#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 4.03 0.29 3.17 0.00 -1.26 -2.40 119.66 123.49 2k39 s GLN 2 Ca 0.00 1.79 -0.03 0.00 -0.00 0.00 0.00 55.36 57.12 2k39 s GLN 2 Cb 0.00 -2.63 -0.01 0.00 0.00 0.00 0.00 33.01 30.37 2k39 s GLN 2 CO 0.00 -0.32 0.38 0.96 0.00 0.00 0.00 175.29 176.31 2k39 s ILE 3 N -1.46 0.00 -0.15 3.63 -4.36 -0.83 -2.25 121.20 115.78 2k39 s ILE 3 Ca 0.58 -1.69 -0.00 0.00 -0.26 0.00 0.00 60.65 59.27 2k39 s ILE 3 Cb -0.29 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 40.95 2k39 s ILE 3 CO 0.37 0.00 -0.07 -0.36 0.24 0.00 0.00 174.94 175.11 2k39 s PHE 4 N -3.54 1.74 -0.32 1.37 0.08 -1.11 -2.52 117.98 113.68 2k39 s PHE 4 Ca 0.32 -1.02 -0.27 0.00 0.12 0.00 0.00 56.93 56.07 2k39 s PHE 4 Cb 0.01 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 2k39 s PHE 4 CO 0.17 -0.60 0.98 0.08 -0.10 0.00 0.00 175.22 175.75 2k39 s VAL 5 N 1.62 4.60 0.09 -0.44 1.01 -0.05 -1.07 120.40 126.16 2k39 s VAL 5 Ca 0.02 1.54 -0.08 0.00 0.00 0.00 0.00 61.98 63.47 2k39 s VAL 5 Cb -0.14 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 2k39 s VAL 5 CO -0.08 -0.41 0.38 -0.54 0.00 0.00 0.00 175.10 174.44 2k39 s LYS 6 N 3.42 3.69 0.32 2.72 1.02 0.47 0.49 119.74 131.87 2k39 s LYS 6 Ca 0.41 0.05 0.01 0.00 0.02 0.00 0.00 55.97 56.46 2k39 s LYS 6 Cb -0.13 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 2k39 s LYS 6 CO 0.14 0.54 0.51 0.95 -0.92 0.00 0.00 175.35 176.57 2k39 s THR 7 N -1.48 5.14 0.47 2.17 -4.23 -0.81 -0.75 115.64 116.15 2k39 s THR 7 Ca 0.35 -0.56 0.37 0.00 -1.18 0.00 0.00 61.69 60.67 2k39 s THR 7 Cb -0.13 -3.86 0.40 0.00 1.34 0.00 0.00 72.50 70.25 2k39 s THR 7 CO 0.20 -0.50 2.21 0.25 -0.54 0.00 0.00 174.62 176.24 2k39 h LEU 8 N 0.88 0.00 -0.48 4.79 5.85 -1.90 -2.40 115.31 122.05 2k39 h LEU 8 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2k39 h LEU 8 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2k39 h LEU 8 CO 0.61 0.02 -0.53 0.35 -0.34 0.00 0.00 178.44 178.56 2k39 n THR 9 N -3.26 0.00 0.00 1.05 -2.24 -1.26 -4.99 114.28 103.58 2k39 n THR 9 Ca -0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2k39 n THR 9 Cb 0.16 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.43 1.31 3.66 3.38 0.00 -0.90 -5.07 105.19 108.99 2k39 n GLY 10 Ca 0.08 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 2k39 n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k39 n LYS 11 N 0.00 2.14 -3.80 1.61 4.81 -1.26 -4.69 118.16 116.98 2k39 n LYS 11 Ca 0.00 0.76 -0.36 0.00 -0.87 0.00 0.00 58.31 57.85 2k39 n LYS 11 Cb 0.00 -2.71 -0.08 0.00 0.02 0.00 0.00 35.03 32.26 2k39 n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2k39 s THR 12 N 4.70 5.38 -0.15 3.15 2.01 -1.26 -1.92 115.64 127.55 2k39 s THR 12 Ca 0.94 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 2k39 s THR 12 Cb -0.66 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2k39 s THR 12 CO 0.50 0.49 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.25 2k39 s ILE 13 N -0.04 3.90 0.22 1.82 -1.09 0.18 -4.99 121.20 121.20 2k39 s ILE 13 Ca 0.10 -0.36 -0.20 0.00 -2.23 0.00 0.00 60.65 57.95 2k39 s ILE 13 Cb -0.11 -2.70 -0.08 0.00 -1.58 0.00 0.00 42.46 37.98 2k39 s ILE 13 CO -0.00 0.50 0.74 -0.89 -1.23 0.00 0.00 174.94 174.05 2k39 s THR 14 N 0.30 4.54 0.05 2.92 2.01 -1.26 -0.88 115.64 123.32 2k39 s THR 14 Ca -0.04 1.34 0.02 0.00 0.31 0.00 0.00 61.69 63.32 2k39 s THR 14 Cb -0.14 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2k39 s THR 14 CO 0.03 0.23 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.36 2k39 s LEU 15 N -1.90 2.29 -0.22 4.42 1.43 -1.05 -4.94 118.68 118.72 2k39 s LEU 15 Ca 0.43 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 2k39 s LEU 15 Cb -0.17 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 2k39 s LEU 15 CO 0.21 -0.26 0.09 -1.61 0.23 0.00 0.00 176.35 175.01 2k39 s GLU 16 N -1.93 3.91 0.24 1.70 0.41 -1.26 -1.97 118.70 119.80 2k39 s GLU 16 Ca -0.07 -0.36 0.01 0.00 -0.41 0.00 0.00 54.97 54.13 2k39 s GLU 16 Cb -0.07 -3.34 -0.04 0.00 -1.78 0.00 0.00 34.13 28.89 2k39 s GLU 16 CO -0.01 0.08 0.13 0.14 -0.49 0.00 0.00 175.26 175.12 2k39 s VAL 17 N 0.93 0.21 0.03 2.63 -7.23 -1.01 -4.95 120.40 111.00 2k39 s VAL 17 Ca 0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 2k39 s VAL 17 Cb -0.14 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2k39 s VAL 17 CO 0.03 0.00 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.07 2k39 s GLU 18 N -4.03 0.96 0.54 4.82 0.41 -1.26 0.10 118.70 120.25 2k39 s GLU 18 Ca 0.38 -0.68 0.22 0.00 -0.41 0.00 0.00 54.97 54.49 2k39 s GLU 18 Cb 0.07 -0.95 1.43 0.00 -1.78 0.00 0.00 34.13 32.90 2k39 s GLU 18 CO 0.14 0.24 2.10 -1.35 -0.49 0.00 0.00 175.26 175.91 2k39 h PRO 19 N 5.16 0.00 0.00 0.39 0.11 -1.95 -0.50 132.00 135.21 2k39 h PRO 19 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 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 0.45 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 2k39 n SER 20 N -4.29 0.00 -4.80 -2.05 3.41 -1.26 -1.99 113.62 102.64 2k39 n SER 20 Ca 0.02 -1.07 -0.34 0.00 -0.26 0.00 0.00 58.87 57.22 2k39 n SER 20 Cb 0.29 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.79 6.78 0.55 4.04 1.01 -0.20 -4.84 116.67 122.22 2k39 s ASP 21 Ca 0.31 1.83 -0.16 0.00 0.71 0.00 0.00 52.55 55.24 2k39 s ASP 21 Cb 0.14 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.45 2k39 s ASP 21 CO 0.24 -0.47 1.01 0.42 0.21 0.00 0.00 175.17 176.58 2k39 s THR 22 N -1.98 4.35 -0.10 -1.27 -4.23 -1.26 -2.51 115.64 108.63 2k39 s THR 22 Ca 0.62 1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 62.15 2k39 s THR 22 Cb -0.14 -3.64 -0.21 0.00 1.34 0.00 0.00 72.50 69.85 2k39 s THR 22 CO 0.18 -0.68 3.47 -0.38 -0.54 0.00 0.00 174.62 176.67 2k39 n ILE 23 N -1.83 3.08 0.10 2.99 2.08 0.17 -3.70 119.36 122.25 2k39 n ILE 23 Ca 0.07 -1.78 0.00 0.00 0.56 0.00 0.00 62.75 61.60 2k39 n ILE 23 Cb 0.54 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 2k39 n ILE 23 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2k39 n GLU 24 N 2.22 0.00 0.40 0.38 4.07 -1.26 -3.25 120.64 123.20 2k39 n GLU 24 Ca 0.44 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 57.36 2k39 n GLU 24 Cb 0.85 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 32.13 2k39 n GLU 24 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2k39 h ASN 25 N 0.00 -0.87 0.74 4.31 -0.73 -1.96 -3.18 115.58 113.88 2k39 h ASN 25 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2k39 h ASN 25 Cb 0.00 0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.82 2k39 h ASN 25 CO 0.00 -0.61 0.00 0.52 -0.37 0.00 0.00 177.43 176.97 2k39 n VAL 26 N -5.52 0.13 -0.34 2.57 0.31 -1.26 -2.93 118.33 111.28 2k39 n VAL 26 Ca -0.14 0.03 0.16 0.00 -0.01 0.00 0.00 64.34 64.38 2k39 n VAL 26 Cb 0.40 -0.57 0.36 0.00 -0.91 0.00 0.00 33.84 33.13 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 0.58 -0.70 5.55 1.57 -1.88 -1.40 116.57 120.30 2k39 h LYS 27 Ca 0.00 -0.03 0.20 0.00 -1.87 0.00 0.00 60.65 58.95 2k39 h LYS 27 Cb 0.37 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2k39 h LYS 27 CO 0.00 0.38 0.61 0.00 -0.57 0.00 0.00 179.45 179.87 2k39 h ALA 28 N 1.71 2.54 -0.01 3.86 0.00 -1.74 -1.84 119.26 123.77 2k39 h ALA 28 Ca 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2k39 h ALA 28 Cb 1.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k39 h ALA 28 CO -0.46 -0.97 -0.10 1.17 0.00 0.00 0.00 179.25 178.89 2k39 n LYS 29 N -3.93 1.24 0.01 0.00 4.81 -0.53 -1.22 118.16 118.54 2k39 n LYS 29 Ca 0.14 -0.67 -0.19 0.00 -0.87 0.00 0.00 58.31 56.72 2k39 n LYS 29 Cb 0.86 -1.49 -0.14 0.00 0.02 0.00 0.00 35.03 34.29 2k39 n LYS 29 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2k39 h ILE 30 N 1.64 0.71 -0.55 3.15 1.08 -1.48 -3.37 117.51 118.70 2k39 h ILE 30 Ca 0.00 -2.44 -0.03 0.00 -0.39 0.00 0.00 64.86 62.00 2k39 h ILE 30 Cb 0.46 2.52 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 2k39 h ILE 30 CO 0.00 0.81 0.23 -0.61 -0.69 0.00 0.00 178.15 177.89 2k39 h GLN 31 N 0.06 0.82 0.00 2.37 4.15 -1.13 -0.93 115.11 120.45 2k39 h GLN 31 Ca -0.38 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2k39 h GLN 31 Cb 2.03 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.59 2k39 h GLN 31 CO 0.10 0.70 0.11 0.22 -1.93 0.00 0.00 178.83 178.03 2k39 h ASP 32 N 0.75 0.00 0.00 -0.69 3.58 -1.34 -0.21 116.42 118.51 2k39 h ASP 32 Ca 0.18 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.43 2k39 h ASP 32 Cb 0.19 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2k39 h ASP 32 CO -0.02 0.00 -1.57 0.29 -2.88 0.00 0.00 179.24 175.07 2k39 n LYS 33 N -2.43 0.32 -0.00 0.28 5.02 -0.98 -4.82 118.16 115.55 2k39 n LYS 33 Ca -0.02 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.44 2k39 n LYS 33 Cb 0.15 -1.04 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k39 n GLU 34 N -3.77 0.64 0.00 1.97 -0.58 -0.39 -5.01 120.64 113.51 2k39 n GLU 34 Ca -0.25 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 2k39 n GLU 34 Cb 0.62 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 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 2.09 1.17 3.64 0.62 0.00 -0.09 -5.05 105.19 107.57 2k39 n GLY 35 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 5.04 0.75 -0.61 1.01 -1.26 -4.95 121.20 119.19 2k39 s ILE 36 Ca 0.00 1.03 -0.12 0.00 0.00 0.00 0.00 60.65 61.56 2k39 s ILE 36 Cb 0.00 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.63 2k39 s ILE 36 CO 0.00 0.09 1.11 -2.16 0.00 0.00 0.00 174.94 173.98 2k39 s PRO 37 N 2.14 2.30 0.24 2.79 0.04 -1.26 -3.56 135.00 137.69 2k39 s PRO 37 Ca 0.25 1.31 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 2k39 s PRO 37 Cb -0.16 -1.89 0.24 0.00 0.04 0.00 0.00 34.50 32.73 2k39 s PRO 37 CO 0.09 -1.63 1.91 -1.35 0.04 0.00 0.00 177.00 176.06 2k39 h PRO 38 N -0.79 1.29 -0.88 0.56 0.11 -1.95 -2.78 132.00 127.57 2k39 h PRO 38 Ca -0.45 -0.09 0.13 0.00 0.11 0.00 0.00 66.00 65.70 2k39 h PRO 38 Cb 1.24 -0.28 -0.14 0.00 0.11 0.00 0.00 31.00 31.93 2k39 h PRO 38 CO 0.51 0.88 -0.40 0.22 -0.21 0.00 0.00 178.00 178.99 2k39 h ASP 39 N 1.32 -1.46 1.31 -2.05 3.58 -1.98 -2.93 116.42 114.22 2k39 h ASP 39 Ca 0.35 0.29 0.00 0.00 0.42 0.00 0.00 57.03 58.09 2k39 h ASP 39 Cb -0.12 0.73 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2k39 h ASP 39 CO -0.07 -0.29 -0.02 1.67 -2.88 0.00 0.00 179.24 177.65 2k39 n GLN 40 N -5.44 0.18 -2.74 0.28 7.27 -1.05 -4.72 117.38 111.16 2k39 n GLN 40 Ca 0.07 0.14 -0.43 0.00 0.07 0.00 0.00 57.00 56.86 2k39 n GLN 40 Cb 0.37 -1.70 -0.04 0.00 2.41 0.00 0.00 30.24 31.29 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2k39 s GLN 41 N -3.07 3.42 -0.08 3.69 -0.21 -1.11 0.32 119.66 122.63 2k39 s GLN 41 Ca 0.12 -0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.49 2k39 s GLN 41 Cb 0.14 -4.02 -0.02 0.00 1.00 0.00 0.00 33.01 30.11 2k39 s GLN 41 CO 0.58 -1.52 -0.12 1.03 -2.12 0.00 0.00 175.29 173.13 2k39 s ARG 42 N 4.28 2.79 -0.04 2.91 1.81 -0.44 -4.95 118.95 125.32 2k39 s ARG 42 Ca 0.36 -0.66 0.01 0.00 -1.72 0.00 0.00 55.73 53.72 2k39 s ARG 42 Cb -0.10 -2.49 0.02 0.00 -0.45 0.00 0.00 34.95 31.92 2k39 s ARG 42 CO 0.22 0.52 -0.05 -0.48 -0.68 0.00 0.00 175.30 174.83 2k39 s LEU 43 N -0.45 1.46 -0.13 2.53 2.34 -1.26 -1.39 118.68 121.78 2k39 s LEU 43 Ca 0.06 -0.14 -0.02 0.00 0.06 0.00 0.00 54.13 54.08 2k39 s LEU 43 Cb -0.12 -0.46 -0.03 0.00 -0.56 0.00 0.00 46.19 45.02 2k39 s LEU 43 CO 0.02 -0.02 -0.05 -0.63 -1.06 0.00 0.00 176.35 174.60 2k39 s ILE 44 N 0.72 3.80 0.00 1.48 1.01 -0.35 0.05 121.20 127.91 2k39 s ILE 44 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2k39 s ILE 44 Cb -0.13 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.71 2k39 s ILE 44 CO 0.00 0.52 0.00 0.33 0.00 0.00 0.00 174.94 175.80 2k39 n PHE 45 N 3.23 0.00 -2.40 3.97 7.35 -1.24 -1.07 117.46 127.30 2k39 n PHE 45 Ca -0.18 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.15 2k39 n PHE 45 Cb 0.53 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.37 2k39 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k39 n ALA 46 N -2.08 5.90 0.00 3.13 0.00 -1.26 -4.72 120.51 121.48 2k39 n ALA 46 Ca 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 53.44 49.03 2k39 n ALA 46 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.32 0.37 3.06 0.00 0.00 -1.26 -5.04 105.19 102.00 2k39 n GLY 47 Ca 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.76 0.53 -0.30 1.61 2.20 -1.26 -5.01 119.74 116.74 2k39 s LYS 48 Ca 0.00 -1.00 -0.29 0.00 -0.36 0.00 0.00 55.97 54.32 2k39 s LYS 48 Cb 0.00 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 2k39 s LYS 48 CO 0.00 -0.07 1.19 -1.14 -0.36 0.00 0.00 175.35 174.96 2k39 s GLN 49 N -2.94 4.02 0.29 4.03 -0.44 -1.26 -3.65 119.66 119.72 2k39 s GLN 49 Ca -0.01 1.20 -0.30 0.00 -2.50 0.00 0.00 55.36 53.74 2k39 s GLN 49 Cb 0.01 -3.80 -0.12 0.00 -1.64 0.00 0.00 33.01 27.46 2k39 s GLN 49 CO -0.06 -0.97 1.55 1.28 0.50 0.00 0.00 175.29 177.59 2k39 n LEU 50 N 7.15 4.15 -4.80 3.68 4.77 0.11 -4.97 117.00 127.09 2k39 n LEU 50 Ca 0.13 1.15 -0.37 0.00 -0.03 0.00 0.00 56.01 56.90 2k39 n LEU 50 Cb 0.47 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 2k39 n LEU 50 CO 0.60 0.02 0.48 -0.70 -1.33 0.00 0.00 177.39 176.47 2k39 s GLU 51 N -0.64 4.38 0.16 3.23 2.12 -1.26 -4.62 118.70 122.07 2k39 s GLU 51 Ca 0.64 1.03 -0.30 0.00 0.36 0.00 0.00 54.97 56.69 2k39 s GLU 51 Cb -0.52 -2.92 -0.08 0.00 0.26 0.00 0.00 34.13 30.87 2k39 s GLU 51 CO 0.50 0.39 1.30 0.16 -0.54 0.00 0.00 175.26 177.07 2k39 s ASP 52 N -1.56 6.93 0.00 -1.70 -4.77 -1.26 -3.70 116.67 110.61 2k39 s ASP 52 Ca 0.44 2.31 0.00 0.00 -3.30 0.00 0.00 52.55 52.00 2k39 s ASP 52 Cb -0.18 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 2k39 s ASP 52 CO 0.22 -0.52 0.00 0.61 0.70 0.00 0.00 175.17 176.18 2k39 n GLY 53 N 2.71 1.86 3.77 2.12 0.00 -1.20 -5.02 105.19 109.43 2k39 n GLY 53 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.13 1.50 0.31 1.61 1.81 -1.24 -4.75 118.95 118.04 2k39 s ARG 54 Ca 0.00 0.55 0.06 0.00 -1.72 0.00 0.00 55.73 54.62 2k39 s ARG 54 Cb 0.00 -1.86 -0.02 0.00 -0.45 0.00 0.00 34.95 32.62 2k39 s ARG 54 CO 0.00 -2.01 0.41 0.95 -0.68 0.00 0.00 175.30 173.97 2k39 s THR 55 N -3.14 4.36 0.37 0.02 -4.23 -1.26 0.44 115.64 112.20 2k39 s THR 55 Ca 0.63 -1.05 0.13 0.00 -1.18 0.00 0.00 61.69 60.22 2k39 s THR 55 Cb -0.15 -3.51 0.35 0.00 1.34 0.00 0.00 72.50 70.52 2k39 s THR 55 CO 0.55 -0.21 1.82 -0.07 -0.54 0.00 0.00 174.62 176.16 2k39 h LEU 56 N 1.02 0.56 -0.05 4.79 3.38 -1.33 -2.66 115.31 121.03 2k39 h LEU 56 Ca -0.47 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k39 h LEU 56 Cb 1.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k39 h LEU 56 CO 0.56 0.21 0.00 -1.28 0.09 0.00 0.00 178.44 178.02 2k39 h SER 57 N 0.55 0.00 0.26 -0.43 0.87 -1.66 -0.74 113.55 112.41 2k39 h SER 57 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2k39 h SER 57 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2k39 h SER 57 CO -0.26 0.00 0.00 0.44 -0.53 0.00 0.00 176.83 176.48 2k39 h ASP 58 N 0.00 0.00 -0.05 6.23 3.32 -1.78 -2.92 116.42 121.21 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 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 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 -2.66 0.07 -2.60 4.55 4.01 -1.07 -5.01 117.16 114.45 2k39 n TYR 59 Ca -0.01 -0.36 -0.19 0.00 -0.16 0.00 0.00 57.90 57.18 2k39 n TYR 59 Cb 0.11 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.17 -5.35 -4.72 7.72 3.02 -1.00 -4.95 115.26 109.81 2k39 n ASN 60 Ca 0.02 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 2k39 n ASN 60 Cb 0.22 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.04 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 -2.99 4.02 0.27 2.41 1.01 -0.32 -4.98 121.20 120.63 2k39 s ILE 61 Ca 0.12 1.54 0.05 0.00 0.00 0.00 0.00 60.65 62.36 2k39 s ILE 61 Cb -0.05 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 2k39 s ILE 61 CO 0.15 0.17 -0.03 -1.10 0.00 0.00 0.00 174.94 174.13 2k39 s GLN 62 N 0.56 1.51 0.22 2.79 -0.21 -1.26 -4.61 119.66 118.66 2k39 s GLN 62 Ca 0.55 -1.78 -0.30 0.00 0.02 0.00 0.00 55.36 53.85 2k39 s GLN 62 Cb -0.29 -0.98 -0.15 0.00 1.00 0.00 0.00 33.01 32.58 2k39 s GLN 62 CO 0.31 -0.03 1.03 0.36 -2.12 0.00 0.00 175.29 174.84 2k39 n LYS 63 N -0.56 1.10 -0.77 2.91 2.85 -1.26 -3.41 118.16 119.02 2k39 n LYS 63 Ca -0.05 0.39 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 2k39 n LYS 63 Cb 0.64 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 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 1.24 0.00 -2.97 -1.58 4.07 -0.96 -5.03 120.64 115.42 2k39 n GLU 64 Ca 0.13 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.86 2k39 n GLU 64 Cb 0.27 -2.08 -0.06 0.00 -0.06 0.00 0.00 31.44 29.52 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2k39 s SER 65 N -2.58 7.26 -0.18 4.31 0.01 -1.22 -4.91 113.70 116.39 2k39 s SER 65 Ca 0.00 1.62 -0.13 0.00 1.31 0.00 0.00 55.95 58.75 2k39 s SER 65 Cb 0.00 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2k39 s SER 65 CO 0.00 0.08 0.25 -0.89 0.41 0.00 0.00 173.24 173.09 2k39 s THR 66 N -1.40 5.33 0.02 1.44 2.01 -1.26 -2.76 115.64 119.02 2k39 s THR 66 Ca 0.42 0.44 0.05 0.00 0.31 0.00 0.00 61.69 62.91 2k39 s THR 66 Cb -0.20 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2k39 s THR 66 CO 0.24 0.39 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.66 2k39 s LEU 67 N 0.52 2.11 -0.36 4.42 1.02 -0.23 -4.94 118.68 121.21 2k39 s LEU 67 Ca 0.14 -0.37 -0.01 0.00 0.02 0.00 0.00 54.13 53.91 2k39 s LEU 67 Cb -0.13 -0.66 0.09 0.00 0.02 0.00 0.00 46.19 45.52 2k39 s LEU 67 CO 0.02 0.10 0.11 -2.28 0.02 0.00 0.00 176.35 174.33 2k39 s HIS 68 N -0.61 3.54 0.40 0.29 2.46 -0.23 -0.39 115.29 120.75 2k39 s HIS 68 Ca 0.03 -2.40 -0.25 0.00 0.47 0.00 0.00 55.06 52.91 2k39 s HIS 68 Cb -0.07 -2.86 -0.08 0.00 -0.13 0.00 0.00 32.58 29.44 2k39 s HIS 68 CO 0.00 -0.92 1.15 -1.17 -2.47 0.00 0.00 174.74 171.33 2k39 s LEU 69 N 1.12 4.18 0.05 8.88 2.96 0.07 -1.21 118.68 134.72 2k39 s LEU 69 Ca 0.05 2.30 -0.08 0.00 -0.22 0.00 0.00 54.13 56.18 2k39 s LEU 69 Cb -0.21 -4.05 -0.00 0.00 0.50 0.00 0.00 46.19 42.42 2k39 s LEU 69 CO -0.04 -0.67 0.16 0.68 -1.32 0.00 0.00 176.35 175.16 2k39 s VAL 70 N -1.45 0.13 -0.19 1.68 -7.23 -0.48 -3.57 120.40 109.29 2k39 s VAL 70 Ca 0.58 -1.04 -0.05 0.00 -1.81 0.00 0.00 61.98 59.65 2k39 s VAL 70 Cb -0.29 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2k39 s VAL 70 CO 0.37 -0.58 -0.00 -0.76 -0.31 0.00 0.00 175.10 173.82 2k39 s LEU 71 N -2.32 3.33 0.00 1.32 1.43 -1.26 -1.33 118.68 119.85 2k39 s LEU 71 Ca -0.02 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2k39 s LEU 71 Cb 0.01 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2k39 s LEU 71 CO -0.06 0.11 0.00 -1.14 0.23 0.00 0.00 176.35 175.49 2k39 n ARG 72 N 3.96 0.00 -4.35 1.70 0.63 0.15 -4.92 116.66 113.83 2k39 n ARG 72 Ca -0.17 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.44 2k39 n ARG 72 Cb 0.52 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.33 2k39 n ARG 72 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k39 s LEU 73 N 0.00 3.24 0.49 6.15 1.43 -1.26 -4.93 118.68 123.79 2k39 s LEU 73 Ca 0.00 -0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 2k39 s LEU 73 Cb 0.00 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 2k39 s LEU 73 CO 0.00 0.25 1.26 -0.60 0.23 0.00 0.00 176.35 177.49 2k39 s ARG 74 N -1.70 3.54 -0.20 1.70 3.52 -1.26 -4.91 118.95 119.63 2k39 s ARG 74 Ca 0.19 2.00 0.01 0.00 -0.13 0.00 0.00 55.73 57.81 2k39 s ARG 74 Cb -0.11 -2.39 0.03 0.00 -1.56 0.00 0.00 34.95 30.92 2k39 s ARG 74 CO 0.11 -0.80 -0.17 0.20 -0.81 0.00 0.00 175.30 173.83 2k39 s GLY 75 N -1.13 1.46 0.00 8.12 0.00 -1.26 -5.15 107.32 109.36 2k39 s GLY 75 Ca 0.66 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 44.03 2k39 s GLY 75 CO 0.41 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.49