#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 0.29 0.30 3.17 0.00 -1.26 -4.94 107.32 104.88 2dk9 s GLY -7 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2dk9 s GLY -7 CO 0.00 1.58 0.00 1.42 0.00 0.00 0.00 173.10 176.10 2dk9 n HIS -6 N 5.29 -2.83 -2.07 1.90 8.25 -1.26 -4.94 115.22 119.56 2dk9 n HIS -6 Ca -0.05 0.67 -0.32 0.00 -0.26 0.00 0.00 57.72 57.76 2dk9 n HIS -6 Cb 0.49 1.38 0.03 0.00 1.12 0.00 0.00 29.99 33.01 2dk9 n HIS -6 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2dk9 n HIS -5 N -3.34 3.14 -1.43 4.41 -0.00 -1.26 -5.06 115.22 111.68 2dk9 n HIS -5 Ca 0.00 -2.71 0.15 0.00 -0.00 0.00 0.00 57.72 55.17 2dk9 n HIS -5 Cb 0.00 -0.66 -0.08 0.00 -0.00 0.00 0.00 29.99 29.25 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 -0.60 -3.86 -3.74 1.57 -0.00 -1.26 -4.96 115.22 102.37 2dk9 n HIS -4 Ca 0.48 2.13 -0.21 0.00 -0.00 0.00 0.00 57.72 60.12 2dk9 n HIS -4 Cb 0.59 -3.48 -0.18 0.00 -0.00 0.00 0.00 29.99 26.92 2dk9 n HIS -4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dk9 s HIS -3 N -4.42 0.33 -0.11 4.41 5.65 -1.26 -5.00 115.29 114.88 2dk9 s HIS -3 Ca 0.00 0.06 0.09 0.00 0.25 0.00 0.00 55.06 55.46 2dk9 s HIS -3 Cb 0.00 -0.60 -0.13 0.00 -1.18 0.00 0.00 32.58 30.67 2dk9 s HIS -3 CO 0.00 -0.24 0.02 1.58 -0.65 0.00 0.00 174.74 175.45 2dk9 n HIS -2 N 5.11 0.00 0.00 3.88 -0.00 -1.26 -5.01 115.22 117.94 2dk9 n HIS -2 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2dk9 n HIS -2 Cb 0.50 -0.54 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 2dk9 n HIS -2 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -1 N -2.46 0.00 -3.52 1.57 -0.00 -1.26 -4.68 115.22 104.87 2dk9 n HIS -1 Ca -0.19 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.35 2dk9 n HIS -1 Cb 0.85 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.86 2dk9 n HIS -1 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2dk9 n MET 0 N 0.00 0.81 0.00 1.57 0.00 -1.26 -4.98 117.12 113.26 2dk9 n MET 0 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 57.70 55.17 2dk9 n MET 0 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 33.22 33.34 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 -0.17 0.46 0.08 3.03 0.00 -1.26 -4.98 105.19 102.35 2dk9 n GLY 1 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.13 -0.10 1.61 0.87 -2.00 -3.15 113.55 110.65 2dk9 h SER 2 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2dk9 h SER 2 Cb 0.00 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2dk9 h SER 2 CO 0.00 0.11 0.08 0.00 -0.53 0.00 0.00 176.83 176.49 2dk9 h ALA 3 N -1.52 2.09 -0.73 6.23 0.00 -1.98 -2.05 119.26 121.31 2dk9 h ALA 3 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2dk9 h ALA 3 Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2dk9 h ALA 3 CO 0.03 -0.13 0.39 0.78 0.00 0.00 0.00 179.25 180.32 2dk9 h GLY 4 N 0.00 1.10 1.71 0.00 0.00 -1.94 -2.20 103.07 101.73 2dk9 h GLY 4 Ca 0.05 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 2dk9 h GLY 4 CO -0.00 0.49 -0.72 -0.91 0.00 0.00 0.00 176.54 175.40 2dk9 h THR 5 N 1.01 1.41 -0.23 4.70 1.35 -1.33 -3.12 112.91 116.70 2dk9 h THR 5 Ca 0.26 -2.20 -0.04 0.00 -0.55 0.00 0.00 66.41 63.88 2dk9 h THR 5 Cb 0.05 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 2dk9 h THR 5 CO -0.04 0.65 -0.03 1.56 -0.25 0.00 0.00 175.52 177.41 2dk9 h GLN 6 N 0.19 0.35 -0.27 4.72 1.08 -1.13 -2.49 115.11 117.56 2dk9 h GLN 6 Ca -0.02 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2dk9 h GLN 6 Cb 1.28 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 2dk9 h GLN 6 CO 0.12 0.40 0.12 1.49 -0.95 0.00 0.00 178.83 180.01 2dk9 h GLU 7 N 0.34 0.39 -0.09 1.46 4.81 -1.34 -1.09 114.58 119.05 2dk9 h GLU 7 Ca 0.07 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2dk9 h GLU 7 Cb 0.28 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2dk9 h GLU 7 CO 0.01 0.39 -0.32 1.05 -0.73 0.00 0.00 179.01 179.41 2dk9 h GLU 8 N 0.29 0.18 -0.06 1.92 4.11 -1.58 -1.70 114.58 117.74 2dk9 h GLU 8 Ca 0.09 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 2dk9 h GLU 8 Cb 0.13 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2dk9 h GLU 8 CO -0.01 0.49 -0.04 -0.07 0.07 0.00 0.00 179.01 179.45 2dk9 h LEU 9 N 0.16 0.14 -0.90 3.06 4.07 -1.15 -2.56 115.31 118.13 2dk9 h LEU 9 Ca 0.02 -0.43 -0.05 0.00 0.08 0.00 0.00 57.88 57.49 2dk9 h LEU 9 Cb 0.65 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.32 2dk9 h LEU 9 CO 0.05 0.54 0.20 0.25 -1.08 0.00 0.00 178.44 178.40 2dk9 h LEU 10 N -0.27 0.94 -0.76 1.67 5.85 -1.13 -2.22 115.31 119.40 2dk9 h LEU 10 Ca 0.01 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2dk9 h LEU 10 Cb 0.49 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2dk9 h LEU 10 CO 0.01 0.88 0.50 0.03 -0.34 0.00 0.00 178.44 179.52 2dk9 h ARG 11 N 0.97 0.99 -0.41 1.25 2.47 -1.28 0.53 114.38 118.89 2dk9 h ARG 11 Ca 0.22 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.76 2dk9 h ARG 11 Cb 0.28 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2dk9 h ARG 11 CO -0.01 0.65 -0.21 2.35 0.56 0.00 0.00 179.97 183.31 2dk9 h TRP 12 N 1.01 0.92 -0.21 3.04 7.01 -1.16 -1.57 115.95 124.99 2dk9 h TRP 12 Ca 0.28 -0.21 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 2dk9 h TRP 12 Cb -0.10 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.73 2dk9 h TRP 12 CO -0.02 0.95 -0.10 0.00 -2.79 0.00 0.00 178.44 176.47 2dk9 h GLN 14 N 0.14 0.57 -0.31 0.00 3.07 -0.87 -0.96 115.11 116.74 2dk9 h GLN 14 Ca 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 58.65 58.61 2dk9 h GLN 14 Cb 0.59 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2dk9 h GLN 14 CO 0.03 0.65 0.09 1.49 0.09 0.00 0.00 178.83 181.18 2dk9 h GLU 15 N 0.53 0.49 0.00 0.06 4.57 -1.21 -0.58 114.58 118.43 2dk9 h GLU 15 Ca 0.10 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2dk9 h GLU 15 Cb 0.45 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2dk9 h GLU 15 CO 0.02 0.54 -0.53 1.96 -1.18 0.00 0.00 179.01 179.83 2dk9 h GLN 16 N 0.34 0.00 -0.28 1.92 1.08 -1.27 -2.64 115.11 114.26 2dk9 h GLN 16 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2dk9 h GLN 16 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2dk9 h GLN 16 CO -0.00 0.53 0.00 0.25 -0.95 0.00 0.00 178.83 178.66 2dk9 n THR 17 N -3.89 0.37 -2.85 -0.54 -2.24 -0.38 -4.77 114.28 99.98 2dk9 n THR 17 Ca -0.01 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.93 2dk9 n THR 17 Cb 0.54 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.63 3.32 0.00 6.98 0.00 -0.25 -4.19 121.76 126.00 2dk9 s ALA 18 Ca 0.28 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2dk9 s ALA 18 Cb 0.15 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2dk9 s ALA 18 CO 0.21 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.43 2dk9 n GLY 19 N 2.21 1.26 3.75 0.00 0.00 -1.26 -5.04 105.19 106.11 2dk9 n GLY 19 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.25 3.72 -0.86 1.61 1.51 -1.26 -4.96 117.35 116.85 2dk9 s TYR 20 Ca 0.00 1.74 -0.25 0.00 -1.01 0.00 0.00 57.07 57.56 2dk9 s TYR 20 Cb 0.00 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.68 2dk9 s TYR 20 CO 0.00 -0.21 1.64 -1.25 -1.11 0.00 0.00 175.55 174.62 2dk9 s PRO 21 N -0.93 3.04 0.00 -1.71 0.04 -1.26 -2.67 135.00 131.50 2dk9 s PRO 21 Ca 0.45 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2dk9 s PRO 21 Cb -0.29 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.36 2dk9 s PRO 21 CO 0.36 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 175.16 2dk9 n GLY 22 N 6.40 0.65 3.66 0.56 0.00 -1.26 -5.10 105.19 110.11 2dk9 n GLY 22 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.51 4.56 -0.49 1.61 0.11 -1.09 -4.95 120.40 118.65 2dk9 s VAL 23 Ca 0.00 1.88 0.08 0.00 -2.93 0.00 0.00 61.98 61.01 2dk9 s VAL 23 Cb 0.00 -4.21 0.33 0.00 -1.53 0.00 0.00 36.38 30.97 2dk9 s VAL 23 CO 0.00 -0.15 0.81 1.41 -3.33 0.00 0.00 175.10 173.85 2dk9 n HIS 24 N 6.26 2.15 -2.18 1.54 8.25 -1.26 -4.97 115.22 125.00 2dk9 n HIS 24 Ca 0.12 -3.91 -0.40 0.00 -0.26 0.00 0.00 57.72 53.27 2dk9 n HIS 24 Cb 0.46 -0.46 -0.03 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 -3.25 3.52 0.00 1.59 1.01 -1.26 -4.65 120.40 117.35 2dk9 s VAL 25 Ca 0.44 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.82 2dk9 s VAL 25 Cb 0.29 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2dk9 s VAL 25 CO -0.10 -1.02 0.82 -1.20 0.00 0.00 0.00 175.10 173.60 2dk9 n SER 26 N 11.28 0.01 -3.96 3.32 7.64 -1.26 -4.69 113.62 125.96 2dk9 n SER 26 Ca 0.17 -1.61 -0.12 0.00 1.01 0.00 0.00 58.87 58.31 2dk9 n SER 26 Cb 0.50 -0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.38 -0.45 6.43 1.01 -1.26 -5.03 116.67 117.04 2dk9 s ASP 27 Ca 0.03 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.05 2dk9 s ASP 27 Cb 0.04 0.01 0.44 0.00 1.01 0.00 0.00 42.92 44.42 2dk9 s ASP 27 CO -0.02 -0.10 1.89 -0.11 0.21 0.00 0.00 175.17 177.05 2dk9 n LEU 28 N 2.36 6.64 0.00 1.23 0.00 -1.26 -4.11 117.00 121.87 2dk9 n LEU 28 Ca -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 56.01 52.28 2dk9 n LEU 28 Cb 0.57 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 43.09 2dk9 n LEU 28 CO 0.23 1.17 0.00 -1.20 0.00 0.00 0.00 177.39 177.59 2dk9 n SER 29 N -0.60 0.00 -0.24 1.96 7.64 -1.26 -4.90 113.62 116.21 2dk9 n SER 29 Ca 0.49 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.35 2dk9 n SER 29 Cb 1.01 0.28 0.10 0.00 -1.01 0.00 0.00 64.21 64.59 2dk9 n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dk9 h SER 30 N 0.00 0.58 -0.47 6.43 0.02 -1.91 -1.22 113.55 116.98 2dk9 h SER 30 Ca 0.00 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.11 2dk9 h SER 30 Cb 0.00 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2dk9 h SER 30 CO 0.00 0.37 0.34 0.28 -1.14 0.00 0.00 176.83 176.69 2dk9 h SER 31 N 0.71 0.00 0.01 3.07 0.02 -1.93 0.39 113.55 115.82 2dk9 h SER 31 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2dk9 h SER 31 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2dk9 h SER 31 CO -0.18 0.00 -0.02 0.79 -1.14 0.00 0.00 176.83 176.28 2dk9 n TRP 32 N -4.39 0.00 0.17 3.45 7.02 -0.48 -4.11 117.44 119.10 2dk9 n TRP 32 Ca 0.08 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.40 2dk9 n TRP 32 Cb 0.55 -0.01 -0.09 0.00 -2.42 0.00 0.00 31.31 29.34 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 4.28 -0.94 0.00 6.99 0.00 0.01 -1.61 119.26 127.99 2dk9 h ALA 33 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dk9 h ALA 33 Cb 0.46 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dk9 h ALA 33 CO 0.00 -1.09 0.00 -0.40 0.00 0.00 0.00 179.25 177.76 2dk9 n ASP 34 N -5.50 0.00 -1.26 0.00 5.68 -1.26 -4.51 116.55 109.69 2dk9 n ASP 34 Ca -0.09 0.05 -0.08 0.00 -0.50 0.00 0.00 54.79 54.16 2dk9 n ASP 34 Cb 0.42 -0.35 0.01 0.00 -1.14 0.00 0.00 41.12 40.06 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 1.28 0.23 0.12 6.12 0.00 -0.60 -4.46 105.19 107.87 2dk9 n GLY 35 Ca 0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.50 0.00 -0.16 0.99 -0.00 -1.83 -2.13 115.31 111.69 2dk9 h LEU 36 Ca -0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.66 2dk9 h LEU 36 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 2dk9 h LEU 36 CO 0.21 0.70 -0.01 0.00 -0.00 0.00 0.00 178.44 179.34 2dk9 h ALA 37 N 1.30 0.22 -0.10 1.53 0.00 -1.92 0.23 119.26 120.51 2dk9 h ALA 37 Ca -0.01 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2dk9 h ALA 37 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dk9 h ALA 37 CO 0.09 -0.07 -0.65 -0.07 0.00 0.00 0.00 179.25 178.55 2dk9 h LEU 38 N 0.02 0.47 -0.03 0.00 4.07 -1.96 -2.61 115.31 115.28 2dk9 h LEU 38 Ca 0.04 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 2dk9 h LEU 38 Cb 0.39 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 2dk9 h LEU 38 CO 0.01 1.00 -0.03 0.00 -1.08 0.00 0.00 178.44 178.34 2dk9 h ALA 40 N 0.56 1.15 0.24 0.00 0.00 -0.59 0.64 119.26 121.26 2dk9 h ALA 40 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dk9 h ALA 40 Cb 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dk9 h ALA 40 CO 0.01 0.42 -0.12 -0.07 0.00 0.00 0.00 179.25 179.49 2dk9 h LEU 41 N 1.10 -0.28 -0.03 0.00 3.38 -1.47 -1.09 115.31 116.93 2dk9 h LEU 41 Ca 0.34 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2dk9 h LEU 41 Cb -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2dk9 h LEU 41 CO -0.11 -0.14 0.02 0.58 0.09 0.00 0.00 178.44 178.88 2dk9 h VAL 42 N -0.40 1.08 -0.91 1.22 2.07 -1.23 -2.53 116.25 115.56 2dk9 h VAL 42 Ca -0.03 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 67.37 2dk9 h VAL 42 Cb 0.30 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 2dk9 h VAL 42 CO 0.05 0.07 0.58 0.22 0.02 0.00 0.00 177.57 178.51 2dk9 h TYR 43 N -0.04 0.92 -0.51 1.57 3.20 -0.84 0.40 116.97 121.66 2dk9 h TYR 43 Ca 0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2dk9 h TYR 43 Cb 0.09 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 2dk9 h TYR 43 CO -0.04 0.37 0.15 -0.09 -1.64 0.00 0.00 178.16 176.91 2dk9 h ARG 44 N 0.81 0.80 0.00 1.82 1.12 -0.89 0.92 114.38 118.96 2dk9 h ARG 44 Ca 0.44 -0.18 -0.18 0.00 -1.11 0.00 0.00 59.98 58.96 2dk9 h ARG 44 Cb 0.57 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.40 2dk9 h ARG 44 CO -0.21 0.75 -0.84 -0.07 -3.11 0.00 0.00 179.97 176.50 2dk9 h LEU 45 N 0.70 0.08 -5.57 3.80 4.07 -0.85 -3.40 115.31 114.14 2dk9 h LEU 45 Ca 0.16 -0.07 -0.36 0.00 0.08 0.00 0.00 57.88 57.70 2dk9 h LEU 45 Cb 0.29 -0.02 -0.26 0.00 1.08 0.00 0.00 40.66 41.75 2dk9 h LEU 45 CO -0.00 0.88 -0.74 0.00 -1.08 0.00 0.00 178.44 177.50 2dk9 n GLN 46 N -3.59 0.50 0.16 1.13 6.02 0.13 -4.98 117.38 116.74 2dk9 n GLN 46 Ca -0.02 -2.52 0.03 0.00 -0.01 0.00 0.00 57.00 54.49 2dk9 n GLN 46 Cb 0.79 -1.49 0.24 0.00 1.02 0.00 0.00 30.24 30.80 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 4.87 0.00 0.00 -1.09 0.13 0.68 -3.11 132.00 133.49 2dk9 h PRO 47 Ca 0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 2dk9 h PRO 47 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2dk9 h PRO 47 CO 0.25 0.49 -0.43 0.78 -0.23 0.00 0.00 178.00 178.86 2dk9 h GLY 48 N 2.16 0.00 -2.84 1.56 0.00 -1.94 -2.98 103.07 99.04 2dk9 h GLY 48 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 2dk9 h GLY 48 CO 0.06 0.00 0.17 1.04 0.00 0.00 0.00 176.54 177.82 2dk9 n LEU 49 N -3.74 5.20 -4.01 3.11 4.77 -1.18 -4.98 117.00 116.17 2dk9 n LEU 49 Ca -0.01 -3.38 -0.09 0.00 -0.03 0.00 0.00 56.01 52.49 2dk9 n LEU 49 Cb 0.50 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 2dk9 n LEU 49 CO 0.38 0.94 -0.14 -0.76 -1.33 0.00 0.00 177.39 176.48 2dk9 s LEU 50 N -3.07 1.37 -0.39 2.23 1.02 -1.13 -5.04 118.68 113.67 2dk9 s LEU 50 Ca 0.50 -0.94 0.10 0.00 0.02 0.00 0.00 54.13 53.80 2dk9 s LEU 50 Cb 0.42 0.84 0.39 0.00 0.02 0.00 0.00 46.19 47.86 2dk9 s LEU 50 CO 0.08 -0.80 1.28 -0.62 0.02 0.00 0.00 176.35 176.32 2dk9 n GLU 51 N -0.13 1.18 0.25 1.70 1.02 -1.26 -4.90 120.64 118.49 2dk9 n GLU 51 Ca -0.08 -2.03 0.17 0.00 -0.02 0.00 0.00 57.16 55.20 2dk9 n GLU 51 Cb 0.63 -0.28 0.90 0.00 -0.02 0.00 0.00 31.44 32.66 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 2.21 0.00 -0.91 3.49 0.13 -1.96 -2.54 132.00 132.42 2dk9 h PRO 52 Ca -0.24 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.98 2dk9 h PRO 52 Cb 1.27 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 2dk9 h PRO 52 CO 0.02 0.00 0.55 0.77 -0.23 0.00 0.00 178.00 179.11 2dk9 h SER 53 N 0.00 0.82 -0.00 1.44 0.02 -1.98 1.14 113.55 114.99 2dk9 h SER 53 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2dk9 h SER 53 Cb 0.01 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2dk9 h SER 53 CO 0.00 0.47 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.08 2dk9 h GLU 54 N 0.93 0.00 0.00 3.45 4.81 -1.90 -3.18 114.58 118.70 2dk9 h GLU 54 Ca 0.43 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2dk9 h GLU 54 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2dk9 h GLU 54 CO -0.23 0.59 0.00 1.28 -0.73 0.00 0.00 179.01 179.91 2dk9 n LEU 55 N -4.81 0.00 -0.01 1.64 4.77 -0.99 -2.13 117.00 115.47 2dk9 n LEU 55 Ca -0.09 0.49 0.03 0.00 -0.03 0.00 0.00 56.01 56.42 2dk9 n LEU 55 Cb 0.29 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.29 2dk9 n LEU 55 CO 0.34 -0.15 1.14 -0.61 -1.33 0.00 0.00 177.39 176.78 2dk9 h GLN 56 N 0.00 0.56 0.00 3.23 -0.00 0.14 -3.24 115.11 115.80 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 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.70 2dk9 h GLN 56 CO 0.00 0.39 -0.90 0.41 0.00 0.00 0.00 178.83 178.74 2dk9 n GLY 57 N -1.41 0.00 0.32 2.39 0.00 -1.21 -4.70 105.19 100.59 2dk9 n GLY 57 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.40 0.00 0.99 4.07 -1.50 -3.45 115.31 115.82 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 0.02 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2dk9 h LEU 58 CO 0.00 0.27 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 2dk9 n GLY 59 N -1.50 1.67 0.27 0.83 0.00 -1.22 -5.00 105.19 100.24 2dk9 n GLY 59 Ca 0.05 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.61 -0.73 4.61 0.00 -1.81 -2.11 119.26 118.61 2dk9 h ALA 60 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dk9 h ALA 60 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2dk9 h ALA 60 CO 0.00 -0.64 0.45 1.25 0.00 0.00 0.00 179.25 180.31 2dk9 h LEU 61 N -1.00 0.86 -0.63 0.00 5.85 -1.88 -1.63 115.31 116.88 2dk9 h LEU 61 Ca -0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2dk9 h LEU 61 Cb 0.57 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2dk9 h LEU 61 CO 0.10 0.66 0.34 -0.33 -0.34 0.00 0.00 178.44 178.87 2dk9 h GLU 62 N 1.00 0.88 -0.37 1.25 3.07 -1.91 0.23 114.58 118.74 2dk9 h GLU 62 Ca 0.26 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 2dk9 h GLU 62 Cb -0.06 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 2dk9 h GLU 62 CO -0.05 0.68 -0.08 0.00 -1.40 0.00 0.00 179.01 178.15 2dk9 h ALA 63 N 1.16 0.50 0.05 3.43 0.00 -0.87 0.48 119.26 124.01 2dk9 h ALA 63 Ca 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dk9 h ALA 63 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2dk9 h ALA 63 CO -0.03 0.35 -0.02 1.15 0.00 0.00 0.00 179.25 180.69 2dk9 h THR 64 N 0.50 1.20 -0.55 0.00 2.02 -1.10 0.12 112.91 115.09 2dk9 h THR 64 Ca 0.09 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 2dk9 h THR 64 Cb 0.59 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 2dk9 h THR 64 CO 0.03 0.21 0.26 0.00 0.37 0.00 0.00 175.52 176.40 2dk9 h ALA 65 N 0.49 0.71 -0.45 6.16 0.00 -0.59 0.12 119.26 125.70 2dk9 h ALA 65 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2dk9 h ALA 65 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2dk9 h ALA 65 CO 0.01 0.27 -0.06 2.35 0.00 0.00 0.00 179.25 181.82 2dk9 h TRP 66 N 0.74 0.94 -0.41 0.00 7.01 -0.91 -2.27 115.95 121.04 2dk9 h TRP 66 Ca 0.19 -0.18 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 2dk9 h TRP 66 Cb 0.12 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 2dk9 h TRP 66 CO -0.00 0.92 -0.16 0.00 -2.79 0.00 0.00 178.44 176.40 2dk9 h ALA 67 N 0.89 0.94 -0.28 2.65 0.00 -0.54 -1.78 119.26 121.13 2dk9 h ALA 67 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2dk9 h ALA 67 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2dk9 h ALA 67 CO 0.04 0.62 0.07 -0.07 0.00 0.00 0.00 179.25 179.90 2dk9 h LEU 68 N 0.69 0.43 -0.12 0.00 3.38 -0.65 0.56 115.31 119.61 2dk9 h LEU 68 Ca 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2dk9 h LEU 68 Cb 0.66 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dk9 h LEU 68 CO 0.05 0.55 0.01 0.50 0.09 0.00 0.00 178.44 179.64 2dk9 h LYS 69 N 0.29 0.20 -0.40 1.13 3.11 -1.34 -2.50 116.57 117.06 2dk9 h LYS 69 Ca 0.09 -0.06 -0.13 0.00 -2.81 0.00 0.00 60.65 57.74 2dk9 h LYS 69 Cb 0.29 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 2dk9 h LYS 69 CO 0.00 0.42 -0.27 -0.39 -2.81 0.00 0.00 179.45 176.40 2dk9 h VAL 70 N -0.05 1.27 -0.69 2.00 -1.51 -1.31 -1.99 116.25 113.97 2dk9 h VAL 70 Ca 0.03 -1.42 0.08 0.00 -1.23 0.00 0.00 66.70 64.16 2dk9 h VAL 70 Cb 0.32 1.25 -0.07 0.00 -2.13 0.00 0.00 31.29 30.67 2dk9 h VAL 70 CO 0.00 0.48 0.36 0.00 -1.23 0.00 0.00 177.57 177.18 2dk9 h ALA 71 N 0.96 0.95 -0.28 5.19 0.00 0.18 0.67 119.26 126.93 2dk9 h ALA 71 Ca 0.09 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2dk9 h ALA 71 Cb 0.82 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2dk9 h ALA 71 CO 0.07 -0.01 -0.44 1.49 0.00 0.00 0.00 179.25 180.36 2dk9 h GLU 72 N 0.63 0.71 -0.40 0.00 4.81 -1.33 0.51 114.58 119.52 2dk9 h GLU 72 Ca 0.33 -0.39 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 2dk9 h GLU 72 Cb 0.30 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2dk9 h GLU 72 CO -0.24 1.00 -0.22 -0.97 -0.73 0.00 0.00 179.01 177.86 2dk9 h ASN 73 N 0.57 0.88 0.19 1.04 -0.73 -0.44 0.16 115.58 117.24 2dk9 h ASN 73 Ca 0.04 -0.41 -0.27 0.00 1.87 0.00 0.00 56.30 57.53 2dk9 h ASN 73 Cb 0.99 -0.24 0.03 0.00 0.27 0.00 0.00 38.32 39.36 2dk9 h ASN 73 CO 0.09 1.10 -1.20 -0.33 -0.37 0.00 0.00 177.43 176.72 2dk9 h GLU 74 N 0.66 0.40 0.00 6.67 3.07 0.32 -3.43 114.58 122.26 2dk9 h GLU 74 Ca 0.08 -0.68 0.00 0.00 -0.50 0.00 0.00 59.36 58.26 2dk9 h GLU 74 Cb 0.78 0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2dk9 h GLU 74 CO 0.06 1.33 -0.51 -0.11 -1.40 0.00 0.00 179.01 178.38 2dk9 n LEU 75 N -3.91 1.13 0.00 1.33 -0.00 0.18 -5.07 117.00 110.65 2dk9 n LEU 75 Ca -0.17 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2dk9 n LEU 75 Cb 0.96 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 2dk9 n LEU 75 CO 0.53 -0.41 0.00 0.61 -0.00 0.00 0.00 177.39 178.12 2dk9 n GLY 76 N 1.86 1.48 3.72 -3.96 0.00 0.56 -4.95 105.19 103.89 2dk9 n GLY 76 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 4.96 -0.27 -0.61 -1.09 -1.26 -4.95 121.20 115.97 2dk9 s ILE 77 Ca 0.00 1.67 -0.29 0.00 -2.23 0.00 0.00 60.65 59.80 2dk9 s ILE 77 Cb 0.00 -4.14 -0.01 0.00 -1.58 0.00 0.00 42.46 36.73 2dk9 s ILE 77 CO 0.00 0.23 1.38 0.28 -1.23 0.00 0.00 174.94 175.61 2dk9 s THR 78 N 0.79 4.02 0.28 2.92 -1.32 -1.26 -4.55 115.64 116.53 2dk9 s THR 78 Ca 0.43 1.16 -0.30 0.00 -1.21 0.00 0.00 61.69 61.76 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 0.22 -0.41 1.50 -2.65 -2.21 0.00 0.00 174.62 171.06 2dk9 n PRO 79 N 7.38 2.39 0.00 7.08 -0.02 -1.26 -4.91 135.00 145.66 2dk9 n PRO 79 Ca 0.16 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2dk9 n PRO 79 Cb 0.46 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 1.90 0.08 -3.78 -1.45 0.31 -1.26 -5.07 118.33 109.05 2dk9 n VAL 80 Ca 0.09 -0.37 -0.09 0.00 -0.01 0.00 0.00 64.34 63.96 2dk9 n VAL 80 Cb 0.35 1.26 -0.06 0.00 -0.91 0.00 0.00 33.84 34.47 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 -0.08 0.11 0.26 2.52 -7.23 -1.26 -4.98 120.40 109.74 2dk9 s VAL 81 Ca 0.00 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 2dk9 s VAL 81 Cb 0.00 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2dk9 s VAL 81 CO 0.00 -0.49 0.41 -0.44 -0.31 0.00 0.00 175.10 174.27 2dk9 s SER 82 N -2.85 6.32 0.15 4.85 0.01 -1.26 -5.02 113.70 115.90 2dk9 s SER 82 Ca 0.05 0.20 -0.14 0.00 1.31 0.00 0.00 55.95 57.37 2dk9 s SER 82 Cb 0.03 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.38 2dk9 s SER 82 CO -0.11 -0.12 1.68 0.00 0.41 0.00 0.00 173.24 175.10 2dk9 h ALA 83 N 1.15 0.64 -0.70 1.44 0.00 -1.92 -2.43 119.26 117.45 2dk9 h ALA 83 Ca -0.51 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.28 2dk9 h ALA 83 Cb 1.22 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2dk9 h ALA 83 CO 0.62 0.28 0.46 -0.56 0.00 0.00 0.00 179.25 180.05 2dk9 h GLN 84 N 0.66 0.74 -0.23 0.00 3.07 -1.95 -0.97 115.11 116.42 2dk9 h GLN 84 Ca 0.16 -0.04 -0.07 0.00 0.09 0.00 0.00 58.65 58.79 2dk9 h GLN 84 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 2dk9 h GLN 84 CO -0.01 0.49 -0.12 0.00 0.09 0.00 0.00 178.83 179.28 2dk9 h ALA 85 N 1.61 0.32 -0.15 0.06 0.00 -1.89 -1.50 119.26 117.72 2dk9 h ALA 85 Ca 0.29 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dk9 h ALA 85 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2dk9 h ALA 85 CO -0.09 0.18 0.08 0.28 0.00 0.00 0.00 179.25 179.70 2dk9 h VAL 86 N 0.20 1.10 -0.03 0.00 2.07 -0.94 0.33 116.25 118.99 2dk9 h VAL 86 Ca 0.05 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 2dk9 h VAL 86 Cb 0.62 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2dk9 h VAL 86 CO 0.04 0.10 -0.22 0.58 0.02 0.00 0.00 177.57 178.08 2dk9 h VAL 87 N 0.13 1.17 0.00 2.57 2.07 -1.22 -1.95 116.25 119.03 2dk9 h VAL 87 Ca 0.05 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2dk9 h VAL 87 Cb 0.08 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2dk9 h VAL 87 CO -0.01 0.23 -0.28 0.00 0.02 0.00 0.00 177.57 177.54 2dk9 n ALA 88 N -2.49 2.65 -2.46 1.67 0.00 -0.57 -4.69 120.51 114.62 2dk9 n ALA 88 Ca -0.02 -0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 2dk9 n ALA 88 Cb 0.29 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.50 1.96 0.00 0.00 0.07 -4.85 105.19 103.23 2dk9 n GLY 89 Ca 0.05 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2dk9 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk9 n SER 90 N -1.93 5.12 -2.80 1.61 7.64 -1.16 -4.63 113.62 117.46 2dk9 n SER 90 Ca -0.19 -3.75 -0.10 0.00 1.01 0.00 0.00 58.87 55.84 2dk9 n SER 90 Cb 0.64 -0.73 0.06 0.00 -1.01 0.00 0.00 64.21 63.18 2dk9 n SER 90 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dk9 n ASP 91 N -0.96 -2.03 -0.27 6.43 2.03 -1.26 -5.00 116.55 115.48 2dk9 n ASP 91 Ca 0.51 -3.52 -0.00 0.00 0.52 0.00 0.00 54.79 52.30 2dk9 n ASP 91 Cb 1.00 1.55 0.12 0.00 -0.72 0.00 0.00 41.12 43.07 2dk9 n ASP 91 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2dk9 h PRO 92 N 3.24 0.80 -0.83 -0.67 0.11 -1.91 -2.06 132.00 130.70 2dk9 h PRO 92 Ca -0.08 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.02 2dk9 h PRO 92 Cb 1.06 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 2dk9 h PRO 92 CO 0.22 0.53 0.52 -0.07 -0.21 0.00 0.00 178.00 179.00 2dk9 h LEU 93 N 0.83 0.86 -0.95 2.35 -0.00 -1.99 -2.05 115.31 114.36 2dk9 h LEU 93 Ca 0.34 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.17 2dk9 h LEU 93 Cb 0.18 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 2dk9 h LEU 93 CO -0.18 0.58 0.22 1.23 -0.00 0.00 0.00 178.44 180.29 2dk9 h GLY 94 N 1.01 1.06 1.00 0.83 0.00 -1.77 -2.38 103.07 102.81 2dk9 h GLY 94 Ca 0.34 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2dk9 h GLY 94 CO -0.13 0.55 0.39 1.41 0.00 0.00 0.00 176.54 178.77 2dk9 h LEU 95 N 0.96 0.81 -0.34 3.11 4.07 -0.95 -1.92 115.31 121.05 2dk9 h LEU 95 Ca 0.22 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 2dk9 h LEU 95 Cb 0.25 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2dk9 h LEU 95 CO -0.01 0.65 0.12 0.40 -1.08 0.00 0.00 178.44 178.52 2dk9 h ILE 96 N 0.91 1.20 -0.70 1.22 1.08 -1.19 0.13 117.51 120.15 2dk9 h ILE 96 Ca 0.24 -0.65 0.04 0.00 -0.39 0.00 0.00 64.86 64.11 2dk9 h ILE 96 Cb -0.00 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 2dk9 h ILE 96 CO -0.04 0.22 0.42 0.00 -0.69 0.00 0.00 178.15 178.06 2dk9 h ALA 97 N 0.96 0.94 -0.12 1.87 0.00 -1.20 0.19 119.26 121.89 2dk9 h ALA 97 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2dk9 h ALA 97 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2dk9 h ALA 97 CO -0.01 0.16 -0.10 -0.92 0.00 0.00 0.00 179.25 178.39 2dk9 h TYR 98 N 0.80 0.33 -0.26 0.00 3.20 -1.18 -2.71 116.97 117.14 2dk9 h TYR 98 Ca 0.30 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2dk9 h TYR 98 Cb 0.10 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2dk9 h TYR 98 CO -0.05 0.66 0.10 1.25 -1.64 0.00 0.00 178.16 178.48 2dk9 h LEU 99 N -0.09 0.33 -0.69 2.82 6.46 -0.67 -1.14 115.31 122.33 2dk9 h LEU 99 Ca 0.02 -0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.64 2dk9 h LEU 99 Cb 0.60 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2dk9 h LEU 99 CO 0.03 0.31 -0.22 -1.28 -0.62 0.00 0.00 178.44 176.66 2dk9 h SER 100 N 0.37 0.79 -0.14 1.25 0.87 -0.53 0.39 113.55 116.55 2dk9 h SER 100 Ca 0.09 -0.28 -0.16 0.00 -1.23 0.00 0.00 61.79 60.21 2dk9 h SER 100 Cb 0.09 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2dk9 h SER 100 CO -0.01 0.99 -0.53 0.45 -0.53 0.00 0.00 176.83 177.19 2dk9 h HIS 101 N 0.68 0.81 -0.51 2.24 3.86 -1.05 -2.14 115.15 119.03 2dk9 h HIS 101 Ca 0.10 -0.34 -0.13 0.00 -1.16 0.00 0.00 60.37 58.84 2dk9 h HIS 101 Cb 0.73 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 2dk9 h HIS 101 CO 0.04 1.13 -0.17 0.74 0.86 0.00 0.00 177.93 180.53 2dk9 h PHE 102 N 0.26 1.16 0.11 2.45 -1.00 -1.18 -2.26 116.94 116.48 2dk9 h PHE 102 Ca -0.03 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.48 2dk9 h PHE 102 Cb 1.17 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.45 2dk9 h PHE 102 CO 0.10 1.09 -0.05 1.25 -1.61 0.00 0.00 178.31 179.10 2dk9 h HIS 103 N 0.89 -0.13 -0.91 -0.55 2.76 -0.95 0.83 115.15 117.09 2dk9 h HIS 103 Ca 0.12 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 2dk9 h HIS 103 Cb 0.75 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.69 2dk9 h HIS 103 CO 0.05 0.12 0.59 1.03 -1.30 0.00 0.00 177.93 178.42 2dk9 h SER 104 N -0.37 0.90 0.15 3.26 0.87 -1.39 0.59 113.55 117.55 2dk9 h SER 104 Ca -0.01 0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 2dk9 h SER 104 Cb 0.31 -0.18 0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2dk9 h SER 104 CO 0.02 0.57 -0.88 0.00 -0.53 0.00 0.00 176.83 176.01 2dk9 h ALA 105 N 1.51 -0.09 -0.10 6.23 0.00 -1.28 -2.74 119.26 122.79 2dk9 h ALA 105 Ca 0.40 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2dk9 h ALA 105 Cb 0.23 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dk9 h ALA 105 CO -0.15 0.41 -0.25 0.74 0.00 0.00 0.00 179.25 180.00 2dk9 h PHE 106 N -0.30 0.19 0.26 0.00 -1.00 0.10 0.17 116.94 116.36 2dk9 h PHE 106 Ca -0.15 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 2dk9 h PHE 106 Cb 1.69 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.21 2dk9 h PHE 106 CO 0.19 0.42 -0.13 -0.22 -1.61 0.00 0.00 178.31 176.96 2dk9 h LYS 107 N 0.16 -0.34 0.13 1.51 3.64 0.10 -3.35 116.57 118.42 2dk9 h LYS 107 Ca 0.03 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2dk9 h LYS 107 Cb 0.54 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2dk9 h LYS 107 CO 0.04 -0.03 -0.06 0.77 -2.27 0.00 0.00 179.45 177.89 2dk9 h SER 108 N -0.98 -0.15 -0.02 4.20 0.02 -1.48 -3.51 113.55 111.63 2dk9 h SER 108 Ca -0.04 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2dk9 h SER 108 Cb 0.47 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2dk9 h SER 108 CO 0.06 0.06 0.00 0.80 -1.14 0.00 0.00 176.83 176.61