#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 s HIS 2 N 0.00 0.01 0.27 1.61 4.02 -1.26 -5.14 115.29 114.80 2k42 s HIS 2 Ca 0.00 -0.22 -0.11 0.00 1.02 0.00 0.00 55.06 55.76 2k42 s HIS 2 Cb 0.00 -0.60 -0.07 0.00 -1.02 0.00 0.00 32.58 30.89 2k42 s HIS 2 CO 0.00 -0.62 0.61 -1.64 1.02 0.00 0.00 174.74 174.11 2k42 s MET 3 N 2.21 3.83 0.00 1.40 1.00 -1.26 -4.56 119.30 121.93 2k42 s MET 3 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 55.69 56.10 2k42 s MET 3 Cb -0.16 -2.57 0.00 0.00 0.00 0.00 0.00 34.83 32.10 2k42 s MET 3 CO -0.16 0.24 0.00 0.43 0.00 0.00 0.00 175.02 175.53 2k42 n SER 4 N -0.35 0.00 0.00 3.03 7.64 -1.26 -4.91 113.62 117.77 2k42 n SER 4 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2k42 n SER 4 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2k42 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k42 n GLY 5 N 0.00 0.49 2.69 0.23 0.00 -1.26 -4.45 105.19 102.89 2k42 n GLY 5 Ca 0.00 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 2k42 n GLY 5 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k42 n PHE 6 N 3.52 3.07 -3.47 1.61 7.35 -1.26 -5.09 117.46 123.19 2k42 n PHE 6 Ca 0.00 -3.97 -0.35 0.00 -0.76 0.00 0.00 57.45 52.37 2k42 n PHE 6 Cb 0.00 -0.48 -0.06 0.00 0.35 0.00 0.00 39.48 39.29 2k42 n PHE 6 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2k42 s LYS 7 N -3.04 3.86 -0.62 -4.13 1.02 -1.26 -4.17 119.74 111.40 2k42 s LYS 7 Ca 0.45 0.32 -0.16 0.00 0.02 0.00 0.00 55.97 56.61 2k42 s LYS 7 Cb 0.27 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2k42 s LYS 7 CO -0.11 0.53 0.64 1.58 -0.92 0.00 0.00 175.35 177.07 2k42 n HIS 8 N 0.89 -2.67 0.00 3.18 -0.00 -1.26 -4.61 115.22 110.76 2k42 n HIS 8 Ca -0.07 1.08 0.00 0.00 -0.00 0.00 0.00 57.72 58.73 2k42 n HIS 8 Cb 0.52 -2.89 0.00 0.00 -0.00 0.00 0.00 29.99 27.62 2k42 n HIS 8 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2k42 n VAL 9 N -1.28 0.00 0.24 3.57 3.14 -1.26 -5.00 118.33 117.74 2k42 n VAL 9 Ca -0.12 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.33 2k42 n VAL 9 Cb 0.62 0.00 0.58 0.00 -1.06 0.00 0.00 33.84 33.98 2k42 n VAL 9 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 2k42 h SER 10 N 0.00 0.00 0.00 6.55 0.87 -1.82 -3.45 113.55 115.70 2k42 h SER 10 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k42 h SER 10 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k42 h SER 10 CO 0.00 0.10 0.00 1.41 -0.53 0.00 0.00 176.83 177.81 2k42 n HIS 11 N -4.36 0.00 0.00 2.24 8.25 -1.26 -4.48 115.22 115.61 2k42 n HIS 11 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2k42 n HIS 11 Cb 0.18 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.32 2k42 n HIS 11 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2k42 n VAL 12 N -2.21 0.00 0.00 1.59 3.14 -1.26 -1.80 118.33 117.79 2k42 n VAL 12 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k42 n VAL 12 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k42 n GLY 13 N 0.00 0.00 3.22 7.55 0.00 -1.26 -4.85 105.19 109.84 2k42 n GLY 13 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2k42 n GLY 13 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2k42 s TRP 14 N 0.00 2.31 -0.09 1.61 -0.00 -0.75 -0.23 118.94 121.79 2k42 s TRP 14 Ca 0.00 -0.78 -0.01 0.00 -0.00 0.00 0.00 56.10 55.31 2k42 s TRP 14 Cb 0.00 -1.53 -0.03 0.00 -0.00 0.00 0.00 33.47 31.90 2k42 s TRP 14 CO 0.00 -0.28 -0.04 0.34 -0.00 0.00 0.00 176.95 176.98 2k42 s ASP 15 N 0.08 4.90 0.23 5.86 -1.08 0.12 -4.93 116.67 121.85 2k42 s ASP 15 Ca -0.09 0.03 -0.14 0.00 -0.52 0.00 0.00 52.55 51.83 2k42 s ASP 15 Cb -0.15 -1.37 0.29 0.00 -1.46 0.00 0.00 42.92 40.24 2k42 s ASP 15 CO 0.05 0.34 1.58 1.55 0.52 0.00 0.00 175.17 179.22 2k42 h PRO 16 N 5.39 -0.03 0.00 4.34 0.13 -1.96 0.28 132.00 140.16 2k42 h PRO 16 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 2k42 h PRO 16 Cb 1.18 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2k42 h PRO 16 CO 0.54 -0.02 -2.10 1.04 -0.23 0.00 0.00 178.00 177.23 2k42 n GLN 17 N -5.51 1.30 0.13 0.86 3.00 -1.26 -4.48 117.38 111.42 2k42 n GLN 17 Ca 0.10 0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.23 2k42 n GLN 17 Cb 0.41 -1.41 0.32 0.00 0.00 0.00 0.00 30.24 29.56 2k42 n GLN 17 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2k42 h ASN 18 N 0.00 0.00 -1.14 1.08 2.35 -1.84 -3.35 115.58 112.68 2k42 h ASN 18 Ca -0.44 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2k42 h ASN 18 Cb 1.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.32 2k42 h ASN 18 CO 0.01 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 2k42 n GLY 19 N 1.25 -1.70 3.76 2.83 0.00 0.99 -4.51 105.19 107.81 2k42 n GLY 19 Ca 0.05 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 2k42 n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k42 s PHE 20 N 0.00 3.50 -0.81 1.61 0.40 0.96 0.13 117.98 123.77 2k42 s PHE 20 Ca 0.00 1.68 -0.26 0.00 -0.60 0.00 0.00 56.93 57.75 2k42 s PHE 20 Cb 0.00 -3.28 0.02 0.00 0.51 0.00 0.00 43.02 40.27 2k42 s PHE 20 CO 0.00 -0.63 1.50 -0.51 0.70 0.00 0.00 175.22 176.29 2k42 s ASP 21 N -0.98 5.98 0.50 1.36 1.01 0.67 -4.56 116.67 120.66 2k42 s ASP 21 Ca 0.47 -0.60 0.34 0.00 0.71 0.00 0.00 52.55 53.47 2k42 s ASP 21 Cb -0.31 -2.56 1.79 0.00 1.01 0.00 0.00 42.92 42.85 2k42 s ASP 21 CO 0.39 -1.95 2.04 1.62 0.21 0.00 0.00 175.17 177.48 2k42 h VAL 22 N 6.52 0.00 0.00 -1.27 3.04 -1.88 0.35 116.25 123.01 2k42 h VAL 22 Ca -0.11 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2k42 h VAL 22 Cb 1.05 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2k42 h VAL 22 CO 1.30 0.00 -0.24 -0.46 -1.01 0.00 0.00 177.57 177.16 2k42 n ASN 23 N -2.73 0.43 -0.93 3.17 0.23 -1.26 -3.89 115.26 110.28 2k42 n ASN 23 Ca -0.02 0.26 0.04 0.00 -0.53 0.00 0.00 54.58 54.34 2k42 n ASN 23 Cb 0.09 -0.25 0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2k42 n ASN 23 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k42 n ASN 24 N -1.78 1.16 -4.74 0.53 3.02 0.11 -5.09 115.26 108.48 2k42 n ASN 24 Ca 0.06 -2.64 -0.41 0.00 -0.03 0.00 0.00 54.58 51.56 2k42 n ASN 24 Cb 0.38 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k42 s LEU 25 N -1.19 4.45 0.22 3.41 1.43 -0.36 -4.89 118.68 121.75 2k42 s LEU 25 Ca 0.29 2.34 -0.32 0.00 -1.03 0.00 0.00 54.13 55.41 2k42 s LEU 25 Cb 0.31 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.79 2k42 s LEU 25 CO -0.09 -0.41 1.69 -0.67 0.23 0.00 0.00 176.35 177.10 2k42 n ASP 26 N 2.20 3.90 -0.22 2.29 -0.08 -1.26 -4.82 116.55 118.56 2k42 n ASP 26 Ca 0.04 1.07 0.22 0.00 -1.51 0.00 0.00 54.79 54.61 2k42 n ASP 26 Cb 0.44 -1.56 0.58 0.00 2.34 0.00 0.00 41.12 42.91 2k42 n ASP 26 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2k42 h PRO 27 N 6.42 0.27 0.13 -0.67 0.11 -1.98 0.41 132.00 136.69 2k42 h PRO 27 Ca -0.44 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 2k42 h PRO 27 Cb 1.21 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.28 2k42 h PRO 27 CO 0.93 0.18 -0.73 -0.44 -0.21 0.00 0.00 178.00 177.72 2k42 h ASP 28 N 0.28 0.43 -0.86 -2.05 3.32 -1.99 -2.87 116.42 112.68 2k42 h ASP 28 Ca 0.46 -0.96 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 2k42 h ASP 28 Cb 1.34 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 2k42 h ASP 28 CO -0.13 1.35 0.52 -0.07 -1.72 0.00 0.00 179.24 179.20 2k42 h LEU 29 N -0.42 1.03 -1.70 1.55 3.38 -1.66 0.21 115.31 117.69 2k42 h LEU 29 Ca -0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k42 h LEU 29 Cb 1.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2k42 h LEU 29 CO 0.14 0.78 0.13 -0.09 0.09 0.00 0.00 178.44 179.49 2k42 h ARG 30 N 1.18 0.33 -0.03 1.13 1.12 -0.30 0.37 114.38 118.18 2k42 h ARG 30 Ca 0.31 -0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 59.02 2k42 h ARG 30 Cb -0.06 -0.07 0.01 0.00 -0.01 0.00 0.00 29.97 29.84 2k42 h ARG 30 CO -0.06 0.25 -0.49 1.03 -3.11 0.00 0.00 179.97 177.59 2k42 h SER 31 N 0.33 0.49 0.28 -3.80 0.87 -1.08 -3.28 113.55 107.37 2k42 h SER 31 Ca 0.09 -0.72 -0.01 0.00 -1.23 0.00 0.00 61.79 59.91 2k42 h SER 31 Cb 0.02 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2k42 h SER 31 CO -0.01 1.14 -0.14 0.25 -0.53 0.00 0.00 176.83 177.54 2k42 h LEU 32 N -0.12 -0.32 -1.23 2.23 7.12 0.34 -2.92 115.31 120.41 2k42 h LEU 32 Ca -0.05 -0.21 0.15 0.00 0.13 0.00 0.00 57.88 57.90 2k42 h LEU 32 Cb 1.19 0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 41.32 2k42 h LEU 32 CO 0.10 0.10 0.59 -0.26 -0.13 0.00 0.00 178.44 178.84 2k42 h PHE 33 N -0.82 0.87 -0.69 1.25 0.04 -0.48 0.11 116.94 117.23 2k42 h PHE 33 Ca -0.04 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2k42 h PHE 33 Cb 0.51 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 2k42 h PHE 33 CO 0.04 0.31 0.36 1.03 -0.60 0.00 0.00 178.31 179.45 2k42 h SER 34 N 0.73 0.88 -0.36 2.17 0.87 -1.61 -0.09 113.55 116.15 2k42 h SER 34 Ca 0.47 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.87 2k42 h SER 34 Cb 0.73 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2k42 h SER 34 CO -0.23 0.74 0.06 0.03 -0.53 0.00 0.00 176.83 176.91 2k42 h ARG 35 N 0.95 0.68 0.00 2.24 3.08 -0.66 -2.59 114.38 118.08 2k42 h ARG 35 Ca 0.24 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2k42 h ARG 35 Cb 0.07 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2k42 h ARG 35 CO -0.04 0.65 0.00 0.00 -1.07 0.00 0.00 179.97 179.51 2k42 n ALA 36 N -2.47 2.16 -0.32 0.04 0.00 -0.22 -4.83 120.51 114.88 2k42 n ALA 36 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k42 n ALA 36 Cb 0.23 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2k42 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k42 n GLY 37 N 0.57 1.02 3.59 0.00 0.00 -0.94 -5.00 105.19 104.44 2k42 n GLY 37 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2k42 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k42 s ILE 38 N -2.82 3.70 0.62 -0.61 1.01 -0.15 -5.00 121.20 117.96 2k42 s ILE 38 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 60.65 61.35 2k42 s ILE 38 Cb 0.00 -4.04 0.12 0.00 0.01 0.00 0.00 42.46 38.54 2k42 s ILE 38 CO 0.00 -0.73 0.85 -0.24 0.00 0.00 0.00 174.94 174.82 2k42 n SER 39 N 9.75 1.39 -0.33 3.58 2.88 -1.26 -3.80 113.62 125.83 2k42 n SER 39 Ca 0.18 -2.12 0.02 0.00 -1.33 0.00 0.00 58.87 55.62 2k42 n SER 39 Cb 0.48 -0.53 0.20 0.00 -0.75 0.00 0.00 64.21 63.61 2k42 n SER 39 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2k42 h GLU 40 N 0.00 1.11 -0.66 -1.46 5.08 -1.98 -1.28 114.58 115.39 2k42 h GLU 40 Ca -0.28 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2k42 h GLU 40 Cb 1.10 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2k42 h GLU 40 CO 0.33 0.73 0.42 0.00 -1.00 0.00 0.00 179.01 179.49 2k42 h ALA 41 N 1.47 0.83 -0.27 3.43 0.00 -1.95 -1.98 119.26 120.79 2k42 h ALA 41 Ca 0.39 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2k42 h ALA 41 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2k42 h ALA 41 CO -0.13 0.28 -0.20 1.96 0.00 0.00 0.00 179.25 181.15 2k42 h GLN 42 N 0.89 0.49 0.00 0.00 4.20 -1.64 -1.28 115.11 117.78 2k42 h GLN 42 Ca 0.24 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2k42 h GLN 42 Cb -0.08 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2k42 h GLN 42 CO -0.05 0.67 0.00 1.28 -0.67 0.00 0.00 178.83 180.06 2k42 n LEU 43 N -4.15 0.00 -0.28 1.46 4.77 -0.68 -2.12 117.00 116.00 2k42 n LEU 43 Ca -0.00 0.40 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 2k42 n LEU 43 Cb 0.37 -0.40 0.12 0.00 -2.33 0.00 0.00 43.42 41.19 2k42 n LEU 43 CO 0.41 -0.07 0.58 0.35 -1.33 0.00 0.00 177.39 177.34 2k42 n THR 44 N -1.40 1.56 -3.13 -5.08 -2.24 -0.73 -0.03 114.28 103.24 2k42 n THR 44 Ca 0.09 -1.63 -0.28 0.00 -2.27 0.00 0.00 64.05 59.96 2k42 n THR 44 Cb 0.25 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 2k42 n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k42 s ASP 45 N -1.86 6.39 -0.01 3.42 2.15 -0.56 -4.68 116.67 121.52 2k42 s ASP 45 Ca 0.23 0.76 -0.03 0.00 0.43 0.00 0.00 52.55 53.94 2k42 s ASP 45 Cb 0.18 -2.17 -0.02 0.00 -0.30 0.00 0.00 42.92 40.62 2k42 s ASP 45 CO 0.05 -0.33 0.49 0.00 -0.17 0.00 0.00 175.17 175.22 2k42 h ALA 46 N 1.12 -0.47 -0.02 3.66 0.00 -1.87 -3.16 119.26 118.51 2k42 h ALA 46 Ca -0.48 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2k42 h ALA 46 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k42 h ALA 46 CO 0.64 -0.47 -0.89 1.05 0.00 0.00 0.00 179.25 179.58 2k42 h GLU 47 N -0.22 0.43 0.66 0.00 4.11 -1.91 -2.84 114.58 114.80 2k42 h GLU 47 Ca -0.01 -0.43 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 2k42 h GLU 47 Cb 0.09 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k42 h GLU 47 CO 0.02 1.09 -0.51 1.15 0.07 0.00 0.00 179.01 180.83 2k42 h THR 48 N 0.25 0.00 -0.89 -1.06 2.02 -1.84 -1.16 112.91 110.23 2k42 h THR 48 Ca -0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.16 2k42 h THR 48 Cb 1.52 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 2k42 h THR 48 CO 0.16 0.00 0.57 0.28 0.37 0.00 0.00 175.52 176.89 2k42 h SER 49 N -1.12 0.93 -0.89 4.18 0.02 -1.57 0.26 113.55 115.36 2k42 h SER 49 Ca -0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2k42 h SER 49 Cb 0.93 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 2k42 h SER 49 CO 0.02 0.62 0.54 0.50 -1.14 0.00 0.00 176.83 177.37 2k42 h LYS 50 N 1.07 1.20 0.00 3.45 3.64 -1.35 -0.22 116.57 124.36 2k42 h LYS 50 Ca 0.37 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2k42 h LYS 50 Cb 0.08 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2k42 h LYS 50 CO -0.14 0.83 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.36 2k42 h LEU 51 N 1.21 0.00 -0.19 5.20 3.38 -0.32 0.16 115.31 124.76 2k42 h LEU 51 Ca 0.32 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 2k42 h LEU 51 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2k42 h LEU 51 CO -0.06 0.00 0.02 0.40 0.09 0.00 0.00 178.44 178.89 2k42 h ILE 52 N 0.00 1.24 -0.75 1.22 2.04 0.00 0.05 117.51 121.31 2k42 h ILE 52 Ca 0.00 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 2k42 h ILE 52 Cb 1.00 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2k42 h ILE 52 CO 0.00 0.24 0.26 0.22 0.00 0.00 0.00 178.15 178.87 2k42 h TYR 53 N 0.10 1.19 -0.95 1.37 3.20 -0.93 -0.32 116.97 120.63 2k42 h TYR 53 Ca 0.06 -0.11 0.11 0.00 3.14 0.00 0.00 58.73 61.93 2k42 h TYR 53 Cb 0.34 -0.35 -0.08 0.00 1.54 0.00 0.00 36.73 38.18 2k42 h TYR 53 CO 0.03 0.92 0.58 0.22 -1.64 0.00 0.00 178.16 178.27 2k42 h ASP 54 N 1.11 0.85 0.05 -2.11 3.58 -0.89 0.23 116.42 119.24 2k42 h ASP 54 Ca 0.25 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 2k42 h ASP 54 Cb 0.28 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k42 h ASP 54 CO -0.01 0.46 -0.02 0.15 -2.88 0.00 0.00 179.24 176.94 2k42 h PHE 55 N 0.94 -0.06 -0.60 0.28 3.57 0.17 0.09 116.94 121.32 2k42 h PHE 55 Ca 0.46 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.90 2k42 h PHE 55 Cb 0.44 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2k42 h PHE 55 CO -0.02 0.02 0.14 0.82 -2.23 0.00 0.00 178.31 177.04 2k42 h ILE 56 N -0.13 1.25 -0.71 1.41 2.04 -0.33 -1.74 117.51 119.30 2k42 h ILE 56 Ca -0.01 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 2k42 h ILE 56 Cb 0.12 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2k42 h ILE 56 CO 0.01 0.34 0.27 -0.08 0.00 0.00 0.00 178.15 178.69 2k42 h GLU 57 N 0.88 1.05 -0.90 2.37 4.57 -0.54 -1.15 114.58 120.86 2k42 h GLU 57 Ca 0.19 -0.19 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2k42 h GLU 57 Cb 0.36 -0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.72 2k42 h GLU 57 CO 0.00 0.87 0.58 0.22 -1.18 0.00 0.00 179.01 179.49 2k42 h ASP 58 N 1.03 0.94 0.71 1.04 1.82 -0.28 -1.96 116.42 119.72 2k42 h ASP 58 Ca 0.24 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 2k42 h ASP 58 Cb 0.22 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2k42 h ASP 58 CO -0.02 0.62 0.00 1.56 -1.61 0.00 0.00 179.24 179.80 2k42 h GLN 59 N 1.09 0.00 0.00 0.28 1.08 -0.90 -3.45 115.11 113.21 2k42 h GLN 59 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2k42 h GLN 59 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2k42 h GLN 59 CO -0.14 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.15 2k42 n GLY 60 N -0.06 1.30 0.00 3.46 0.00 -0.74 -4.82 105.19 104.34 2k42 n GLY 60 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k42 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k42 n GLY 61 N -0.05 0.71 0.18 -0.02 0.00 -0.48 -4.80 105.19 100.74 2k42 n GLY 61 Ca 0.00 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 2k42 n GLY 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k42 h LEU 62 N 0.00 0.73 -1.71 0.99 3.38 -1.96 -3.06 115.31 113.67 2k42 h LEU 62 Ca 0.00 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 2k42 h LEU 62 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2k42 h LEU 62 CO 0.00 1.30 -0.16 -0.33 0.09 0.00 0.00 178.44 179.34 2k42 h GLU 63 N 0.22 0.00 -0.36 1.13 5.08 -1.95 -2.93 114.58 115.76 2k42 h GLU 63 Ca -0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2k42 h GLU 63 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2k42 h GLU 63 CO 0.14 0.16 0.03 0.00 -1.00 0.00 0.00 179.01 178.34 2k42 h ALA 64 N 1.84 0.49 -0.39 3.43 0.00 -1.84 -2.67 119.26 120.11 2k42 h ALA 64 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2k42 h ALA 64 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k42 h ALA 64 CO 0.02 0.22 -0.03 0.28 0.00 0.00 0.00 179.25 179.74 2k42 h VAL 65 N 0.45 1.23 0.00 0.00 2.07 -1.59 -0.97 116.25 117.44 2k42 h VAL 65 Ca 0.11 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2k42 h VAL 65 Cb 0.40 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2k42 h VAL 65 CO 0.01 0.32 -0.15 0.03 0.02 0.00 0.00 177.57 177.80 2k42 h ARG 66 N 0.60 0.00 -0.07 1.57 3.08 -1.52 -2.47 114.38 115.57 2k42 h ARG 66 Ca 0.12 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 2k42 h ARG 66 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.49 2k42 h ARG 66 CO 0.02 0.15 -0.78 1.96 -1.07 0.00 0.00 179.97 180.25 2k42 h GLN 67 N 0.00 0.64 -0.10 0.04 4.20 -0.86 -3.24 115.11 115.79 2k42 h GLN 67 Ca -0.00 -0.60 0.01 0.00 0.06 0.00 0.00 58.65 58.12 2k42 h GLN 67 Cb 0.27 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2k42 h GLN 67 CO 0.02 1.21 0.07 0.93 -0.67 0.00 0.00 178.83 180.39 2k42 h GLU 68 N 0.29 0.08 0.00 1.46 4.39 -0.92 0.27 114.58 120.16 2k42 h GLU 68 Ca -0.08 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2k42 h GLU 68 Cb 1.43 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.06 2k42 h GLU 68 CO 0.16 0.06 -0.04 0.52 -1.16 0.00 0.00 179.01 178.54 2k42 h MET 69 N 0.09 0.00 -0.05 2.33 2.86 -1.53 -0.49 114.93 118.14 2k42 h MET 69 Ca 0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2k42 h MET 69 Cb 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2k42 h MET 69 CO -0.01 0.04 -0.07 2.89 1.06 0.00 0.00 176.91 180.83 2k42 n ARG 70 N -4.07 1.58 0.00 1.72 1.85 -0.13 -4.89 116.66 112.73 2k42 n ARG 70 Ca -0.03 -2.73 0.00 0.00 -1.00 0.00 0.00 57.85 54.09 2k42 n ARG 70 Cb 0.13 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 2k42 n ARG 70 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2k42 n ARG 71 N -1.25 0.00 0.00 2.89 0.00 -0.10 -5.07 116.66 113.13 2k42 n ARG 71 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 2k42 n ARG 71 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.16 2k42 n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63