#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k48 h HIS 2 N 0.00 0.00 0.00 1.12 2.76 -2.12 -1.97 115.15 114.95 2k48 h HIS 2 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2k48 h HIS 2 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2k48 h HIS 2 CO 0.00 0.00 -0.08 1.25 -1.30 0.00 0.00 177.93 177.80 2k48 h HIS 3 N 0.00 0.00 -2.62 5.26 2.76 -2.12 -3.44 115.15 114.99 2k48 h HIS 3 Ca 0.03 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.66 2k48 h HIS 3 Cb 0.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.09 2k48 h HIS 3 CO 0.00 0.08 1.07 -1.58 -1.30 0.00 0.00 177.93 176.20 2k48 s HIS 4 N -4.11 2.07 -0.01 5.26 5.65 -0.74 -5.01 115.29 118.40 2k48 s HIS 4 Ca -0.03 0.19 -0.04 0.00 0.25 0.00 0.00 55.06 55.43 2k48 s HIS 4 Cb 0.12 -3.95 0.00 0.00 -1.18 0.00 0.00 32.58 27.57 2k48 s HIS 4 CO 0.55 -3.98 0.09 -1.01 -0.65 0.00 0.00 174.74 169.75 2k48 s HIS 5 N 3.61 0.02 -0.22 3.88 0.09 -1.26 -5.06 115.29 116.35 2k48 s HIS 5 Ca 0.75 -0.04 -0.11 0.00 -0.00 0.00 0.00 55.06 55.66 2k48 s HIS 5 Cb -0.36 -0.04 0.08 0.00 -0.00 0.00 0.00 32.58 32.26 2k48 s HIS 5 CO 0.31 -0.17 0.51 -1.58 -0.00 0.00 0.00 174.74 173.81 2k48 s HIS 6 N -0.81 -0.84 0.00 1.40 5.65 -1.26 -5.16 115.29 114.27 2k48 s HIS 6 Ca -0.09 1.67 0.00 0.00 0.25 0.00 0.00 55.06 56.89 2k48 s HIS 6 Cb -0.05 0.43 0.00 0.00 -1.18 0.00 0.00 32.58 31.77 2k48 s HIS 6 CO 0.00 -0.45 0.00 1.58 -0.65 0.00 0.00 174.74 175.22 2k48 n HIS 7 N 4.60 -1.55 -0.99 3.88 -0.00 -1.26 -4.92 115.22 114.98 2k48 n HIS 7 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 2k48 n HIS 7 Cb 0.55 0.18 0.00 0.00 -0.00 0.00 0.00 29.99 30.71 2k48 n HIS 7 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k48 n GLY 8 N 0.00 0.36 3.69 1.57 0.00 -1.26 -4.99 105.19 104.56 2k48 n GLY 8 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2k48 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k48 s LYS 9 N -0.63 4.14 0.69 1.61 1.02 -1.26 -4.98 119.74 120.32 2k48 s LYS 9 Ca 0.00 2.59 -0.17 0.00 0.02 0.00 0.00 55.97 58.42 2k48 s LYS 9 Cb 0.00 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2k48 s LYS 9 CO 0.00 -0.84 0.87 -2.30 -0.92 0.00 0.00 175.35 172.15 2k48 n PRO 10 N 5.73 0.57 -3.71 -1.68 -0.02 -1.26 -5.07 135.00 129.56 2k48 n PRO 10 Ca 0.18 0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2k48 n PRO 10 Cb 0.38 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 2k48 n PRO 10 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2k48 s ILE 11 N -1.75 -0.01 0.51 4.25 2.07 -1.26 -5.17 121.20 119.84 2k48 s ILE 11 Ca 0.73 0.03 -0.20 0.00 -1.41 0.00 0.00 60.65 59.80 2k48 s ILE 11 Cb -0.37 -0.65 -0.07 0.00 0.13 0.00 0.00 42.46 41.50 2k48 s ILE 11 CO 0.51 0.01 1.07 -2.16 -1.91 0.00 0.00 174.94 172.46 2k48 s PRO 12 N 0.71 3.62 0.32 3.50 0.04 -1.26 -5.04 135.00 136.89 2k48 s PRO 12 Ca -0.04 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 2k48 s PRO 12 Cb -0.05 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 2k48 s PRO 12 CO -0.05 -0.60 1.21 1.21 0.04 0.00 0.00 177.00 178.81 2k48 s ASN 13 N -1.90 6.94 0.53 6.66 2.47 -1.26 -5.02 114.94 123.35 2k48 s ASN 13 Ca 0.69 2.50 -0.21 0.00 0.42 0.00 0.00 52.86 56.27 2k48 s ASN 13 Cb -0.19 -2.64 -0.06 0.00 -1.45 0.00 0.00 41.25 36.91 2k48 s ASN 13 CO 0.23 -0.40 1.17 -2.16 -3.72 0.00 0.00 177.10 172.22 2k48 s PRO 14 N -1.71 3.38 -0.78 0.43 0.04 -1.26 -3.56 135.00 131.55 2k48 s PRO 14 Ca 0.48 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 2k48 s PRO 14 Cb -0.36 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.08 2k48 s PRO 14 CO 0.47 -0.86 0.14 1.28 0.04 0.00 0.00 177.00 178.07 2k48 n LEU 15 N -1.09 -0.81 -4.71 -3.56 4.77 -1.26 -4.90 117.00 105.44 2k48 n LEU 15 Ca 0.11 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.75 2k48 n LEU 15 Cb 0.49 -1.71 -0.02 0.00 -2.33 0.00 0.00 43.42 39.85 2k48 n LEU 15 CO 0.45 -0.01 1.21 -0.11 -1.33 0.00 0.00 177.39 177.60 2k48 n LEU 16 N -2.96 3.85 -1.36 2.23 7.94 -1.23 -4.90 117.00 120.56 2k48 n LEU 16 Ca -0.05 1.12 -0.03 0.00 -1.11 0.00 0.00 56.01 55.94 2k48 n LEU 16 Cb 0.55 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.97 2k48 n LEU 16 CO 0.23 -0.04 0.33 0.61 -1.11 0.00 0.00 177.39 177.41 2k48 n GLY 17 N 2.69 0.46 3.51 -3.96 0.00 -1.26 -5.15 105.19 101.48 2k48 n GLY 17 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 2k48 n GLY 17 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k48 s LEU 18 N -1.00 0.73 -0.01 0.99 0.05 -1.26 -5.08 118.68 113.10 2k48 s LEU 18 Ca 0.02 -1.26 0.01 0.00 0.05 0.00 0.00 54.13 52.95 2k48 s LEU 18 Cb 0.11 1.53 0.01 0.00 -2.05 0.00 0.00 46.19 45.80 2k48 s LEU 18 CO -0.03 -1.22 0.82 -0.67 -0.55 0.00 0.00 176.35 174.70 2k48 n ASP 19 N -0.93 0.18 -4.70 1.48 2.03 -1.26 -5.13 116.55 108.22 2k48 n ASP 19 Ca -0.00 -1.68 -0.33 0.00 0.52 0.00 0.00 54.79 53.30 2k48 n ASP 19 Cb 0.62 -0.13 0.12 0.00 -0.72 0.00 0.00 41.12 41.02 2k48 n ASP 19 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2k48 s SER 20 N -0.72 3.64 0.11 1.67 0.01 -1.26 -5.08 113.70 112.07 2k48 s SER 20 Ca 0.02 2.33 -0.12 0.00 1.31 0.00 0.00 55.95 59.48 2k48 s SER 20 Cb 0.01 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2k48 s SER 20 CO 0.00 -2.63 0.29 0.28 0.41 0.00 0.00 173.24 171.59 2k48 s THR 21 N -2.20 0.11 0.08 1.44 -1.32 -1.26 -5.19 115.64 107.30 2k48 s THR 21 Ca 0.72 -0.88 -0.19 0.00 -1.21 0.00 0.00 61.69 60.13 2k48 s THR 21 Cb -0.28 -1.26 0.04 0.00 -1.51 0.00 0.00 72.50 69.50 2k48 s THR 21 CO 0.51 -0.49 0.45 -0.70 -2.21 0.00 0.00 174.62 172.18 2k48 s GLU 22 N -3.83 1.02 0.93 7.08 2.56 -1.26 -5.18 118.70 120.03 2k48 s GLU 22 Ca 0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 54.97 54.44 2k48 s GLU 22 Cb 0.03 0.46 0.16 0.00 2.00 0.00 0.00 34.13 36.78 2k48 s GLU 22 CO -0.11 -0.38 1.14 0.54 -0.56 0.00 0.00 175.26 175.88 2k48 s ASN 23 N -2.34 2.76 -0.01 -1.70 2.20 -1.26 -5.08 114.94 109.51 2k48 s ASN 23 Ca -0.02 2.15 0.01 0.00 -0.94 0.00 0.00 52.86 54.07 2k48 s ASN 23 Cb 0.00 -2.55 0.01 0.00 -2.00 0.00 0.00 41.25 36.70 2k48 s ASN 23 CO -0.06 -3.20 -0.04 -0.76 -2.94 0.00 0.00 177.10 170.10 2k48 s LEU 24 N -6.66 1.75 0.66 3.54 1.43 -1.26 -5.16 118.68 112.98 2k48 s LEU 24 Ca 0.67 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.54 2k48 s LEU 24 Cb -0.23 -0.28 -0.00 0.00 0.03 0.00 0.00 46.19 45.71 2k48 s LEU 24 CO 0.58 0.01 1.09 -0.47 0.23 0.00 0.00 176.35 177.80 2k48 s TYR 25 N 0.25 2.74 0.09 0.29 5.04 -1.26 -5.09 117.35 119.42 2k48 s TYR 25 Ca -0.03 1.53 -0.07 0.00 -2.44 0.00 0.00 57.07 56.07 2k48 s TYR 25 Cb -0.06 -3.10 -0.01 0.00 0.35 0.00 0.00 41.96 39.14 2k48 s TYR 25 CO -0.00 -1.52 0.14 0.12 -1.34 0.00 0.00 175.55 172.94 2k48 s PHE 26 N -2.48 0.27 0.04 4.97 5.36 -1.26 -5.19 117.98 119.69 2k48 s PHE 26 Ca 0.65 -0.72 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 2k48 s PHE 26 Cb -0.19 -0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.33 2k48 s PHE 26 CO 0.43 -0.52 -0.05 -0.65 -1.46 0.00 0.00 175.22 172.97 2k48 s GLN 27 N -3.89 0.45 0.00 10.12 1.11 -1.26 -5.06 119.66 121.13 2k48 s GLN 27 Ca 0.07 -0.76 0.00 0.00 0.01 0.00 0.00 55.36 54.68 2k48 s GLN 27 Cb 0.06 -0.07 0.00 0.00 -1.01 0.00 0.00 33.01 31.99 2k48 s GLN 27 CO -0.10 -0.01 0.70 0.41 0.01 0.00 0.00 175.29 176.31 2k48 n GLY 28 N 1.35 0.80 0.03 3.09 0.00 -1.26 -4.97 105.19 104.23 2k48 n GLY 28 Ca -0.22 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.94 2k48 n GLY 28 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k48 n ILE 29 N 0.00 0.00 -1.09 -0.61 -6.64 -1.26 -4.90 119.36 104.87 2k48 n ILE 29 Ca -0.11 -0.01 -0.31 0.00 -1.77 0.00 0.00 62.75 60.55 2k48 n ILE 29 Cb 0.58 -0.41 0.12 0.00 -1.44 0.00 0.00 39.64 38.50 2k48 n ILE 29 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 2k48 s ASP 30 N -2.49 3.87 0.43 7.28 1.01 -1.26 -4.94 116.67 120.58 2k48 s ASP 30 Ca 0.31 1.87 0.24 0.00 0.71 0.00 0.00 52.55 55.67 2k48 s ASP 30 Cb 0.20 -2.48 1.28 0.00 1.01 0.00 0.00 42.92 42.93 2k48 s ASP 30 CO 0.45 -2.44 1.69 -0.65 0.21 0.00 0.00 175.17 174.43 2k48 h PRO 31 N -1.41 0.00 0.00 8.23 0.11 -2.02 -3.46 132.00 133.45 2k48 h PRO 31 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k48 h PRO 31 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k48 h PRO 31 CO 0.49 0.00 0.00 0.34 -0.21 0.00 0.00 178.00 178.62 2k48 n PHE 32 N -2.42 0.00 -0.34 0.65 7.35 -1.26 -4.86 117.46 116.59 2k48 n PHE 32 Ca -0.02 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.76 2k48 n PHE 32 Cb 0.20 -1.03 0.25 0.00 0.35 0.00 0.00 39.48 39.25 2k48 n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k48 h THR 33 N 0.00 0.81 0.00 -2.13 1.03 -1.95 -0.34 112.91 110.33 2k48 h THR 33 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 2k48 h THR 33 Cb 0.00 -0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.00 2k48 h THR 33 CO 0.00 0.15 -0.44 0.80 -0.01 0.00 0.00 175.52 176.02 2k48 n MET 34 N -4.74 0.18 -0.09 0.00 0.00 -1.26 -1.47 117.12 109.74 2k48 n MET 34 Ca 0.19 0.07 -0.11 0.00 -0.00 0.00 0.00 57.70 57.85 2k48 n MET 34 Cb 0.43 -1.63 0.02 0.00 0.00 0.00 0.00 33.22 32.04 2k48 n MET 34 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 2k48 h SER 35 N 0.00 0.89 -0.20 6.12 0.02 -1.51 -1.42 113.55 117.46 2k48 h SER 35 Ca 0.00 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 2k48 h SER 35 Cb 0.65 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2k48 h SER 35 CO 0.00 1.17 -0.03 0.74 -1.14 0.00 0.00 176.83 177.56 2k48 h THR 36 N 0.69 1.20 -0.00 -2.27 2.02 -1.17 -2.12 112.91 111.26 2k48 h THR 36 Ca 0.06 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.42 2k48 h THR 36 Cb 0.95 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2k48 h THR 36 CO 0.09 0.28 -0.08 -0.07 0.37 0.00 0.00 175.52 176.11 2k48 h LEU 37 N 0.48 -0.24 -1.32 2.58 -0.00 -0.92 0.11 115.31 116.01 2k48 h LEU 37 Ca 0.10 0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 57.95 2k48 h LEU 37 Cb 0.37 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 2k48 h LEU 37 CO 0.01 -0.12 -0.32 1.56 -0.00 0.00 0.00 178.44 179.57 2k48 h GLN 38 N -0.14 0.04 -0.09 1.13 4.20 -0.86 0.20 115.11 119.58 2k48 h GLN 38 Ca 0.03 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2k48 h GLN 38 Cb 0.19 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2k48 h GLN 38 CO -0.09 0.36 -0.20 1.49 -0.67 0.00 0.00 178.83 179.72 2k48 h GLU 39 N 0.03 0.30 0.17 1.46 4.57 -1.32 -3.15 114.58 116.64 2k48 h GLU 39 Ca 0.00 -0.20 -0.30 0.00 -1.18 0.00 0.00 59.36 57.68 2k48 h GLU 39 Cb 0.58 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2k48 h GLU 39 CO 0.04 0.80 -1.40 1.25 -1.18 0.00 0.00 179.01 178.52 2k48 h LEU 40 N -0.16 0.55 -1.70 1.64 5.85 -0.30 0.98 115.31 122.17 2k48 h LEU 40 Ca 0.00 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 2k48 h LEU 40 Cb 0.79 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2k48 h LEU 40 CO 0.04 1.50 -0.18 -0.61 -0.34 0.00 0.00 178.44 178.86 2k48 h GLN 41 N 0.10 0.00 0.19 1.25 -0.00 -0.80 0.21 115.11 116.05 2k48 h GLN 41 Ca -0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.13 2k48 h GLN 41 Cb 2.05 0.00 0.03 0.00 0.00 0.00 0.00 27.48 29.55 2k48 h GLN 41 CO 0.21 0.18 -1.37 1.49 0.00 0.00 0.00 178.83 179.35 2k48 h GLU 42 N 0.00 0.48 -0.86 1.69 4.57 -1.50 -3.00 114.58 115.96 2k48 h GLU 42 Ca -0.00 -0.78 -0.01 0.00 -1.18 0.00 0.00 59.36 57.39 2k48 h GLU 42 Cb 0.43 0.28 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 2k48 h GLU 42 CO 0.02 1.37 0.52 -0.97 -1.18 0.00 0.00 179.01 178.76 2k48 h ASN 43 N 0.15 1.04 0.11 1.04 -0.00 -0.04 0.19 115.58 118.07 2k48 h ASN 43 Ca -0.21 -0.06 0.02 0.00 -0.00 0.00 0.00 56.30 56.05 2k48 h ASN 43 Cb 2.06 -0.26 -0.05 0.00 -0.00 0.00 0.00 38.32 40.07 2k48 h ASN 43 CO 0.25 0.80 -0.40 0.40 -0.00 0.00 0.00 177.43 178.48 2k48 h ILE 44 N 1.19 0.18 -0.30 2.57 1.08 -0.71 0.46 117.51 121.98 2k48 h ILE 44 Ca 0.31 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.68 2k48 h ILE 44 Cb -0.04 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 33.87 2k48 h ILE 44 CO -0.06 0.00 -0.25 0.74 -0.69 0.00 0.00 178.15 177.90 2k48 h THR 45 N -0.63 1.27 0.16 -0.27 2.02 -1.23 0.55 112.91 114.78 2k48 h THR 45 Ca 0.03 -1.30 -0.29 0.00 0.77 0.00 0.00 66.41 65.61 2k48 h THR 45 Cb 0.66 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2k48 h THR 45 CO -0.24 0.42 -1.30 0.00 0.37 0.00 0.00 175.52 174.77 2k48 h ALA 46 N 1.23 0.04 0.00 6.16 0.00 -0.61 -0.18 119.26 125.89 2k48 h ALA 46 Ca 0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 2k48 h ALA 46 Cb 0.70 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k48 h ALA 46 CO 0.05 0.91 -0.03 1.25 0.00 0.00 0.00 179.25 181.44 2k48 h HIS 47 N 0.09 0.00 0.04 0.00 6.17 -0.79 0.11 115.15 120.77 2k48 h HIS 47 Ca -0.16 0.00 -0.21 0.00 0.71 0.00 0.00 60.37 60.71 2k48 h HIS 47 Cb 2.02 0.00 0.02 0.00 2.52 0.00 0.00 27.41 31.97 2k48 h HIS 47 CO 0.08 0.03 -0.84 0.93 0.71 0.00 0.00 177.93 178.83 2k48 h GLU 48 N 0.00 0.49 -0.61 5.26 5.08 0.18 -1.30 114.58 123.69 2k48 h GLU 48 Ca -0.00 -0.59 -0.09 0.00 -1.00 0.00 0.00 59.36 57.68 2k48 h GLU 48 Cb 0.70 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2k48 h GLU 48 CO 0.00 1.22 0.01 1.96 -1.00 0.00 0.00 179.01 181.20 2k48 h GLN 49 N 0.02 1.06 0.00 2.33 4.20 -0.89 0.31 115.11 122.14 2k48 h GLN 49 Ca -0.12 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 2k48 h GLN 49 Cb 1.55 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.23 2k48 h GLN 49 CO 0.16 1.03 -0.08 1.96 -0.67 0.00 0.00 178.83 181.23 2k48 h GLN 50 N 0.97 0.00 0.10 1.46 4.20 -0.86 0.44 115.11 121.42 2k48 h GLN 50 Ca 0.17 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.67 2k48 h GLN 50 Cb 0.55 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.35 2k48 h GLN 50 CO 0.03 0.08 -0.90 1.25 -0.67 0.00 0.00 178.83 178.62 2k48 h LEU 51 N 0.00 0.62 -0.73 1.46 5.85 0.16 0.19 115.31 122.86 2k48 h LEU 51 Ca -0.00 -0.85 -0.00 0.00 0.84 0.00 0.00 57.88 57.86 2k48 h LEU 51 Cb 0.25 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2k48 h LEU 51 CO 0.01 1.41 0.45 -0.37 -0.34 0.00 0.00 178.44 179.61 2k48 h VAL 52 N -0.08 1.20 -0.29 1.05 -1.51 -0.29 0.50 116.25 116.82 2k48 h VAL 52 Ca -0.14 -0.43 -0.10 0.00 -1.23 0.00 0.00 66.70 64.80 2k48 h VAL 52 Cb 1.64 0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 2k48 h VAL 52 CO 0.17 0.21 -0.24 0.74 -1.23 0.00 0.00 177.57 177.22 2k48 h THR 53 N 1.00 1.27 -0.38 7.19 2.02 -0.97 0.14 112.91 123.18 2k48 h THR 53 Ca 0.26 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 2k48 h THR 53 Cb -0.05 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2k48 h THR 53 CO -0.05 0.42 -0.04 0.00 0.37 0.00 0.00 175.52 176.22 2k48 h ALA 54 N 1.24 1.23 -0.38 6.16 0.00 0.05 0.72 119.26 128.28 2k48 h ALA 54 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2k48 h ALA 54 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2k48 h ALA 54 CO 0.05 0.51 0.14 0.00 0.00 0.00 0.00 179.25 179.95 2k48 h ARG 55 N 0.58 0.58 0.00 0.00 2.47 -0.16 0.27 114.38 118.12 2k48 h ARG 55 Ca 0.12 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 2k48 h ARG 55 Cb 0.43 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2k48 h ARG 55 CO 0.02 0.57 -0.24 0.37 0.56 0.00 0.00 179.97 181.25 2k48 h GLN 56 N 0.47 0.00 0.16 0.04 4.15 -0.22 0.66 115.11 120.37 2k48 h GLN 56 Ca 0.13 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.23 2k48 h GLN 56 Cb 0.22 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.94 2k48 h GLN 56 CO -0.01 0.24 -1.32 0.87 -1.93 0.00 0.00 178.83 176.69 2k48 h LYS 57 N 0.00 0.60 -0.46 1.69 6.56 0.61 -1.45 116.57 124.12 2k48 h LYS 57 Ca -0.00 -0.86 -0.08 0.00 -1.06 0.00 0.00 60.65 58.65 2k48 h LYS 57 Cb 0.44 0.30 -0.02 0.00 -0.57 0.00 0.00 32.23 32.38 2k48 h LYS 57 CO 0.03 1.40 -0.05 1.37 -2.06 0.00 0.00 179.45 180.14 2k48 h LEU 58 N 0.24 0.76 -1.28 2.94 8.10 -0.68 -0.35 115.31 125.04 2k48 h LEU 58 Ca -0.21 -0.20 -0.06 0.00 0.11 0.00 0.00 57.88 57.51 2k48 h LEU 58 Cb 2.00 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 42.00 2k48 h LEU 58 CO 0.25 0.86 -0.19 0.07 -4.11 0.00 0.00 178.44 175.32 2k48 h LYS 59 N 0.72 0.26 0.00 0.17 5.09 -0.83 0.13 116.57 122.12 2k48 h LYS 59 Ca 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 60.65 60.77 2k48 h LYS 59 Cb 0.52 -0.03 -0.00 0.00 0.10 0.00 0.00 32.23 32.81 2k48 h LYS 59 CO 0.03 0.44 -0.15 0.22 -2.09 0.00 0.00 179.45 177.91 2k48 h ASP 60 N 0.24 0.00 0.74 7.07 3.58 -0.85 0.53 116.42 127.73 2k48 h ASP 60 Ca 0.04 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.24 2k48 h ASP 60 Cb 0.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2k48 h ASP 60 CO 0.03 0.15 -1.19 0.00 -2.88 0.00 0.00 179.24 175.35 2k48 h ALA 61 N 1.85 0.19 -0.58 -0.78 0.00 0.60 -2.41 119.26 118.12 2k48 h ALA 61 Ca -0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 54.91 53.90 2k48 h ALA 61 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k48 h ALA 61 CO 0.02 1.08 -0.01 0.93 0.00 0.00 0.00 179.25 181.26 2k48 h GLU 62 N 0.05 1.03 0.00 0.00 5.08 -0.60 -1.19 114.58 118.94 2k48 h GLU 62 Ca -0.10 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2k48 h GLU 62 Cb 1.91 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.07 2k48 h GLU 62 CO 0.18 1.02 0.00 -0.22 -1.00 0.00 0.00 179.01 178.98 2k48 h LYS 63 N 0.94 0.00 0.09 2.33 1.63 -0.93 0.02 116.57 120.65 2k48 h LYS 63 Ca 0.17 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.78 2k48 h LYS 63 Cb 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2k48 h LYS 63 CO 0.03 0.00 -0.91 0.00 -3.45 0.00 0.00 179.45 175.13 2k48 h ALA 64 N 2.00 0.05 0.00 5.00 0.00 -0.71 -3.17 119.26 122.43 2k48 h ALA 64 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2k48 h ALA 64 Cb 0.05 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k48 h ALA 64 CO 0.00 0.49 0.00 -0.24 0.00 0.00 0.00 179.25 179.50 2k48 h VAL 65 N -0.52 0.00 -0.08 0.00 3.04 -1.16 -0.18 116.25 117.35 2k48 h VAL 65 Ca -0.19 -0.25 -0.01 0.00 -1.01 0.00 0.00 66.70 65.24 2k48 h VAL 65 Cb 1.53 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 32.03 2k48 h VAL 65 CO 0.06 0.00 0.03 -0.08 -1.01 0.00 0.00 177.57 176.57 2k48 h GLU 66 N 0.00 0.13 0.12 4.17 4.57 -1.09 -3.24 114.58 119.24 2k48 h GLU 66 Ca 0.00 -0.03 -0.34 0.00 -1.18 0.00 0.00 59.36 57.82 2k48 h GLU 66 Cb 0.26 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2k48 h GLU 66 CO 0.00 0.27 -1.80 -0.39 -1.18 0.00 0.00 179.01 175.91 2k48 h VAL 67 N -0.04 0.84 -1.28 0.32 -1.51 -1.40 -3.43 116.25 109.75 2k48 h VAL 67 Ca 0.03 -2.53 -0.34 0.00 -1.23 0.00 0.00 66.70 62.63 2k48 h VAL 67 Cb 0.19 2.61 -0.25 0.00 -2.13 0.00 0.00 31.29 31.72 2k48 h VAL 67 CO -0.00 0.82 -0.70 -0.67 -1.23 0.00 0.00 177.57 175.78 2k48 n ASP 68 N -3.45 -2.07 -2.73 4.19 2.03 -0.13 -5.08 116.55 109.32 2k48 n ASP 68 Ca -0.25 -2.83 -0.02 0.00 0.52 0.00 0.00 54.79 52.22 2k48 n ASP 68 Cb 1.05 0.84 -0.01 0.00 -0.72 0.00 0.00 41.12 42.29 2k48 n ASP 68 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k48 n PRO 69 N 2.43 0.23 -2.53 -0.67 -0.04 -1.22 -4.56 135.00 128.64 2k48 n PRO 69 Ca 0.20 -0.35 -0.34 0.00 -0.04 0.00 0.00 63.50 62.97 2k48 n PRO 69 Cb 0.55 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 2k48 n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k48 s ASP 70 N 3.80 6.36 0.56 3.54 1.01 -1.26 -4.94 116.67 125.74 2k48 s ASP 70 Ca 0.06 1.89 0.26 0.00 0.71 0.00 0.00 52.55 55.47 2k48 s ASP 70 Cb 0.02 -2.56 1.51 0.00 1.01 0.00 0.00 42.92 42.91 2k48 s ASP 70 CO -0.00 -0.77 2.04 -0.78 0.21 0.00 0.00 175.17 175.87 2k48 h ASP 71 N 1.50 0.00 -0.58 0.27 3.58 -2.00 0.12 116.42 119.30 2k48 h ASP 71 Ca -0.49 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 56.91 2k48 h ASP 71 Cb 1.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 2k48 h ASP 71 CO 0.59 0.00 0.18 1.62 -2.88 0.00 0.00 179.24 178.75 2k48 h VAL 72 N 0.00 1.24 0.00 2.25 3.04 -1.96 -0.90 116.25 119.93 2k48 h VAL 72 Ca 0.15 -0.83 -0.03 0.00 -1.01 0.00 0.00 66.70 64.98 2k48 h VAL 72 Cb 0.72 0.68 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2k48 h VAL 72 CO -0.00 0.31 -0.16 0.78 -1.01 0.00 0.00 177.57 177.49 2k48 h ASN 73 N 0.82 0.00 0.24 3.17 2.35 -1.05 0.73 115.58 121.85 2k48 h ASN 73 Ca 0.19 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.61 2k48 h ASN 73 Cb 0.29 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.70 2k48 h ASN 73 CO -0.00 0.16 -1.40 0.11 -1.65 0.00 0.00 177.43 174.64 2k48 h LYS 74 N 0.00 0.56 -0.08 0.81 1.57 -1.50 -2.03 116.57 115.90 2k48 h LYS 74 Ca -0.00 -0.88 -0.11 0.00 -1.87 0.00 0.00 60.65 57.79 2k48 h LYS 74 Cb 0.58 0.32 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2k48 h LYS 74 CO 0.02 1.41 -0.44 1.03 -0.57 0.00 0.00 179.45 180.90 2k48 h SER 75 N 0.19 0.19 0.20 0.86 0.87 -0.44 -1.87 113.55 113.55 2k48 h SER 75 Ca -0.23 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.19 2k48 h SER 75 Cb 2.09 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 2k48 h SER 75 CO 0.26 0.61 -0.24 0.74 -0.53 0.00 0.00 176.83 177.67 2k48 h THR 76 N 0.15 1.20 0.17 2.23 2.02 0.37 0.15 112.91 119.20 2k48 h THR 76 Ca 0.01 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 2k48 h THR 76 Cb 0.85 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2k48 h THR 76 CO 0.07 0.27 -0.08 0.25 0.37 0.00 0.00 175.52 176.39 2k48 h LEU 77 N 0.07 -0.20 -2.24 2.58 7.12 -0.59 -0.88 115.31 121.17 2k48 h LEU 77 Ca 0.01 -0.23 0.05 0.00 0.13 0.00 0.00 57.88 57.84 2k48 h LEU 77 Cb 0.47 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 2k48 h LEU 77 CO 0.03 0.14 0.21 1.56 -0.13 0.00 0.00 178.44 180.25 2k48 h GLN 78 N -0.55 0.00 0.10 1.25 4.20 -0.67 0.22 115.11 119.67 2k48 h GLN 78 Ca -0.02 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 2k48 h GLN 78 Cb 0.41 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.21 2k48 h GLN 78 CO 0.04 0.00 -0.68 -0.97 -0.67 0.00 0.00 178.83 176.55 2k48 h ASN 79 N 0.00 0.43 -0.54 1.46 -0.73 -0.70 -0.29 115.58 115.21 2k48 h ASN 79 Ca 0.08 -0.91 -0.10 0.00 1.87 0.00 0.00 56.30 57.24 2k48 h ASN 79 Cb 0.50 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 2k48 h ASN 79 CO -0.00 1.31 -0.04 0.03 -0.37 0.00 0.00 177.43 178.35 2k48 h ARG 80 N -0.38 1.01 -0.12 6.67 2.47 0.36 -0.76 114.38 123.64 2k48 h ARG 80 Ca -0.11 -0.34 -0.02 0.00 -1.26 0.00 0.00 59.98 58.25 2k48 h ARG 80 Cb 1.50 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.73 2k48 h ARG 80 CO 0.13 1.02 -0.03 -0.09 0.56 0.00 0.00 179.97 181.56 2k48 h ARG 81 N 0.92 0.17 -0.14 0.04 2.43 -0.75 -0.70 114.38 116.35 2k48 h ARG 81 Ca 0.16 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 2k48 h ARG 81 Cb 0.59 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2k48 h ARG 81 CO 0.04 0.22 -0.58 0.00 -1.51 0.00 0.00 179.97 178.13 2k48 h ALA 82 N 1.81 0.74 -0.15 2.80 0.00 -0.47 -1.33 119.26 122.66 2k48 h ALA 82 Ca 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2k48 h ALA 82 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k48 h ALA 82 CO 0.01 0.70 0.04 0.00 0.00 0.00 0.00 179.25 180.00 2k48 h ALA 83 N 1.04 0.20 -0.97 0.00 0.00 -0.30 0.40 119.26 119.63 2k48 h ALA 83 Ca -0.00 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.97 2k48 h ALA 83 Cb 1.11 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 2k48 h ALA 83 CO 0.10 -0.17 0.61 0.28 0.00 0.00 0.00 179.25 180.08 2k48 h VAL 84 N 0.04 0.68 -0.39 0.00 2.07 -1.09 0.21 116.25 117.77 2k48 h VAL 84 Ca 0.05 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 67.22 2k48 h VAL 84 Cb 0.26 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2k48 h VAL 84 CO 0.00 0.11 -0.34 -1.28 0.02 0.00 0.00 177.57 176.08 2k48 h SER 85 N 0.58 0.94 0.06 0.57 0.87 -0.78 0.21 113.55 116.01 2k48 h SER 85 Ca 0.53 -0.41 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 2k48 h SER 85 Cb 1.06 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 2k48 h SER 85 CO -0.28 1.18 -0.29 0.74 -0.53 0.00 0.00 176.83 177.65 2k48 h THR 86 N 0.74 0.36 -0.52 2.23 2.02 0.11 -0.21 112.91 117.63 2k48 h THR 86 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2k48 h THR 86 Cb 0.91 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2k48 h THR 86 CO 0.08 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 176.15 2k48 h LEU 87 N -0.48 0.69 -0.29 2.58 -0.00 -0.63 0.54 115.31 117.71 2k48 h LEU 87 Ca 0.05 -0.13 -0.12 0.00 -0.00 0.00 0.00 57.88 57.68 2k48 h LEU 87 Cb 0.54 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2k48 h LEU 87 CO -0.21 0.63 -0.27 -0.33 -0.00 0.00 0.00 178.44 178.27 2k48 h GLU 88 N 0.70 0.70 -0.18 1.13 4.39 -0.53 0.11 114.58 120.91 2k48 h GLU 88 Ca 0.18 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.55 2k48 h GLU 88 Cb 0.13 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2k48 h GLU 88 CO -0.02 0.97 0.02 1.15 -1.16 0.00 0.00 179.01 179.97 2k48 h THR 89 N 0.44 0.90 0.33 1.13 2.02 -0.86 -1.20 112.91 115.68 2k48 h THR 89 Ca 0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 2k48 h THR 89 Cb 0.83 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 2k48 h THR 89 CO 0.07 0.02 -0.51 0.50 0.37 0.00 0.00 175.52 175.97 2k48 h LYS 90 N 0.09 -0.85 0.00 6.66 1.63 -0.82 -1.61 116.57 121.67 2k48 h LYS 90 Ca 0.08 0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.91 2k48 h LYS 90 Cb 0.09 0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2k48 h LYS 90 CO -0.12 -0.57 -0.15 -0.07 -3.45 0.00 0.00 179.45 175.09 2k48 h LEU 91 N -0.88 0.00 0.02 5.20 -0.00 -0.43 0.68 115.31 119.90 2k48 h LEU 91 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2k48 h LEU 91 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 2k48 h LEU 91 CO -0.16 0.15 -0.01 1.23 -0.00 0.00 0.00 178.44 179.65 2k48 h GLY 92 N 0.45 -0.03 1.54 0.83 0.00 -1.09 0.12 103.07 104.89 2k48 h GLY 92 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2k48 h GLY 92 CO 0.02 -0.01 0.09 1.05 0.00 0.00 0.00 176.54 177.69 2k48 h GLU 93 N -0.25 0.59 0.07 4.80 -0.00 -0.03 -1.18 114.58 118.57 2k48 h GLU 93 Ca -0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.36 59.25 2k48 h GLU 93 Cb 0.24 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 28.89 2k48 h GLU 93 CO 0.00 0.55 -0.03 1.25 -0.00 0.00 0.00 179.01 180.78 2k48 h LEU 94 N 0.58 -0.08 -1.82 3.06 5.85 0.32 0.26 115.31 123.47 2k48 h LEU 94 Ca 0.13 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2k48 h LEU 94 Cb 0.23 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2k48 h LEU 94 CO -0.00 0.49 -0.06 0.11 -0.34 0.00 0.00 178.44 178.65 2k48 h LYS 95 N -0.70 0.04 -0.03 1.25 1.57 -0.73 0.22 116.57 118.19 2k48 h LYS 95 Ca -0.01 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 2k48 h LYS 95 Cb 0.57 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2k48 h LYS 95 CO 0.02 0.10 -0.85 -0.09 -0.57 0.00 0.00 179.45 178.06 2k48 h ARG 96 N 0.04 0.37 -0.70 3.15 1.12 -1.10 -0.63 114.38 116.63 2k48 h ARG 96 Ca 0.01 -0.36 0.03 0.00 -1.11 0.00 0.00 59.98 58.55 2k48 h ARG 96 Cb 0.13 0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.14 2k48 h ARG 96 CO 0.01 1.03 0.43 1.96 -3.11 0.00 0.00 179.97 180.29 2k48 h GLN 97 N 0.22 0.83 0.15 0.20 4.20 0.70 -1.64 115.11 119.76 2k48 h GLN 97 Ca -0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2k48 h GLN 97 Cb 1.47 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 2k48 h GLN 97 CO 0.14 0.55 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.65 2k48 h LEU 98 N 0.85 -0.34 -2.30 1.46 4.07 -0.91 0.18 115.31 118.31 2k48 h LEU 98 Ca 0.28 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.31 2k48 h LEU 98 Cb 0.02 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2k48 h LEU 98 CO -0.11 -0.20 0.18 0.00 -1.08 0.00 0.00 178.44 177.23 2k48 h ALA 99 N 0.53 1.67 0.13 1.53 0.00 -0.57 0.42 119.26 122.97 2k48 h ALA 99 Ca -0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2k48 h ALA 99 Cb 0.27 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k48 h ALA 99 CO -0.02 -0.25 -0.80 0.22 0.00 0.00 0.00 179.25 178.40 2k48 h ASP 100 N 0.00 0.42 -0.05 0.00 3.58 -0.89 -3.24 116.42 116.23 2k48 h ASP 100 Ca 0.06 -0.95 0.03 0.00 0.42 0.00 0.00 57.03 56.60 2k48 h ASP 100 Cb 0.42 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 2k48 h ASP 100 CO -0.00 1.38 -0.20 -0.07 -2.88 0.00 0.00 179.24 177.47 2k48 h LEU 101 N -0.43 -0.60 -0.37 2.28 4.07 0.61 -3.11 115.31 117.76 2k48 h LEU 101 Ca -0.15 0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 2k48 h LEU 101 Cb 1.59 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 43.58 2k48 h LEU 101 CO 0.13 -0.26 -0.04 0.58 -1.08 0.00 0.00 178.44 177.77 2k48 h VAL 102 N -0.30 1.27 0.00 1.22 2.07 -0.41 0.56 116.25 120.67 2k48 h VAL 102 Ca 0.07 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2k48 h VAL 102 Cb 0.40 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2k48 h VAL 102 CO -0.22 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.73 2k48 n ALA 103 N -2.41 1.82 0.00 1.67 0.00 -1.20 -1.82 120.51 118.56 2k48 n ALA 103 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k48 n ALA 103 Cb 0.31 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2k48 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k48 n ALA 104 N -0.73 1.53 0.18 0.00 0.00 -0.34 -4.67 120.51 116.48 2k48 n ALA 104 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.61 2k48 n ALA 104 Cb 0.01 0.03 0.73 0.00 0.00 0.00 0.00 19.45 20.22 2k48 n ALA 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k48 h GLN 105 N 0.00 0.00 0.00 0.00 3.07 -0.17 -2.39 115.11 115.62 2k48 h GLN 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k48 h GLN 105 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.67 2k48 h GLN 105 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 178.83 179.79 2k48 h LYS 106 N 0.00 0.00 -0.02 0.06 1.57 -1.82 -3.48 116.57 112.88 2k48 h LYS 106 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2k48 h LYS 106 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2k48 h LYS 106 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16