#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 3.41 0.39 2.12 -0.21 -1.26 -0.62 119.66 123.49 2k39 s GLN 2 Ca 0.00 -0.49 0.04 0.00 0.02 0.00 0.00 55.36 54.93 2k39 s GLN 2 Cb 0.00 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2k39 s GLN 2 CO 0.00 0.40 0.08 0.96 -2.12 0.00 0.00 175.29 174.61 2k39 s ILE 3 N -0.07 0.96 0.22 1.08 -4.36 -0.81 0.39 121.20 118.61 2k39 s ILE 3 Ca 0.02 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.52 2k39 s ILE 3 Cb -0.13 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 2k39 s ILE 3 CO 0.02 0.00 -0.16 -0.36 0.24 0.00 0.00 174.94 174.69 2k39 s PHE 4 N -3.17 2.45 -0.06 1.37 0.40 -0.15 -1.09 117.98 117.72 2k39 s PHE 4 Ca 0.27 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 2k39 s PHE 4 Cb 0.05 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.44 2k39 s PHE 4 CO 0.13 0.58 -0.12 0.54 0.70 0.00 0.00 175.22 177.05 2k39 s VAL 5 N -1.98 1.14 -0.11 -0.44 0.11 -0.86 -1.35 120.40 116.91 2k39 s VAL 5 Ca 0.26 -0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 58.63 2k39 s VAL 5 Cb -0.07 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2k39 s VAL 5 CO 0.14 0.35 0.52 -0.54 -3.33 0.00 0.00 175.10 172.25 2k39 s LYS 6 N 0.66 4.36 -0.12 1.54 1.02 -0.36 -2.42 119.74 124.40 2k39 s LYS 6 Ca -0.15 0.54 -0.09 0.00 0.02 0.00 0.00 55.97 56.29 2k39 s LYS 6 Cb -0.16 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 2k39 s LYS 6 CO 0.04 0.14 0.19 0.95 -0.92 0.00 0.00 175.35 175.75 2k39 s THR 7 N 0.64 5.40 -2.00 2.17 -4.23 -0.70 -3.87 115.64 113.05 2k39 s THR 7 Ca 0.28 0.33 0.07 0.00 -1.18 0.00 0.00 61.69 61.19 2k39 s THR 7 Cb -0.16 -3.48 0.20 0.00 1.34 0.00 0.00 72.50 70.40 2k39 s THR 7 CO 0.12 0.55 0.87 0.18 -0.54 0.00 0.00 174.62 175.80 2k39 n LEU 8 N 2.45 0.00 0.07 4.79 4.77 -1.26 -1.48 117.00 126.33 2k39 n LEU 8 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2k39 n LEU 8 Cb 0.54 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 2k39 n LEU 8 CO 0.34 -0.00 -0.04 0.71 -1.33 0.00 0.00 177.39 177.07 2k39 h THR 9 N 0.00 0.69 0.00 -5.08 1.35 -2.00 -3.47 112.91 104.40 2k39 h THR 9 Ca 0.00 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 2k39 h THR 9 Cb 0.00 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2k39 h THR 9 CO 0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 2k39 n GLY 10 N 1.34 1.08 3.73 5.82 0.00 -0.55 -5.12 105.19 111.50 2k39 n GLY 10 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2k39 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 11 N -0.16 4.70 -0.04 1.61 1.02 -1.23 -4.97 119.74 120.67 2k39 s LYS 11 Ca 0.00 1.49 0.05 0.00 0.02 0.00 0.00 55.97 57.53 2k39 s LYS 11 Cb 0.00 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2k39 s LYS 11 CO 0.00 0.22 -0.21 0.95 -0.92 0.00 0.00 175.35 175.39 2k39 s THR 12 N -0.11 1.69 -0.24 2.17 -4.23 -1.26 -1.72 115.64 111.93 2k39 s THR 12 Ca 0.47 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 2k39 s THR 12 Cb -0.24 -1.44 0.04 0.00 1.34 0.00 0.00 72.50 72.21 2k39 s THR 12 CO 0.31 0.48 -0.11 -0.63 -0.54 0.00 0.00 174.62 174.12 2k39 s ILE 13 N -0.14 2.34 -0.09 2.99 1.01 -1.02 -5.03 121.20 121.27 2k39 s ILE 13 Ca -0.01 -1.36 -0.30 0.00 0.00 0.00 0.00 60.65 58.98 2k39 s ILE 13 Cb -0.12 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 2k39 s ILE 13 CO 0.02 0.12 1.63 -0.89 0.00 0.00 0.00 174.94 175.82 2k39 s THR 14 N 1.19 3.64 -0.15 2.92 2.01 -1.26 -2.02 115.64 121.97 2k39 s THR 14 Ca -0.04 0.77 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 2k39 s THR 14 Cb -0.18 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2k39 s THR 14 CO -0.06 -0.10 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.42 2k39 s LEU 15 N 4.23 2.65 -0.32 4.42 1.98 -0.25 -4.99 118.68 126.40 2k39 s LEU 15 Ca 0.72 -0.39 -0.10 0.00 -2.89 0.00 0.00 54.13 51.48 2k39 s LEU 15 Cb -0.31 -1.61 -0.00 0.00 0.66 0.00 0.00 46.19 44.92 2k39 s LEU 15 CO 0.28 0.11 0.15 -0.70 -1.89 0.00 0.00 176.35 174.31 2k39 s GLU 16 N 0.67 3.27 0.34 1.98 2.56 -1.26 -1.92 118.70 124.34 2k39 s GLU 16 Ca -0.07 -0.76 0.03 0.00 0.00 0.00 0.00 54.97 54.17 2k39 s GLU 16 Cb -0.15 -3.57 -0.01 0.00 2.00 0.00 0.00 34.13 32.39 2k39 s GLU 16 CO 0.02 -0.45 0.11 1.33 -0.56 0.00 0.00 175.26 175.72 2k39 n VAL 17 N 4.98 0.00 -4.17 3.70 0.24 0.20 -4.94 118.33 118.33 2k39 n VAL 17 Ca -0.14 -1.96 -0.11 0.00 -2.04 0.00 0.00 64.34 60.10 2k39 n VAL 17 Cb 0.49 0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 33.44 2k39 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2k39 s GLU 18 N -3.30 0.91 0.46 7.34 0.41 -1.26 -2.15 118.70 121.11 2k39 s GLU 18 Ca 0.16 -1.41 0.13 0.00 -0.41 0.00 0.00 54.97 53.43 2k39 s GLU 18 Cb 0.01 -0.02 0.68 0.00 -1.78 0.00 0.00 34.13 33.02 2k39 s GLU 18 CO 0.11 -0.14 1.29 -1.35 -0.49 0.00 0.00 175.26 174.68 2k39 h PRO 19 N 2.88 0.00 -0.00 0.39 0.11 -1.98 -1.31 132.00 132.08 2k39 h PRO 19 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2k39 h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k39 h PRO 19 CO 0.63 0.00 -0.35 0.43 -0.21 0.00 0.00 178.00 178.49 2k39 n SER 20 N -2.26 0.51 -4.67 -2.05 7.64 -1.26 -2.86 113.62 108.68 2k39 n SER 20 Ca -0.01 -0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.17 2k39 n SER 20 Cb 0.52 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k39 s ASP 21 N -2.87 6.52 0.20 6.43 1.01 -0.50 -4.87 116.67 122.59 2k39 s ASP 21 Ca 0.15 2.55 -0.30 0.00 0.71 0.00 0.00 52.55 55.66 2k39 s ASP 21 Cb 0.18 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 2k39 s ASP 21 CO 0.63 -1.00 1.04 0.42 0.21 0.00 0.00 175.17 176.47 2k39 s THR 22 N 3.93 3.95 0.51 -1.27 -4.23 -1.26 -2.95 115.64 114.31 2k39 s THR 22 Ca 0.82 1.79 0.23 0.00 -1.18 0.00 0.00 61.69 63.35 2k39 s THR 22 Cb -0.40 -4.14 0.38 0.00 1.34 0.00 0.00 72.50 69.68 2k39 s THR 22 CO 0.37 0.36 1.98 0.40 -0.54 0.00 0.00 174.62 177.19 2k39 h ILE 23 N 3.51 0.76 0.00 2.99 5.03 -1.67 0.20 117.51 128.32 2k39 h ILE 23 Ca -0.45 -0.03 -0.03 0.00 -0.12 0.00 0.00 64.86 64.23 2k39 h ILE 23 Cb 1.21 0.66 -0.00 0.00 -3.03 0.00 0.00 36.82 35.65 2k39 h ILE 23 CO 0.70 0.02 -0.15 1.05 -0.68 0.00 0.00 178.15 179.09 2k39 h GLU 24 N 0.09 0.00 0.02 2.37 -0.00 -1.85 -1.19 114.58 114.02 2k39 h GLU 24 Ca 0.27 0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.36 2k39 h GLU 24 Cb 0.95 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.66 2k39 h GLU 24 CO -0.03 0.15 -1.49 -0.97 -0.00 0.00 0.00 179.01 176.67 2k39 h ASN 25 N 0.00 0.06 -0.40 3.06 -1.24 -1.06 -2.91 115.58 113.09 2k39 h ASN 25 Ca -0.00 -0.09 -0.12 0.00 0.71 0.00 0.00 56.30 56.80 2k39 h ASN 25 Cb 0.70 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 2k39 h ASN 25 CO 0.02 1.08 -0.21 0.58 -1.29 0.00 0.00 177.43 177.61 2k39 h VAL 26 N 0.01 1.28 -0.87 2.57 2.07 -1.00 -2.73 116.25 117.58 2k39 h VAL 26 Ca -0.21 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.04 2k39 h VAL 26 Cb 1.94 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.94 2k39 h VAL 26 CO 0.10 0.45 0.57 0.11 0.02 0.00 0.00 177.57 178.82 2k39 h LYS 27 N 0.66 0.89 -0.48 1.57 1.57 -1.26 -1.76 116.57 117.77 2k39 h LYS 27 Ca 0.09 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 2k39 h LYS 27 Cb 0.77 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2k39 h LYS 27 CO 0.06 0.59 -0.14 0.00 -0.57 0.00 0.00 179.45 179.39 2k39 h ALA 28 N 1.54 0.85 -0.24 3.86 0.00 -1.34 -2.20 119.26 121.73 2k39 h ALA 28 Ca 0.39 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2k39 h ALA 28 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2k39 h ALA 28 CO -0.15 0.64 -0.16 0.87 0.00 0.00 0.00 179.25 180.45 2k39 h LYS 29 N 0.80 0.42 -0.23 0.00 1.57 -1.17 0.27 116.57 118.22 2k39 h LYS 29 Ca 0.12 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2k39 h LYS 29 Cb 0.67 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2k39 h LYS 29 CO 0.05 0.57 -0.58 0.82 -0.57 0.00 0.00 179.45 179.75 2k39 h ILE 30 N 0.38 1.29 -0.96 1.86 2.04 -1.19 -3.21 117.51 117.72 2k39 h ILE 30 Ca 0.07 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.16 2k39 h ILE 30 Cb 0.51 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 2k39 h ILE 30 CO 0.03 0.57 0.63 -0.61 0.00 0.00 0.00 178.15 178.77 2k39 h GLN 31 N 0.55 1.27 -0.15 2.37 4.15 -0.73 -1.64 115.11 120.92 2k39 h GLN 31 Ca -0.01 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.37 2k39 h GLN 31 Cb 1.19 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 2k39 h GLN 31 CO 0.13 0.85 0.11 0.22 -1.93 0.00 0.00 178.83 178.20 2k39 h ASP 32 N 1.30 0.05 0.00 -0.69 3.58 -0.50 -0.82 116.42 119.34 2k39 h ASP 32 Ca 0.35 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.70 2k39 h ASP 32 Cb -0.14 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2k39 h ASP 32 CO -0.07 0.03 -1.01 0.29 -2.88 0.00 0.00 179.24 175.60 2k39 n LYS 33 N -4.50 0.51 -0.00 0.28 4.76 -1.00 -4.82 118.16 113.39 2k39 n LYS 33 Ca 0.00 0.43 0.01 0.00 -2.87 0.00 0.00 58.31 55.88 2k39 n LYS 33 Cb 0.19 -1.61 -0.01 0.00 -1.84 0.00 0.00 35.03 31.76 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k39 n GLU 34 N -4.50 4.38 0.00 1.97 -0.58 -0.65 -5.06 120.64 116.19 2k39 n GLU 34 Ca -0.19 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 2k39 n GLU 34 Cb 0.48 -0.74 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k39 n GLY 35 N 1.46 0.76 3.68 0.62 0.00 -0.32 -5.00 105.19 106.38 2k39 n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.14 4.45 0.32 -0.61 1.09 -1.26 -4.94 121.20 118.11 2k39 s ILE 36 Ca 0.00 1.75 -0.29 0.00 -1.10 0.00 0.00 60.65 61.01 2k39 s ILE 36 Cb 0.00 -4.13 -0.11 0.00 -1.06 0.00 0.00 42.46 37.17 2k39 s ILE 36 CO 0.00 -0.06 1.44 -2.16 -0.10 0.00 0.00 174.94 174.05 2k39 s PRO 37 N 2.64 4.22 0.64 2.79 0.04 -1.26 -4.31 135.00 139.76 2k39 s PRO 37 Ca 0.52 2.41 0.39 0.00 0.04 0.00 0.00 61.00 64.36 2k39 s PRO 37 Cb -0.21 -3.04 2.21 0.00 0.04 0.00 0.00 34.50 33.51 2k39 s PRO 37 CO 0.17 -0.42 2.33 -1.00 0.04 0.00 0.00 177.00 178.12 2k39 h PRO 38 N 3.80 0.00 0.00 0.56 0.13 -1.94 -2.80 132.00 131.74 2k39 h PRO 38 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k39 h PRO 38 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k39 h PRO 38 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 2k39 n ASP 39 N -3.35 0.44 -0.22 1.44 5.75 -1.26 -0.89 116.55 118.46 2k39 n ASP 39 Ca -0.03 0.65 0.11 0.00 -0.01 0.00 0.00 54.79 55.51 2k39 n ASP 39 Cb 0.08 -0.73 0.01 0.00 -1.03 0.00 0.00 41.12 39.45 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k39 n GLN 40 N -2.03 0.55 -2.72 0.11 6.02 -1.06 -4.93 117.38 113.32 2k39 n GLN 40 Ca 0.01 -0.44 -0.35 0.00 -0.01 0.00 0.00 57.00 56.21 2k39 n GLN 40 Cb 0.13 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2k39 s GLN 41 N -2.75 4.24 -0.03 -1.09 1.11 -0.07 -0.48 119.66 120.60 2k39 s GLN 41 Ca 0.14 1.28 0.01 0.00 0.01 0.00 0.00 55.36 56.80 2k39 s GLN 41 Cb 0.17 -2.39 0.02 0.00 -1.01 0.00 0.00 33.01 29.80 2k39 s GLN 41 CO 0.70 -0.03 -0.05 0.50 0.01 0.00 0.00 175.29 176.43 2k39 s ARG 42 N -2.78 0.71 -0.32 2.91 3.52 -0.37 -4.95 118.95 117.66 2k39 s ARG 42 Ca 0.59 -0.12 -0.01 0.00 -0.13 0.00 0.00 55.73 56.06 2k39 s ARG 42 Cb -0.15 -0.72 0.07 0.00 -1.56 0.00 0.00 34.95 32.59 2k39 s ARG 42 CO 0.19 -0.03 0.04 -0.51 -0.81 0.00 0.00 175.30 174.18 2k39 s LEU 43 N 0.64 4.21 0.05 -0.88 1.43 -1.26 -1.34 118.68 121.52 2k39 s LEU 43 Ca -0.08 -1.52 0.08 0.00 -1.03 0.00 0.00 54.13 51.58 2k39 s LEU 43 Cb -0.11 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 2k39 s LEU 43 CO 0.00 -0.32 -0.24 -0.63 0.23 0.00 0.00 176.35 175.39 2k39 s ILE 44 N 1.18 1.90 -0.17 -0.59 1.01 -1.26 -1.32 121.20 121.95 2k39 s ILE 44 Ca -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 60.65 59.29 2k39 s ILE 44 Cb -0.20 -1.64 0.07 0.00 0.01 0.00 0.00 42.46 40.70 2k39 s ILE 44 CO -0.03 0.28 0.14 0.72 0.00 0.00 0.00 174.94 176.06 2k39 s PHE 45 N -0.81 -0.01 -0.90 3.97 -0.71 -0.56 -4.83 117.98 114.15 2k39 s PHE 45 Ca 0.10 -0.05 -0.01 0.00 -1.04 0.00 0.00 56.93 55.93 2k39 s PHE 45 Cb -0.09 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.18 2k39 s PHE 45 CO 0.02 -0.52 0.15 0.00 -1.34 0.00 0.00 175.22 173.53 2k39 n ALA 46 N 5.30 -0.42 0.00 1.99 0.00 -1.26 -2.58 120.51 123.54 2k39 n ALA 46 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2k39 n ALA 46 Cb 0.49 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.08 3.07 3.65 0.00 0.00 -1.26 -5.00 105.19 104.56 2k39 n GLY 47 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2k39 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 48 N -0.27 4.09 -0.15 1.61 2.20 -1.06 -5.02 119.74 121.14 2k39 s LYS 48 Ca 0.00 1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 56.68 2k39 s LYS 48 Cb 0.00 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2k39 s LYS 48 CO 0.00 -0.88 1.15 -1.14 -0.36 0.00 0.00 175.35 174.11 2k39 s GLN 49 N 3.73 4.30 -0.23 4.03 0.74 -1.26 -1.49 119.66 129.47 2k39 s GLN 49 Ca 0.52 1.54 -0.23 0.00 0.05 0.00 0.00 55.36 57.24 2k39 s GLN 49 Cb -0.17 -3.65 -0.01 0.00 1.10 0.00 0.00 33.01 30.28 2k39 s GLN 49 CO 0.17 -0.57 0.73 -0.51 -0.55 0.00 0.00 175.29 174.56 2k39 s LEU 50 N 2.90 4.09 0.09 3.68 1.02 -0.43 -5.00 118.68 125.02 2k39 s LEU 50 Ca 0.51 0.91 0.02 0.00 0.02 0.00 0.00 54.13 55.59 2k39 s LEU 50 Cb -0.20 -3.04 -0.04 0.00 0.02 0.00 0.00 46.19 42.93 2k39 s LEU 50 CO 0.14 -0.42 0.17 -0.70 0.02 0.00 0.00 176.35 175.56 2k39 s GLU 51 N 2.53 3.19 -0.47 1.70 2.56 -1.26 -4.73 118.70 122.22 2k39 s GLU 51 Ca 0.31 -0.59 -0.27 0.00 0.00 0.00 0.00 54.97 54.42 2k39 s GLU 51 Cb -0.16 -2.88 -0.03 0.00 2.00 0.00 0.00 34.13 33.06 2k39 s GLU 51 CO 0.09 0.57 1.96 -0.51 -0.56 0.00 0.00 175.26 176.81 2k39 s ASP 52 N -2.62 5.34 0.00 -1.70 1.11 -1.26 -2.65 116.67 114.88 2k39 s ASP 52 Ca 0.33 0.90 0.00 0.00 0.18 0.00 0.00 52.55 53.96 2k39 s ASP 52 Cb -0.12 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.35 2k39 s ASP 52 CO 0.26 -2.22 0.00 0.61 1.18 0.00 0.00 175.17 175.00 2k39 n GLY 53 N 5.66 1.74 3.78 0.21 0.00 -1.26 -4.94 105.19 110.38 2k39 n GLY 53 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.41 3.75 0.48 1.61 1.81 -1.08 -4.81 118.95 120.29 2k39 s ARG 54 Ca 0.00 1.66 0.06 0.00 -1.72 0.00 0.00 55.73 55.73 2k39 s ARG 54 Cb 0.00 -2.32 0.06 0.00 -0.45 0.00 0.00 34.95 32.24 2k39 s ARG 54 CO 0.00 -0.53 0.48 0.25 -0.68 0.00 0.00 175.30 174.81 2k39 n THR 55 N -0.63 0.00 0.06 0.02 -2.24 -1.26 -1.97 114.28 108.26 2k39 n THR 55 Ca 0.08 -1.76 -0.01 0.00 -2.27 0.00 0.00 64.05 60.09 2k39 n THR 55 Cb 0.49 -0.29 0.28 0.00 -2.10 0.00 0.00 70.33 68.71 2k39 n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k39 h LEU 56 N 0.00 0.36 -0.76 3.22 3.38 -1.67 -2.36 115.31 117.48 2k39 h LEU 56 Ca -0.27 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 2k39 h LEU 56 Cb 1.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2k39 h LEU 56 CO 0.41 0.58 -0.59 0.28 0.09 0.00 0.00 178.44 179.20 2k39 h SER 57 N 0.34 0.00 -0.09 -0.43 0.02 -1.79 -0.76 113.55 110.84 2k39 h SER 57 Ca 0.06 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2k39 h SER 57 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2k39 h SER 57 CO 0.04 0.59 -0.24 0.44 -1.14 0.00 0.00 176.83 176.52 2k39 h ASP 58 N 0.00 0.52 -0.62 3.07 3.32 -1.75 -3.09 116.42 117.86 2k39 h ASP 58 Ca -0.01 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2k39 h ASP 58 Cb 1.08 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2k39 h ASP 58 CO 0.08 0.75 0.00 -1.22 -1.72 0.00 0.00 179.24 177.13 2k39 n TYR 59 N -4.13 0.83 -1.08 4.55 4.01 -0.98 -4.97 117.16 115.39 2k39 n TYR 59 Ca -0.00 -0.41 -0.03 0.00 -0.16 0.00 0.00 57.90 57.30 2k39 n TYR 59 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.42 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2k39 n ASN 60 N 1.41 -3.96 -4.57 7.72 3.02 -0.50 -4.96 115.26 113.42 2k39 n ASN 60 Ca 0.22 0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 2k39 n ASN 60 Cb 0.56 -1.70 -0.07 0.00 -0.61 0.00 0.00 39.78 37.95 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k39 s ILE 61 N -1.89 4.94 0.61 2.41 -1.09 -0.41 -5.00 121.20 120.77 2k39 s ILE 61 Ca 0.00 0.51 -0.04 0.00 -2.23 0.00 0.00 60.65 58.89 2k39 s ILE 61 Cb 0.00 -4.02 0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2k39 s ILE 61 CO 0.00 -0.26 0.89 -1.10 -1.23 0.00 0.00 174.94 173.24 2k39 s GLN 62 N 2.57 2.52 0.07 2.79 -0.21 -1.26 -4.64 119.66 121.50 2k39 s GLN 62 Ca 0.22 -0.38 -0.14 0.00 0.02 0.00 0.00 55.36 55.08 2k39 s GLN 62 Cb -0.15 -2.32 -0.08 0.00 1.00 0.00 0.00 33.01 31.46 2k39 s GLN 62 CO 0.14 -0.89 0.30 0.36 -2.12 0.00 0.00 175.29 173.07 2k39 n LYS 63 N -2.61 0.00 -0.88 2.91 2.85 -1.26 -3.53 118.16 115.64 2k39 n LYS 63 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2k39 n LYS 63 Cb 0.59 -0.51 0.00 0.00 -0.65 0.00 0.00 35.03 34.46 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k39 n GLU 64 N 0.51 -0.35 -0.94 -1.58 2.13 0.16 -4.97 120.64 115.60 2k39 n GLU 64 Ca 0.09 0.09 -0.32 0.00 0.66 0.00 0.00 57.16 57.68 2k39 n GLU 64 Cb 0.10 -3.54 0.14 0.00 0.27 0.00 0.00 31.44 28.41 2k39 n GLU 64 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k39 s SER 65 N -2.34 3.42 -0.03 4.31 0.15 -1.23 -4.78 113.70 113.21 2k39 s SER 65 Ca 0.00 2.18 0.04 0.00 0.70 0.00 0.00 55.95 58.86 2k39 s SER 65 Cb 0.00 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2k39 s SER 65 CO 0.00 -2.77 -0.13 0.28 1.20 0.00 0.00 173.24 171.82 2k39 s THR 66 N -2.54 1.08 -0.06 6.45 -1.32 -1.26 -0.98 115.64 117.01 2k39 s THR 66 Ca 0.68 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 60.67 2k39 s THR 66 Cb -0.23 -0.93 -0.01 0.00 -1.51 0.00 0.00 72.50 69.82 2k39 s THR 66 CO 0.55 0.32 -0.24 -0.76 -2.21 0.00 0.00 174.62 172.27 2k39 s LEU 67 N -0.04 2.05 -0.08 9.08 1.02 -0.46 -4.96 118.68 125.29 2k39 s LEU 67 Ca -0.00 -0.50 -0.12 0.00 0.02 0.00 0.00 54.13 53.53 2k39 s LEU 67 Cb -0.08 -1.33 -0.05 0.00 0.02 0.00 0.00 46.19 44.75 2k39 s LEU 67 CO 0.01 0.23 0.28 -1.38 0.02 0.00 0.00 176.35 175.51 2k39 s HIS 68 N -0.12 3.62 0.36 0.29 -3.43 -1.26 -1.23 115.29 113.52 2k39 s HIS 68 Ca -0.04 0.72 0.09 0.00 -0.80 0.00 0.00 55.06 55.03 2k39 s HIS 68 Cb -0.14 -2.17 -0.06 0.00 -1.43 0.00 0.00 32.58 28.79 2k39 s HIS 68 CO 0.04 0.59 0.00 -0.48 -2.00 0.00 0.00 174.74 172.89 2k39 s LEU 69 N -0.70 2.91 0.08 5.38 0.05 -1.25 -4.50 118.68 120.65 2k39 s LEU 69 Ca 0.19 -1.12 0.09 0.00 0.05 0.00 0.00 54.13 53.33 2k39 s LEU 69 Cb -0.14 -1.19 -0.04 0.00 -2.05 0.00 0.00 46.19 42.77 2k39 s LEU 69 CO 0.08 -0.30 -0.22 -0.69 -0.55 0.00 0.00 176.35 174.67 2k39 s VAL 70 N -2.58 2.53 -0.19 1.48 1.01 -0.45 -4.67 120.40 117.53 2k39 s VAL 70 Ca 0.35 -1.44 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 2k39 s VAL 70 Cb 0.03 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2k39 s VAL 70 CO 0.19 0.23 -0.07 -0.76 0.00 0.00 0.00 175.10 174.69 2k39 s LEU 71 N -1.70 2.86 0.02 3.92 1.43 -1.26 -1.23 118.68 122.71 2k39 s LEU 71 Ca 0.15 -0.35 0.24 0.00 -1.03 0.00 0.00 54.13 53.13 2k39 s LEU 71 Cb -0.10 -1.70 0.31 0.00 0.03 0.00 0.00 46.19 44.73 2k39 s LEU 71 CO 0.06 0.05 1.27 0.54 0.23 0.00 0.00 176.35 178.50 2k39 n ARG 72 N 4.30 0.07 -3.77 1.70 1.74 0.37 -4.37 116.66 116.70 2k39 n ARG 72 Ca -0.18 0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.54 2k39 n ARG 72 Cb 0.51 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k39 s LEU 73 N -3.26 3.62 0.00 0.55 2.01 -1.26 -4.53 118.68 115.81 2k39 s LEU 73 Ca 0.09 -0.51 0.00 0.00 0.01 0.00 0.00 54.13 53.72 2k39 s LEU 73 Cb 0.16 -1.88 0.00 0.00 0.01 0.00 0.00 46.19 44.48 2k39 s LEU 73 CO 0.74 -0.12 0.00 -1.14 1.01 0.00 0.00 176.35 176.84 2k39 n ARG 74 N 4.88 0.00 -4.40 1.70 0.63 -1.26 -5.09 116.66 113.13 2k39 n ARG 74 Ca -0.15 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.55 2k39 n ARG 74 Cb 0.49 -2.32 -0.11 0.00 0.45 0.00 0.00 32.46 30.98 2k39 n ARG 74 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2k39 s GLY 75 N -2.90 1.61 0.00 5.14 0.00 -1.26 -5.04 107.32 104.87 2k39 s GLY 75 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.05 2k39 s GLY 75 CO 0.00 -1.74 0.52 0.61 0.00 0.00 0.00 173.10 172.49