#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 1.39 -0.48 1.61 0.00 -1.26 -5.05 115.29 111.50 2k42 s HIS 2 Ca 0.00 -0.61 0.04 0.00 -3.00 0.00 0.00 55.06 51.49 2k42 s HIS 2 Cb 0.00 -1.12 0.17 0.00 -4.00 0.00 0.00 32.58 27.63 2k42 s HIS 2 CO 0.00 -0.40 0.38 -1.64 -1.00 0.00 0.00 174.74 172.07 2k42 s MET 3 N 1.30 1.29 -1.08 -0.38 1.00 -1.26 -5.06 119.30 115.10 2k42 s MET 3 Ca -0.03 -2.41 -0.23 0.00 0.00 0.00 0.00 55.69 53.02 2k42 s MET 3 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 34.83 32.74 2k42 s MET 3 CO -0.03 -1.36 1.88 -1.12 0.00 0.00 0.00 175.02 174.38 2k42 s SER 4 N -0.31 5.39 0.00 3.03 0.01 -1.26 -4.88 113.70 115.68 2k42 s SER 4 Ca 0.31 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.18 2k42 s SER 4 Cb 0.02 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2k42 s SER 4 CO -0.19 -2.63 0.00 0.61 0.41 0.00 0.00 173.24 171.45 2k42 n GLY 5 N 6.22 1.95 0.00 3.44 0.00 -1.26 -5.16 105.19 110.39 2k42 n GLY 5 Ca 0.43 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2k42 n GLY 5 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2k42 n PHE 6 N 0.00 -0.82 0.30 1.61 -1.74 -1.26 -5.01 117.46 110.54 2k42 n PHE 6 Ca 0.00 0.00 0.18 0.00 -0.56 0.00 0.00 57.45 57.07 2k42 n PHE 6 Cb 0.00 0.00 0.85 0.00 1.52 0.00 0.00 39.48 41.85 2k42 n PHE 6 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 2k42 h LYS 7 N 0.00 0.00 -4.53 3.97 1.57 -1.98 -3.39 116.57 112.21 2k42 h LYS 7 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 2k42 h LYS 7 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 2k42 h LYS 7 CO 0.00 0.00 -0.59 -3.38 -0.57 0.00 0.00 179.45 174.91 2k42 s HIS 8 N -3.79 1.11 0.00 -1.35 -3.43 -1.25 -0.66 115.29 105.91 2k42 s HIS 8 Ca -0.01 -1.34 0.00 0.00 -0.80 0.00 0.00 55.06 52.91 2k42 s HIS 8 Cb 0.10 -0.51 0.00 0.00 -1.43 0.00 0.00 32.58 30.74 2k42 s HIS 8 CO 0.44 -0.66 0.00 0.28 -2.00 0.00 0.00 174.74 172.80 2k42 n VAL 9 N -0.27 0.00 -1.66 -5.38 0.31 -1.26 -4.94 118.33 105.13 2k42 n VAL 9 Ca 0.02 0.00 -0.54 0.00 -0.01 0.00 0.00 64.34 63.80 2k42 n VAL 9 Cb 0.66 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.52 2k42 n VAL 9 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2k42 n SER 10 N 1.71 2.14 -4.56 4.52 7.64 -1.26 -4.71 113.62 119.10 2k42 n SER 10 Ca 0.00 1.09 -0.15 0.00 1.01 0.00 0.00 58.87 60.82 2k42 n SER 10 Cb 0.00 -1.18 -0.07 0.00 -1.01 0.00 0.00 64.21 61.94 2k42 n SER 10 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2k42 n HIS 11 N 4.14 1.13 -0.20 1.43 8.25 -1.26 -4.75 115.22 123.97 2k42 n HIS 11 Ca 0.22 -0.01 0.17 0.00 -0.26 0.00 0.00 57.72 57.84 2k42 n HIS 11 Cb 0.17 -2.54 0.50 0.00 1.12 0.00 0.00 29.99 29.24 2k42 n HIS 11 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k42 h VAL 12 N 7.67 0.76 0.00 1.59 2.07 -1.99 -3.45 116.25 122.90 2k42 h VAL 12 Ca -0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2k42 h VAL 12 Cb 1.02 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2k42 h VAL 12 CO 1.03 0.08 0.00 0.61 0.02 0.00 0.00 177.57 179.31 2k42 n GLY 13 N -1.52 1.35 3.06 2.17 0.00 -1.26 -4.89 105.19 104.10 2k42 n GLY 13 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 1.72 -0.17 1.61 -0.00 -1.26 0.35 118.94 119.19 2k42 s TRP 14 Ca 0.00 -0.68 -0.05 0.00 -0.00 0.00 0.00 56.10 55.38 2k42 s TRP 14 Cb 0.00 -1.23 -0.03 0.00 -0.00 0.00 0.00 33.47 32.21 2k42 s TRP 14 CO 0.00 -0.33 -0.01 -0.51 -0.00 0.00 0.00 176.95 176.10 2k42 s ASP 15 N 0.65 4.97 0.60 5.86 1.01 0.45 -4.95 116.67 125.26 2k42 s ASP 15 Ca -0.14 -0.10 0.29 0.00 0.71 0.00 0.00 52.55 53.31 2k42 s ASP 15 Cb -0.16 -1.83 1.60 0.00 1.01 0.00 0.00 42.92 43.54 2k42 s ASP 15 CO 0.04 0.16 1.99 -0.65 0.21 0.00 0.00 175.17 176.92 2k42 h PRO 16 N 6.81 0.00 0.00 8.23 0.11 -1.96 0.54 132.00 145.73 2k42 h PRO 16 Ca -0.33 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.47 2k42 h PRO 16 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 2k42 h PRO 16 CO 0.64 0.00 -2.16 0.94 -0.21 0.00 0.00 178.00 177.21 2k42 n GLN 17 N -3.58 0.64 0.03 1.05 7.27 -1.26 -4.72 117.38 116.82 2k42 n GLN 17 Ca 0.04 0.10 -0.16 0.00 0.07 0.00 0.00 57.00 57.05 2k42 n GLN 17 Cb 0.47 -1.41 -0.14 0.00 2.41 0.00 0.00 30.24 31.57 2k42 n GLN 17 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2k42 h ASN 18 N 0.00 0.31 -2.97 1.69 -1.24 -1.77 -3.39 115.58 108.21 2k42 h ASN 18 Ca -0.46 -0.51 0.00 0.00 0.71 0.00 0.00 56.30 56.04 2k42 h ASN 18 Cb 1.76 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.71 2k42 h ASN 18 CO -0.06 1.44 0.00 0.61 -1.29 0.00 0.00 177.43 178.13 2k42 n GLY 19 N 1.71 -0.80 3.79 1.57 0.00 0.18 -4.43 105.19 107.21 2k42 n GLY 19 Ca -0.19 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.31 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 3.17 -0.84 1.61 0.08 0.15 -0.41 117.98 121.74 2k42 s PHE 20 Ca 0.00 1.62 -0.25 0.00 0.12 0.00 0.00 56.93 58.42 2k42 s PHE 20 Cb 0.00 -3.13 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2k42 s PHE 20 CO 0.00 -0.74 1.55 0.34 -0.10 0.00 0.00 175.22 176.27 2k42 s ASP 21 N -1.66 5.95 0.50 1.36 -1.08 0.15 -4.68 116.67 117.21 2k42 s ASP 21 Ca 0.61 -0.69 0.27 0.00 -0.52 0.00 0.00 52.55 52.22 2k42 s ASP 21 Cb -0.21 -2.56 1.28 0.00 -1.46 0.00 0.00 42.92 39.98 2k42 s ASP 21 CO 0.26 -1.98 1.98 1.62 0.52 0.00 0.00 175.17 177.58 2k42 h VAL 22 N 6.64 0.50 -0.01 1.11 3.04 -1.92 -0.31 116.25 125.31 2k42 h VAL 22 Ca -0.05 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 2k42 h VAL 22 Cb 1.05 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2k42 h VAL 22 CO 1.31 0.15 -0.28 -0.46 -1.01 0.00 0.00 177.57 177.28 2k42 n ASN 23 N -3.49 1.00 -0.40 3.17 6.94 -1.26 -3.41 115.26 117.81 2k42 n ASN 23 Ca -0.01 -0.85 0.07 0.00 -0.02 0.00 0.00 54.58 53.77 2k42 n ASN 23 Cb 0.31 0.15 0.16 0.00 -2.36 0.00 0.00 39.78 38.04 2k42 n ASN 23 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k42 n ASN 24 N -0.70 1.89 -4.67 0.53 3.02 -0.28 -5.05 115.26 110.00 2k42 n ASN 24 Ca 0.12 -3.38 -0.42 0.00 -0.03 0.00 0.00 54.58 50.87 2k42 n ASN 24 Cb 0.35 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 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 -2.80 4.34 0.12 3.41 1.43 -0.31 -4.91 118.68 119.97 2k42 s LEU 25 Ca 0.34 2.32 -0.33 0.00 -1.03 0.00 0.00 54.13 55.43 2k42 s LEU 25 Cb 0.31 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.86 2k42 s LEU 25 CO -0.03 -0.91 1.67 -0.67 0.23 0.00 0.00 176.35 176.64 2k42 n ASP 26 N 6.66 3.37 -0.16 2.29 -0.08 -1.26 -4.78 116.55 122.59 2k42 n ASP 26 Ca 0.17 1.05 0.25 0.00 -1.51 0.00 0.00 54.79 54.76 2k42 n ASP 26 Cb 0.42 -1.45 0.68 0.00 2.34 0.00 0.00 41.12 43.11 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 6.83 0.08 -0.17 -0.67 0.11 -1.98 0.28 132.00 136.48 2k42 h PRO 27 Ca -0.45 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 2k42 h PRO 27 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k42 h PRO 27 CO 0.91 0.05 -0.45 -0.44 -0.21 0.00 0.00 178.00 177.86 2k42 h ASP 28 N 0.08 0.69 -0.78 -2.05 5.19 -1.99 -1.08 116.42 116.48 2k42 h ASP 28 Ca 0.41 -0.58 -0.04 0.00 -0.62 0.00 0.00 57.03 56.20 2k42 h ASP 28 Cb 1.50 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.78 2k42 h ASP 28 CO -0.04 1.15 0.33 -0.07 -3.12 0.00 0.00 179.24 177.49 2k42 h LEU 29 N 0.27 1.05 -0.42 1.55 3.38 -1.23 -1.04 115.31 118.87 2k42 h LEU 29 Ca -0.01 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2k42 h LEU 29 Cb 1.07 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2k42 h LEU 29 CO 0.10 0.92 -0.12 0.03 0.09 0.00 0.00 178.44 179.46 2k42 h ARG 30 N 1.12 -0.02 -0.16 1.13 3.08 -0.42 0.95 114.38 120.06 2k42 h ARG 30 Ca 0.26 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.33 2k42 h ARG 30 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2k42 h ARG 30 CO -0.03 -0.01 0.05 1.03 -1.07 0.00 0.00 179.97 179.94 2k42 h SER 31 N -0.02 0.05 0.15 7.04 0.87 -0.70 -2.89 113.55 118.04 2k42 h SER 31 Ca 0.20 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2k42 h SER 31 Cb 0.33 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2k42 h SER 31 CO -0.44 0.05 -0.07 0.25 -0.53 0.00 0.00 176.83 176.09 2k42 h LEU 32 N 0.12 -0.17 -0.67 2.23 5.85 -0.54 -2.79 115.31 119.34 2k42 h LEU 32 Ca 0.07 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2k42 h LEU 32 Cb 0.05 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2k42 h LEU 32 CO -0.08 0.15 0.25 -0.26 -0.34 0.00 0.00 178.44 178.16 2k42 h PHE 33 N -0.49 1.04 -0.58 1.25 0.04 -0.87 0.28 116.94 117.61 2k42 h PHE 33 Ca -0.02 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 2k42 h PHE 33 Cb 0.39 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 2k42 h PHE 33 CO 0.02 0.82 0.24 1.03 -0.60 0.00 0.00 178.31 179.82 2k42 h SER 34 N 0.96 0.76 -0.08 2.17 0.87 -1.57 0.36 113.55 117.02 2k42 h SER 34 Ca 0.22 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.56 2k42 h SER 34 Cb 0.23 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2k42 h SER 34 CO -0.02 0.67 -0.38 0.03 -0.53 0.00 0.00 176.83 176.61 2k42 h ARG 35 N 0.82 0.59 0.00 2.24 3.08 -0.96 -3.00 114.38 117.15 2k42 h ARG 35 Ca 0.20 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2k42 h ARG 35 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2k42 h ARG 35 CO -0.02 0.88 0.00 0.00 -1.07 0.00 0.00 179.97 179.76 2k42 n ALA 36 N -2.50 2.63 0.00 0.04 0.00 0.89 -4.85 120.51 116.71 2k42 n ALA 36 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k42 n ALA 36 Cb 0.50 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.90 1.75 3.66 0.00 0.00 -0.69 -5.00 105.19 105.81 2k42 n GLY 37 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.46 3.43 0.52 -0.61 1.01 0.01 -4.96 121.20 118.14 2k42 s ILE 38 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 60.65 61.25 2k42 s ILE 38 Cb 0.00 -3.34 0.06 0.00 0.01 0.00 0.00 42.46 39.19 2k42 s ILE 38 CO 0.00 -0.05 0.72 -0.55 0.00 0.00 0.00 174.94 175.05 2k42 s SER 39 N 3.72 5.29 0.29 3.58 0.15 -1.26 -3.83 113.70 121.63 2k42 s SER 39 Ca 0.78 -0.63 0.03 0.00 0.70 0.00 0.00 55.95 56.83 2k42 s SER 39 Cb -0.36 -0.13 0.70 0.00 -1.71 0.00 0.00 66.02 64.53 2k42 s SER 39 CO 0.33 -1.13 1.72 -0.08 1.20 0.00 0.00 173.24 175.27 2k42 h GLU 40 N 0.32 0.48 0.15 5.44 4.81 -1.99 -1.54 114.58 122.26 2k42 h GLU 40 Ca -0.34 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2k42 h GLU 40 Cb 1.28 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2k42 h GLU 40 CO 0.43 0.32 -0.16 0.00 -0.73 0.00 0.00 179.01 178.87 2k42 h ALA 41 N 1.67 -0.31 -0.71 2.92 0.00 -1.95 -2.03 119.26 118.85 2k42 h ALA 41 Ca 0.55 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.43 2k42 h ALA 41 Cb 0.97 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2k42 h ALA 41 CO -0.47 -0.70 0.47 1.96 0.00 0.00 0.00 179.25 180.51 2k42 h GLN 42 N -0.35 0.88 0.00 0.00 4.20 -1.68 0.11 115.11 118.28 2k42 h GLN 42 Ca 0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2k42 h GLN 42 Cb 0.33 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2k42 h GLN 42 CO -0.05 0.58 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.59 2k42 h LEU 43 N 0.91 0.00 -3.20 1.46 3.38 -0.98 -1.63 115.31 115.25 2k42 h LEU 43 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2k42 h LEU 43 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k42 h LEU 43 CO -0.07 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.85 2k42 n THR 44 N -3.17 2.07 -3.62 0.22 -2.24 0.19 0.34 114.28 108.06 2k42 n THR 44 Ca -0.00 -1.71 -0.37 0.00 -2.27 0.00 0.00 64.05 59.69 2k42 n THR 44 Cb 0.28 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 2k42 n THR 44 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k42 s ASP 45 N -1.73 6.63 0.03 3.42 1.01 0.02 -4.69 116.67 121.35 2k42 s ASP 45 Ca 0.39 0.75 -0.16 0.00 0.71 0.00 0.00 52.55 54.24 2k42 s ASP 45 Cb 0.30 -2.18 -0.08 0.00 1.01 0.00 0.00 42.92 41.97 2k42 s ASP 45 CO 0.10 0.32 1.24 0.00 0.21 0.00 0.00 175.17 177.04 2k42 h ALA 46 N 5.07 -1.08 -0.57 5.23 0.00 -1.86 -0.69 119.26 125.37 2k42 h ALA 46 Ca -0.51 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 2k42 h ALA 46 Cb 1.22 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2k42 h ALA 46 CO 0.62 -1.05 0.03 1.05 0.00 0.00 0.00 179.25 179.90 2k42 h GLU 47 N -0.53 0.98 0.78 0.00 9.09 -1.93 -2.19 114.58 120.78 2k42 h GLU 47 Ca -0.05 -0.29 -0.04 0.00 0.05 0.00 0.00 59.36 59.03 2k42 h GLU 47 Cb 0.42 -0.10 0.01 0.00 -1.65 0.00 0.00 28.75 27.43 2k42 h GLU 47 CO 0.05 0.96 -0.40 1.15 0.05 0.00 0.00 179.01 180.83 2k42 h THR 48 N 0.87 0.19 -0.39 -1.06 2.02 -1.81 -1.72 112.91 111.01 2k42 h THR 48 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 2k42 h THR 48 Cb 0.50 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2k42 h THR 48 CO 0.02 0.00 0.09 0.77 0.37 0.00 0.00 175.52 176.77 2k42 h SER 49 N -1.08 0.52 -0.62 4.18 4.64 -1.08 0.90 113.55 121.01 2k42 h SER 49 Ca -0.11 -0.07 0.05 0.00 -0.47 0.00 0.00 61.79 61.19 2k42 h SER 49 Cb 0.83 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.74 2k42 h SER 49 CO 0.16 0.53 0.35 0.50 -0.87 0.00 0.00 176.83 177.50 2k42 h LYS 50 N 0.56 0.64 -0.01 4.77 3.64 -1.24 -0.55 116.57 124.38 2k42 h LYS 50 Ca 0.13 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.25 2k42 h LYS 50 Cb 0.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2k42 h LYS 50 CO -0.00 0.43 -0.91 -0.07 -2.27 0.00 0.00 179.45 176.62 2k42 h LEU 51 N 0.66 0.54 -0.07 5.20 -0.00 -0.32 -1.20 115.31 120.13 2k42 h LEU 51 Ca 0.27 -0.42 0.01 0.00 -0.00 0.00 0.00 57.88 57.74 2k42 h LEU 51 Cb 0.13 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 2k42 h LEU 51 CO -0.15 1.21 0.00 0.40 -0.00 0.00 0.00 178.44 179.90 2k42 h ILE 52 N 0.25 0.96 -0.61 1.22 2.04 -0.49 0.43 117.51 121.31 2k42 h ILE 52 Ca -0.07 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 2k42 h ILE 52 Cb 1.54 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2k42 h ILE 52 CO 0.16 0.00 0.01 0.22 0.00 0.00 0.00 178.15 178.54 2k42 h TYR 53 N 0.03 1.15 -0.93 1.37 3.20 -1.15 -1.27 116.97 119.36 2k42 h TYR 53 Ca 0.03 -0.19 0.09 0.00 3.14 0.00 0.00 58.73 61.79 2k42 h TYR 53 Cb 0.03 -0.30 -0.07 0.00 1.54 0.00 0.00 36.73 37.93 2k42 h TYR 53 CO -0.11 1.00 0.60 0.22 -1.64 0.00 0.00 178.16 178.24 2k42 h ASP 54 N 0.97 0.89 0.08 -2.11 3.58 -0.83 0.40 116.42 119.41 2k42 h ASP 54 Ca 0.17 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2k42 h ASP 54 Cb 0.54 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k42 h ASP 54 CO 0.03 0.54 -0.04 0.15 -2.88 0.00 0.00 179.24 177.04 2k42 h PHE 55 N 0.99 -0.10 -0.81 0.28 3.57 0.47 0.13 116.94 121.46 2k42 h PHE 55 Ca 0.42 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.89 2k42 h PHE 55 Cb 0.32 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2k42 h PHE 55 CO -0.00 0.05 0.41 0.82 -2.23 0.00 0.00 178.31 177.36 2k42 h ILE 56 N -0.24 1.25 -0.24 1.41 2.04 -0.38 -1.94 117.51 119.40 2k42 h ILE 56 Ca -0.01 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.06 2k42 h ILE 56 Cb 0.20 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2k42 h ILE 56 CO 0.02 0.29 -0.33 -0.08 0.00 0.00 0.00 178.15 178.05 2k42 h GLU 57 N 1.14 0.50 -0.17 2.37 4.81 -0.16 -0.96 114.58 122.12 2k42 h GLU 57 Ca 0.28 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2k42 h GLU 57 Cb 0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2k42 h GLU 57 CO -0.04 0.77 -0.07 0.22 -0.73 0.00 0.00 179.01 179.17 2k42 h ASP 58 N 0.43 0.23 0.57 1.04 3.58 -0.00 -1.14 116.42 121.13 2k42 h ASP 58 Ca 0.05 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2k42 h ASP 58 Cb 0.78 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2k42 h ASP 58 CO 0.06 0.33 -0.04 0.00 -2.88 0.00 0.00 179.24 176.72 2k42 n GLN 59 N -4.33 0.42 0.00 0.28 1.13 -0.86 -4.88 117.38 109.14 2k42 n GLN 59 Ca -0.00 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2k42 n GLN 59 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 2k42 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k42 n GLY 60 N 1.31 0.89 0.00 1.08 0.00 -0.43 -4.83 105.19 103.22 2k42 n GLY 60 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.02 -0.67 0.30 -0.02 0.00 -0.38 -3.96 105.19 100.43 2k42 n GLY 61 Ca 0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.72 -2.13 0.99 4.07 -1.08 -2.31 115.31 114.13 2k42 h LEU 62 Ca 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 2k42 h LEU 62 Cb 0.00 0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 2k42 h LEU 62 CO 0.00 -0.39 -0.07 -0.33 -1.08 0.00 0.00 178.44 176.57 2k42 h GLU 63 N -0.57 0.00 -0.05 1.13 5.08 -1.94 -2.87 114.58 115.36 2k42 h GLU 63 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k42 h GLU 63 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k42 h GLU 63 CO -0.06 0.07 0.02 0.00 -1.00 0.00 0.00 179.01 178.04 2k42 h ALA 64 N 1.93 0.07 0.00 3.43 0.00 -1.73 -1.74 119.26 121.22 2k42 h ALA 64 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k42 h ALA 64 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k42 h ALA 64 CO 0.01 -0.33 -0.10 -0.39 0.00 0.00 0.00 179.25 178.44 2k42 h VAL 65 N -0.10 0.23 0.00 0.00 -1.51 -1.50 -1.89 116.25 111.47 2k42 h VAL 65 Ca 0.02 -0.86 -0.08 0.00 -1.23 0.00 0.00 66.70 64.54 2k42 h VAL 65 Cb 0.20 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2k42 h VAL 65 CO -0.00 0.09 -0.40 0.03 -1.23 0.00 0.00 177.57 176.07 2k42 h ARG 66 N 0.00 0.00 0.00 5.19 3.08 -1.35 -2.75 114.38 118.55 2k42 h ARG 66 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2k42 h ARG 66 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2k42 h ARG 66 CO 0.01 0.40 -0.83 1.96 -1.07 0.00 0.00 179.97 180.43 2k42 h GLN 67 N 0.00 0.00 0.00 0.04 4.20 -0.53 -3.08 115.11 115.73 2k42 h GLN 67 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2k42 h GLN 67 Cb 0.97 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 2k42 h GLN 67 CO 0.05 0.68 -0.09 0.93 -0.67 0.00 0.00 178.83 179.73 2k42 h GLU 68 N 0.00 0.00 -0.32 1.46 5.08 -1.15 -0.54 114.58 119.11 2k42 h GLU 68 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2k42 h GLU 68 Cb 1.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 2k42 h GLU 68 CO 0.09 0.09 0.14 0.52 -1.00 0.00 0.00 179.01 178.86 2k42 h MET 69 N 0.00 0.44 -0.33 2.33 2.86 -1.43 0.86 114.93 119.65 2k42 h MET 69 Ca -0.00 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2k42 h MET 69 Cb 0.29 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2k42 h MET 69 CO 0.01 0.35 0.01 2.89 1.06 0.00 0.00 176.91 181.24 2k42 n ARG 70 N -4.43 3.05 0.00 1.72 1.85 -0.32 -4.76 116.66 113.77 2k42 n ARG 70 Ca 0.02 -2.93 0.00 0.00 -1.00 0.00 0.00 57.85 53.94 2k42 n ARG 70 Cb 0.12 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.62 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 -0.45 0.00 0.00 2.89 0.00 -0.57 -5.08 116.66 113.46 2k42 n ARG 71 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 2k42 n ARG 71 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.44 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57