#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 0.02 2.12 -0.21 -1.26 -1.19 119.66 123.31 2k39 s GLN 2 Ca 0.00 0.12 0.05 0.00 0.02 0.00 0.00 55.36 55.55 2k39 s GLN 2 Cb 0.00 -3.52 -0.03 0.00 1.00 0.00 0.00 33.01 30.45 2k39 s GLN 2 CO 0.00 0.01 -0.11 0.96 -2.12 0.00 0.00 175.29 174.03 2k39 s ILE 3 N 1.16 3.29 -0.45 1.08 -4.36 -0.48 -0.53 121.20 120.92 2k39 s ILE 3 Ca 0.17 -0.95 -0.15 0.00 -0.26 0.00 0.00 60.65 59.46 2k39 s ILE 3 Cb -0.14 -2.42 0.06 0.00 1.25 0.00 0.00 42.46 41.21 2k39 s ILE 3 CO 0.07 0.36 0.36 -0.36 0.24 0.00 0.00 174.94 175.61 2k39 s PHE 4 N -0.97 3.25 -0.52 1.37 0.08 -0.61 -1.43 117.98 119.15 2k39 s PHE 4 Ca 0.16 -0.90 -0.23 0.00 0.12 0.00 0.00 56.93 56.09 2k39 s PHE 4 Cb -0.11 -2.99 0.04 0.00 -0.57 0.00 0.00 43.02 39.39 2k39 s PHE 4 CO 0.07 -0.75 0.84 0.08 -0.10 0.00 0.00 175.22 175.36 2k39 s VAL 5 N 1.63 4.55 0.07 -0.44 1.01 -0.28 0.14 120.40 127.08 2k39 s VAL 5 Ca 0.04 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 2k39 s VAL 5 Cb -0.23 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.65 2k39 s VAL 5 CO 0.07 -0.95 0.76 -0.75 0.00 0.00 0.00 175.10 174.23 2k39 s LYS 6 N 3.53 4.50 0.75 2.72 2.47 0.64 -0.89 119.74 133.47 2k39 s LYS 6 Ca 0.27 1.07 -0.12 0.00 -1.56 0.00 0.00 55.97 55.64 2k39 s LYS 6 Cb -0.14 -3.34 0.04 0.00 -1.46 0.00 0.00 37.83 32.94 2k39 s LYS 6 CO 0.19 0.35 1.11 0.95 0.16 0.00 0.00 175.35 178.10 2k39 s THR 7 N -0.30 3.18 -0.85 3.43 -4.23 -0.81 -1.19 115.64 114.88 2k39 s THR 7 Ca 0.38 0.38 0.27 0.00 -1.18 0.00 0.00 61.69 61.54 2k39 s THR 7 Cb -0.21 -3.29 0.18 0.00 1.34 0.00 0.00 72.50 70.53 2k39 s THR 7 CO 0.23 -0.50 1.69 0.00 -0.54 0.00 0.00 174.62 175.50 2k39 n LEU 8 N -3.20 0.48 -0.17 4.79 -0.00 -1.26 -3.95 117.00 113.69 2k39 n LEU 8 Ca 0.07 0.40 -0.10 0.00 -0.00 0.00 0.00 56.01 56.38 2k39 n LEU 8 Cb 0.57 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 2k39 n LEU 8 CO 0.57 -0.05 0.78 0.71 -0.00 0.00 0.00 177.39 179.40 2k39 h THR 9 N 0.00 1.27 0.00 1.47 1.35 -1.95 -3.48 112.91 111.57 2k39 h THR 9 Ca 0.00 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2k39 h THR 9 Cb 0.62 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2k39 h THR 9 CO 0.00 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 2k39 n GLY 10 N -0.32 1.18 3.38 5.82 0.00 -1.25 -5.15 105.19 108.83 2k39 n GLY 10 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2k39 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 11 N -0.06 1.50 0.43 1.61 -2.85 -1.26 -5.04 119.74 114.06 2k39 s LYS 11 Ca 0.00 -1.81 0.07 0.00 -1.00 0.00 0.00 55.97 53.23 2k39 s LYS 11 Cb 0.00 -0.62 -0.05 0.00 -2.06 0.00 0.00 37.83 35.10 2k39 s LYS 11 CO 0.00 -0.19 0.15 0.99 0.10 0.00 0.00 175.35 176.40 2k39 s THR 12 N -3.46 2.11 0.02 3.79 2.01 -1.26 -1.91 115.64 116.93 2k39 s THR 12 Ca 0.35 -1.76 0.01 0.00 0.31 0.00 0.00 61.69 60.59 2k39 s THR 12 Cb 0.08 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2k39 s THR 12 CO 0.13 0.00 -0.03 0.27 -0.69 0.00 0.00 174.62 174.30 2k39 s ILE 13 N -2.65 0.21 -0.40 1.82 -4.36 -0.06 -4.94 121.20 110.81 2k39 s ILE 13 Ca 0.37 -0.58 -0.08 0.00 -0.26 0.00 0.00 60.65 60.09 2k39 s ILE 13 Cb 0.05 -0.27 0.07 0.00 1.25 0.00 0.00 42.46 43.55 2k39 s ILE 13 CO 0.20 -0.24 0.22 -0.89 0.24 0.00 0.00 174.94 174.47 2k39 s THR 14 N -0.83 4.09 -0.13 8.37 2.01 -1.26 -1.12 115.64 126.77 2k39 s THR 14 Ca -0.08 -1.36 -0.14 0.00 0.31 0.00 0.00 61.69 60.42 2k39 s THR 14 Cb -0.06 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 2k39 s THR 14 CO -0.00 -0.44 0.33 -0.76 -0.69 0.00 0.00 174.62 173.06 2k39 s LEU 15 N 1.41 4.28 -0.17 4.42 1.43 -0.52 -4.92 118.68 124.61 2k39 s LEU 15 Ca 0.02 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.45 2k39 s LEU 15 Cb -0.22 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2k39 s LEU 15 CO 0.02 0.12 1.30 -1.61 0.23 0.00 0.00 176.35 176.41 2k39 s GLU 16 N 0.24 4.20 0.05 1.70 0.41 -1.26 -1.38 118.70 122.66 2k39 s GLU 16 Ca 0.19 1.67 -0.02 0.00 -0.41 0.00 0.00 54.97 56.40 2k39 s GLU 16 Cb -0.14 -3.79 -0.03 0.00 -1.78 0.00 0.00 34.13 28.39 2k39 s GLU 16 CO 0.06 -0.75 0.01 0.14 -0.49 0.00 0.00 175.26 174.23 2k39 s VAL 17 N 3.62 0.18 0.38 2.63 -7.23 -0.33 -4.86 120.40 114.79 2k39 s VAL 17 Ca 0.56 -1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 2k39 s VAL 17 Cb -0.22 -1.20 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 2k39 s VAL 17 CO 0.16 -0.83 0.78 -0.70 -0.31 0.00 0.00 175.10 174.20 2k39 s GLU 18 N -3.32 3.87 0.60 4.82 -6.30 -1.26 0.03 118.70 117.14 2k39 s GLU 18 Ca 0.01 0.58 0.35 0.00 -2.50 0.00 0.00 54.97 53.41 2k39 s GLU 18 Cb 0.03 -2.38 1.91 0.00 0.00 0.00 0.00 34.13 33.69 2k39 s GLU 18 CO -0.08 0.01 2.23 -1.35 0.02 0.00 0.00 175.26 176.10 2k39 h PRO 19 N 1.58 0.00 -0.58 4.30 0.11 -1.95 -2.44 132.00 133.02 2k39 h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.64 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 2k39 n SER 20 N -3.48 3.24 -4.74 -2.05 3.41 -1.26 -1.38 113.62 107.36 2k39 n SER 20 Ca -0.02 -2.12 -0.41 0.00 -0.26 0.00 0.00 58.87 56.06 2k39 n SER 20 Cb 0.13 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k39 s ASP 21 N -0.93 6.94 0.35 4.04 1.01 -0.92 -4.83 116.67 122.33 2k39 s ASP 21 Ca 0.38 2.38 -0.07 0.00 0.71 0.00 0.00 52.55 55.95 2k39 s ASP 21 Cb 0.21 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 2k39 s ASP 21 CO 0.23 -0.49 0.66 0.42 0.21 0.00 0.00 175.17 176.20 2k39 s THR 22 N -0.02 4.92 0.21 -1.27 -4.23 -1.26 -1.69 115.64 112.29 2k39 s THR 22 Ca 0.55 0.28 -0.22 0.00 -1.18 0.00 0.00 61.69 61.12 2k39 s THR 22 Cb -0.36 -3.74 0.14 0.00 1.34 0.00 0.00 72.50 69.88 2k39 s THR 22 CO 0.39 -0.44 1.55 0.40 -0.54 0.00 0.00 174.62 175.97 2k39 h ILE 23 N 1.16 0.00 -0.99 2.99 1.08 -1.84 -0.15 117.51 119.76 2k39 h ILE 23 Ca -0.47 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.14 2k39 h ILE 23 Cb 1.19 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.86 2k39 h ILE 23 CO 0.65 0.00 0.62 -0.08 -0.69 0.00 0.00 178.15 178.65 2k39 h GLU 24 N -0.01 0.88 -0.12 2.37 4.57 -1.92 -0.29 114.58 120.05 2k39 h GLU 24 Ca 0.28 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.29 2k39 h GLU 24 Cb 0.54 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2k39 h GLU 24 CO -0.96 0.58 -0.46 -0.91 -1.18 0.00 0.00 179.01 176.08 2k39 h ASN 25 N 0.90 0.33 -0.49 1.04 4.21 -1.42 -0.42 115.58 119.73 2k39 h ASN 25 Ca 0.52 -0.15 0.01 0.00 1.21 0.00 0.00 56.30 57.88 2k39 h ASN 25 Cb 0.63 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.71 2k39 h ASN 25 CO -0.29 0.75 0.31 0.58 -1.29 0.00 0.00 177.43 177.49 2k39 h VAL 26 N 0.25 1.11 -0.33 2.81 2.07 -0.98 -1.74 116.25 119.43 2k39 h VAL 26 Ca 0.02 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2k39 h VAL 26 Cb 0.91 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 2k39 h VAL 26 CO 0.08 0.12 -0.06 0.11 0.02 0.00 0.00 177.57 177.83 2k39 h LYS 27 N 0.64 0.02 -0.39 1.57 1.57 -0.67 0.50 116.57 119.81 2k39 h LYS 27 Ca 0.18 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2k39 h LYS 27 Cb -0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2k39 h LYS 27 CO -0.05 0.02 0.06 0.00 -0.57 0.00 0.00 179.45 178.91 2k39 h ALA 28 N 1.32 1.38 0.00 3.86 0.00 -0.92 0.17 119.26 125.07 2k39 h ALA 28 Ca 0.16 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2k39 h ALA 28 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k39 h ALA 28 CO -0.32 0.44 -0.42 0.87 0.00 0.00 0.00 179.25 179.82 2k39 h LYS 29 N 0.57 0.00 -0.35 0.00 1.57 -0.80 -2.78 116.57 114.79 2k39 h LYS 29 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 2k39 h LYS 29 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k39 h LYS 29 CO 0.00 0.42 -0.42 0.82 -0.57 0.00 0.00 179.45 179.70 2k39 h ILE 30 N 0.00 1.28 -0.48 1.86 2.04 -0.35 -3.33 117.51 118.53 2k39 h ILE 30 Ca -0.00 -1.60 -0.13 0.00 1.00 0.00 0.00 64.86 64.13 2k39 h ILE 30 Cb 1.24 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2k39 h ILE 30 CO 0.05 0.53 -0.20 -0.61 0.00 0.00 0.00 178.15 177.92 2k39 h GLN 31 N 0.70 0.96 -0.99 2.37 4.15 -0.72 0.16 115.11 121.75 2k39 h GLN 31 Ca 0.05 -0.39 0.14 0.00 0.77 0.00 0.00 58.65 59.21 2k39 h GLN 31 Cb 1.02 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.58 2k39 h GLN 31 CO 0.10 1.06 0.62 0.22 -1.93 0.00 0.00 178.83 178.90 2k39 h ASP 32 N 0.83 0.85 0.07 -0.69 3.58 -1.66 0.98 116.42 120.38 2k39 h ASP 32 Ca 0.11 0.06 -0.30 0.00 0.42 0.00 0.00 57.03 57.32 2k39 h ASP 32 Cb 0.76 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2k39 h ASP 32 CO 0.06 0.41 -1.62 0.11 -2.88 0.00 0.00 179.24 175.33 2k39 h LYS 33 N 0.89 0.15 0.00 0.28 1.79 -1.52 -3.42 116.57 114.74 2k39 h LYS 33 Ca 0.51 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2k39 h LYS 33 Cb 0.63 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2k39 h LYS 33 CO -0.29 1.12 -1.78 0.39 -1.08 0.00 0.00 179.45 177.82 2k39 n GLU 34 N -3.95 0.64 0.00 3.15 -0.58 0.52 -4.96 120.64 115.45 2k39 n GLU 34 Ca -0.31 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 2k39 n GLU 34 Cb 0.87 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 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 1.25 2.23 3.62 0.62 0.00 0.34 -4.99 105.19 108.25 2k39 n GLY 35 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.33 3.74 0.68 -0.61 1.01 -1.26 -4.76 121.20 117.68 2k39 s ILE 36 Ca 0.00 0.81 -0.16 0.00 0.00 0.00 0.00 60.65 61.31 2k39 s ILE 36 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2k39 s ILE 36 CO 0.00 -0.41 1.17 -2.84 0.00 0.00 0.00 174.94 172.87 2k39 s PRO 37 N 4.82 2.49 0.41 2.79 0.02 -1.26 -4.23 135.00 140.04 2k39 s PRO 37 Ca 0.69 1.65 0.08 0.00 0.02 0.00 0.00 61.00 63.44 2k39 s PRO 37 Cb -0.22 -1.89 0.87 0.00 0.02 0.00 0.00 34.50 33.28 2k39 s PRO 37 CO 0.30 -1.54 2.05 -1.00 -0.33 0.00 0.00 177.00 176.47 2k39 h PRO 38 N 0.00 0.54 0.00 5.54 0.13 -1.93 -1.06 132.00 135.22 2k39 h PRO 38 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2k39 h PRO 38 Cb 1.28 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k39 h PRO 38 CO 0.52 0.36 0.00 -3.47 -0.23 0.00 0.00 178.00 175.18 2k39 n ASP 39 N -4.47 0.00 -0.20 1.44 2.03 -1.26 -0.97 116.55 113.12 2k39 n ASP 39 Ca 0.04 0.13 0.01 0.00 0.52 0.00 0.00 54.79 55.49 2k39 n ASP 39 Cb 0.10 -0.15 0.02 0.00 -0.72 0.00 0.00 41.12 40.37 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k39 n GLN 40 N -1.15 0.48 -4.03 -0.67 10.64 -0.41 -4.76 117.38 117.49 2k39 n GLN 40 Ca 0.00 -1.03 -0.22 0.00 -1.83 0.00 0.00 57.00 53.93 2k39 n GLN 40 Cb 0.00 -0.66 -0.04 0.00 -0.86 0.00 0.00 30.24 28.68 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 -0.43 2.88 -0.24 2.61 -0.21 -0.14 -2.64 119.66 121.50 2k39 s GLN 41 Ca 0.03 -1.11 -0.21 0.00 0.02 0.00 0.00 55.36 54.09 2k39 s GLN 41 Cb 0.03 -2.55 0.06 0.00 1.00 0.00 0.00 33.01 31.55 2k39 s GLN 41 CO 0.00 0.32 0.63 0.50 -2.12 0.00 0.00 175.29 174.63 2k39 s ARG 42 N -3.89 0.73 -0.14 2.91 3.52 -0.82 -4.91 118.95 116.36 2k39 s ARG 42 Ca 0.35 0.90 -0.00 0.00 -0.13 0.00 0.00 55.73 56.84 2k39 s ARG 42 Cb -0.07 0.34 0.03 0.00 -1.56 0.00 0.00 34.95 33.69 2k39 s ARG 42 CO 0.25 -0.09 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.07 2k39 s LEU 43 N 0.42 1.39 -0.12 -0.88 1.43 -1.26 -0.75 118.68 118.91 2k39 s LEU 43 Ca -0.01 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2k39 s LEU 43 Cb -0.05 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2k39 s LEU 43 CO -0.00 -0.14 0.10 -0.63 0.23 0.00 0.00 176.35 175.91 2k39 s ILE 44 N 1.66 5.20 -0.10 -0.59 -1.09 -0.36 -2.43 121.20 123.49 2k39 s ILE 44 Ca 0.03 0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 58.45 2k39 s ILE 44 Cb -0.14 -3.26 0.03 0.00 -1.58 0.00 0.00 42.46 37.52 2k39 s ILE 44 CO -0.08 0.61 0.29 0.12 -1.23 0.00 0.00 174.94 174.64 2k39 s PHE 45 N -0.90 -0.31 0.00 3.97 5.36 -0.30 -2.30 117.98 123.50 2k39 s PHE 45 Ca 0.14 0.74 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 2k39 s PHE 45 Cb -0.12 0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.67 2k39 s PHE 45 CO 0.03 -0.16 0.00 0.00 -1.46 0.00 0.00 175.22 173.63 2k39 n ALA 46 N 2.85 0.00 0.00 11.12 0.00 -1.26 -3.14 120.51 130.08 2k39 n ALA 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k39 n ALA 46 Cb 0.58 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.19 1.64 3.70 0.00 0.00 -1.26 -5.09 105.19 103.00 2k39 n GLY 47 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2k39 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 48 N -0.31 2.32 -0.26 1.61 -2.85 -1.19 -5.07 119.74 114.00 2k39 s LYS 48 Ca 0.00 -1.54 -0.29 0.00 -1.00 0.00 0.00 55.97 53.14 2k39 s LYS 48 Cb 0.00 -2.14 0.01 0.00 -2.06 0.00 0.00 37.83 33.64 2k39 s LYS 48 CO 0.00 0.17 1.10 -1.14 0.10 0.00 0.00 175.35 175.58 2k39 s GLN 49 N -3.79 4.17 -0.03 1.78 0.74 -1.26 -1.15 119.66 120.11 2k39 s GLN 49 Ca 0.36 1.29 -0.29 0.00 0.05 0.00 0.00 55.36 56.77 2k39 s GLN 49 Cb -0.03 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.35 2k39 s GLN 49 CO 0.22 -0.77 0.95 -0.51 -0.55 0.00 0.00 175.29 174.63 2k39 s LEU 50 N 3.47 4.34 0.32 3.68 1.43 -1.02 -4.96 118.68 125.95 2k39 s LEU 50 Ca 0.47 1.57 -0.04 0.00 -1.03 0.00 0.00 54.13 55.10 2k39 s LEU 50 Cb -0.15 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2k39 s LEU 50 CO 0.11 -0.28 0.58 -0.70 0.23 0.00 0.00 176.35 176.29 2k39 s GLU 51 N 1.17 3.59 0.11 1.70 2.56 -1.26 -4.71 118.70 121.86 2k39 s GLU 51 Ca 0.49 -0.05 -0.36 0.00 0.00 0.00 0.00 54.97 55.06 2k39 s GLU 51 Cb -0.20 -2.62 -0.16 0.00 2.00 0.00 0.00 34.13 33.14 2k39 s GLU 51 CO 0.25 0.16 1.34 -3.47 -0.56 0.00 0.00 175.26 172.98 2k39 n ASP 52 N -1.25 1.78 0.00 -1.70 2.03 -1.26 -3.87 116.55 112.28 2k39 n ASP 52 Ca -0.02 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2k39 n ASP 52 Cb 0.54 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k39 n GLY 53 N 2.54 2.25 3.84 0.27 0.00 -1.26 -5.03 105.19 107.80 2k39 n GLY 53 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.15 4.08 0.73 1.61 3.00 -1.25 -4.93 118.95 122.04 2k39 s ARG 54 Ca 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 55.73 56.44 2k39 s ARG 54 Cb 0.00 -2.35 0.03 0.00 0.00 0.00 0.00 34.95 32.63 2k39 s ARG 54 CO 0.00 0.09 1.10 0.95 0.00 0.00 0.00 175.30 177.45 2k39 s THR 55 N -2.05 3.31 0.33 0.02 -4.23 -1.26 -3.43 115.64 108.33 2k39 s THR 55 Ca 0.57 0.43 0.20 0.00 -1.18 0.00 0.00 61.69 61.70 2k39 s THR 55 Cb -0.10 -3.39 0.18 0.00 1.34 0.00 0.00 72.50 70.54 2k39 s THR 55 CO 0.16 -0.56 1.90 -0.07 -0.54 0.00 0.00 174.62 175.51 2k39 h LEU 56 N -0.75 0.00 -1.14 4.79 3.38 -0.59 -2.38 115.31 118.63 2k39 h LEU 56 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2k39 h LEU 56 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k39 h LEU 56 CO 0.63 0.27 -0.02 0.77 0.09 0.00 0.00 178.44 180.18 2k39 h SER 57 N 0.00 0.00 1.02 -0.43 4.64 -1.49 -1.62 113.55 115.67 2k39 h SER 57 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k39 h SER 57 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2k39 h SER 57 CO 0.03 0.02 0.00 0.44 -0.87 0.00 0.00 176.83 176.46 2k39 h ASP 58 N 0.00 0.00 -0.06 4.97 3.32 -1.73 -0.25 116.42 122.67 2k39 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k39 h ASP 58 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2k39 h ASP 58 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 2k39 n TYR 59 N -2.71 0.07 -3.82 4.55 4.01 -1.15 -4.99 117.16 113.11 2k39 n TYR 59 Ca 0.02 -0.08 -0.26 0.00 -0.16 0.00 0.00 57.90 57.41 2k39 n TYR 59 Cb 0.30 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.36 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k39 n ASN 60 N 0.51 -3.23 -4.73 7.72 5.15 -0.11 -4.99 115.26 115.59 2k39 n ASN 60 Ca 0.06 -0.80 -0.42 0.00 -0.60 0.00 0.00 54.58 52.83 2k39 n ASN 60 Cb 0.27 -3.96 -0.03 0.00 -0.53 0.00 0.00 39.78 35.53 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k39 s ILE 61 N -3.47 2.90 0.35 -1.44 1.01 -1.04 -5.01 121.20 114.49 2k39 s ILE 61 Ca 0.37 0.68 0.05 0.00 0.00 0.00 0.00 60.65 61.75 2k39 s ILE 61 Cb -0.19 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 2k39 s ILE 61 CO 0.82 0.07 0.03 -1.10 0.00 0.00 0.00 174.94 174.76 2k39 s GLN 62 N 0.66 1.74 -0.11 2.79 1.11 -1.26 -4.67 119.66 119.93 2k39 s GLN 62 Ca 0.65 -1.96 -0.41 0.00 0.01 0.00 0.00 55.36 53.64 2k39 s GLN 62 Cb -0.40 -1.17 -0.19 0.00 -1.01 0.00 0.00 33.01 30.24 2k39 s GLN 62 CO 0.34 -0.11 1.28 0.36 0.01 0.00 0.00 175.29 177.17 2k39 n LYS 63 N -0.77 0.30 -2.35 2.91 -0.00 -1.26 -3.03 118.16 113.96 2k39 n LYS 63 Ca -0.04 0.11 -0.15 0.00 -0.00 0.00 0.00 58.31 58.23 2k39 n LYS 63 Cb 0.66 -1.65 -0.00 0.00 -0.00 0.00 0.00 35.03 34.04 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 2.51 -1.50 -2.84 -1.58 1.02 0.32 -5.00 120.64 113.56 2k39 n GLU 64 Ca 0.22 0.73 -0.33 0.00 -0.02 0.00 0.00 57.16 57.77 2k39 n GLU 64 Cb 0.08 -5.09 -0.06 0.00 -0.02 0.00 0.00 31.44 26.35 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 -2.37 6.82 -0.32 1.62 0.01 -1.17 -4.73 113.70 113.56 2k39 s SER 65 Ca 0.03 1.53 -0.14 0.00 1.31 0.00 0.00 55.95 58.67 2k39 s SER 65 Cb -0.01 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 2k39 s SER 65 CO 0.03 -0.36 0.33 -0.89 0.41 0.00 0.00 173.24 172.77 2k39 s THR 66 N -2.21 5.20 -0.03 1.44 2.01 -1.26 -1.57 115.64 119.21 2k39 s THR 66 Ca 0.59 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.69 2k39 s THR 66 Cb -0.10 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2k39 s THR 66 CO 0.18 0.00 0.17 -0.76 -0.69 0.00 0.00 174.62 173.52 2k39 s LEU 67 N 1.97 4.33 -0.34 4.42 1.02 0.12 -4.94 118.68 125.26 2k39 s LEU 67 Ca 0.11 0.35 -0.04 0.00 0.02 0.00 0.00 54.13 54.57 2k39 s LEU 67 Cb -0.16 -2.50 0.06 0.00 0.02 0.00 0.00 46.19 43.61 2k39 s LEU 67 CO 0.11 0.29 0.09 -1.00 0.02 0.00 0.00 176.35 175.85 2k39 s HIS 68 N -1.27 3.34 0.11 0.29 3.76 -0.97 -0.26 115.29 120.28 2k39 s HIS 68 Ca 0.25 -1.85 -0.29 0.00 -0.15 0.00 0.00 55.06 53.01 2k39 s HIS 68 Cb -0.12 -2.44 -0.06 0.00 1.11 0.00 0.00 32.58 31.06 2k39 s HIS 68 CO 0.16 -0.82 0.94 -1.17 -0.85 0.00 0.00 174.74 173.00 2k39 s LEU 69 N 1.28 4.50 -0.04 0.89 2.96 -0.34 -1.23 118.68 126.71 2k39 s LEU 69 Ca -0.01 1.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.71 2k39 s LEU 69 Cb -0.20 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 2k39 s LEU 69 CO -0.01 -0.05 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.10 2k39 s VAL 70 N -0.04 1.53 -0.07 1.68 1.01 0.07 -4.22 120.40 120.37 2k39 s VAL 70 Ca 0.46 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2k39 s VAL 70 Cb -0.23 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2k39 s VAL 70 CO 0.29 0.44 0.41 -1.48 0.00 0.00 0.00 175.10 174.76 2k39 s LEU 71 N -0.15 4.37 0.47 3.92 2.34 -1.26 -1.94 118.68 126.42 2k39 s LEU 71 Ca 0.00 0.83 0.03 0.00 0.06 0.00 0.00 54.13 55.05 2k39 s LEU 71 Cb -0.10 -2.58 -0.04 0.00 -0.56 0.00 0.00 46.19 42.91 2k39 s LEU 71 CO 0.01 0.18 0.01 -0.13 -1.06 0.00 0.00 176.35 175.36 2k39 s ARG 72 N -0.24 2.09 0.60 1.48 0.52 -1.08 -5.00 118.95 117.32 2k39 s ARG 72 Ca 0.23 -2.28 -0.08 0.00 -0.52 0.00 0.00 55.73 53.08 2k39 s ARG 72 Cb -0.15 -1.54 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 2k39 s ARG 72 CO 0.10 -0.24 0.94 -0.51 0.02 0.00 0.00 175.30 175.61 2k39 s LEU 73 N -3.80 3.24 0.00 2.53 1.43 -1.26 -4.82 118.68 115.99 2k39 s LEU 73 Ca 0.18 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 2k39 s LEU 73 Cb 0.05 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2k39 s LEU 73 CO 0.09 -1.00 0.00 -1.14 0.23 0.00 0.00 176.35 174.53 2k39 n ARG 74 N -2.64 0.00 0.00 1.70 0.63 -1.26 -4.76 116.66 110.33 2k39 n ARG 74 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2k39 n ARG 74 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k39 n GLY 75 N 0.00 0.39 0.00 5.14 0.00 -1.26 -4.31 105.19 105.15 2k39 n GLY 75 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93