#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk1 h ILE 14 N 0.00 0.69 -0.33 4.25 2.04 -1.94 -1.13 117.51 121.08 1pk1 h ILE 14 Ca 0.00 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.78 1pk1 h ILE 14 Cb 0.00 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1pk1 h ILE 14 CO 0.00 0.09 0.40 0.77 0.00 0.00 0.00 178.15 179.41 1pk1 h SER 15 N 0.50 0.00 0.38 1.72 4.64 -1.97 0.16 113.55 118.98 1pk1 h SER 15 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1pk1 h SER 15 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1pk1 h SER 15 CO -0.38 0.00 -0.74 -1.54 -0.87 0.00 0.00 176.83 173.30 1pk1 n SER 16 N -3.64 0.65 -4.73 4.97 3.41 -0.44 -4.10 113.62 109.74 1pk1 n SER 16 Ca 0.05 -0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.84 1pk1 n SER 16 Cb 0.55 0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 65.04 1pk1 n SER 16 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1pk1 n TRP 17 N -1.62 2.55 -2.44 7.33 7.02 0.56 -4.88 117.44 125.97 1pk1 n TRP 17 Ca 0.04 0.50 -0.25 0.00 -1.02 0.00 0.00 57.50 56.78 1pk1 n TRP 17 Cb 0.36 -2.46 0.13 0.00 -2.42 0.00 0.00 31.31 26.92 1pk1 n TRP 17 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1pk1 s SER 18 N -0.27 4.06 0.26 -0.99 1.04 -1.26 -0.86 113.70 115.68 1pk1 s SER 18 Ca 0.55 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 1pk1 s SER 18 Cb -0.52 -0.08 0.34 0.00 0.10 0.00 0.00 66.02 65.86 1pk1 s SER 18 CO 0.62 -2.06 1.79 0.58 0.98 0.00 0.00 173.24 175.15 1pk1 h VAL 19 N -0.78 1.24 -0.44 5.02 2.07 -1.92 -1.66 116.25 119.77 1pk1 h VAL 19 Ca -0.38 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1pk1 h VAL 19 Cb 1.26 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1pk1 h VAL 19 CO 0.40 0.33 0.18 0.44 0.02 0.00 0.00 177.57 178.94 1pk1 h ASP 20 N 0.81 0.60 -0.50 0.57 3.32 -1.93 -0.55 116.42 118.74 1pk1 h ASP 20 Ca 0.17 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1pk1 h ASP 20 Cb 0.37 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1pk1 h ASP 20 CO 0.01 0.60 0.31 0.44 -1.72 0.00 0.00 179.24 178.87 1pk1 h ASP 21 N 0.57 0.50 -0.60 6.45 3.32 -1.81 -1.38 116.42 123.48 1pk1 h ASP 21 Ca 0.15 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1pk1 h ASP 21 Cb 0.18 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1pk1 h ASP 21 CO -0.01 0.36 0.18 0.58 -1.72 0.00 0.00 179.24 178.62 1pk1 h VAL 22 N 0.61 1.24 -0.50 -1.35 2.07 -1.06 -1.00 116.25 116.27 1pk1 h VAL 22 Ca 0.20 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1pk1 h VAL 22 Cb -0.00 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1pk1 h VAL 22 CO -0.08 0.32 0.15 0.77 0.02 0.00 0.00 177.57 178.75 1pk1 h SER 23 N 0.85 0.68 -0.41 0.57 4.64 -0.74 -0.08 113.55 119.07 1pk1 h SER 23 Ca 0.19 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 1pk1 h SER 23 Cb 0.30 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1pk1 h SER 23 CO -0.00 0.65 -0.24 0.78 -0.87 0.00 0.00 176.83 177.15 1pk1 h ASN 24 N 0.73 0.94 -0.35 4.97 2.35 -0.89 0.12 115.58 123.46 1pk1 h ASN 24 Ca 0.17 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1pk1 h ASN 24 Cb 0.22 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1pk1 h ASN 24 CO -0.01 1.13 0.15 0.15 -1.65 0.00 0.00 177.43 177.21 1pk1 h PHE 25 N 0.79 0.52 -0.30 1.19 3.57 -0.55 -2.32 116.94 119.84 1pk1 h PHE 25 Ca 0.10 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1pk1 h PHE 25 Cb 0.80 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1pk1 h PHE 25 CO 0.05 0.47 -0.28 0.82 -2.23 0.00 0.00 178.31 177.14 1pk1 h ILE 26 N 0.42 1.30 -0.93 1.41 1.08 -0.90 -3.19 117.51 116.70 1pk1 h ILE 26 Ca 0.12 -1.44 0.04 0.00 -0.39 0.00 0.00 64.86 63.19 1pk1 h ILE 26 Cb 0.16 1.55 -0.06 0.00 -3.07 0.00 0.00 36.82 35.40 1pk1 h ILE 26 CO -0.01 0.46 0.60 -0.09 -0.69 0.00 0.00 178.15 178.42 1pk1 h ARG 27 N 0.47 1.10 0.00 2.37 9.65 -0.70 -2.21 114.38 125.06 1pk1 h ARG 27 Ca 0.05 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1pk1 h ARG 27 Cb 0.85 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1pk1 h ARG 27 CO 0.07 0.73 -0.15 1.49 2.80 0.00 0.00 179.97 184.91 1pk1 h GLU 28 N 1.14 0.00 -6.98 0.20 4.81 -1.40 -3.44 114.58 108.91 1pk1 h GLU 28 Ca 0.38 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 59.11 1pk1 h GLU 28 Cb 0.06 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.49 1pk1 h GLU 28 CO -0.14 0.15 0.47 -0.51 -0.73 0.00 0.00 179.01 178.26 1pk1 s LEU 29 N -7.78 4.08 0.32 1.64 1.43 -0.83 -4.98 118.68 112.57 1pk1 s LEU 29 Ca -0.03 2.26 -0.28 0.00 -1.03 0.00 0.00 54.13 55.04 1pk1 s LEU 29 Cb 0.14 -4.17 -0.09 0.00 0.03 0.00 0.00 46.19 42.09 1pk1 s LEU 29 CO 0.63 -0.76 1.16 -2.16 0.23 0.00 0.00 176.35 175.45 1pk1 s PRO 30 N -2.56 4.42 0.00 1.29 0.04 -1.26 -3.51 135.00 133.42 1pk1 s PRO 30 Ca 0.61 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1pk1 s PRO 30 Cb -0.28 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1pk1 s PRO 30 CO 0.34 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.77 1pk1 n GLY 31 N 0.93 0.53 1.40 0.56 0.00 -1.26 -4.91 105.19 102.43 1pk1 n GLY 31 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1pk1 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pk1 h GLN 33 N 4.10 0.51 -0.40 0.00 -0.00 -1.88 -0.53 115.11 116.91 1pk1 h GLN 33 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1pk1 h GLN 33 Cb 1.15 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 28.51 1pk1 h GLN 33 CO 0.08 0.34 0.00 -0.25 -0.00 0.00 0.00 178.83 179.00 1pk1 n ASP 34 N -4.51 2.50 -0.00 0.06 8.00 -1.26 -4.13 116.55 117.20 1pk1 n ASP 34 Ca 0.16 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1pk1 n ASP 34 Cb 0.52 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1pk1 n ASP 34 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1pk1 n TYR 35 N 0.86 0.00 -0.25 1.24 4.02 -0.30 -4.73 117.16 118.00 1pk1 n TYR 35 Ca 0.17 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.09 1pk1 n TYR 35 Cb 0.42 -0.07 0.17 0.00 -0.02 0.00 0.00 39.34 39.84 1pk1 n TYR 35 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 1pk1 h VAL 36 N 0.00 0.72 -0.44 -0.72 3.04 -1.48 -0.45 116.25 116.91 1pk1 h VAL 36 Ca -0.02 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 1pk1 h VAL 36 Cb 0.41 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 1pk1 h VAL 36 CO 0.00 0.09 0.25 0.44 -1.01 0.00 0.00 177.57 177.34 1pk1 h ASP 37 N 0.49 0.53 -0.03 3.17 5.19 -1.85 -2.01 116.42 121.91 1pk1 h ASP 37 Ca 0.39 -0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.64 1pk1 h ASP 37 Cb 0.54 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1pk1 h ASP 37 CO -0.36 0.43 -0.38 0.44 -3.12 0.00 0.00 179.24 176.25 1pk1 h ASP 38 N 0.61 0.56 -0.52 6.45 3.32 -1.40 0.10 116.42 125.55 1pk1 h ASP 38 Ca 0.16 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1pk1 h ASP 38 Cb 0.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1pk1 h ASP 38 CO -0.03 0.88 0.14 -0.26 -1.72 0.00 0.00 179.24 178.26 1pk1 h PHE 39 N 0.44 0.85 -0.07 4.55 -1.00 -0.78 -0.08 116.94 120.87 1pk1 h PHE 39 Ca 0.04 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1pk1 h PHE 39 Cb 0.86 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.18 1pk1 h PHE 39 CO 0.03 0.75 0.01 0.82 -1.61 0.00 0.00 178.31 178.31 1pk1 h ILE 40 N 0.72 1.22 -0.31 -0.55 2.04 -1.17 -1.60 117.51 117.85 1pk1 h ILE 40 Ca 0.16 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1pk1 h ILE 40 Cb 0.31 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1pk1 h ILE 40 CO -0.00 0.19 -0.08 1.56 0.00 0.00 0.00 178.15 179.81 1pk1 h GLN 41 N -0.14 0.50 -0.08 2.37 4.20 -0.71 -1.91 115.11 119.35 1pk1 h GLN 41 Ca 0.02 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1pk1 h GLN 41 Cb 0.29 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1pk1 h GLN 41 CO 0.00 0.59 0.00 1.04 -0.67 0.00 0.00 178.83 179.79 1pk1 n GLN 42 N -4.23 1.26 -3.82 1.46 1.13 -0.05 -4.91 117.38 108.22 1pk1 n GLN 42 Ca 0.01 -0.40 -0.25 0.00 -1.94 0.00 0.00 57.00 54.42 1pk1 n GLN 42 Cb 0.29 -1.23 0.02 0.00 0.11 0.00 0.00 30.24 29.43 1pk1 n GLN 42 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1pk1 n GLU 43 N -0.30 -4.88 -2.63 -1.09 1.02 -0.72 -4.91 120.64 107.14 1pk1 n GLU 43 Ca 0.10 0.58 -0.42 0.00 -0.02 0.00 0.00 57.16 57.41 1pk1 n GLU 43 Cb 0.13 -5.20 -0.03 0.00 -0.02 0.00 0.00 31.44 26.32 1pk1 n GLU 43 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pk1 s ILE 44 N -3.58 3.92 0.37 -3.67 -1.09 -0.63 -4.93 121.20 111.59 1pk1 s ILE 44 Ca 0.24 0.37 0.04 0.00 -2.23 0.00 0.00 60.65 59.07 1pk1 s ILE 44 Cb -0.12 -4.82 0.06 0.00 -1.58 0.00 0.00 42.46 36.00 1pk1 s ILE 44 CO 0.83 -1.65 0.50 -0.90 -1.23 0.00 0.00 174.94 172.50 1pk1 n ASP 45 N 8.80 1.16 -0.20 3.58 5.75 -1.26 -4.44 116.55 129.94 1pk1 n ASP 45 Ca 0.03 -1.87 0.01 0.00 -0.01 0.00 0.00 54.79 52.95 1pk1 n ASP 45 Cb 0.48 -0.28 0.11 0.00 -1.03 0.00 0.00 41.12 40.40 1pk1 n ASP 45 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1pk1 h GLY 46 N -0.03 0.79 0.78 6.12 0.00 -1.15 0.24 103.07 109.82 1pk1 h GLY 46 Ca -0.17 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.15 1pk1 h GLY 46 CO 0.23 -0.11 0.07 -1.61 0.00 0.00 0.00 176.54 175.12 1pk1 h GLN 47 N 0.27 0.17 -0.61 4.80 4.15 -1.74 -1.80 115.11 120.37 1pk1 h GLN 47 Ca 0.32 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.63 1pk1 h GLN 47 Cb 0.47 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1pk1 h GLN 47 CO -0.40 0.11 0.01 0.00 -1.93 0.00 0.00 178.83 176.63 1pk1 h ALA 48 N 1.16 0.87 -0.96 3.38 0.00 -1.73 -2.86 119.26 119.12 1pk1 h ALA 48 Ca 0.11 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1pk1 h ALA 48 Cb 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1pk1 h ALA 48 CO -0.12 0.67 0.61 1.25 0.00 0.00 0.00 179.25 181.65 1pk1 h LEU 49 N 0.97 0.97 -1.64 0.00 5.85 -0.14 -0.63 115.31 120.68 1pk1 h LEU 49 Ca 0.17 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1pk1 h LEU 49 Cb 0.54 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1pk1 h LEU 49 CO 0.03 0.61 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.55 1pk1 h LEU 50 N 1.10 0.00 0.00 2.25 3.38 -1.11 -2.87 115.31 118.06 1pk1 h LEU 50 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1pk1 h LEU 50 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1pk1 h LEU 50 CO -0.18 0.12 -0.94 0.18 0.09 0.00 0.00 178.44 177.72 1pk1 n LEU 51 N -3.40 0.63 -4.75 1.67 4.77 -0.36 -4.95 117.00 110.62 1pk1 n LEU 51 Ca -0.01 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1pk1 n LEU 51 Cb 0.30 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1pk1 n LEU 51 CO 0.30 0.07 1.24 -0.22 -1.33 0.00 0.00 177.39 177.45 1pk1 s LEU 52 N -3.71 4.35 0.33 2.23 2.96 -0.52 -5.02 118.68 119.30 1pk1 s LEU 52 Ca 0.05 2.89 0.10 0.00 -0.22 0.00 0.00 54.13 56.95 1pk1 s LEU 52 Cb 0.15 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 43.15 1pk1 s LEU 52 CO 0.79 -0.88 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.30 1pk1 s LYS 53 N -0.27 1.83 0.30 1.98 -0.14 -1.26 -4.95 119.74 117.24 1pk1 s LYS 53 Ca 0.64 -1.87 0.05 0.00 -1.36 0.00 0.00 55.97 53.42 1pk1 s LYS 53 Cb -0.47 -1.75 0.68 0.00 -1.68 0.00 0.00 37.83 34.61 1pk1 s LYS 53 CO 0.45 0.18 1.81 1.05 -0.76 0.00 0.00 175.35 178.09 1pk1 h GLU 54 N 2.04 0.82 -0.91 1.68 4.11 -1.96 -0.95 114.58 119.42 1pk1 h GLU 54 Ca -0.42 -0.05 0.08 0.00 0.07 0.00 0.00 59.36 59.04 1pk1 h GLU 54 Cb 1.25 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 1pk1 h GLU 54 CO 0.68 0.54 0.59 -0.22 0.07 0.00 0.00 179.01 180.67 1pk1 h LYS 55 N 0.84 0.94 -0.36 1.06 3.64 -1.96 -1.49 116.57 119.24 1pk1 h LYS 55 Ca 0.53 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.69 1pk1 h LYS 55 Cb 0.72 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1pk1 h LYS 55 CO -0.31 0.62 -0.40 0.45 -2.27 0.00 0.00 179.45 177.55 1pk1 h HIS 56 N 0.97 1.09 -0.35 1.91 3.86 -1.58 -1.81 115.15 119.25 1pk1 h HIS 56 Ca 0.41 -0.34 -0.13 0.00 -1.16 0.00 0.00 60.37 59.15 1pk1 h HIS 56 Cb 0.30 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1pk1 h HIS 56 CO -0.00 1.16 -0.31 -0.07 0.86 0.00 0.00 177.93 179.57 1pk1 h LEU 57 N 0.71 0.78 0.08 2.43 3.38 -1.27 0.10 115.31 121.51 1pk1 h LEU 57 Ca 0.05 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1pk1 h LEU 57 Cb 0.99 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1pk1 h LEU 57 CO 0.10 1.03 -0.04 0.58 0.09 0.00 0.00 178.44 180.20 1pk1 h VAL 58 N 0.64 1.20 0.04 1.22 2.07 -1.29 -2.96 116.25 117.17 1pk1 h VAL 58 Ca 0.07 -1.22 -0.22 0.00 0.82 0.00 0.00 66.70 66.16 1pk1 h VAL 58 Cb 0.83 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1pk1 h VAL 58 CO 0.07 0.29 -1.03 0.78 0.02 0.00 0.00 177.57 177.70 1pk1 h ASN 59 N -0.68 0.16 -0.43 0.57 2.35 -1.38 -1.71 115.58 114.47 1pk1 h ASN 59 Ca -0.01 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1pk1 h ASN 59 Cb 0.55 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1pk1 h ASN 59 CO 0.02 1.08 0.00 0.00 -1.65 0.00 0.00 177.43 176.88 1pk1 n ALA 60 N -2.42 2.88 -3.04 -0.83 0.00 0.02 -5.08 120.51 112.04 1pk1 n ALA 60 Ca -0.03 -1.03 0.04 0.00 0.00 0.00 0.00 53.44 52.42 1pk1 n ALA 60 Cb 0.92 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1pk1 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pk1 s GLY 62 N -0.76 -1.18 0.10 0.00 0.00 -0.65 -5.04 107.32 99.79 1pk1 s GLY 62 Ca 0.34 1.59 0.08 0.00 0.00 0.00 0.00 44.72 46.73 1pk1 s GLY 62 CO 0.16 4.08 -0.16 0.54 0.00 0.00 0.00 173.10 177.73 1pk1 s LYS 64 N 2.56 1.90 0.17 2.90 -0.14 -1.26 -4.98 119.74 120.89 1pk1 s LYS 64 Ca 0.21 -1.12 -0.14 0.00 -1.36 0.00 0.00 55.97 53.56 1pk1 s LYS 64 Cb -0.01 -2.17 0.14 0.00 -1.68 0.00 0.00 37.83 34.10 1pk1 s LYS 64 CO -0.20 0.49 1.72 1.25 -0.76 0.00 0.00 175.35 177.85 1pk1 h LEU 65 N 3.80 -0.03 0.20 3.17 5.85 -1.97 -1.10 115.31 125.23 1pk1 h LEU 65 Ca -0.49 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1pk1 h LEU 65 Cb 1.17 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 1pk1 h LEU 65 CO 0.48 0.02 -0.44 1.23 -0.34 0.00 0.00 178.44 179.38 1pk1 h GLY 66 N 0.20 -0.95 1.48 3.75 0.00 -2.00 -0.86 103.07 104.67 1pk1 h GLY 66 Ca 0.21 0.53 -0.00 0.00 0.00 0.00 0.00 47.33 48.07 1pk1 h GLY 66 CO -0.30 -0.29 0.32 -2.55 0.00 0.00 0.00 176.54 173.72 1pk1 h PRO 67 N -0.73 0.70 -0.79 4.80 0.11 -1.97 -1.99 132.00 132.13 1pk1 h PRO 67 Ca 0.00 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.09 1pk1 h PRO 67 Cb 0.72 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.63 1pk1 h PRO 67 CO -0.21 0.49 0.50 0.00 -0.21 0.00 0.00 178.00 178.58 1pk1 h ALA 68 N 1.64 1.04 -0.31 -0.75 0.00 -0.52 -0.57 119.26 119.78 1pk1 h ALA 68 Ca 0.19 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1pk1 h ALA 68 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1pk1 h ALA 68 CO -0.04 0.32 -0.14 0.00 0.00 0.00 0.00 179.25 179.39 1pk1 h ARG 69 N 0.98 0.55 -0.63 0.00 3.08 -0.48 -1.92 114.38 115.96 1pk1 h ARG 69 Ca 0.31 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1pk1 h ARG 69 Cb 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1pk1 h ARG 69 CO -0.11 0.68 0.11 0.87 -1.07 0.00 0.00 179.97 180.44 1pk1 h LYS 70 N 0.50 1.04 -0.14 0.04 1.57 -0.62 0.70 116.57 119.67 1pk1 h LYS 70 Ca 0.09 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1pk1 h LYS 70 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1pk1 h LYS 70 CO 0.03 0.96 0.02 0.82 -0.57 0.00 0.00 179.45 180.72 1pk1 h ILE 71 N 0.95 1.22 -0.77 1.86 1.08 -0.88 0.37 117.51 121.35 1pk1 h ILE 71 Ca 0.19 -0.71 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1pk1 h ILE 71 Cb 0.43 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.57 1pk1 h ILE 71 CO 0.01 0.21 0.46 0.58 -0.69 0.00 0.00 178.15 178.72 1pk1 h VAL 72 N 0.00 1.22 -0.63 1.67 2.07 -1.22 -1.48 116.25 117.88 1pk1 h VAL 72 Ca 0.04 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1pk1 h VAL 72 Cb 0.30 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1pk1 h VAL 72 CO 0.00 0.23 0.14 0.00 0.02 0.00 0.00 177.57 177.96 1pk1 h ALA 73 N 1.25 1.05 -0.62 1.67 0.00 -0.67 -1.69 119.26 120.24 1pk1 h ALA 73 Ca 0.28 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1pk1 h ALA 73 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1pk1 h ALA 73 CO -0.05 0.62 0.06 -0.22 0.00 0.00 0.00 179.25 179.66 1pk1 h LYS 74 N 0.95 1.05 -0.18 0.00 1.63 -0.40 0.48 116.57 120.10 1pk1 h LYS 74 Ca 0.20 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1pk1 h LYS 74 Cb 0.36 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1pk1 h LYS 74 CO 0.00 0.99 0.05 0.28 -3.45 0.00 0.00 179.45 177.32 1pk1 h VAL 75 N 0.97 1.19 -0.84 2.00 2.07 -1.01 -1.73 116.25 118.91 1pk1 h VAL 75 Ca 0.19 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1pk1 h VAL 75 Cb 0.48 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1pk1 h VAL 75 CO 0.02 0.19 0.54 -0.08 0.02 0.00 0.00 177.57 178.26 1pk1 h GLU 76 N 0.11 1.02 -0.82 1.57 4.57 -1.06 -2.37 114.58 117.61 1pk1 h GLU 76 Ca 0.06 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1pk1 h GLU 76 Cb 0.24 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1pk1 h GLU 76 CO -0.00 0.68 0.36 0.66 -1.18 0.00 0.00 179.01 179.53 1pk1 h SER 77 N 1.05 1.11 0.00 1.04 4.64 -0.67 -3.51 113.55 117.20 1pk1 h SER 77 Ca 0.33 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1pk1 h SER 77 Cb 0.00 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1pk1 h SER 77 CO -0.11 0.95 0.00 -0.38 -0.87 0.00 0.00 176.83 176.42