#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk9 s GLY -7 N 0.00 2.88 0.29 3.03 0.00 -1.26 -4.95 107.32 107.32 2dk9 s GLY -7 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 44.72 45.75 2dk9 s GLY -7 CO 0.00 1.84 1.21 -1.58 0.00 0.00 0.00 173.10 174.58 2dk9 s HIS -6 N -1.31 3.31 0.45 1.90 5.65 -1.26 -4.99 115.29 119.04 2dk9 s HIS -6 Ca 0.71 1.52 -0.23 0.00 0.25 0.00 0.00 55.06 57.31 2dk9 s HIS -6 Cb -0.40 -3.49 -0.07 0.00 -1.18 0.00 0.00 32.58 27.43 2dk9 s HIS -6 CO 0.47 -1.28 1.17 -3.38 -0.65 0.00 0.00 174.74 171.07 2dk9 s HIS -5 N -0.96 2.90 0.16 3.88 -0.00 -1.26 -5.01 115.29 115.00 2dk9 s HIS -5 Ca 0.48 1.54 -0.23 0.00 -0.00 0.00 0.00 55.06 56.85 2dk9 s HIS -5 Cb -0.36 -3.38 -0.08 0.00 -0.00 0.00 0.00 32.58 28.77 2dk9 s HIS -5 CO 0.46 -1.48 0.73 -1.01 -0.00 0.00 0.00 174.74 173.44 2dk9 s HIS -4 N -1.53 3.84 0.72 0.38 4.02 -1.26 -5.07 115.29 116.37 2dk9 s HIS -4 Ca 0.63 1.52 -0.12 0.00 1.02 0.00 0.00 55.06 58.11 2dk9 s HIS -4 Cb -0.29 -2.69 0.16 0.00 -1.02 0.00 0.00 32.58 28.75 2dk9 s HIS -4 CO 0.35 0.49 0.97 0.72 1.02 0.00 0.00 174.74 178.29 2dk9 n HIS -3 N 1.42 -3.96 -2.66 1.40 -0.00 -1.26 -4.80 115.22 105.36 2dk9 n HIS -3 Ca -0.06 -0.88 -0.01 0.00 -0.00 0.00 0.00 57.72 56.77 2dk9 n HIS -3 Cb 0.50 -0.75 0.00 0.00 -0.00 0.00 0.00 29.99 29.74 2dk9 n HIS -3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -2 N -3.33 -3.69 -3.42 4.41 -0.00 -1.26 -4.95 115.22 102.98 2dk9 n HIS -2 Ca 0.12 1.62 -0.38 0.00 -0.00 0.00 0.00 57.72 59.08 2dk9 n HIS -2 Cb 0.43 -3.88 -0.04 0.00 -0.00 0.00 0.00 29.99 26.50 2dk9 n HIS -2 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2dk9 n HIS -1 N 0.51 3.97 -3.38 1.57 -0.00 -1.26 -5.00 115.22 111.63 2dk9 n HIS -1 Ca 0.02 -3.78 -0.45 0.00 -0.00 0.00 0.00 57.72 53.51 2dk9 n HIS -1 Cb 0.07 -1.21 -0.06 0.00 -0.00 0.00 0.00 29.99 28.79 2dk9 n HIS -1 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dk9 s MET 0 N -1.79 2.87 0.00 -1.40 0.00 -1.26 -4.19 119.30 113.52 2dk9 s MET 0 Ca 0.31 -1.68 0.00 0.00 0.00 0.00 0.00 55.69 54.31 2dk9 s MET 0 Cb -0.03 -4.19 0.00 0.00 0.00 0.00 0.00 34.83 30.61 2dk9 s MET 0 CO -0.06 -1.26 0.00 0.41 0.00 0.00 0.00 175.02 174.11 2dk9 n GLY 1 N 5.16 2.72 0.07 3.16 0.00 -1.26 -4.98 105.19 110.06 2dk9 n GLY 1 Ca -0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 0.23 0.00 0.37 1.61 4.64 -2.01 -3.26 113.55 115.13 2dk9 h SER 2 Ca 0.00 -0.26 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 2dk9 h SER 2 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2dk9 h SER 2 CO 0.00 0.87 -0.37 0.00 -0.87 0.00 0.00 176.83 176.46 2dk9 h ALA 3 N -0.74 1.39 0.00 5.18 0.00 -1.95 -2.49 119.26 120.66 2dk9 h ALA 3 Ca -0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2dk9 h ALA 3 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dk9 h ALA 3 CO -0.04 0.46 -0.31 0.78 0.00 0.00 0.00 179.25 180.14 2dk9 h GLY 4 N 1.11 0.00 1.17 0.00 0.00 -1.78 -2.79 103.07 100.78 2dk9 h GLY 4 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 2dk9 h GLY 4 CO 0.05 0.00 -1.58 -0.91 0.00 0.00 0.00 176.54 174.10 2dk9 h THR 5 N 0.00 1.10 -0.22 4.70 1.35 -1.51 -3.33 112.91 115.00 2dk9 h THR 5 Ca -0.00 -2.74 -0.04 0.00 -0.55 0.00 0.00 66.41 63.08 2dk9 h THR 5 Cb 0.69 2.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.85 2dk9 h THR 5 CO 0.04 0.82 -0.05 1.56 -0.25 0.00 0.00 175.52 177.64 2dk9 h GLN 6 N 0.07 0.33 -0.26 4.72 4.20 -1.36 -2.45 115.11 120.36 2dk9 h GLN 6 Ca -0.26 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 2dk9 h GLN 6 Cb 2.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 2dk9 h GLN 6 CO 0.16 0.40 0.12 0.93 -0.67 0.00 0.00 178.83 179.77 2dk9 h GLU 7 N 0.32 0.38 -0.09 1.46 4.39 -1.61 0.14 114.58 119.58 2dk9 h GLU 7 Ca 0.07 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 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 0.38 -0.36 1.05 -1.16 0.00 0.00 179.01 178.94 2dk9 h GLU 8 N 0.29 0.18 -0.13 2.33 4.11 -1.63 -2.15 114.58 117.58 2dk9 h GLU 8 Ca 0.09 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.34 2dk9 h GLU 8 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2dk9 h GLU 8 CO -0.01 0.52 -0.33 1.25 0.07 0.00 0.00 179.01 180.51 2dk9 h LEU 9 N 0.15 0.51 -0.32 3.06 5.85 -1.14 -2.55 115.31 120.87 2dk9 h LEU 9 Ca 0.02 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 2dk9 h LEU 9 Cb 0.71 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2dk9 h LEU 9 CO 0.05 1.00 0.12 0.25 -0.34 0.00 0.00 178.44 179.52 2dk9 h LEU 10 N 0.04 0.45 -0.97 2.25 6.46 -0.89 -2.45 115.31 120.21 2dk9 h LEU 10 Ca -0.00 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 2dk9 h LEU 10 Cb 0.94 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.70 2dk9 h LEU 10 CO 0.07 0.51 0.57 0.08 -0.62 0.00 0.00 178.44 179.05 2dk9 h ARG 11 N 0.37 1.28 -0.88 1.25 0.11 -1.45 -1.16 114.38 113.90 2dk9 h ARG 11 Ca 0.11 -0.11 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 2dk9 h ARG 11 Cb 0.21 -0.27 -0.04 0.00 1.11 0.00 0.00 29.97 30.97 2dk9 h ARG 11 CO -0.01 0.89 0.46 2.35 0.10 0.00 0.00 179.97 183.76 2dk9 h TRP 12 N 1.30 1.24 -0.19 4.08 7.01 -1.25 0.21 115.95 128.35 2dk9 h TRP 12 Ca 0.34 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 61.23 2dk9 h TRP 12 Cb -0.06 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 26.60 2dk9 h TRP 12 CO 0.01 0.88 -0.14 0.00 -2.79 0.00 0.00 178.44 176.39 2dk9 h GLN 14 N 0.11 0.81 -0.26 0.00 -0.00 -1.03 0.71 115.11 115.45 2dk9 h GLN 14 Ca 0.04 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.65 58.49 2dk9 h GLN 14 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 2dk9 h GLN 14 CO 0.04 0.72 -0.00 1.49 0.00 0.00 0.00 178.83 181.08 2dk9 h GLU 15 N 0.79 0.47 -0.02 1.69 4.81 -0.90 0.20 114.58 121.61 2dk9 h GLU 15 Ca 0.18 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2dk9 h GLU 15 Cb 0.27 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2dk9 h GLU 15 CO -0.00 0.64 -0.48 1.96 -0.73 0.00 0.00 179.01 180.39 2dk9 h GLN 16 N 0.25 0.06 -0.37 1.92 1.08 -1.15 -2.62 115.11 114.28 2dk9 h GLN 16 Ca 0.07 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2dk9 h GLN 16 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2dk9 h GLN 16 CO 0.01 0.53 0.00 2.41 -0.95 0.00 0.00 178.83 180.83 2dk9 n THR 17 N -3.97 0.48 -2.59 -0.54 -1.04 0.22 -4.72 114.28 102.13 2dk9 n THR 17 Ca -0.02 -0.56 -0.42 0.00 -2.04 0.00 0.00 64.05 61.01 2dk9 n THR 17 Cb 0.50 0.44 -0.03 0.00 -1.82 0.00 0.00 70.33 69.42 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 -1.52 3.44 0.00 2.41 0.00 0.04 -3.87 121.76 122.27 2dk9 s ALA 18 Ca 0.33 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2dk9 s ALA 18 Cb 0.18 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2dk9 s ALA 18 CO 0.24 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2dk9 n GLY 19 N 3.21 4.01 3.70 0.00 0.00 -1.26 -5.03 105.19 109.82 2dk9 n GLY 19 Ca 0.10 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.03 2.86 -0.37 1.61 1.51 -1.25 -4.94 117.35 116.74 2dk9 s TYR 20 Ca 0.00 0.67 -0.29 0.00 -1.01 0.00 0.00 57.07 56.45 2dk9 s TYR 20 Cb 0.00 -3.80 -0.00 0.00 -0.11 0.00 0.00 41.96 38.05 2dk9 s TYR 20 CO 0.00 -3.01 1.57 -1.25 -1.11 0.00 0.00 175.55 171.75 2dk9 s PRO 21 N 1.94 3.50 0.00 -1.71 0.04 -1.26 -2.70 135.00 134.80 2dk9 s PRO 21 Ca 0.68 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2dk9 s PRO 21 Cb -0.37 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2dk9 s PRO 21 CO 0.30 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 176.09 2dk9 n GLY 22 N 5.18 2.23 3.66 0.56 0.00 -1.26 -5.06 105.19 110.51 2dk9 n GLY 22 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.21 4.62 -0.54 1.61 1.01 -1.10 -4.99 120.40 118.80 2dk9 s VAL 23 Ca 0.00 1.95 0.04 0.00 0.00 0.00 0.00 61.98 63.96 2dk9 s VAL 23 Cb 0.00 -4.26 0.16 0.00 0.00 0.00 0.00 36.38 32.28 2dk9 s VAL 23 CO 0.00 -0.15 0.36 -2.28 0.00 0.00 0.00 175.10 173.03 2dk9 s HIS 24 N 3.10 2.47 -0.61 5.22 2.46 -1.26 -4.82 115.29 121.86 2dk9 s HIS 24 Ca 0.46 -2.81 -0.28 0.00 0.47 0.00 0.00 55.06 52.90 2dk9 s HIS 24 Cb -0.17 -2.04 0.02 0.00 -0.13 0.00 0.00 32.58 30.26 2dk9 s HIS 24 CO 0.09 -0.70 1.38 0.08 -2.47 0.00 0.00 174.74 173.12 2dk9 s VAL 25 N -0.47 3.78 0.00 0.89 1.01 -1.26 -4.68 120.40 119.67 2dk9 s VAL 25 Ca 0.24 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.87 2dk9 s VAL 25 Cb -0.10 -4.56 0.05 0.00 0.00 0.00 0.00 36.38 31.77 2dk9 s VAL 25 CO -0.11 -1.34 0.82 -1.20 0.00 0.00 0.00 175.10 173.28 2dk9 n SER 26 N 9.57 -0.03 -3.99 3.32 7.64 -1.26 -4.25 113.62 124.62 2dk9 n SER 26 Ca 0.10 -1.60 -0.12 0.00 1.01 0.00 0.00 58.87 58.26 2dk9 n SER 26 Cb 0.49 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.52 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 -0.73 0.47 -0.53 6.43 1.01 -1.26 -5.03 116.67 117.02 2dk9 s ASP 27 Ca 0.04 -0.42 -0.01 0.00 0.71 0.00 0.00 52.55 52.88 2dk9 s ASP 27 Cb 0.05 0.05 0.43 0.00 1.01 0.00 0.00 42.92 44.45 2dk9 s ASP 27 CO -0.02 -0.19 1.98 0.18 0.21 0.00 0.00 175.17 177.33 2dk9 n LEU 28 N 1.86 7.14 0.00 1.23 4.77 -1.26 -4.22 117.00 126.52 2dk9 n LEU 28 Ca -0.21 -3.87 0.00 0.00 -0.03 0.00 0.00 56.01 51.90 2dk9 n LEU 28 Cb 0.56 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2dk9 n LEU 28 CO 0.21 1.31 0.00 -0.24 -1.33 0.00 0.00 177.39 177.35 2dk9 n SER 29 N -0.65 0.00 0.01 -1.43 2.88 -1.26 -4.89 113.62 108.28 2dk9 n SER 29 Ca 0.53 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 58.28 2dk9 n SER 29 Cb 0.82 0.03 0.72 0.00 -0.75 0.00 0.00 64.21 65.02 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 0.00 0.41 -3.46 0.02 -1.92 0.19 113.55 108.79 2dk9 h SER 30 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2dk9 h SER 30 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2dk9 h SER 30 CO 0.00 0.00 -0.22 0.28 -1.14 0.00 0.00 176.83 175.75 2dk9 h SER 31 N 0.00 0.00 -0.56 3.07 0.02 -1.93 -2.06 113.55 112.09 2dk9 h SER 31 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2dk9 h SER 31 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2dk9 h SER 31 CO -0.00 0.22 0.00 0.79 -1.14 0.00 0.00 176.83 176.70 2dk9 n TRP 32 N -3.85 1.09 0.26 3.45 7.02 0.66 -4.27 117.44 121.81 2dk9 n TRP 32 Ca -0.02 -0.46 -0.16 0.00 -1.02 0.00 0.00 57.50 55.84 2dk9 n TRP 32 Cb 0.32 -0.14 -0.08 0.00 -2.42 0.00 0.00 31.31 28.98 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 3.94 -0.72 -0.20 6.99 0.00 -1.32 -2.35 119.26 125.60 2dk9 h ALA 33 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2dk9 h ALA 33 Cb 1.10 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2dk9 h ALA 33 CO 0.13 -0.93 0.00 -0.40 0.00 0.00 0.00 179.25 178.06 2dk9 n ASP 34 N -5.43 1.42 -2.45 0.00 5.68 -1.26 -4.49 116.55 110.02 2dk9 n ASP 34 Ca -0.11 -1.81 -0.19 0.00 -0.50 0.00 0.00 54.79 52.18 2dk9 n ASP 34 Cb 0.33 -0.13 0.02 0.00 -1.14 0.00 0.00 41.12 40.20 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 1.01 -0.36 0.19 6.12 0.00 -0.88 -4.65 105.19 106.62 2dk9 n GLY 35 Ca 0.13 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.83 0.79 -0.24 0.99 -0.00 -1.83 -1.73 115.31 112.46 2dk9 h LEU 36 Ca -0.45 -0.70 -0.01 0.00 -0.00 0.00 0.00 57.88 56.72 2dk9 h LEU 36 Cb 1.32 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 2dk9 h LEU 36 CO 0.50 1.38 0.12 0.00 -0.00 0.00 0.00 178.44 180.43 2dk9 h ALA 37 N 0.43 0.30 -0.38 1.53 0.00 -1.91 0.28 119.26 119.51 2dk9 h ALA 37 Ca -0.08 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2dk9 h ALA 37 Cb 1.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2dk9 h ALA 37 CO 0.16 -0.14 -0.18 1.25 0.00 0.00 0.00 179.25 180.34 2dk9 h LEU 38 N 0.25 0.82 -0.20 0.00 5.85 -1.93 -2.59 115.31 117.51 2dk9 h LEU 38 Ca 0.08 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2dk9 h LEU 38 Cb 0.11 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2dk9 h LEU 38 CO -0.01 1.04 0.06 0.00 -0.34 0.00 0.00 178.44 179.19 2dk9 h ALA 40 N 0.88 1.18 0.23 0.00 0.00 -0.43 0.72 119.26 121.84 2dk9 h ALA 40 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dk9 h ALA 40 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 40 CO -0.00 0.14 -0.11 -0.07 0.00 0.00 0.00 179.25 179.21 2dk9 h LEU 41 N 0.83 -0.26 -0.41 0.00 3.38 -1.29 -1.94 115.31 115.61 2dk9 h LEU 41 Ca 0.39 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 2dk9 h LEU 41 Cb 0.32 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2dk9 h LEU 41 CO -0.23 -0.16 0.24 0.58 0.09 0.00 0.00 178.44 178.97 2dk9 h VAL 42 N -0.35 1.14 -0.91 1.22 2.07 -1.02 -2.43 116.25 115.96 2dk9 h VAL 42 Ca -0.03 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.29 2dk9 h VAL 42 Cb 0.27 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2dk9 h VAL 42 CO 0.05 0.14 0.58 0.22 0.02 0.00 0.00 177.57 178.58 2dk9 h TYR 43 N 0.54 0.93 -0.46 1.57 3.20 -0.76 0.91 116.97 122.90 2dk9 h TYR 43 Ca 0.15 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 2dk9 h TYR 43 Cb 0.01 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 2dk9 h TYR 43 CO -0.03 0.39 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.73 2dk9 h ARG 44 N 0.83 0.85 0.02 1.82 9.65 -0.90 0.89 114.38 127.54 2dk9 h ARG 44 Ca 0.44 -0.30 -0.21 0.00 -1.10 0.00 0.00 59.98 58.81 2dk9 h ARG 44 Cb 0.53 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 2dk9 h ARG 44 CO -0.20 0.93 -0.97 -0.07 2.80 0.00 0.00 179.97 182.46 2dk9 h LEU 45 N 0.69 0.13 -5.77 3.80 -0.00 -0.82 -3.39 115.31 109.95 2dk9 h LEU 45 Ca 0.12 -0.12 -0.47 0.00 -0.00 0.00 0.00 57.88 57.41 2dk9 h LEU 45 Cb 0.58 -0.04 -0.33 0.00 -0.00 0.00 0.00 40.66 40.87 2dk9 h LEU 45 CO 0.03 1.02 -0.97 0.00 -0.00 0.00 0.00 178.44 178.52 2dk9 n GLN 46 N -3.50 0.76 0.18 1.13 10.64 0.30 -4.96 117.38 121.94 2dk9 n GLN 46 Ca -0.02 -2.90 0.04 0.00 -1.83 0.00 0.00 57.00 52.29 2dk9 n GLN 46 Cb 0.89 -1.31 0.33 0.00 -0.86 0.00 0.00 30.24 29.29 2dk9 n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 2dk9 h PRO 47 N 3.86 0.00 0.00 2.61 0.13 0.66 -2.77 132.00 136.49 2dk9 h PRO 47 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2dk9 h PRO 47 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2dk9 h PRO 47 CO 0.43 0.41 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 2dk9 n GLY 48 N 0.04 -1.21 0.75 1.56 0.00 -1.26 -3.35 105.19 101.73 2dk9 n GLY 48 Ca -0.01 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.24 1.65 -3.82 0.99 4.77 -1.06 -5.06 117.00 113.22 2dk9 n LEU 49 Ca 0.15 -2.66 -0.11 0.00 -0.03 0.00 0.00 56.01 53.36 2dk9 n LEU 49 Cb 0.21 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 2dk9 n LEU 49 CO 0.22 0.80 -0.06 -0.76 -1.33 0.00 0.00 177.39 176.25 2dk9 s LEU 50 N -1.62 1.22 -0.31 2.23 1.02 -1.15 -5.02 118.68 115.05 2dk9 s LEU 50 Ca 0.29 -0.30 0.19 0.00 0.02 0.00 0.00 54.13 54.33 2dk9 s LEU 50 Cb 0.29 1.07 0.47 0.00 0.02 0.00 0.00 46.19 48.04 2dk9 s LEU 50 CO -0.07 -0.56 1.02 -0.62 0.02 0.00 0.00 176.35 176.14 2dk9 n GLU 51 N 0.71 1.30 0.25 1.70 -0.58 -1.26 -4.89 120.64 117.87 2dk9 n GLU 51 Ca -0.19 -3.20 0.16 0.00 -0.42 0.00 0.00 57.16 53.51 2dk9 n GLU 51 Cb 0.59 -1.24 0.86 0.00 -0.57 0.00 0.00 31.44 31.07 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 2.81 0.00 -0.64 3.49 0.13 -1.97 -2.43 132.00 133.39 2dk9 h PRO 52 Ca -0.13 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.05 2dk9 h PRO 52 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2dk9 h PRO 52 CO 0.37 0.00 0.36 0.77 -0.23 0.00 0.00 178.00 179.27 2dk9 h SER 53 N 0.00 0.54 0.01 1.44 0.02 -1.98 0.90 113.55 114.48 2dk9 h SER 53 Ca 0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2dk9 h SER 53 Cb 0.09 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2dk9 h SER 53 CO 0.00 0.36 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.71 2dk9 h GLU 54 N 0.67 -0.01 0.00 3.45 5.08 -1.87 -3.12 114.58 118.79 2dk9 h GLU 54 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2dk9 h GLU 54 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2dk9 h GLU 54 CO -0.16 0.57 0.00 1.28 -1.00 0.00 0.00 179.01 179.70 2dk9 n LEU 55 N -4.81 0.00 0.03 1.33 4.32 -1.10 -2.22 117.00 114.55 2dk9 n LEU 55 Ca -0.09 0.49 0.04 0.00 -0.02 0.00 0.00 56.01 56.44 2dk9 n LEU 55 Cb 0.29 -0.49 0.43 0.00 -1.62 0.00 0.00 43.42 42.03 2dk9 n LEU 55 CO 0.33 -0.24 1.13 -0.61 -1.22 0.00 0.00 177.39 176.78 2dk9 h GLN 56 N 0.00 0.48 0.00 3.23 -0.00 0.91 -3.20 115.11 116.53 2dk9 h GLN 56 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2dk9 h GLN 56 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.63 2dk9 h GLN 56 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 178.83 179.58 2dk9 n GLY 57 N -1.41 -0.10 0.09 2.39 0.00 -1.16 -4.74 105.19 100.26 2dk9 n GLY 57 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.44 -3.47 115.31 115.46 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 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.22 2dk9 h LEU 58 CO 0.00 0.73 0.00 0.61 -1.08 0.00 0.00 178.44 178.70 2dk9 n GLY 59 N 1.39 1.00 0.51 0.83 0.00 -1.21 -4.99 105.19 102.71 2dk9 n GLY 59 Ca -0.07 0.46 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.28 -0.67 4.61 0.00 -1.83 0.24 119.26 120.34 2dk9 h ALA 60 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2dk9 h ALA 60 Cb 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2dk9 h ALA 60 CO 0.00 -1.21 0.32 1.25 0.00 0.00 0.00 179.25 179.61 2dk9 h LEU 61 N -1.29 0.86 -0.40 0.00 6.46 -1.89 -2.15 115.31 116.90 2dk9 h LEU 61 Ca -0.13 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 2dk9 h LEU 61 Cb 0.98 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 2dk9 h LEU 61 CO 0.21 0.73 0.24 -0.08 -0.62 0.00 0.00 178.44 178.93 2dk9 h GLU 62 N 0.95 0.54 -0.76 1.25 4.57 -1.90 0.63 114.58 119.86 2dk9 h GLU 62 Ca 0.23 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 2dk9 h GLU 62 Cb 0.10 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2dk9 h GLU 62 CO -0.03 0.40 0.25 0.00 -1.18 0.00 0.00 179.01 178.44 2dk9 h ALA 63 N 1.11 1.01 0.04 2.92 0.00 -0.63 -0.34 119.26 123.37 2dk9 h ALA 63 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dk9 h ALA 63 Cb -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2dk9 h ALA 63 CO -0.03 0.67 -0.02 1.15 0.00 0.00 0.00 179.25 181.02 2dk9 h THR 64 N 1.12 1.20 -0.64 0.00 2.02 -1.08 -0.10 112.91 115.44 2dk9 h THR 64 Ca 0.25 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 2dk9 h THR 64 Cb 0.29 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 2dk9 h THR 64 CO -0.01 0.20 0.40 0.00 0.37 0.00 0.00 175.52 176.48 2dk9 h ALA 65 N 0.51 0.81 -0.57 6.16 0.00 -0.82 0.25 119.26 125.61 2dk9 h ALA 65 Ca -0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2dk9 h ALA 65 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2dk9 h ALA 65 CO 0.01 0.27 -0.07 2.35 0.00 0.00 0.00 179.25 181.81 2dk9 h TRP 66 N 0.86 1.16 -0.33 0.00 7.01 -1.06 -2.14 115.95 121.46 2dk9 h TRP 66 Ca 0.23 -0.23 -0.17 0.00 2.11 0.00 0.00 58.89 60.83 2dk9 h TRP 66 Cb -0.05 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.72 2dk9 h TRP 66 CO -0.02 1.06 -0.47 0.00 -2.79 0.00 0.00 178.44 176.21 2dk9 h ALA 67 N 0.95 0.54 -0.69 2.65 0.00 -0.66 -1.85 119.26 120.19 2dk9 h ALA 67 Ca 0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2dk9 h ALA 67 Cb 0.64 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2dk9 h ALA 67 CO 0.04 0.68 0.23 1.25 0.00 0.00 0.00 179.25 181.45 2dk9 h LEU 68 N 0.70 0.99 -0.05 0.00 5.85 -0.43 0.42 115.31 122.79 2dk9 h LEU 68 Ca 0.04 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2dk9 h LEU 68 Cb 1.07 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 2dk9 h LEU 68 CO 0.11 0.93 -0.08 0.50 -0.34 0.00 0.00 178.44 179.56 2dk9 h LYS 69 N 1.00 0.14 -0.25 1.25 3.11 -1.37 -2.55 116.57 117.90 2dk9 h LYS 69 Ca 0.22 -0.08 -0.07 0.00 -2.81 0.00 0.00 60.65 57.91 2dk9 h LYS 69 Cb 0.28 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 2dk9 h LYS 69 CO -0.01 0.64 -0.11 -0.39 -2.81 0.00 0.00 179.45 176.77 2dk9 h VAL 70 N -0.35 1.30 -0.54 2.00 -1.51 -1.30 0.19 116.25 116.04 2dk9 h VAL 70 Ca 0.00 -1.19 0.07 0.00 -1.23 0.00 0.00 66.70 64.36 2dk9 h VAL 70 Cb 0.63 1.56 -0.06 0.00 -2.13 0.00 0.00 31.29 31.29 2dk9 h VAL 70 CO 0.02 0.37 0.21 0.00 -1.23 0.00 0.00 177.57 176.94 2dk9 h ALA 71 N 0.73 0.68 -0.29 5.19 0.00 -0.24 0.84 119.26 126.17 2dk9 h ALA 71 Ca 0.06 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2dk9 h ALA 71 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2dk9 h ALA 71 CO 0.03 -0.17 -0.42 1.49 0.00 0.00 0.00 179.25 180.18 2dk9 h GLU 72 N 0.41 0.72 -0.41 0.00 4.81 -1.42 0.19 114.58 118.89 2dk9 h GLU 72 Ca 0.26 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 2dk9 h GLU 72 Cb 0.26 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2dk9 h GLU 72 CO -0.24 1.00 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.90 2dk9 h ASN 73 N 0.58 0.90 0.19 1.04 4.21 0.15 0.87 115.58 123.52 2dk9 h ASN 73 Ca 0.04 -0.41 -0.27 0.00 1.21 0.00 0.00 56.30 56.87 2dk9 h ASN 73 Cb 0.96 -0.25 0.03 0.00 -1.12 0.00 0.00 38.32 37.94 2dk9 h ASN 73 CO 0.09 1.12 -1.20 -0.08 -1.29 0.00 0.00 177.43 176.07 2dk9 h GLU 74 N 0.68 0.40 0.03 0.81 4.22 0.70 -3.40 114.58 118.02 2dk9 h GLU 74 Ca 0.09 -0.68 -0.39 0.00 0.08 0.00 0.00 59.36 58.46 2dk9 h GLU 74 Cb 0.79 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 2dk9 h GLU 74 CO 0.07 1.33 -2.36 1.28 -2.18 0.00 0.00 179.01 177.14 2dk9 n LEU 75 N -3.91 2.87 0.00 1.64 4.32 0.67 -5.03 117.00 117.56 2dk9 n LEU 75 Ca -0.17 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 2dk9 n LEU 75 Cb 0.96 -0.96 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2dk9 n LEU 75 CO 0.53 0.91 0.00 0.61 -1.22 0.00 0.00 177.39 178.22 2dk9 n GLY 76 N 2.17 1.45 3.70 -0.72 0.00 0.30 -5.01 105.19 107.08 2dk9 n GLY 76 Ca -0.43 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2dk9 n GLY 76 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dk9 s ILE 77 N -2.00 4.88 -0.27 -0.61 2.07 -1.25 -4.99 121.20 119.03 2dk9 s ILE 77 Ca 0.00 1.88 -0.29 0.00 -1.41 0.00 0.00 60.65 60.83 2dk9 s ILE 77 Cb 0.00 -4.24 -0.01 0.00 0.13 0.00 0.00 42.46 38.34 2dk9 s ILE 77 CO 0.00 0.11 1.39 0.28 -1.91 0.00 0.00 174.94 174.81 2dk9 s THR 78 N 1.42 4.02 0.35 4.00 -1.32 -1.26 -4.49 115.64 118.36 2dk9 s THR 78 Ca 0.46 1.16 -0.27 0.00 -1.21 0.00 0.00 61.69 61.83 2dk9 s THR 78 Cb -0.19 -4.03 -0.12 0.00 -1.51 0.00 0.00 72.50 66.65 2dk9 s THR 78 CO 0.21 -0.42 1.15 -2.65 -2.21 0.00 0.00 174.62 170.70 2dk9 n PRO 79 N 7.39 1.73 -0.00 7.08 -0.02 -1.26 -4.93 135.00 144.99 2dk9 n PRO 79 Ca 0.16 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.27 2dk9 n PRO 79 Cb 0.46 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.08 0.00 -3.86 -1.45 0.31 -1.26 -5.06 118.33 107.09 2dk9 n VAL 80 Ca 0.07 -0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 64.03 2dk9 n VAL 80 Cb 0.36 0.76 -0.07 0.00 -0.91 0.00 0.00 33.84 33.98 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 -1.78 0.14 0.48 2.52 -7.23 -1.26 -4.96 120.40 108.31 2dk9 s VAL 81 Ca 0.00 -1.19 -0.07 0.00 -1.81 0.00 0.00 61.98 58.91 2dk9 s VAL 81 Cb 0.03 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 2dk9 s VAL 81 CO 0.18 -0.62 0.81 -0.44 -0.31 0.00 0.00 175.10 174.73 2dk9 s SER 82 N -2.87 6.31 0.14 4.85 0.01 -1.26 -4.99 113.70 115.89 2dk9 s SER 82 Ca 0.06 1.02 -0.14 0.00 1.31 0.00 0.00 55.95 58.20 2dk9 s SER 82 Cb 0.05 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 64.00 2dk9 s SER 82 CO -0.10 -0.58 1.65 0.00 0.41 0.00 0.00 173.24 174.63 2dk9 h ALA 83 N 0.36 0.60 -0.87 1.44 0.00 -1.94 -2.52 119.26 116.34 2dk9 h ALA 83 Ca -0.47 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.31 2dk9 h ALA 83 Cb 1.20 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2dk9 h ALA 83 CO 0.62 0.27 0.54 0.37 0.00 0.00 0.00 179.25 181.06 2dk9 h GLN 84 N 0.61 0.96 -0.70 0.00 4.15 -1.94 -1.04 115.11 117.15 2dk9 h GLN 84 Ca 0.15 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 2dk9 h GLN 84 Cb 0.30 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 2dk9 h GLN 84 CO -0.00 0.64 0.20 0.00 -1.93 0.00 0.00 178.83 177.73 2dk9 h ALA 85 N 1.40 0.92 0.08 3.38 0.00 -1.91 -1.11 119.26 122.02 2dk9 h ALA 85 Ca 0.38 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dk9 h ALA 85 Cb 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2dk9 h ALA 85 CO -0.17 0.61 -0.04 0.28 0.00 0.00 0.00 179.25 179.94 2dk9 h VAL 86 N 1.03 1.05 -0.12 0.00 2.07 -0.93 0.69 116.25 120.05 2dk9 h VAL 86 Ca 0.22 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2dk9 h VAL 86 Cb 0.33 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2dk9 h VAL 86 CO -0.00 0.12 -0.04 0.58 0.02 0.00 0.00 177.57 178.24 2dk9 h VAL 87 N -0.32 1.11 0.00 2.57 2.07 -1.16 -1.45 116.25 119.06 2dk9 h VAL 87 Ca -0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2dk9 h VAL 87 Cb 0.27 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2dk9 h VAL 87 CO 0.02 0.14 -0.32 0.00 0.02 0.00 0.00 177.57 177.42 2dk9 n ALA 88 N -2.50 2.71 -3.36 1.67 0.00 -0.43 -4.56 120.51 114.03 2dk9 n ALA 88 Ca -0.01 -0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 2dk9 n ALA 88 Cb 0.18 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 1.41 0.00 0.00 0.21 -4.87 105.19 102.81 2dk9 n GLY 89 Ca 0.05 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.57 2.95 -2.95 1.61 3.41 -1.08 -4.69 113.62 110.31 2dk9 n SER 90 Ca -0.04 -3.77 -0.14 0.00 -0.26 0.00 0.00 58.87 54.65 2dk9 n SER 90 Cb 0.57 -0.67 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2dk9 n SER 90 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dk9 n ASP 91 N -1.10 -1.11 -0.27 4.04 -0.08 -1.26 -4.99 116.55 111.77 2dk9 n ASP 91 Ca 0.39 -3.22 -0.01 0.00 -1.51 0.00 0.00 54.79 50.45 2dk9 n ASP 91 Cb 1.11 0.70 0.12 0.00 2.34 0.00 0.00 41.12 45.39 2dk9 n ASP 91 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2dk9 h PRO 92 N 3.44 0.81 -0.55 -0.67 0.11 -1.90 -0.99 132.00 132.25 2dk9 h PRO 92 Ca -0.02 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 2dk9 h PRO 92 Cb 1.00 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 2dk9 h PRO 92 CO 0.34 0.53 0.16 -0.07 -0.21 0.00 0.00 178.00 178.76 2dk9 h LEU 93 N 0.83 0.76 -0.30 2.35 4.07 -1.99 -2.50 115.31 118.53 2dk9 h LEU 93 Ca 0.33 -0.12 -0.19 0.00 0.08 0.00 0.00 57.88 57.98 2dk9 h LEU 93 Cb 0.17 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2dk9 h LEU 93 CO -0.17 0.73 -0.57 1.23 -1.08 0.00 0.00 178.44 178.57 2dk9 h GLY 94 N 0.96 0.93 1.00 0.83 0.00 -1.73 -2.35 103.07 102.71 2dk9 h GLY 94 Ca 0.18 -1.10 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 2dk9 h GLY 94 CO -0.01 0.99 0.41 1.41 0.00 0.00 0.00 176.54 179.34 2dk9 h LEU 95 N 0.64 0.78 -0.45 3.11 3.38 -0.98 -1.35 115.31 120.44 2dk9 h LEU 95 Ca 0.01 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2dk9 h LEU 95 Cb 1.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2dk9 h LEU 95 CO 0.13 0.60 -0.15 0.40 0.09 0.00 0.00 178.44 179.51 2dk9 h ILE 96 N 0.90 1.27 -0.46 1.22 2.04 -1.46 -1.59 117.51 119.43 2dk9 h ILE 96 Ca 0.24 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.82 2dk9 h ILE 96 Cb -0.05 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2dk9 h ILE 96 CO -0.05 0.44 0.30 0.00 0.00 0.00 0.00 178.15 178.84 2dk9 h ALA 97 N 0.86 0.58 -0.46 1.87 0.00 -1.10 -1.01 119.26 120.00 2dk9 h ALA 97 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2dk9 h ALA 97 Cb 0.70 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2dk9 h ALA 97 CO 0.05 0.02 -0.06 -0.92 0.00 0.00 0.00 179.25 178.34 2dk9 h TYR 98 N 0.61 0.94 -0.37 0.00 3.20 -1.20 -2.84 116.97 117.31 2dk9 h TYR 98 Ca 0.17 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2dk9 h TYR 98 Cb -0.06 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 2dk9 h TYR 98 CO -0.05 0.92 0.20 -0.07 -1.64 0.00 0.00 178.16 177.53 2dk9 h LEU 99 N 0.69 0.45 -1.30 2.82 -0.00 -0.99 -1.78 115.31 115.19 2dk9 h LEU 99 Ca 0.12 -0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.98 2dk9 h LEU 99 Cb 0.59 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 2dk9 h LEU 99 CO 0.04 0.36 0.45 0.77 -0.00 0.00 0.00 178.44 180.06 2dk9 h SER 100 N 0.51 0.81 -0.04 -0.43 4.64 -0.94 0.13 113.55 118.22 2dk9 h SER 100 Ca 0.13 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 2dk9 h SER 100 Cb 0.02 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2dk9 h SER 100 CO -0.02 0.59 -0.13 0.45 -0.87 0.00 0.00 176.83 176.84 2dk9 h HIS 101 N 0.95 0.22 -0.24 4.77 3.86 -1.33 -3.04 115.15 120.34 2dk9 h HIS 101 Ca 0.25 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 2dk9 h HIS 101 Cb -0.10 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2dk9 h HIS 101 CO 0.00 0.75 0.02 0.74 0.86 0.00 0.00 177.93 180.30 2dk9 h PHE 102 N -0.38 0.34 0.06 2.45 0.04 -1.19 -1.88 116.94 116.38 2dk9 h PHE 102 Ca -0.00 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2dk9 h PHE 102 Cb 0.76 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.80 2dk9 h PHE 102 CO 0.13 0.34 -0.03 1.25 -0.60 0.00 0.00 178.31 179.41 2dk9 h HIS 103 N 0.34 -0.07 -0.30 -0.55 2.76 -0.75 -0.03 115.15 116.56 2dk9 h HIS 103 Ca 0.08 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 2dk9 h HIS 103 Cb 0.20 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 2dk9 h HIS 103 CO 0.00 -0.01 -0.17 0.77 -1.30 0.00 0.00 177.93 177.23 2dk9 h SER 104 N -0.11 0.51 -0.35 3.26 0.02 -1.38 -2.16 113.55 113.35 2dk9 h SER 104 Ca -0.01 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 2dk9 h SER 104 Cb 0.09 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2dk9 h SER 104 CO 0.01 0.70 0.01 0.00 -1.14 0.00 0.00 176.83 176.42 2dk9 h ALA 105 N 1.35 0.47 -0.22 3.77 0.00 -1.06 -2.76 119.26 120.81 2dk9 h ALA 105 Ca 0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2dk9 h ALA 105 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2dk9 h ALA 105 CO 0.04 0.21 -0.19 0.74 0.00 0.00 0.00 179.25 180.05 2dk9 h PHE 106 N 0.42 0.41 -0.11 0.00 -1.00 -0.86 -2.46 116.94 113.34 2dk9 h PHE 106 Ca 0.10 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 2dk9 h PHE 106 Cb 0.43 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 2dk9 h PHE 106 CO 0.03 0.55 -0.17 -0.22 -1.61 0.00 0.00 178.31 176.89 2dk9 h LYS 107 N 0.35 0.17 -0.70 1.51 3.64 -1.19 -2.46 116.57 117.89 2dk9 h LYS 107 Ca 0.06 -0.04 -0.38 0.00 -1.27 0.00 0.00 60.65 59.02 2dk9 h LYS 107 Cb 0.53 -0.02 -0.22 0.00 -0.41 0.00 0.00 32.23 32.11 2dk9 h LYS 107 CO 0.04 0.35 0.29 -1.13 -2.27 0.00 0.00 179.45 176.72 2dk9 n SER 108 N -4.26 3.42 0.00 4.20 3.41 -0.96 -5.11 113.62 114.32 2dk9 n SER 108 Ca -0.01 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 54.88 2dk9 n SER 108 Cb 0.28 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2dk9 n SER 108 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68