#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k39 s GLN 2 N 0.00 4.17 0.52 2.12 1.11 -1.26 0.99 119.66 127.31 2k39 s GLN 2 Ca 0.00 0.04 0.04 0.00 0.01 0.00 0.00 55.36 55.44 2k39 s GLN 2 Cb 0.00 -3.40 0.01 0.00 -1.01 0.00 0.00 33.01 28.61 2k39 s GLN 2 CO 0.00 0.31 0.21 0.96 0.01 0.00 0.00 175.29 176.78 2k39 s ILE 3 N 0.27 1.50 0.01 1.08 -4.36 -0.65 -0.17 121.20 118.88 2k39 s ILE 3 Ca 0.15 -1.73 0.05 0.00 -0.26 0.00 0.00 60.65 58.86 2k39 s ILE 3 Cb -0.13 -2.24 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 2k39 s ILE 3 CO 0.03 0.00 -0.17 -0.36 0.24 0.00 0.00 174.94 174.68 2k39 s PHE 4 N -2.80 1.50 -0.28 1.37 0.40 -0.82 -1.85 117.98 115.50 2k39 s PHE 4 Ca 0.22 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 2k39 s PHE 4 Cb 0.00 -0.94 0.07 0.00 0.51 0.00 0.00 43.02 42.66 2k39 s PHE 4 CO 0.13 0.00 -0.03 0.08 0.70 0.00 0.00 175.22 176.10 2k39 s VAL 5 N -0.53 1.96 0.56 -0.44 1.01 -0.27 -1.02 120.40 121.67 2k39 s VAL 5 Ca 0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 61.98 60.28 2k39 s VAL 5 Cb -0.07 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.09 2k39 s VAL 5 CO 0.00 -0.26 0.83 -0.54 0.00 0.00 0.00 175.10 175.13 2k39 s LYS 6 N 1.15 2.77 0.08 2.72 1.02 0.17 -1.19 119.74 126.45 2k39 s LYS 6 Ca -0.01 -0.33 0.07 0.00 0.02 0.00 0.00 55.97 55.72 2k39 s LYS 6 Cb -0.19 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 2k39 s LYS 6 CO -0.08 -0.67 -0.18 0.95 -0.92 0.00 0.00 175.35 174.45 2k39 s THR 7 N -2.87 1.44 -2.00 2.17 -4.23 -0.95 -1.89 115.64 107.31 2k39 s THR 7 Ca 0.54 -1.39 0.24 0.00 -1.18 0.00 0.00 61.69 59.90 2k39 s THR 7 Cb -0.10 -1.33 0.69 0.00 1.34 0.00 0.00 72.50 73.10 2k39 s THR 7 CO 0.42 -0.10 1.88 0.18 -0.54 0.00 0.00 174.62 176.46 2k39 n LEU 8 N 1.27 0.00 -0.02 4.79 4.77 -1.26 -2.69 117.00 123.86 2k39 n LEU 8 Ca -0.20 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.85 2k39 n LEU 8 Cb 0.54 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2k39 n LEU 8 CO 0.22 0.00 -0.77 0.35 -1.33 0.00 0.00 177.39 175.86 2k39 n THR 9 N -0.92 0.16 0.00 -5.08 -2.24 -1.26 -4.86 114.28 100.08 2k39 n THR 9 Ca 0.18 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2k39 n THR 9 Cb 0.08 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2k39 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k39 n GLY 10 N 1.50 1.51 3.72 3.38 0.00 -1.10 -5.10 105.19 109.11 2k39 n GLY 10 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2k39 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 11 N -0.15 4.42 -0.13 1.61 2.20 -1.26 -4.89 119.74 121.53 2k39 s LYS 11 Ca 0.00 1.89 -0.03 0.00 -0.36 0.00 0.00 55.97 57.47 2k39 s LYS 11 Cb 0.00 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2k39 s LYS 11 CO 0.00 -0.26 -0.02 0.99 -0.36 0.00 0.00 175.35 175.70 2k39 s THR 12 N 0.71 4.05 0.02 3.43 2.01 -1.26 -2.25 115.64 122.36 2k39 s THR 12 Ca 0.58 -0.32 0.06 0.00 0.31 0.00 0.00 61.69 62.33 2k39 s THR 12 Cb -0.33 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 2k39 s THR 12 CO 0.32 0.53 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.98 2k39 s ILE 13 N -0.03 2.93 -0.16 1.82 1.01 -0.34 -5.00 121.20 121.43 2k39 s ILE 13 Ca 0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 2k39 s ILE 13 Cb -0.13 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2k39 s ILE 13 CO 0.02 0.39 -0.01 -0.89 0.00 0.00 0.00 174.94 174.46 2k39 s THR 14 N -0.89 4.19 -0.02 2.92 2.01 -1.26 -1.11 115.64 121.48 2k39 s THR 14 Ca 0.14 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.92 2k39 s THR 14 Cb -0.11 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 2k39 s THR 14 CO 0.05 0.49 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.13 2k39 s LEU 15 N 0.28 1.95 -0.30 4.42 2.96 -0.77 -4.98 118.68 122.23 2k39 s LEU 15 Ca -0.01 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 2k39 s LEU 15 Cb -0.13 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2k39 s LEU 15 CO 0.02 0.13 0.20 -1.61 -1.32 0.00 0.00 176.35 173.77 2k39 s GLU 16 N -0.12 3.76 0.28 1.98 2.02 -1.26 -1.63 118.70 123.72 2k39 s GLU 16 Ca 0.02 -0.46 0.11 0.00 0.02 0.00 0.00 54.97 54.66 2k39 s GLU 16 Cb -0.06 -3.70 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 2k39 s GLU 16 CO 0.00 -0.28 -0.17 0.14 0.02 0.00 0.00 175.26 174.96 2k39 s VAL 17 N 1.74 2.33 -0.03 2.63 -7.23 0.28 -4.83 120.40 115.28 2k39 s VAL 17 Ca 0.07 -2.35 -0.10 0.00 -1.81 0.00 0.00 61.98 57.79 2k39 s VAL 17 Cb -0.17 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2k39 s VAL 17 CO 0.11 -0.39 0.28 -0.70 -0.31 0.00 0.00 175.10 174.09 2k39 s GLU 18 N -3.55 3.67 0.22 4.82 2.56 -1.26 0.29 118.70 125.45 2k39 s GLU 18 Ca 0.30 0.10 -0.14 0.00 0.00 0.00 0.00 54.97 55.23 2k39 s GLU 18 Cb -0.03 -3.16 0.27 0.00 2.00 0.00 0.00 34.13 33.21 2k39 s GLU 18 CO 0.14 0.70 1.60 -1.35 -0.56 0.00 0.00 175.26 175.80 2k39 h PRO 19 N 4.58 -0.03 0.00 4.30 0.11 -1.97 0.83 132.00 139.82 2k39 h PRO 19 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2k39 h PRO 19 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k39 h PRO 19 CO 0.62 -0.02 0.00 0.77 -0.21 0.00 0.00 178.00 179.16 2k39 h SER 20 N -0.03 0.00 -2.93 -2.05 0.02 -1.98 -3.20 113.55 103.38 2k39 h SER 20 Ca 0.34 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.75 2k39 h SER 20 Cb 0.55 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.11 2k39 h SER 20 CO -0.76 0.00 0.79 -1.81 -1.14 0.00 0.00 176.83 173.91 2k39 s ASP 21 N -4.18 6.80 0.29 3.07 1.01 0.28 -4.84 116.67 119.11 2k39 s ASP 21 Ca -0.03 2.29 -0.29 0.00 0.71 0.00 0.00 52.55 55.23 2k39 s ASP 21 Cb 0.07 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.33 2k39 s ASP 21 CO 0.23 -0.70 1.29 0.42 0.21 0.00 0.00 175.17 176.61 2k39 s THR 22 N 1.68 2.91 0.64 -1.27 -4.23 -1.26 -0.97 115.64 113.15 2k39 s THR 22 Ca 0.66 0.87 0.30 0.00 -1.18 0.00 0.00 61.69 62.33 2k39 s THR 22 Cb -0.36 -3.55 0.30 0.00 1.34 0.00 0.00 72.50 70.23 2k39 s THR 22 CO 0.29 0.19 1.91 0.40 -0.54 0.00 0.00 174.62 176.87 2k39 h ILE 23 N 3.22 0.00 -0.56 2.99 1.08 -1.17 0.38 117.51 123.45 2k39 h ILE 23 Ca -0.48 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 2k39 h ILE 23 Cb 1.22 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 2k39 h ILE 23 CO 0.69 0.00 0.27 -0.08 -0.69 0.00 0.00 178.15 178.34 2k39 h GLU 24 N 0.00 0.79 0.00 2.37 4.81 -1.66 -2.89 114.58 118.00 2k39 h GLU 24 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2k39 h GLU 24 Cb 0.65 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2k39 h GLU 24 CO 0.00 0.61 0.00 -1.71 -0.73 0.00 0.00 179.01 177.18 2k39 n ASN 25 N -4.37 0.02 -0.03 1.04 5.15 0.13 -1.16 115.26 116.05 2k39 n ASN 25 Ca 0.05 0.50 -0.07 0.00 -0.60 0.00 0.00 54.58 54.47 2k39 n ASN 25 Cb 0.12 -0.51 -0.13 0.00 -0.53 0.00 0.00 39.78 38.73 2k39 n ASN 25 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2k39 n VAL 26 N -1.52 1.42 0.16 3.44 0.31 -1.15 -2.82 118.33 118.17 2k39 n VAL 26 Ca 0.06 -0.78 0.11 0.00 -0.01 0.00 0.00 64.34 63.72 2k39 n VAL 26 Cb 0.32 -0.80 0.09 0.00 -0.91 0.00 0.00 33.84 32.53 2k39 n VAL 26 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2k39 h LYS 27 N 0.00 0.00 0.00 5.55 1.57 -1.16 0.91 116.57 123.44 2k39 h LYS 27 Ca -0.32 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 2k39 h LYS 27 Cb 1.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.25 2k39 h LYS 27 CO 0.06 0.02 -0.47 0.00 -0.57 0.00 0.00 179.45 178.49 2k39 h ALA 28 N 1.97 0.86 0.00 3.86 0.00 -1.27 -0.31 119.26 124.37 2k39 h ALA 28 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k39 h ALA 28 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k39 h ALA 28 CO 0.00 0.59 0.00 0.87 0.00 0.00 0.00 179.25 180.71 2k39 h LYS 29 N 0.00 0.00 0.12 0.00 1.57 -1.02 -3.02 116.57 114.22 2k39 h LYS 29 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2k39 h LYS 29 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2k39 h LYS 29 CO 0.06 0.00 -1.23 0.82 -0.57 0.00 0.00 179.45 178.53 2k39 h ILE 30 N 0.00 1.51 -0.97 1.86 2.04 -0.76 -3.24 117.51 117.95 2k39 h ILE 30 Ca 0.00 -3.09 0.23 0.00 1.00 0.00 0.00 64.86 63.00 2k39 h ILE 30 Cb 0.78 2.93 -0.08 0.00 -0.74 0.00 0.00 36.82 39.71 2k39 h ILE 30 CO 0.00 0.90 0.64 -0.61 0.00 0.00 0.00 178.15 179.07 2k39 h GLN 31 N 0.07 0.41 -0.01 2.37 4.15 -0.93 0.34 115.11 121.51 2k39 h GLN 31 Ca -0.13 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2k39 h GLN 31 Cb 1.96 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.55 2k39 h GLN 31 CO 0.20 0.27 -0.32 -3.47 -1.93 0.00 0.00 178.83 173.58 2k39 n ASP 32 N -4.57 1.13 0.00 -0.69 2.03 -1.16 -2.83 116.55 110.46 2k39 n ASP 32 Ca 0.22 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.59 2k39 n ASP 32 Cb 0.77 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 2k39 n ASP 32 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k39 n LYS 33 N -0.63 1.24 0.00 -0.67 4.76 -0.86 -4.88 118.16 117.11 2k39 n LYS 33 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2k39 n LYS 33 Cb 0.36 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 2k39 n LYS 33 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2k39 n GLU 34 N -2.21 2.45 0.00 1.97 4.07 0.11 -5.05 120.64 121.98 2k39 n GLU 34 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2k39 n GLU 34 Cb 0.45 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.97 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N 2.12 1.29 3.68 8.31 0.00 -1.08 -5.01 105.19 114.50 2k39 n GLY 35 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k39 s ILE 36 N -2.00 4.99 0.36 -0.61 1.01 -1.26 -4.88 121.20 118.81 2k39 s ILE 36 Ca 0.00 1.41 -0.26 0.00 0.00 0.00 0.00 60.65 61.81 2k39 s ILE 36 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 2k39 s ILE 36 CO 0.00 0.14 1.03 -2.16 0.00 0.00 0.00 174.94 173.94 2k39 s PRO 37 N 1.57 4.37 0.00 2.79 0.04 -1.26 -2.93 135.00 139.58 2k39 s PRO 37 Ca 0.35 1.51 0.14 0.00 0.04 0.00 0.00 61.00 63.03 2k39 s PRO 37 Cb -0.17 -2.73 0.60 0.00 0.04 0.00 0.00 34.50 32.24 2k39 s PRO 37 CO 0.14 0.04 1.44 -0.35 0.04 0.00 0.00 177.00 178.31 2k39 n PRO 38 N 0.33 0.01 0.21 0.56 -0.04 -1.26 -2.84 135.00 131.97 2k39 n PRO 38 Ca 0.03 0.25 0.15 0.00 -0.04 0.00 0.00 63.50 63.89 2k39 n PRO 38 Cb 0.49 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.09 2k39 n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k39 h ASP 39 N 0.00 0.00 -0.01 3.54 3.58 -1.97 -3.39 116.42 118.17 2k39 h ASP 39 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k39 h ASP 39 Cb 0.23 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 2k39 h ASP 39 CO 0.00 0.00 -0.35 0.00 -2.88 0.00 0.00 179.24 176.01 2k39 n GLN 40 N -2.61 1.52 -4.19 0.28 10.64 -1.13 -5.01 117.38 116.87 2k39 n GLN 40 Ca 0.01 -3.10 -0.24 0.00 -1.83 0.00 0.00 57.00 51.83 2k39 n GLN 40 Cb 0.21 -1.59 -0.07 0.00 -0.86 0.00 0.00 30.24 27.93 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2k39 s GLN 41 N -3.14 2.24 0.10 2.61 1.11 -1.26 -1.68 119.66 119.64 2k39 s GLN 41 Ca 0.36 -1.66 0.07 0.00 0.01 0.00 0.00 55.36 54.14 2k39 s GLN 41 Cb 0.35 -2.06 -0.03 0.00 -1.01 0.00 0.00 33.01 30.25 2k39 s GLN 41 CO -0.04 0.09 -0.18 1.03 0.01 0.00 0.00 175.29 176.20 2k39 s ARG 42 N -3.81 1.03 -0.31 2.91 0.52 -0.80 -4.72 118.95 113.78 2k39 s ARG 42 Ca 0.37 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 2k39 s ARG 42 Cb -0.01 -1.17 0.08 0.00 0.52 0.00 0.00 34.95 34.37 2k39 s ARG 42 CO 0.21 0.26 -0.01 -0.51 0.02 0.00 0.00 175.30 175.28 2k39 s LEU 43 N -1.96 4.14 0.00 2.53 2.01 -1.26 -1.48 118.68 122.66 2k39 s LEU 43 Ca 0.05 -1.71 -0.21 0.00 0.01 0.00 0.00 54.13 52.27 2k39 s LEU 43 Cb -0.09 -1.63 -0.05 0.00 0.01 0.00 0.00 46.19 44.43 2k39 s LEU 43 CO 0.04 -0.30 0.63 -0.63 1.01 0.00 0.00 176.35 177.10 2k39 s ILE 44 N 1.05 4.87 -0.11 -0.59 1.01 0.21 -0.47 121.20 127.18 2k39 s ILE 44 Ca 0.00 1.33 -0.04 0.00 0.00 0.00 0.00 60.65 61.94 2k39 s ILE 44 Cb -0.20 -3.97 0.05 0.00 0.01 0.00 0.00 42.46 38.35 2k39 s ILE 44 CO -0.05 0.40 0.10 0.12 0.00 0.00 0.00 174.94 175.50 2k39 s PHE 45 N -0.14 0.06 -1.48 3.97 5.36 0.17 -1.46 117.98 124.47 2k39 s PHE 45 Ca 0.33 0.06 -0.17 0.00 -0.96 0.00 0.00 56.93 56.19 2k39 s PHE 45 Cb -0.19 -0.53 0.15 0.00 -0.34 0.00 0.00 43.02 42.11 2k39 s PHE 45 CO 0.18 -0.36 0.56 0.00 -1.46 0.00 0.00 175.22 174.14 2k39 n ALA 46 N 5.30 -1.16 0.00 11.12 0.00 -1.26 -2.33 120.51 132.18 2k39 n ALA 46 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k39 n ALA 46 Cb 0.50 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.36 2k39 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k39 n GLY 47 N -1.10 2.34 3.90 0.00 0.00 -1.26 -5.08 105.19 104.00 2k39 n GLY 47 Ca 0.07 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 2k39 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 48 N 0.00 2.83 -0.20 1.61 1.02 -0.98 -5.05 119.74 118.97 2k39 s LYS 48 Ca 0.00 0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.15 2k39 s LYS 48 Cb 0.00 -2.16 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 2k39 s LYS 48 CO 0.00 -0.89 -0.13 -0.65 -0.92 0.00 0.00 175.35 172.77 2k39 s GLN 49 N -5.17 3.14 -0.13 1.68 -0.21 -1.26 -0.65 119.66 117.05 2k39 s GLN 49 Ca 0.56 -0.76 -0.29 0.00 0.02 0.00 0.00 55.36 54.90 2k39 s GLN 49 Cb -0.11 -2.77 -0.01 0.00 1.00 0.00 0.00 33.01 31.12 2k39 s GLN 49 CO 0.48 -0.22 0.99 -0.51 -2.12 0.00 0.00 175.29 173.91 2k39 s LEU 50 N 1.37 4.21 0.03 2.90 1.43 0.39 -4.96 118.68 124.05 2k39 s LEU 50 Ca 0.05 1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 54.31 2k39 s LEU 50 Cb -0.14 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2k39 s LEU 50 CO -0.09 -0.47 1.01 -1.61 0.23 0.00 0.00 176.35 175.41 2k39 s GLU 51 N 2.21 4.57 0.38 1.70 0.41 -1.26 -4.67 118.70 122.03 2k39 s GLU 51 Ca 0.46 1.47 0.15 0.00 -0.41 0.00 0.00 54.97 56.65 2k39 s GLU 51 Cb -0.18 -3.43 1.01 0.00 -1.78 0.00 0.00 34.13 29.76 2k39 s GLU 51 CO 0.15 -0.03 1.78 -0.44 -0.49 0.00 0.00 175.26 176.24 2k39 h ASP 52 N 6.57 0.52 -0.29 -0.19 5.19 -1.93 -3.03 116.42 123.26 2k39 h ASP 52 Ca -0.41 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2k39 h ASP 52 Cb 1.22 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2k39 h ASP 52 CO 0.75 0.14 0.00 0.61 -3.12 0.00 0.00 179.24 177.62 2k39 n GLY 53 N -1.44 1.49 3.84 2.75 0.00 -1.26 -1.68 105.19 108.90 2k39 n GLY 53 Ca 0.24 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2k39 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k39 s ARG 54 N -1.24 4.01 0.02 1.61 1.81 -1.15 -4.87 118.95 119.15 2k39 s ARG 54 Ca 0.29 0.56 -0.23 0.00 -1.72 0.00 0.00 55.73 54.63 2k39 s ARG 54 Cb 0.17 -2.78 -0.05 0.00 -0.45 0.00 0.00 34.95 31.84 2k39 s ARG 54 CO 0.24 0.37 0.69 0.95 -0.68 0.00 0.00 175.30 176.87 2k39 s THR 55 N -1.64 4.81 0.00 0.02 -4.23 -1.26 -2.77 115.64 110.57 2k39 s THR 55 Ca 0.44 1.47 0.00 0.00 -1.18 0.00 0.00 61.69 62.41 2k39 s THR 55 Cb -0.14 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.66 2k39 s THR 55 CO 0.20 0.38 0.08 -0.11 -0.54 0.00 0.00 174.62 174.63 2k39 n LEU 56 N 2.79 0.00 -0.11 4.79 7.94 -0.14 -0.99 117.00 131.28 2k39 n LEU 56 Ca -0.04 0.08 -0.06 0.00 -1.11 0.00 0.00 56.01 54.88 2k39 n LEU 56 Cb 0.51 -0.02 0.13 0.00 0.53 0.00 0.00 43.42 44.56 2k39 n LEU 56 CO 0.46 -0.02 0.82 0.28 -1.11 0.00 0.00 177.39 177.81 2k39 h SER 57 N 0.00 0.78 1.85 1.96 0.02 -1.73 -2.89 113.55 113.54 2k39 h SER 57 Ca 0.00 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 2k39 h SER 57 Cb 0.00 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2k39 h SER 57 CO 0.00 0.89 -0.16 -0.78 -1.14 0.00 0.00 176.83 175.65 2k39 h ASP 58 N 0.73 0.00 0.34 3.07 1.82 -1.77 -2.77 116.42 117.84 2k39 h ASP 58 Ca 0.13 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 2k39 h ASP 58 Cb 0.55 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.56 2k39 h ASP 58 CO 0.03 0.13 -0.05 0.22 -1.61 0.00 0.00 179.24 177.96 2k39 h TYR 59 N 0.00 0.00 0.00 0.28 5.03 -0.91 -3.47 116.97 117.91 2k39 h TYR 59 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2k39 h TYR 59 Cb 1.10 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.38 2k39 h TYR 59 CO 0.00 0.05 0.00 -1.71 -1.32 0.00 0.00 178.16 175.18 2k39 n ASN 60 N -3.37 0.00 -4.12 -2.11 2.85 -1.04 -5.07 115.26 102.40 2k39 n ASN 60 Ca -0.02 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.01 2k39 n ASN 60 Cb 0.18 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.21 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2k39 n ILE 61 N -1.12 5.08 -2.46 -1.44 5.41 -1.10 -5.03 119.36 118.69 2k39 n ILE 61 Ca 0.00 -5.74 -0.23 0.00 1.00 0.00 0.00 62.75 57.78 2k39 n ILE 61 Cb 0.00 -2.25 0.05 0.00 -0.71 0.00 0.00 39.64 36.73 2k39 n ILE 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2k39 s GLN 62 N -2.25 2.41 -0.29 0.38 2.00 -1.26 -4.28 119.66 116.38 2k39 s GLN 62 Ca 0.31 -0.54 -0.26 0.00 -2.00 0.00 0.00 55.36 52.87 2k39 s GLN 62 Cb -0.00 -2.35 -0.11 0.00 0.80 0.00 0.00 33.01 31.35 2k39 s GLN 62 CO 0.04 -0.93 1.05 1.17 -0.50 0.00 0.00 175.29 176.13 2k39 n LYS 63 N -2.59 0.00 -2.03 1.67 0.00 -1.26 -2.45 118.16 111.50 2k39 n LYS 63 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.36 2k39 n LYS 63 Cb 0.60 -0.87 -0.00 0.00 0.00 0.00 0.00 35.03 34.76 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k39 n GLU 64 N 3.16 -0.21 -2.40 1.64 1.02 0.75 -5.01 120.64 119.59 2k39 n GLU 64 Ca 0.24 0.14 -0.35 0.00 -0.02 0.00 0.00 57.16 57.16 2k39 n GLU 64 Cb -0.03 -3.78 -0.02 0.00 -0.02 0.00 0.00 31.44 27.59 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k39 s SER 65 N -2.88 6.21 -0.40 1.62 0.01 -1.03 -4.69 113.70 112.54 2k39 s SER 65 Ca 0.00 2.10 -0.11 0.00 1.31 0.00 0.00 55.95 59.25 2k39 s SER 65 Cb 0.00 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.70 2k39 s SER 65 CO 0.00 -0.88 0.25 -0.89 0.41 0.00 0.00 173.24 172.14 2k39 s THR 66 N -1.77 4.53 0.30 1.44 2.01 -1.26 -1.95 115.64 118.93 2k39 s THR 66 Ca 0.66 -1.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 2k39 s THR 66 Cb -0.22 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 2k39 s THR 66 CO 0.26 -0.39 0.71 -0.76 -0.69 0.00 0.00 174.62 173.76 2k39 s LEU 67 N 1.52 4.11 -0.34 4.42 1.43 -0.19 -4.76 118.68 124.87 2k39 s LEU 67 Ca 0.02 1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 54.30 2k39 s LEU 67 Cb -0.21 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.08 2k39 s LEU 67 CO 0.05 -0.16 0.14 -1.00 0.23 0.00 0.00 176.35 175.61 2k39 s HIS 68 N -1.90 3.23 0.27 0.29 3.76 -0.54 -0.66 115.29 119.75 2k39 s HIS 68 Ca 0.52 -1.19 -0.29 0.00 -0.15 0.00 0.00 55.06 53.94 2k39 s HIS 68 Cb -0.11 -2.33 -0.09 0.00 1.11 0.00 0.00 32.58 31.16 2k39 s HIS 68 CO 0.18 -0.68 1.11 -1.17 -0.85 0.00 0.00 174.74 173.33 2k39 s LEU 69 N 1.47 4.54 0.05 0.89 0.20 -0.79 -0.62 118.68 124.42 2k39 s LEU 69 Ca 0.00 2.26 0.06 0.00 0.69 0.00 0.00 54.13 57.15 2k39 s LEU 69 Cb -0.19 -3.62 -0.02 0.00 -0.43 0.00 0.00 46.19 41.92 2k39 s LEU 69 CO 0.04 -0.17 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.07 2k39 s VAL 70 N -1.03 1.44 -0.24 1.68 1.01 -0.55 -4.03 120.40 118.67 2k39 s VAL 70 Ca 0.45 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2k39 s VAL 70 Cb -0.32 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2k39 s VAL 70 CO 0.41 0.08 0.26 -0.76 0.00 0.00 0.00 175.10 175.09 2k39 s LEU 71 N -1.27 4.10 -1.42 3.92 1.02 -1.11 -1.91 118.68 122.02 2k39 s LEU 71 Ca 0.05 0.23 -0.14 0.00 0.02 0.00 0.00 54.13 54.28 2k39 s LEU 71 Cb -0.09 -2.27 0.02 0.00 0.02 0.00 0.00 46.19 43.88 2k39 s LEU 71 CO 0.02 -0.03 2.24 -1.14 0.02 0.00 0.00 176.35 177.46 2k39 n ARG 72 N 4.63 2.79 0.00 1.70 0.63 -0.68 -4.25 116.66 121.48 2k39 n ARG 72 Ca -0.12 -2.52 0.00 0.00 -0.92 0.00 0.00 57.85 54.29 2k39 n ARG 72 Cb 0.52 -3.24 0.00 0.00 0.45 0.00 0.00 32.46 30.19 2k39 n ARG 72 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2k39 n LEU 73 N 6.07 0.00 -3.75 6.15 -0.00 -1.26 -4.80 117.00 119.40 2k39 n LEU 73 Ca 0.53 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.41 2k39 n LEU 73 Cb 0.38 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.69 2k39 n LEU 73 CO 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 178.30 2k39 s ARG 74 N 0.00 0.39 0.00 1.47 1.04 -1.26 -5.10 118.95 115.49 2k39 s ARG 74 Ca 0.00 0.48 0.00 0.00 -1.04 0.00 0.00 55.73 55.17 2k39 s ARG 74 Cb 0.00 0.17 0.00 0.00 -2.04 0.00 0.00 34.95 33.08 2k39 s ARG 74 CO 0.00 -0.05 0.00 0.41 -0.04 0.00 0.00 175.30 175.62 2k39 n GLY 75 N 3.00 2.25 0.00 3.88 0.00 -1.26 -4.84 105.19 108.21 2k39 n GLY 75 Ca -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93