#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 4.22 -0.08 3.17 -0.21 -1.26 -3.81 119.66 121.68 2k39 s GLN 2 Ca 0.00 0.88 -0.02 0.00 0.02 0.00 0.00 55.36 56.24 2k39 s GLN 2 Cb 0.00 -3.61 0.04 0.00 1.00 0.00 0.00 33.01 30.44 2k39 s GLN 2 CO 0.00 -0.40 0.03 0.96 -2.12 0.00 0.00 175.29 173.77 2k39 s ILE 3 N 2.41 0.17 -0.40 1.08 -4.36 -1.26 0.19 121.20 119.04 2k39 s ILE 3 Ca 0.34 0.13 -0.27 0.00 -0.26 0.00 0.00 60.65 60.60 2k39 s ILE 3 Cb -0.16 -0.46 0.02 0.00 1.25 0.00 0.00 42.46 43.12 2k39 s ILE 3 CO 0.10 0.13 0.98 -0.36 0.24 0.00 0.00 174.94 176.02 2k39 s PHE 4 N 2.05 3.01 -0.68 1.37 0.08 -0.53 -4.68 117.98 118.60 2k39 s PHE 4 Ca 0.04 0.72 -0.24 0.00 0.12 0.00 0.00 56.93 57.57 2k39 s PHE 4 Cb -0.13 -3.86 0.05 0.00 -0.57 0.00 0.00 43.02 38.52 2k39 s PHE 4 CO -0.05 -0.95 1.07 0.08 -0.10 0.00 0.00 175.22 175.27 2k39 s VAL 5 N 3.72 4.12 -0.27 -0.44 1.01 -1.05 -1.05 120.40 126.44 2k39 s VAL 5 Ca 0.40 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 2k39 s VAL 5 Cb -0.11 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.48 2k39 s VAL 5 CO 0.22 -1.57 0.13 -0.75 0.00 0.00 0.00 175.10 173.13 2k39 s LYS 6 N 4.64 3.74 0.30 2.72 2.20 0.24 -1.07 119.74 132.51 2k39 s LYS 6 Ca 0.27 -0.44 -0.24 0.00 -0.36 0.00 0.00 55.97 55.20 2k39 s LYS 6 Cb -0.13 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 2k39 s LYS 6 CO 0.13 -0.21 0.88 0.99 -0.36 0.00 0.00 175.35 176.78 2k39 s THR 7 N 1.67 4.31 0.24 3.43 2.01 -0.57 -0.34 115.64 126.39 2k39 s THR 7 Ca 0.06 1.67 -0.09 0.00 0.31 0.00 0.00 61.69 63.64 2k39 s THR 7 Cb -0.16 -3.96 0.36 0.00 0.01 0.00 0.00 72.50 68.75 2k39 s THR 7 CO 0.07 0.14 1.39 -0.11 -0.69 0.00 0.00 174.62 175.42 2k39 n LEU 8 N 0.56 -0.39 0.02 4.42 -0.00 -1.05 -0.79 117.00 119.78 2k39 n LEU 8 Ca 0.01 1.54 0.02 0.00 -0.00 0.00 0.00 56.01 57.58 2k39 n LEU 8 Cb 0.50 -0.43 0.12 0.00 -0.00 0.00 0.00 43.42 43.61 2k39 n LEU 8 CO 0.44 -1.45 0.58 0.35 -0.00 0.00 0.00 177.39 177.31 2k39 n THR 9 N -5.41 1.71 0.00 1.96 -2.24 -1.26 -4.88 114.28 104.16 2k39 n THR 9 Ca 0.13 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.38 2k39 n THR 9 Cb 0.42 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 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 -1.17 2.27 3.68 3.38 0.00 0.03 -5.09 105.19 108.29 2k39 n GLY 10 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.26 4.16 -0.27 1.61 2.20 -1.25 -4.80 119.74 121.14 2k39 s LYS 11 Ca 0.00 2.47 -0.02 0.00 -0.36 0.00 0.00 55.97 58.06 2k39 s LYS 11 Cb 0.00 -3.81 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 2k39 s LYS 11 CO 0.00 -0.84 -0.03 0.99 -0.36 0.00 0.00 175.35 175.10 2k39 s THR 12 N 3.36 2.95 0.20 3.43 2.01 -1.26 -1.51 115.64 124.82 2k39 s THR 12 Ca 0.80 -1.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 2k39 s THR 12 Cb -0.41 -2.57 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 2k39 s THR 12 CO 0.36 0.08 0.56 -0.63 -0.69 0.00 0.00 174.62 174.29 2k39 s ILE 13 N 1.30 4.89 -0.29 1.82 1.01 -0.24 -4.98 121.20 124.72 2k39 s ILE 13 Ca -0.02 0.63 0.04 0.00 0.00 0.00 0.00 60.65 61.30 2k39 s ILE 13 Cb -0.18 -3.66 0.18 0.00 0.01 0.00 0.00 42.46 38.81 2k39 s ILE 13 CO -0.03 0.05 0.48 0.28 0.00 0.00 0.00 174.94 175.72 2k39 s THR 14 N -1.68 -0.78 -0.03 2.92 -1.32 -1.26 -2.52 115.64 110.96 2k39 s THR 14 Ca 0.44 -0.18 -0.01 0.00 -1.21 0.00 0.00 61.69 60.73 2k39 s THR 14 Cb -0.13 -0.99 0.03 0.00 -1.51 0.00 0.00 72.50 69.90 2k39 s THR 14 CO 0.20 -0.17 0.06 -0.22 -2.21 0.00 0.00 174.62 172.28 2k39 s LEU 15 N 2.65 0.81 -0.69 9.08 2.96 -1.26 -5.08 118.68 127.15 2k39 s LEU 15 Ca 0.10 0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 53.85 2k39 s LEU 15 Cb -0.11 0.01 -0.12 0.00 0.50 0.00 0.00 46.19 46.47 2k39 s LEU 15 CO -0.29 -0.16 2.42 -0.62 -1.32 0.00 0.00 176.35 176.39 2k39 n GLU 16 N 4.42 0.73 -4.49 1.98 4.71 -1.26 -4.74 120.64 121.98 2k39 n GLU 16 Ca -0.23 -0.55 -0.23 0.00 -0.01 0.00 0.00 57.16 56.14 2k39 n GLU 16 Cb 0.50 -3.59 -0.11 0.00 -1.01 0.00 0.00 31.44 27.23 2k39 n GLU 16 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2k39 s VAL 17 N 13.87 1.42 0.07 2.62 -7.23 -1.25 -4.94 120.40 124.96 2k39 s VAL 17 Ca 0.95 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2k39 s VAL 17 Cb -0.15 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 2k39 s VAL 17 CO 0.15 -0.01 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.27 2k39 s GLU 18 N -3.84 0.68 0.00 4.82 0.41 -1.26 0.12 118.70 119.62 2k39 s GLU 18 Ca 0.36 -1.20 0.29 0.00 -0.41 0.00 0.00 54.97 54.01 2k39 s GLU 18 Cb 0.09 0.02 1.29 0.00 -1.78 0.00 0.00 34.13 33.75 2k39 s GLU 18 CO 0.16 -0.06 1.95 -0.35 -0.49 0.00 0.00 175.26 176.47 2k39 n PRO 19 N 0.21 0.10 -0.11 0.39 -0.04 -1.26 -2.91 135.00 131.37 2k39 n PRO 19 Ca -0.14 -0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 2k39 n PRO 19 Cb 0.60 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.88 2k39 n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k39 n SER 20 N -1.45 2.19 -4.73 3.54 2.88 -1.26 -1.79 113.62 113.00 2k39 n SER 20 Ca 0.09 -1.80 -0.41 0.00 -1.33 0.00 0.00 58.87 55.42 2k39 n SER 20 Cb 0.32 -0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k39 s ASP 21 N -1.56 7.10 0.62 -3.46 1.01 -1.15 -4.80 116.67 114.44 2k39 s ASP 21 Ca 0.34 2.19 -0.13 0.00 0.71 0.00 0.00 52.55 55.65 2k39 s ASP 21 Cb 0.19 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 2k39 s ASP 21 CO 0.28 -0.38 1.04 0.42 0.21 0.00 0.00 175.17 176.74 2k39 s THR 22 N 0.13 4.14 0.40 -1.27 -4.23 -1.26 -2.45 115.64 111.08 2k39 s THR 22 Ca 0.54 0.85 0.11 0.00 -1.18 0.00 0.00 61.69 62.01 2k39 s THR 22 Cb -0.32 -3.51 0.16 0.00 1.34 0.00 0.00 72.50 70.16 2k39 s THR 22 CO 0.35 -0.75 1.92 0.40 -0.54 0.00 0.00 174.62 176.00 2k39 h ILE 23 N 0.01 1.18 0.13 2.99 1.08 -1.82 -0.38 117.51 120.70 2k39 h ILE 23 Ca -0.45 -0.80 -0.30 0.00 -0.39 0.00 0.00 64.86 62.91 2k39 h ILE 23 Cb 1.21 1.28 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 2k39 h ILE 23 CO 0.58 0.24 -1.46 -0.33 -0.69 0.00 0.00 178.15 176.50 2k39 h GLU 24 N 0.16 0.27 -0.48 2.37 4.39 -1.94 -0.14 114.58 119.22 2k39 h GLU 24 Ca 0.03 -0.47 0.09 0.00 0.34 0.00 0.00 59.36 59.36 2k39 h GLU 24 Cb 0.40 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 29.14 2k39 h GLU 24 CO 0.03 1.16 -0.03 -0.97 -1.16 0.00 0.00 179.01 178.04 2k39 h ASN 25 N 0.07 -0.26 -0.55 1.42 -0.73 -1.91 0.29 115.58 113.93 2k39 h ASN 25 Ca -0.22 0.12 -0.11 0.00 1.87 0.00 0.00 56.30 57.97 2k39 h ASN 25 Cb 2.02 0.22 -0.02 0.00 0.27 0.00 0.00 38.32 40.81 2k39 h ASN 25 CO 0.18 -0.09 -0.07 0.58 -0.37 0.00 0.00 177.43 177.66 2k39 h VAL 26 N 0.09 1.27 -0.44 2.57 2.07 -0.94 -3.19 116.25 117.67 2k39 h VAL 26 Ca 0.24 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 2k39 h VAL 26 Cb 0.36 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2k39 h VAL 26 CO -0.42 0.43 0.00 0.11 0.02 0.00 0.00 177.57 177.72 2k39 h LYS 27 N 0.89 0.72 0.00 1.57 1.57 -0.53 -2.59 116.57 118.20 2k39 h LYS 27 Ca 0.15 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k39 h LYS 27 Cb 0.63 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2k39 h LYS 27 CO 0.04 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 2k39 n ALA 28 N -2.47 1.61 0.07 3.86 0.00 0.99 -1.56 120.51 123.00 2k39 n ALA 28 Ca 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 2k39 n ALA 28 Cb 0.28 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 2k39 n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k39 h LYS 29 N 0.00 0.00 0.00 0.00 1.57 -1.54 -3.38 116.57 113.22 2k39 h LYS 29 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k39 h LYS 29 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2k39 h LYS 29 CO 0.00 0.66 -0.24 0.82 -0.57 0.00 0.00 179.45 180.12 2k39 h ILE 30 N 0.00 0.00 0.00 1.86 2.04 -1.40 -2.88 117.51 117.13 2k39 h ILE 30 Ca -0.07 -0.86 -0.18 0.00 1.00 0.00 0.00 64.86 64.74 2k39 h ILE 30 Cb 1.66 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 39.45 2k39 h ILE 30 CO 0.09 0.00 -0.87 -0.61 0.00 0.00 0.00 178.15 176.76 2k39 h GLN 31 N 0.00 0.01 0.34 2.37 4.15 -1.62 0.28 115.11 120.64 2k39 h GLN 31 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2k39 h GLN 31 Cb 0.93 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2k39 h GLN 31 CO 0.00 0.87 -0.17 0.22 -1.93 0.00 0.00 178.83 177.83 2k39 h ASP 32 N 0.00 -0.39 0.99 -0.69 3.58 -1.76 -3.19 116.42 114.95 2k39 h ASP 32 Ca -0.01 -0.13 -0.20 0.00 0.42 0.00 0.00 57.03 57.11 2k39 h ASP 32 Cb 1.53 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.65 2k39 h ASP 32 CO 0.11 0.06 -1.06 0.11 -2.88 0.00 0.00 179.24 175.59 2k39 h LYS 33 N -1.01 0.00 -0.00 0.28 1.57 -1.51 -3.27 116.57 112.63 2k39 h LYS 33 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k39 h LYS 33 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2k39 h LYS 33 CO 0.08 0.74 -0.05 0.39 -0.57 0.00 0.00 179.45 180.04 2k39 n GLU 34 N -3.23 3.54 -0.75 3.15 -0.58 0.91 -5.03 120.64 118.65 2k39 n GLU 34 Ca -0.03 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 2k39 n GLU 34 Cb 0.91 -0.77 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 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 0.67 0.52 3.76 0.62 0.00 -0.76 -4.96 105.19 105.04 2k39 n GLY 35 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.53 4.35 0.64 -0.61 -1.09 -1.22 -4.88 121.20 115.87 2k39 s ILE 36 Ca 0.00 1.82 -0.06 0.00 -2.23 0.00 0.00 60.65 60.18 2k39 s ILE 36 Cb 0.00 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.71 2k39 s ILE 36 CO 0.00 0.48 0.95 -2.16 -1.23 0.00 0.00 174.94 172.98 2k39 s PRO 37 N -0.93 2.58 0.33 2.79 0.04 -1.26 -3.26 135.00 135.29 2k39 s PRO 37 Ca 0.38 -0.14 0.20 0.00 0.04 0.00 0.00 61.00 61.48 2k39 s PRO 37 Cb -0.24 -2.23 0.17 0.00 0.04 0.00 0.00 34.50 32.24 2k39 s PRO 37 CO 0.28 -0.95 1.43 -1.00 0.04 0.00 0.00 177.00 176.79 2k39 h PRO 38 N -0.36 0.00 -0.29 0.56 0.13 -1.95 -3.32 132.00 126.76 2k39 h PRO 38 Ca -0.45 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2k39 h PRO 38 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2k39 h PRO 38 CO 0.60 0.19 -0.05 0.22 -0.23 0.00 0.00 178.00 178.74 2k39 h ASP 39 N 0.00 -0.22 1.67 1.44 1.82 -2.02 -2.04 116.42 117.07 2k39 h ASP 39 Ca -0.01 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 2k39 h ASP 39 Cb 1.18 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.34 2k39 h ASP 39 CO 0.03 -0.07 -0.21 1.56 -1.61 0.00 0.00 179.24 178.93 2k39 h GLN 40 N 0.03 0.00 -6.83 0.28 1.08 -1.97 -3.49 115.11 104.20 2k39 h GLN 40 Ca 0.14 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.85 2k39 h GLN 40 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2k39 h GLN 40 CO -0.28 0.21 0.11 -1.14 -0.95 0.00 0.00 178.83 176.78 2k39 s GLN 41 N -3.17 3.79 -0.17 1.46 0.74 -0.77 -1.17 119.66 120.37 2k39 s GLN 41 Ca 0.05 0.48 -0.17 0.00 0.05 0.00 0.00 55.36 55.77 2k39 s GLN 41 Cb 0.07 -2.40 0.05 0.00 1.10 0.00 0.00 33.01 31.83 2k39 s GLN 41 CO 0.69 -0.02 0.48 0.50 -0.55 0.00 0.00 175.29 176.39 2k39 s ARG 42 N -3.79 0.57 -0.07 1.67 3.52 -0.46 -4.95 118.95 115.44 2k39 s ARG 42 Ca 0.51 0.64 0.04 0.00 -0.13 0.00 0.00 55.73 56.79 2k39 s ARG 42 Cb -0.10 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2k39 s ARG 42 CO 0.30 -0.07 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.03 2k39 s LEU 43 N 0.19 1.87 -0.19 -0.88 1.43 -1.26 -1.87 118.68 117.97 2k39 s LEU 43 Ca -0.01 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2k39 s LEU 43 Cb -0.03 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.14 2k39 s LEU 43 CO 0.01 0.12 -0.15 -0.63 0.23 0.00 0.00 176.35 175.92 2k39 s ILE 44 N 0.33 2.46 -0.18 -0.59 1.09 -0.78 -2.26 121.20 121.28 2k39 s ILE 44 Ca -0.12 -0.81 0.01 0.00 -1.10 0.00 0.00 60.65 58.63 2k39 s ILE 44 Cb -0.15 -2.06 0.02 0.00 -1.06 0.00 0.00 42.46 39.21 2k39 s ILE 44 CO 0.05 0.51 -0.19 0.12 -0.10 0.00 0.00 174.94 175.32 2k39 s PHE 45 N 1.28 2.69 -1.64 3.97 2.19 -0.77 -0.45 117.98 125.24 2k39 s PHE 45 Ca 0.04 -1.59 0.00 0.00 0.33 0.00 0.00 56.93 55.70 2k39 s PHE 45 Cb -0.14 -1.87 0.00 0.00 -1.31 0.00 0.00 43.02 39.70 2k39 s PHE 45 CO -0.09 -0.79 0.00 0.00 1.83 0.00 0.00 175.22 176.17 2k39 n ALA 46 N 4.64 -0.49 0.00 11.12 0.00 -1.26 -1.13 120.51 133.39 2k39 n ALA 46 Ca -0.20 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k39 n ALA 46 Cb 0.50 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.65 2.24 3.56 0.00 0.00 -1.26 -5.04 105.19 104.03 2k39 n GLY 47 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.66 3.60 0.27 1.61 1.02 -0.28 -5.03 119.74 120.26 2k39 s LYS 48 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 2k39 s LYS 48 Cb 0.00 -3.84 -0.10 0.00 -0.52 0.00 0.00 37.83 33.37 2k39 s LYS 48 CO 0.00 -0.79 1.37 1.14 -0.92 0.00 0.00 175.35 176.15 2k39 s GLN 49 N 2.72 4.32 0.05 1.68 1.03 -1.26 -1.85 119.66 126.35 2k39 s GLN 49 Ca 0.24 2.22 -0.25 0.00 0.04 0.00 0.00 55.36 57.61 2k39 s GLN 49 Cb -0.14 -3.11 -0.06 0.00 0.03 0.00 0.00 33.01 29.73 2k39 s GLN 49 CO 0.16 -0.30 0.76 -0.51 -2.54 0.00 0.00 175.29 172.85 2k39 s LEU 50 N -0.84 4.46 0.37 2.60 1.02 -0.96 -4.98 118.68 120.36 2k39 s LEU 50 Ca 0.55 1.44 -0.03 0.00 0.02 0.00 0.00 54.13 56.11 2k39 s LEU 50 Cb -0.40 -3.21 -0.04 0.00 0.02 0.00 0.00 46.19 42.55 2k39 s LEU 50 CO 0.46 0.03 0.63 -1.61 0.02 0.00 0.00 176.35 175.88 2k39 s GLU 51 N -0.14 3.56 0.62 1.70 2.02 -1.26 -4.82 118.70 120.38 2k39 s GLU 51 Ca 0.38 -0.04 -0.15 0.00 0.02 0.00 0.00 54.97 55.18 2k39 s GLU 51 Cb -0.20 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 2k39 s GLU 51 CO 0.23 0.05 1.07 0.34 0.02 0.00 0.00 175.26 176.97 2k39 s ASP 52 N -3.77 5.59 0.00 -0.19 -1.08 -1.26 -4.23 116.67 111.73 2k39 s ASP 52 Ca 0.44 1.85 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 2k39 s ASP 52 Cb -0.10 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2k39 s ASP 52 CO 0.37 -1.30 0.00 0.61 0.52 0.00 0.00 175.17 175.37 2k39 n GLY 53 N -0.93 2.31 3.93 2.66 0.00 -1.26 -5.03 105.19 106.88 2k39 n GLY 53 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.66 3.40 0.66 1.61 1.81 -1.26 -4.92 118.95 119.59 2k39 s ARG 54 Ca 0.00 -0.15 -0.07 0.00 -1.72 0.00 0.00 55.73 53.79 2k39 s ARG 54 Cb 0.00 -2.52 0.03 0.00 -0.45 0.00 0.00 34.95 32.01 2k39 s ARG 54 CO 0.00 -0.09 0.98 0.95 -0.68 0.00 0.00 175.30 176.46 2k39 s THR 55 N -2.55 3.08 0.23 0.02 -4.23 -1.26 -2.49 115.64 108.44 2k39 s THR 55 Ca 0.45 -0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.85 2k39 s THR 55 Cb -0.10 -3.28 0.20 0.00 1.34 0.00 0.00 72.50 70.66 2k39 s THR 55 CO 0.40 -0.31 1.90 -0.07 -0.54 0.00 0.00 174.62 176.01 2k39 h LEU 56 N -0.43 1.00 -2.05 4.79 3.38 -1.35 -3.09 115.31 117.56 2k39 h LEU 56 Ca -0.45 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.56 2k39 h LEU 56 Cb 1.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2k39 h LEU 56 CO 0.61 0.72 0.36 -1.28 0.09 0.00 0.00 178.44 178.94 2k39 h SER 57 N 1.18 0.00 1.29 -0.43 0.87 -1.61 -2.14 113.55 112.71 2k39 h SER 57 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2k39 h SER 57 Cb -0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2k39 h SER 57 CO -0.07 0.00 0.00 0.44 -0.53 0.00 0.00 176.83 176.67 2k39 h ASP 58 N 0.00 0.00 -0.37 6.23 3.32 -1.84 -2.36 116.42 121.40 2k39 h ASP 58 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2k39 h ASP 58 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 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 -2.79 0.48 -2.39 4.55 4.02 -0.81 -4.98 117.16 115.24 2k39 n TYR 59 Ca 0.03 -0.29 -0.07 0.00 -0.01 0.00 0.00 57.90 57.55 2k39 n TYR 59 Cb 0.37 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 39.69 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2k39 n ASN 60 N 1.23 -2.87 -4.79 7.72 5.15 -0.89 -5.01 115.26 115.80 2k39 n ASN 60 Ca 0.17 -0.07 -0.38 0.00 -0.60 0.00 0.00 54.58 53.70 2k39 n ASN 60 Cb 0.54 -1.91 -0.06 0.00 -0.53 0.00 0.00 39.78 37.82 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 -2.62 4.93 0.35 -1.44 1.01 -1.17 -5.02 121.20 117.25 2k39 s ILE 61 Ca 0.07 1.09 0.03 0.00 0.00 0.00 0.00 60.65 61.84 2k39 s ILE 61 Cb -0.03 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2k39 s ILE 61 CO 0.09 0.48 0.11 -1.10 0.00 0.00 0.00 174.94 174.52 2k39 s GLN 62 N -0.55 1.74 0.02 2.79 -1.52 -1.26 -4.63 119.66 116.24 2k39 s GLN 62 Ca 0.28 -2.01 -0.32 0.00 -1.95 0.00 0.00 55.36 51.36 2k39 s GLN 62 Cb -0.18 -0.58 -0.10 0.00 -0.22 0.00 0.00 33.01 31.93 2k39 s GLN 62 CO 0.16 -0.36 1.91 1.17 -0.25 0.00 0.00 175.29 177.92 2k39 n LYS 63 N -0.74 2.63 -2.83 2.91 4.81 -1.26 -2.68 118.16 120.99 2k39 n LYS 63 Ca -0.03 0.96 -0.20 0.00 -0.87 0.00 0.00 58.31 58.17 2k39 n LYS 63 Cb 0.66 -2.87 0.02 0.00 0.02 0.00 0.00 35.03 32.86 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k39 n GLU 64 N 6.82 -3.90 -2.44 1.64 1.02 0.13 -5.00 120.64 118.91 2k39 n GLU 64 Ca 0.20 0.87 -0.30 0.00 -0.02 0.00 0.00 57.16 57.91 2k39 n GLU 64 Cb 0.36 -5.56 -0.01 0.00 -0.02 0.00 0.00 31.44 26.21 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 -2.60 6.38 -0.04 1.62 0.01 -1.09 -4.92 113.70 113.06 2k39 s SER 65 Ca 0.22 1.22 0.04 0.00 1.31 0.00 0.00 55.95 58.75 2k39 s SER 65 Cb -0.10 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 63.76 2k39 s SER 65 CO 0.27 -0.62 -0.17 -0.89 0.41 0.00 0.00 173.24 172.25 2k39 s THR 66 N -2.75 1.39 -0.04 1.44 2.01 -1.26 -1.45 115.64 114.98 2k39 s THR 66 Ca 0.52 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 2k39 s THR 66 Cb -0.10 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2k39 s THR 66 CO 0.42 0.40 0.21 -0.76 -0.69 0.00 0.00 174.62 174.20 2k39 s LEU 67 N 0.04 4.38 0.49 4.42 1.02 -0.22 -4.78 118.68 124.03 2k39 s LEU 67 Ca -0.03 0.50 -0.21 0.00 0.02 0.00 0.00 54.13 54.41 2k39 s LEU 67 Cb -0.11 -2.45 -0.08 0.00 0.02 0.00 0.00 46.19 43.58 2k39 s LEU 67 CO 0.02 0.31 1.09 -2.28 0.02 0.00 0.00 176.35 175.51 2k39 s HIS 68 N -1.20 2.91 -0.04 0.29 5.65 0.40 -0.59 115.29 122.71 2k39 s HIS 68 Ca 0.23 1.57 0.01 0.00 0.25 0.00 0.00 55.06 57.12 2k39 s HIS 68 Cb -0.13 -3.20 0.02 0.00 -1.18 0.00 0.00 32.58 28.09 2k39 s HIS 68 CO 0.12 -1.16 -0.04 -1.17 -0.65 0.00 0.00 174.74 171.85 2k39 s LEU 69 N -3.40 1.39 0.08 8.88 0.20 0.53 -1.87 118.68 124.51 2k39 s LEU 69 Ca 0.67 -0.10 0.04 0.00 0.69 0.00 0.00 54.13 55.43 2k39 s LEU 69 Cb -0.22 -0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 45.13 2k39 s LEU 69 CO 0.26 -0.04 -0.11 0.68 -0.29 0.00 0.00 176.35 176.84 2k39 s VAL 70 N 0.78 0.97 -0.14 1.68 -7.23 -0.78 -2.52 120.40 113.16 2k39 s VAL 70 Ca -0.10 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2k39 s VAL 70 Cb -0.13 -1.16 0.02 0.00 0.56 0.00 0.00 36.38 35.67 2k39 s VAL 70 CO -0.00 -0.41 -0.15 -1.48 -0.31 0.00 0.00 175.10 172.76 2k39 s LEU 71 N -2.07 1.71 0.00 1.32 2.34 -1.26 -1.35 118.68 119.36 2k39 s LEU 71 Ca 0.01 -0.48 0.00 0.00 0.06 0.00 0.00 54.13 53.71 2k39 s LEU 71 Cb -0.07 -1.18 0.00 0.00 -0.56 0.00 0.00 46.19 44.39 2k39 s LEU 71 CO 0.01 -0.04 0.00 -1.14 -1.06 0.00 0.00 176.35 174.12 2k39 n ARG 72 N 4.67 0.00 -4.04 1.48 0.63 -0.31 -5.01 116.66 114.08 2k39 n ARG 72 Ca -0.17 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.68 2k39 n ARG 72 Cb 0.50 -0.50 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2k39 s LEU 73 N 0.00 2.36 -0.86 6.15 0.05 -1.26 -5.10 118.68 120.02 2k39 s LEU 73 Ca 0.00 -0.79 0.01 0.00 0.05 0.00 0.00 54.13 53.40 2k39 s LEU 73 Cb 0.00 0.18 0.31 0.00 -2.05 0.00 0.00 46.19 44.63 2k39 s LEU 73 CO 0.00 -0.48 1.33 -1.14 -0.55 0.00 0.00 176.35 175.50 2k39 n ARG 74 N 0.69 4.13 -4.41 1.48 0.63 -1.26 -4.96 116.66 112.96 2k39 n ARG 74 Ca -0.18 -4.69 -0.25 0.00 -0.92 0.00 0.00 57.85 51.81 2k39 n ARG 74 Cb 0.59 -2.39 -0.17 0.00 0.45 0.00 0.00 32.46 30.94 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 -2.19 0.78 0.00 5.14 0.00 -1.26 -5.24 107.32 104.55 2k39 s GLY 75 Ca 0.40 -0.42 0.02 0.00 0.00 0.00 0.00 44.72 44.72 2k39 s GLY 75 CO -0.05 0.28 0.57 0.61 0.00 0.00 0.00 173.10 174.52