.00 0.00 43.42 43.15 2dk9 n LEU 55 CO 0.33 -0.30 0.97 -0.61 -1.51 0.00 0.00 177.39 176.28 2dk9 h GLN 56 N 0.00 1.16 0.00 3.23 -0.00 -0.56 -3.30 115.11 115.64 2dk9 h GLN 56 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2dk9 h GLN 56 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.54 2dk9 h GLN 56 CO 0.00 1.00 -0.40 0.41 0.00 0.00 0.00 178.83 179.84 2dk9 n GLY 57 N -0.73 0.37 0.32 2.39 0.00 -1.15 -4.58 105.19 101.82 2dk9 n GLY 57 Ca 0.06 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 3.38 -1.47 -3.47 115.31 114.74 2dk9 h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dk9 h LEU 58 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2dk9 h LEU 58 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2dk9 n GLY 59 N -1.52 2.98 0.07 0.83 0.00 -1.26 -4.85 105.19 101.45 2dk9 n GLY 59 Ca 0.02 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.14 -0.79 4.61 0.00 -1.83 -2.37 119.26 118.74 2dk9 h ALA 60 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dk9 h ALA 60 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2dk9 h ALA 60 CO 0.00 -0.13 0.52 -0.07 0.00 0.00 0.00 179.25 179.57 2dk9 h LEU 61 N -0.68 0.84 -0.29 0.00 -0.00 -1.93 -0.46 115.31 112.79 2dk9 h LEU 61 Ca -0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 2dk9 h LEU 61 Cb 0.08 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 2dk9 h LEU 61 CO 0.02 0.58 0.04 -0.33 -0.00 0.00 0.00 178.44 178.75 2dk9 h GLU 62 N 0.98 0.48 -0.49 1.13 4.39 -1.89 0.15 114.58 119.33 2dk9 h GLU 62 Ca 0.32 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 2dk9 h GLU 62 Cb 0.04 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2dk9 h GLU 62 CO -0.09 0.60 0.16 0.00 -1.16 0.00 0.00 179.01 178.52 2dk9 h ALA 63 N 0.87 0.64 -0.01 3.43 0.00 -0.87 0.12 119.26 123.44 2dk9 h ALA 63 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dk9 h ALA 63 Cb 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dk9 h ALA 63 CO 0.01 0.28 -0.00 1.15 0.00 0.00 0.00 179.25 180.69 2dk9 h THR 64 N 0.65 1.29 -0.57 0.00 2.02 -1.02 0.96 112.91 116.24 2dk9 h THR 64 Ca 0.16 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 2dk9 h THR 64 Cb 0.25 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 2dk9 h THR 64 CO -0.01 0.23 0.31 0.00 0.37 0.00 0.00 175.52 176.42 2dk9 h ALA 65 N 0.64 0.73 -0.00 6.16 0.00 -0.66 0.30 119.26 126.42 2dk9 h ALA 65 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dk9 h ALA 65 Cb 0.37 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dk9 h ALA 65 CO 0.00 0.25 -0.00 2.35 0.00 0.00 0.00 179.25 181.85 2dk9 h TRP 66 N 0.77 0.01 -0.76 0.00 7.01 -0.77 -1.31 115.95 120.90 2dk9 h TRP 66 Ca 0.20 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 2dk9 h TRP 66 Cb 0.06 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 2dk9 h TRP 66 CO -0.01 0.36 0.38 0.00 -2.79 0.00 0.00 178.44 176.38 2dk9 h ALA 67 N 0.65 1.23 -0.54 2.65 0.00 -0.71 -0.12 119.26 122.42 2dk9 h ALA 67 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2dk9 h ALA 67 Cb 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dk9 h ALA 67 CO 0.00 0.60 -0.06 -0.07 0.00 0.00 0.00 179.25 179.72 2dk9 h LEU 68 N 1.08 0.97 -0.05 0.00 3.38 -0.34 0.43 115.31 120.77 2dk9 h LEU 68 Ca 0.26 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2dk9 h LEU 68 Cb 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2dk9 h LEU 68 CO -0.04 1.06 -0.08 0.50 0.09 0.00 0.00 178.44 179.97 2dk9 h LYS 69 N 0.89 0.14 -0.18 1.13 3.11 -0.80 -2.11 116.57 118.75 2dk9 h LYS 69 Ca 0.15 -0.09 -0.05 0.00 -2.81 0.00 0.00 60.65 57.85 2dk9 h LYS 69 Cb 0.60 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.83 2dk9 h LYS 69 CO 0.04 0.64 -0.09 -0.39 -2.81 0.00 0.00 179.45 176.84 2dk9 h VAL 70 N -0.34 1.31 -0.67 2.00 -1.51 -1.02 0.36 116.25 116.38 2dk9 h VAL 70 Ca 0.00 -1.16 0.08 0.00 -1.23 0.00 0.00 66.70 64.40 2dk9 h VAL 70 Cb 0.63 1.68 -0.07 0.00 -2.13 0.00 0.00 31.29 31.41 2dk9 h VAL 70 CO 0.02 0.35 0.34 0.00 -1.23 0.00 0.00 177.57 177.04 2dk9 h ALA 71 N 0.69 0.91 -0.29 5.19 0.00 -0.22 0.85 119.26 126.38 2dk9 h ALA 71 Ca 0.04 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2dk9 h ALA 71 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2dk9 h ALA 71 CO 0.03 -0.05 -0.39 1.49 0.00 0.00 0.00 179.25 180.33 2dk9 h GLU 72 N 0.59 0.69 -0.35 0.00 4.22 -1.31 0.35 114.58 118.77 2dk9 h GLU 72 Ca 0.32 -0.35 -0.14 0.00 0.08 0.00 0.00 59.36 59.27 2dk9 h GLU 72 Cb 0.31 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2dk9 h GLU 72 CO -0.24 0.96 -0.34 -0.97 -2.18 0.00 0.00 179.01 176.24 2dk9 h ASN 73 N 0.57 0.90 0.19 1.04 -0.73 0.46 1.05 115.58 119.06 2dk9 h ASN 73 Ca 0.05 -0.47 -0.26 0.00 1.87 0.00 0.00 56.30 57.49 2dk9 h ASN 73 Cb 0.93 -0.25 0.03 0.00 0.27 0.00 0.00 38.32 39.29 2dk9 h ASN 73 CO 0.08 1.18 -1.19 -0.08 -0.37 0.00 0.00 177.43 177.05 2dk9 h GLU 74 N 0.63 0.40 0.06 6.67 4.22 0.69 -3.38 114.58 123.87 2dk9 h GLU 74 Ca 0.06 -0.68 -0.33 0.00 0.08 0.00 0.00 59.36 58.48 2dk9 h GLU 74 Cb 0.92 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 2dk9 h GLU 74 CO 0.08 1.33 -1.87 1.28 -2.18 0.00 0.00 179.01 177.65 2dk9 n LEU 75 N -3.92 1.74 0.00 1.64 4.77 0.12 -5.00 117.00 116.35 2dk9 n LEU 75 Ca -0.17 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2dk9 n LEU 75 Cb 0.96 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2dk9 n LEU 75 CO 0.53 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 2dk9 n GLY 76 N 1.78 1.23 3.38 -0.72 0.00 0.36 -5.01 105.19 106.21 2dk9 n GLY 76 Ca -0.25 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 3.74 -0.09 -0.61 1.01 -1.17 -5.01 121.20 117.06 2dk9 s ILE 77 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 2dk9 s ILE 77 Cb 0.00 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 2dk9 s ILE 77 CO 0.00 0.41 1.16 -0.89 0.00 0.00 0.00 174.94 175.62 2dk9 s THR 78 N 1.35 4.38 0.34 2.92 2.01 -1.26 -4.14 115.64 121.23 2dk9 s THR 78 Ca 0.04 1.69 -0.28 0.00 0.31 0.00 0.00 61.69 63.45 2dk9 s THR 78 Cb -0.15 -4.09 -0.12 0.00 0.01 0.00 0.00 72.50 68.15 2dk9 s THR 78 CO -0.00 -0.03 1.24 -2.65 -0.69 0.00 0.00 174.62 172.48 2dk9 n PRO 79 N 5.45 1.98 -0.07 4.92 -0.02 -1.26 -4.92 135.00 141.08 2dk9 n PRO 79 Ca 0.11 0.69 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 2dk9 n PRO 79 Cb 0.46 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.29 0.81 -3.77 -1.45 0.31 -1.26 -5.01 118.33 108.25 2dk9 n VAL 80 Ca 0.06 -0.91 -0.13 0.00 -0.01 0.00 0.00 64.34 63.35 2dk9 n VAL 80 Cb 0.35 0.61 -0.10 0.00 -0.91 0.00 0.00 33.84 33.80 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 -0.89 0.04 0.44 2.52 0.11 -1.26 -4.97 120.40 116.39 2dk9 s VAL 81 Ca 0.10 -0.31 -0.22 0.00 -2.93 0.00 0.00 61.98 58.62 2dk9 s VAL 81 Cb 0.05 -0.54 -0.09 0.00 -1.53 0.00 0.00 36.38 34.27 2dk9 s VAL 81 CO 0.07 -0.17 1.03 -0.44 -3.33 0.00 0.00 175.10 172.26 2dk9 s SER 82 N -0.77 6.60 0.20 3.54 0.01 -1.26 -4.96 113.70 117.07 2dk9 s SER 82 Ca -0.09 1.95 -0.11 0.00 1.31 0.00 0.00 55.95 59.01 2dk9 s SER 82 Cb -0.04 -2.57 0.16 0.00 0.21 0.00 0.00 66.02 63.78 2dk9 s SER 82 CO 0.03 -0.60 1.85 0.00 0.41 0.00 0.00 173.24 174.93 2dk9 h ALA 83 N 2.03 0.87 -0.72 1.44 0.00 -1.95 -2.39 119.26 118.54 2dk9 h ALA 83 Ca -0.49 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.48 2dk9 h ALA 83 Cb 1.21 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2dk9 h ALA 83 CO 0.61 0.20 0.38 1.96 0.00 0.00 0.00 179.25 182.41 2dk9 h GLN 84 N 0.84 0.65 -0.78 0.00 4.20 -1.95 -1.20 115.11 116.87 2dk9 h GLN 84 Ca 0.26 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 2dk9 h GLN 84 Cb -0.01 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 2dk9 h GLN 84 CO -0.09 0.43 0.33 0.00 -0.67 0.00 0.00 178.83 178.83 2dk9 h ALA 85 N 1.41 1.12 -0.24 3.87 0.00 -1.83 0.34 119.26 123.92 2dk9 h ALA 85 Ca 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2dk9 h ALA 85 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2dk9 h ALA 85 CO -0.23 0.64 0.08 0.28 0.00 0.00 0.00 179.25 180.02 2dk9 h VAL 86 N 1.12 1.19 -0.12 0.00 2.07 -0.85 1.01 116.25 120.67 2dk9 h VAL 86 Ca 0.26 -0.60 -0.21 0.00 0.82 0.00 0.00 66.70 66.98 2dk9 h VAL 86 Cb 0.18 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2dk9 h VAL 86 CO -0.03 0.19 -0.76 0.58 0.02 0.00 0.00 177.57 177.58 2dk9 h VAL 87 N 0.22 1.32 0.00 2.57 2.07 -1.09 -3.15 116.25 118.18 2dk9 h VAL 87 Ca 0.08 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2dk9 h VAL 87 Cb 0.23 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2dk9 h VAL 87 CO -0.00 0.63 -0.27 0.00 0.02 0.00 0.00 177.57 177.95 2dk9 n ALA 88 N -2.57 2.65 -3.17 1.67 0.00 0.12 -4.63 120.51 114.59 2dk9 n ALA 88 Ca -0.06 -0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 2dk9 n ALA 88 Cb 0.73 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.52 0.11 0.00 0.00 0.35 -4.87 105.19 101.63 2dk9 n GLY 89 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2dk9 n GLY 89 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dk9 h SER 90 N -1.43 0.00 -3.20 1.61 4.64 -1.74 -3.40 113.55 110.03 2dk9 h SER 90 Ca -0.51 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.16 2dk9 h SER 90 Cb 1.35 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.04 2dk9 h SER 90 CO 0.57 0.56 -0.44 -1.81 -0.87 0.00 0.00 176.83 174.84 2dk9 s ASP 91 N -6.14 5.15 0.21 4.97 1.01 -1.26 -4.93 116.67 115.68 2dk9 s ASP 91 Ca 0.01 -3.81 -0.10 0.00 0.71 0.00 0.00 52.55 49.36 2dk9 s ASP 91 Cb 0.08 -1.71 0.20 0.00 1.01 0.00 0.00 42.92 42.50 2dk9 s ASP 91 CO 0.78 -0.11 1.85 -0.65 0.21 0.00 0.00 175.17 177.25 2dk9 h PRO 92 N 5.59 0.86 -0.64 8.23 0.11 -1.91 -2.04 132.00 142.20 2dk9 h PRO 92 Ca 0.14 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.21 2dk9 h PRO 92 Cb 0.77 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 2dk9 h PRO 92 CO 0.76 0.57 0.42 1.25 -0.21 0.00 0.00 178.00 180.79 2dk9 h LEU 93 N 0.89 0.73 -0.44 2.35 5.85 -1.98 -2.41 115.31 120.30 2dk9 h LEU 93 Ca 0.29 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 2dk9 h LEU 93 Cb 0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2dk9 h LEU 93 CO -0.11 0.53 -0.17 1.23 -0.34 0.00 0.00 178.44 179.58 2dk9 h GLY 94 N 0.86 0.98 0.99 3.75 0.00 -1.76 -1.65 103.07 106.25 2dk9 h GLY 94 Ca 0.23 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2dk9 h GLY 94 CO -0.05 0.77 0.32 1.41 0.00 0.00 0.00 176.54 178.99 2dk9 h LEU 95 N 0.73 0.76 -0.45 3.11 3.38 -1.02 -2.43 115.31 119.40 2dk9 h LEU 95 Ca 0.10 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2dk9 h LEU 95 Cb 0.73 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2dk9 h LEU 95 CO 0.06 0.65 -0.16 0.40 0.09 0.00 0.00 178.44 179.47 2dk9 h ILE 96 N 0.82 1.27 -0.49 1.22 1.08 -1.40 -2.07 117.51 117.94 2dk9 h ILE 96 Ca 0.21 -1.30 0.06 0.00 -0.39 0.00 0.00 64.86 63.44 2dk9 h ILE 96 Cb 0.06 1.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 2dk9 h ILE 96 CO -0.03 0.44 0.19 0.00 -0.69 0.00 0.00 178.15 178.06 2dk9 h ALA 97 N 0.85 0.60 -0.42 1.87 0.00 -1.06 -0.02 119.26 121.08 2dk9 h ALA 97 Ca 0.11 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2dk9 h ALA 97 Cb 0.72 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2dk9 h ALA 97 CO 0.06 -0.20 -0.32 -0.92 0.00 0.00 0.00 179.25 177.87 2dk9 h TYR 98 N 0.37 1.14 -0.21 0.00 3.20 -1.40 -2.96 116.97 117.11 2dk9 h TYR 98 Ca 0.23 -0.32 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 2dk9 h TYR 98 Cb 0.22 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2dk9 h TYR 98 CO -0.15 1.15 0.01 -0.07 -1.64 0.00 0.00 178.16 177.46 2dk9 h LEU 99 N 0.80 0.27 -0.73 2.82 -0.00 -0.81 -2.15 115.31 115.51 2dk9 h LEU 99 Ca 0.08 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.88 57.83 2dk9 h LEU 99 Cb 0.91 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2dk9 h LEU 99 CO 0.08 0.32 -0.09 -1.28 -0.00 0.00 0.00 178.44 177.48 2dk9 h SER 100 N 0.30 0.87 -0.21 -0.43 0.87 -0.85 -1.98 113.55 112.13 2dk9 h SER 100 Ca 0.07 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.29 2dk9 h SER 100 Cb 0.19 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2dk9 h SER 100 CO 0.00 0.98 -0.18 -0.74 -0.53 0.00 0.00 176.83 176.36 2dk9 h HIS 101 N 0.79 0.58 -0.40 2.24 -0.00 -1.33 -3.03 115.15 114.01 2dk9 h HIS 101 Ca 0.13 -0.17 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 2dk9 h HIS 101 Cb 0.60 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 2dk9 h HIS 101 CO 0.03 0.82 0.17 0.74 -0.00 0.00 0.00 177.93 179.70 2dk9 h PHE 102 N 0.17 0.55 -0.63 5.26 -1.00 -1.34 -2.41 116.94 117.53 2dk9 h PHE 102 Ca 0.04 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2dk9 h PHE 102 Cb 0.71 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 2dk9 h PHE 102 CO 0.08 0.43 0.32 1.25 -1.61 0.00 0.00 178.31 178.77 2dk9 h HIS 103 N 0.56 0.89 -0.68 -0.55 2.76 -1.27 -1.10 115.15 115.76 2dk9 h HIS 103 Ca 0.14 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2dk9 h HIS 103 Cb 0.10 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 2dk9 h HIS 103 CO 0.00 0.66 0.24 0.66 -1.30 0.00 0.00 177.93 178.19 2dk9 h SER 104 N 0.87 0.97 -0.62 3.26 4.64 -1.32 -1.68 113.55 119.67 2dk9 h SER 104 Ca 0.22 -0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 2dk9 h SER 104 Cb 0.09 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 2dk9 h SER 104 CO -0.03 0.91 0.02 0.00 -0.87 0.00 0.00 176.83 176.86 2dk9 h ALA 105 N 1.10 0.83 -0.51 5.18 0.00 -1.18 -2.92 119.26 121.76 2dk9 h ALA 105 Ca 0.22 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2dk9 h ALA 105 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2dk9 h ALA 105 CO -0.01 0.66 -0.03 0.74 0.00 0.00 0.00 179.25 180.61 2dk9 h PHE 106 N 0.98 0.94 -0.09 0.00 -1.00 -0.99 0.38 116.94 117.16 2dk9 h PHE 106 Ca 0.18 -0.15 0.01 0.00 2.81 0.00 0.00 57.97 60.82 2dk9 h PHE 106 Cb 0.54 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 2dk9 h PHE 106 CO 0.04 0.87 0.06 -0.22 -1.61 0.00 0.00 178.31 177.44 2dk9 h LYS 107 N 0.80 0.08 0.00 1.51 1.63 -1.12 -3.33 116.57 116.13 2dk9 h LYS 107 Ca 0.15 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2dk9 h LYS 107 Cb 0.52 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2dk9 h LYS 107 CO 0.03 0.05 0.00 0.43 -3.45 0.00 0.00 179.45 176.51 2dk9 n SER 108 N -4.52 0.00 0.00 4.20 7.64 -0.97 -5.12 113.62 114.85 2dk9 n SER 108 Ca -0.01 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2dk9 n SER 108 Cb 0.11 -0.45 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