#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk3 h PRO 14 N 0.00 0.07 -0.12 3.69 0.11 -1.96 0.50 132.00 134.28 1pk3 h PRO 14 Ca 0.00 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1pk3 h PRO 14 Cb 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1pk3 h PRO 14 CO 0.00 0.04 0.24 0.97 -0.21 0.00 0.00 178.00 179.04 1pk3 h ILE 15 N 0.07 0.23 -0.01 4.15 6.09 -1.95 0.11 117.51 126.19 1pk3 h ILE 15 Ca 0.53 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.02 1pk3 h ILE 15 Cb 1.04 0.79 0.00 0.00 0.47 0.00 0.00 36.82 39.12 1pk3 h ILE 15 CO -0.81 0.00 -0.56 0.47 -3.07 0.00 0.00 178.15 174.19 1pk3 n ASP 16 N -3.37 1.74 -4.76 2.19 8.00 0.17 -3.79 116.55 116.73 1pk3 n ASP 16 Ca 0.00 -1.35 -0.39 0.00 0.71 0.00 0.00 54.79 53.76 1pk3 n ASP 16 Cb 0.34 0.54 0.01 0.00 -0.02 0.00 0.00 41.12 41.99 1pk3 n ASP 16 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1pk3 s TRP 17 N -2.58 2.54 0.75 1.24 0.51 0.02 -4.87 118.94 116.55 1pk3 s TRP 17 Ca 0.17 1.33 -0.06 0.00 -2.12 0.00 0.00 56.10 55.42 1pk3 s TRP 17 Cb 0.18 -3.82 0.11 0.00 -0.81 0.00 0.00 33.47 29.13 1pk3 s TRP 17 CO 0.62 -2.66 1.05 0.95 -0.51 0.00 0.00 176.95 176.41 1pk3 s THR 18 N -1.24 2.20 0.16 2.01 -4.23 -1.26 -0.45 115.64 112.83 1pk3 s THR 18 Ca 0.61 -0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 60.60 1pk3 s THR 18 Cb -0.41 -2.84 0.02 0.00 1.34 0.00 0.00 72.50 70.61 1pk3 s THR 18 CO 0.52 0.00 1.77 0.40 -0.54 0.00 0.00 174.62 176.78 1pk3 h ILE 19 N -0.74 0.96 -0.28 2.99 2.04 -1.91 -1.65 117.51 118.93 1pk3 h ILE 19 Ca -0.41 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1pk3 h ILE 19 Cb 1.28 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1pk3 h ILE 19 CO 0.48 0.07 -0.03 -0.33 0.00 0.00 0.00 178.15 178.34 1pk3 h GLU 20 N 0.37 0.43 -0.11 2.37 4.39 -1.94 -1.72 114.58 118.36 1pk3 h GLU 20 Ca 0.16 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 1pk3 h GLU 20 Cb 0.08 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1pk3 h GLU 20 CO -0.12 0.48 -0.50 0.93 -1.16 0.00 0.00 179.01 178.64 1pk3 h GLU 21 N 0.41 0.30 -0.28 2.33 5.08 -1.80 -0.24 114.58 120.39 1pk3 h GLU 21 Ca 0.09 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1pk3 h GLU 21 Cb 0.32 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1pk3 h GLU 21 CO 0.01 0.74 0.01 0.28 -1.00 0.00 0.00 179.01 179.04 1pk3 h VAL 22 N 0.24 1.25 -0.34 3.13 2.07 -0.70 -0.76 116.25 121.15 1pk3 h VAL 22 Ca 0.01 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1pk3 h VAL 22 Cb 0.97 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1pk3 h VAL 22 CO 0.08 0.29 0.17 0.40 0.02 0.00 0.00 177.57 178.53 1pk3 h ILE 23 N 0.27 1.15 -0.62 4.57 2.04 -1.15 -0.97 117.51 122.80 1pk3 h ILE 23 Ca 0.08 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.57 1pk3 h ILE 23 Cb 0.41 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1pk3 h ILE 23 CO 0.01 0.16 0.35 1.56 0.00 0.00 0.00 178.15 180.23 1pk3 h GLN 24 N 0.42 0.65 -0.23 2.37 4.20 -0.93 0.84 115.11 122.43 1pk3 h GLN 24 Ca 0.12 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.80 1pk3 h GLN 24 Cb 0.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1pk3 h GLN 24 CO -0.02 0.43 0.13 -0.92 -0.67 0.00 0.00 178.83 177.79 1pk3 h TYR 25 N 0.67 0.25 0.17 2.96 3.20 -0.73 -1.76 116.97 121.73 1pk3 h TYR 25 Ca 0.27 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1pk3 h TYR 25 Cb 0.12 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1pk3 h TYR 25 CO -0.07 0.15 -0.08 0.82 -1.64 0.00 0.00 178.16 177.34 1pk3 h ILE 26 N 0.28 0.94 -0.25 1.81 2.04 -0.71 -3.01 117.51 118.61 1pk3 h ILE 26 Ca 0.09 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1pk3 h ILE 26 Cb -0.01 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1pk3 h ILE 26 CO -0.04 0.13 0.16 -0.33 0.00 0.00 0.00 178.15 178.07 1pk3 h GLU 27 N -0.50 0.33 -0.05 2.37 5.08 -0.85 -1.79 114.58 119.17 1pk3 h GLU 27 Ca -0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1pk3 h GLU 27 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1pk3 h GLU 27 CO 0.04 0.23 -0.14 0.66 -1.00 0.00 0.00 179.01 178.81 1pk3 h SER 28 N 0.33 0.08 1.15 1.42 4.64 -1.42 -2.85 113.55 116.91 1pk3 h SER 28 Ca 0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1pk3 h SER 28 Cb -0.02 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1pk3 h SER 28 CO -0.02 0.22 -0.84 0.78 -0.87 0.00 0.00 176.83 176.10 1pk3 h ASN 29 N 0.08 0.00 -1.72 4.97 2.35 -1.37 -3.43 115.58 116.46 1pk3 h ASN 29 Ca 0.02 -0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 1pk3 h ASN 29 Cb 0.29 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.38 1pk3 h ASN 29 CO 0.02 0.00 -0.57 -0.62 -1.65 0.00 0.00 177.43 174.61 1pk3 s ASP 30 N -5.48 0.48 0.52 5.81 -1.08 -0.69 -5.03 116.67 111.20 1pk3 s ASP 30 Ca 0.01 -0.71 0.23 0.00 -0.52 0.00 0.00 52.55 51.56 1pk3 s ASP 30 Cb 0.09 1.02 1.35 0.00 -1.46 0.00 0.00 42.92 43.92 1pk3 s ASP 30 CO 0.77 -0.32 2.00 -1.13 0.52 0.00 0.00 175.17 177.01 1pk3 h ASN 31 N 7.83 0.05 0.40 -0.34 -0.73 -1.81 -0.44 115.58 120.54 1pk3 h ASN 31 Ca -0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.12 1pk3 h ASN 31 Cb 1.11 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.69 1pk3 h ASN 31 CO 0.24 0.02 0.00 -1.54 -0.37 0.00 0.00 177.43 175.79 1pk3 n SER 32 N -4.40 0.00 -0.12 1.15 3.41 -1.26 -2.01 113.62 110.39 1pk3 n SER 32 Ca 0.09 0.48 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1pk3 n SER 32 Cb 0.55 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1pk3 n SER 32 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pk3 n LEU 33 N -1.49 1.11 -0.12 1.04 4.77 -0.17 -4.35 117.00 117.78 1pk3 n LEU 33 Ca 0.03 -0.43 0.11 0.00 -0.03 0.00 0.00 56.01 55.69 1pk3 n LEU 33 Cb 0.14 -0.06 0.46 0.00 -2.33 0.00 0.00 43.42 41.63 1pk3 n LEU 33 CO 0.11 0.25 1.20 0.00 -1.33 0.00 0.00 177.39 177.61 1pk3 h ALA 34 N 3.23 1.95 0.00 -1.18 0.00 -1.51 0.56 119.26 122.31 1pk3 h ALA 34 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pk3 h ALA 34 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pk3 h ALA 34 CO 0.00 -0.10 -0.00 -0.24 0.00 0.00 0.00 179.25 178.91 1pk3 h VAL 35 N 0.49 0.09 -0.02 0.00 3.04 -1.79 -1.45 116.25 116.61 1pk3 h VAL 35 Ca 0.30 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1pk3 h VAL 35 Cb 0.53 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1pk3 h VAL 35 CO -0.09 0.00 -0.17 1.41 -1.01 0.00 0.00 177.57 177.71 1pk3 n HIS 36 N -3.20 0.00 -0.34 3.17 -0.00 0.18 -4.52 115.22 110.50 1pk3 n HIS 36 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.78 1pk3 n HIS 36 Cb 0.10 0.00 0.25 0.00 -0.00 0.00 0.00 29.99 30.34 1pk3 n HIS 36 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1pk3 h GLY 37 N 4.51 1.61 2.00 -1.41 0.00 -1.16 -0.71 103.07 107.91 1pk3 h GLY 37 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1pk3 h GLY 37 CO 0.00 0.06 -0.05 -1.80 0.00 0.00 0.00 176.54 174.76 1pk3 h ASP 38 N 0.85 0.00 0.10 0.19 -0.00 -1.79 -1.62 116.42 114.15 1pk3 h ASP 38 Ca 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 57.47 1pk3 h ASP 38 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.93 1pk3 h ASP 38 CO -0.31 0.05 -0.20 -0.07 -0.00 0.00 0.00 179.24 178.70 1pk3 h LEU 39 N 0.00 0.19 -0.96 2.28 3.38 -1.44 -1.05 115.31 117.71 1pk3 h LEU 39 Ca -0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1pk3 h LEU 39 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1pk3 h LEU 39 CO 0.01 0.41 -0.46 -0.26 0.09 0.00 0.00 178.44 178.22 1pk3 h PHE 40 N 0.18 0.00 -0.01 1.13 -1.00 -1.37 -1.12 116.94 114.76 1pk3 h PHE 40 Ca 0.03 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1pk3 h PHE 40 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1pk3 h PHE 40 CO 0.01 0.46 -0.07 0.00 -1.61 0.00 0.00 178.31 177.10 1pk3 h ARG 41 N 0.00 0.07 -0.90 1.51 3.08 -1.37 -0.00 114.38 116.77 1pk3 h ARG 41 Ca -0.00 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1pk3 h ARG 41 Cb 0.91 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.91 1pk3 h ARG 41 CO 0.06 0.74 0.57 -0.22 -1.07 0.00 0.00 179.97 180.05 1pk3 h LYS 42 N -0.59 1.01 -0.47 0.04 3.64 -1.09 -2.05 116.57 117.06 1pk3 h LYS 42 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1pk3 h LYS 42 Cb 0.76 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1pk3 h LYS 42 CO 0.01 0.67 0.00 0.72 -2.27 0.00 0.00 179.45 178.58 1pk3 n HIS 43 N -4.58 0.62 -3.80 1.91 8.25 -0.43 -4.97 115.22 112.22 1pk3 n HIS 43 Ca 0.13 -0.31 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 1pk3 n HIS 43 Cb 0.16 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.30 1pk3 n HIS 43 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1pk3 n GLU 44 N 1.07 -1.63 -3.07 -0.41 1.02 -0.77 -4.93 120.64 111.93 1pk3 n GLU 44 Ca 0.18 0.39 -0.44 0.00 -0.02 0.00 0.00 57.16 57.27 1pk3 n GLU 44 Cb 0.47 -4.02 -0.04 0.00 -0.02 0.00 0.00 31.44 27.83 1pk3 n GLU 44 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pk3 s ILE 45 N -3.60 4.78 0.20 -3.67 -1.09 -0.07 -4.94 121.20 112.80 1pk3 s ILE 45 Ca 0.36 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 1pk3 s ILE 45 Cb -0.14 -4.54 0.04 0.00 -1.58 0.00 0.00 42.46 36.23 1pk3 s ILE 45 CO 0.88 -1.21 0.27 -0.90 -1.23 0.00 0.00 174.94 172.76 1pk3 n ASP 46 N 6.44 0.41 -0.16 3.58 5.68 -1.26 -4.37 116.55 126.87 1pk3 n ASP 46 Ca -0.05 -1.33 -0.05 0.00 -0.50 0.00 0.00 54.79 52.86 1pk3 n ASP 46 Cb 0.44 -0.17 0.04 0.00 -1.14 0.00 0.00 41.12 40.29 1pk3 n ASP 46 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1pk3 h GLY 47 N -0.14 0.69 1.01 6.12 0.00 -0.93 0.11 103.07 109.92 1pk3 h GLY 47 Ca -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1pk3 h GLY 47 CO 0.10 0.13 0.53 0.50 0.00 0.00 0.00 176.54 177.80 1pk3 h LYS 48 N 0.51 1.06 -0.37 4.80 1.57 -1.74 -2.25 116.57 120.15 1pk3 h LYS 48 Ca 0.21 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1pk3 h LYS 48 Cb 0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1pk3 h LYS 48 CO -0.14 0.70 -0.38 0.00 -0.57 0.00 0.00 179.45 179.06 1pk3 h ALA 49 N 1.29 0.63 -0.81 3.86 0.00 -1.84 -3.13 119.26 119.28 1pk3 h ALA 49 Ca 0.29 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1pk3 h ALA 49 Cb -0.13 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 1pk3 h ALA 49 CO -0.06 0.67 0.47 1.25 0.00 0.00 0.00 179.25 181.58 1pk3 h LEU 50 N 0.72 0.68 -0.09 0.00 5.85 -0.35 -0.67 115.31 121.44 1pk3 h LEU 50 Ca 0.06 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1pk3 h LEU 50 Cb 0.96 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1pk3 h LEU 50 CO 0.09 0.41 0.00 0.18 -0.34 0.00 0.00 178.44 178.78 1pk3 n LEU 51 N -4.73 0.08 -0.31 2.25 4.77 -0.89 -2.25 117.00 115.92 1pk3 n LEU 51 Ca 0.13 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.70 1pk3 n LEU 51 Cb 0.24 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1pk3 n LEU 51 CO 0.28 -0.33 0.23 0.54 -1.33 0.00 0.00 177.39 176.79 1pk3 n ARG 52 N -1.59 1.81 -2.69 3.23 5.12 -0.30 -5.00 116.66 117.25 1pk3 n ARG 52 Ca 0.03 -0.72 -0.35 0.00 -1.93 0.00 0.00 57.85 54.88 1pk3 n ARG 52 Cb 0.15 -1.22 -0.06 0.00 -1.16 0.00 0.00 32.46 30.18 1pk3 n ARG 52 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1pk3 s LEU 53 N -1.95 4.10 0.25 0.55 2.96 -0.96 -5.08 118.68 118.55 1pk3 s LEU 53 Ca 0.12 1.86 0.01 0.00 -0.22 0.00 0.00 54.13 55.90 1pk3 s LEU 53 Cb 0.12 -4.29 -0.04 0.00 0.50 0.00 0.00 46.19 42.47 1pk3 s LEU 53 CO 0.37 -0.37 0.12 0.54 -1.32 0.00 0.00 176.35 175.69 1pk3 s ASN 54 N -1.81 0.93 0.22 3.68 2.20 -1.26 -5.05 114.94 113.84 1pk3 s ASN 54 Ca 0.58 -1.43 -0.08 0.00 -0.94 0.00 0.00 52.86 50.99 1pk3 s ASN 54 Cb -0.16 0.28 0.23 0.00 -2.00 0.00 0.00 41.25 39.60 1pk3 s ASN 54 CO 0.21 -0.80 1.86 0.28 -2.94 0.00 0.00 177.10 175.71 1pk3 h SER 55 N 2.42 0.80 -0.75 3.54 0.02 -1.98 -2.29 113.55 115.31 1pk3 h SER 55 Ca -0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1pk3 h SER 55 Cb 1.25 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 1pk3 h SER 55 CO 0.56 0.55 0.46 -0.08 -1.14 0.00 0.00 176.83 177.18 1pk3 h GLU 56 N 0.95 1.01 -0.43 3.45 4.81 -1.97 -1.27 114.58 121.14 1pk3 h GLU 56 Ca 0.32 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1pk3 h GLU 56 Cb 0.04 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1pk3 h GLU 56 CO -0.12 0.71 0.16 0.52 -0.73 0.00 0.00 179.01 179.54 1pk3 h MET 57 N 1.03 0.64 -0.89 1.92 2.86 -1.91 0.94 114.93 119.52 1pk3 h MET 57 Ca 0.27 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1pk3 h MET 57 Cb -0.06 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1pk3 h MET 57 CO -0.05 0.61 0.50 0.52 1.06 0.00 0.00 176.91 179.55 1pk3 h MET 58 N 0.54 1.23 -0.15 1.72 2.86 -1.09 0.26 114.93 120.31 1pk3 h MET 58 Ca 0.14 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 1pk3 h MET 58 Cb 0.22 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1pk3 h MET 58 CO -0.01 0.89 -0.40 0.52 1.06 0.00 0.00 176.91 178.97 1pk3 h MET 59 N 1.24 0.54 -0.16 1.72 2.07 -1.02 -1.62 114.93 117.71 1pk3 h MET 59 Ca 0.32 -0.38 -0.13 0.00 -2.07 0.00 0.00 59.70 57.44 1pk3 h MET 59 Cb 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 1pk3 h MET 59 CO -0.05 0.99 -0.40 -0.22 1.07 0.00 0.00 176.91 178.30 1pk3 h LYS 60 N 0.18 0.55 0.00 1.72 3.64 -0.60 -3.22 116.57 118.83 1pk3 h LYS 60 Ca -0.01 -0.38 -0.12 0.00 -1.27 0.00 0.00 60.65 58.87 1pk3 h LYS 60 Cb 1.01 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1pk3 h LYS 60 CO 0.09 1.00 -1.95 0.66 -2.27 0.00 0.00 179.45 176.97 1pk3 n TYR 61 N -4.28 0.00 0.84 1.91 4.02 0.90 -4.52 117.16 116.04 1pk3 n TYR 61 Ca -0.07 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.92 1pk3 n TYR 61 Cb 0.54 -0.58 0.06 0.00 -0.02 0.00 0.00 39.34 39.33 1pk3 n TYR 61 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1pk3 n MET 62 N -2.33 1.69 -1.20 -0.72 2.81 -0.64 -4.98 117.12 111.76 1pk3 n MET 62 Ca -0.13 -1.44 -0.07 0.00 -1.81 0.00 0.00 57.70 54.25 1pk3 n MET 62 Cb 0.70 -1.38 -0.03 0.00 -0.71 0.00 0.00 33.22 31.81 1pk3 n MET 62 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pk3 n GLY 63 N 1.18 0.85 3.80 3.03 0.00 -1.02 -4.98 105.19 108.05 1pk3 n GLY 63 Ca 0.10 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1pk3 n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk3 s LEU 64 N -1.55 4.14 0.70 0.99 1.43 -1.03 -4.99 118.68 118.38 1pk3 s LEU 64 Ca 0.00 1.79 -0.10 0.00 -1.03 0.00 0.00 54.13 54.79 1pk3 s LEU 64 Cb 0.00 -4.26 0.03 0.00 0.03 0.00 0.00 46.19 41.98 1pk3 s LEU 64 CO 0.00 -0.24 1.07 -0.54 0.23 0.00 0.00 176.35 176.87 1pk3 s LYS 65 N -2.59 2.69 0.21 1.70 -0.14 -1.26 -4.10 119.74 116.25 1pk3 s LYS 65 Ca 0.56 0.29 -0.10 0.00 -1.36 0.00 0.00 55.97 55.36 1pk3 s LYS 65 Cb -0.15 -2.06 0.28 0.00 -1.68 0.00 0.00 37.83 34.23 1pk3 s LYS 65 CO 0.19 -1.08 1.71 1.25 -0.76 0.00 0.00 175.35 176.67 1pk3 h LEU 66 N -0.63 0.03 0.15 3.17 5.85 -1.96 -2.20 115.31 119.72 1pk3 h LEU 66 Ca -0.45 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1pk3 h LEU 66 Cb 1.27 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 1pk3 h LEU 66 CO 0.63 0.03 -0.43 1.23 -0.34 0.00 0.00 178.44 179.56 1pk3 h GLY 67 N 0.28 -1.18 0.76 3.75 0.00 -2.00 -0.03 103.07 104.65 1pk3 h GLY 67 Ca 0.31 0.61 0.06 0.00 0.00 0.00 0.00 47.33 48.31 1pk3 h GLY 67 CO -0.38 -0.31 0.62 -2.55 0.00 0.00 0.00 176.54 173.92 1pk3 h PRO 68 N -0.65 1.11 -0.44 4.80 0.11 -1.93 -1.64 132.00 133.35 1pk3 h PRO 68 Ca -0.01 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1pk3 h PRO 68 Cb 0.64 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1pk3 h PRO 68 CO -0.21 0.73 0.29 0.00 -0.21 0.00 0.00 178.00 178.60 1pk3 h ALA 69 N 1.44 0.56 -0.64 -0.75 0.00 -1.06 -0.41 119.26 118.40 1pk3 h ALA 69 Ca 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1pk3 h ALA 69 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1pk3 h ALA 69 CO -0.17 0.03 0.24 -0.07 0.00 0.00 0.00 179.25 179.28 1pk3 h LEU 70 N 0.60 0.89 -0.96 0.00 3.38 -0.39 0.12 115.31 118.94 1pk3 h LEU 70 Ca 0.16 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1pk3 h LEU 70 Cb -0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1pk3 h LEU 70 CO -0.03 0.83 -0.13 0.11 0.09 0.00 0.00 178.44 179.31 1pk3 h LYS 71 N 0.90 0.61 -0.21 1.13 1.57 -1.02 -0.17 116.57 119.38 1pk3 h LYS 71 Ca 0.21 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1pk3 h LYS 71 Cb 0.23 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1pk3 h LYS 71 CO -0.02 0.72 -0.41 0.82 -0.57 0.00 0.00 179.45 180.00 1pk3 h ILE 72 N 0.55 1.32 -0.64 1.86 2.04 -0.82 -2.34 117.51 119.48 1pk3 h ILE 72 Ca 0.10 -1.63 0.07 0.00 1.00 0.00 0.00 64.86 64.40 1pk3 h ILE 72 Cb 0.55 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1pk3 h ILE 72 CO 0.03 0.51 0.32 0.00 0.00 0.00 0.00 178.15 179.02 1pk3 h ASN 74 N 0.59 0.98 -0.15 0.00 -1.24 -0.92 -1.47 115.58 113.37 1pk3 h ASN 74 Ca 0.30 -0.12 -0.08 0.00 0.71 0.00 0.00 56.30 57.11 1pk3 h ASN 74 Cb 0.26 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1pk3 h ASN 74 CO -0.22 0.83 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.53 1pk3 h LEU 75 N 1.07 0.52 -0.64 0.34 3.38 -0.81 -2.68 115.31 116.50 1pk3 h LEU 75 Ca 0.27 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1pk3 h LEU 75 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1pk3 h LEU 75 CO -0.04 0.70 -0.28 0.58 0.09 0.00 0.00 178.44 179.49 1pk3 h VAL 76 N 0.49 1.28 0.00 1.22 2.07 -0.77 -2.80 116.25 117.73 1pk3 h VAL 76 Ca 0.09 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1pk3 h VAL 76 Cb 0.54 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1pk3 h VAL 76 CO 0.03 0.47 -0.05 0.78 0.02 0.00 0.00 177.57 178.82 1pk3 h ASN 77 N 0.66 0.00 1.00 0.57 -0.26 -0.95 -1.43 115.58 115.17 1pk3 h ASN 77 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1pk3 h ASN 77 Cb 0.80 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 1pk3 h ASN 77 CO 0.07 0.05 0.00 0.11 -1.06 0.00 0.00 177.43 176.60 1pk3 h LYS 78 N 0.00 0.00 0.00 0.81 1.57 -1.30 -2.84 116.57 114.81 1pk3 h LYS 78 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1pk3 h LYS 78 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1pk3 h LYS 78 CO 0.01 0.00 -0.22 1.33 -0.57 0.00 0.00 179.45 180.00 1pk3 n VAL 79 N -2.65 1.62 -0.74 0.50 0.24 -0.62 -5.14 118.33 111.55 1pk3 n VAL 79 Ca 0.02 -2.12 0.00 0.00 -2.04 0.00 0.00 64.34 60.20 1pk3 n VAL 79 Cb 0.30 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1pk3 n VAL 79 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28