#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 3.94 -0.02 2.12 -0.21 -1.26 -1.48 119.66 122.76 2k39 s GLN 2 Ca 0.00 0.68 0.02 0.00 0.02 0.00 0.00 55.36 56.08 2k39 s GLN 2 Cb 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 33.01 31.65 2k39 s GLN 2 CO 0.00 0.02 -0.07 0.96 -2.12 0.00 0.00 175.29 174.09 2k39 s ILE 3 N -2.21 0.59 -0.25 1.08 -4.36 -0.92 -4.75 121.20 110.38 2k39 s ILE 3 Ca 0.55 -0.27 -0.16 0.00 -0.26 0.00 0.00 60.65 60.50 2k39 s ILE 3 Cb -0.10 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.05 2k39 s ILE 3 CO 0.23 0.19 0.41 -0.36 0.24 0.00 0.00 174.94 175.65 2k39 s PHE 4 N 0.12 3.28 -0.11 1.37 0.40 -1.26 -0.78 117.98 121.01 2k39 s PHE 4 Ca -0.01 0.52 0.02 0.00 -0.60 0.00 0.00 56.93 56.85 2k39 s PHE 4 Cb -0.06 -2.59 -0.01 0.00 0.51 0.00 0.00 43.02 40.86 2k39 s PHE 4 CO -0.00 -0.19 -0.18 0.08 0.70 0.00 0.00 175.22 175.64 2k39 s VAL 5 N 1.93 2.64 -0.32 -0.44 1.01 -0.96 -3.81 120.40 120.44 2k39 s VAL 5 Ca 0.17 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2k39 s VAL 5 Cb -0.15 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2k39 s VAL 5 CO 0.09 0.54 0.61 -0.54 0.00 0.00 0.00 175.10 175.81 2k39 s LYS 6 N 0.26 3.82 0.76 2.72 1.02 -0.87 -1.73 119.74 125.73 2k39 s LYS 6 Ca -0.12 0.19 -0.11 0.00 0.02 0.00 0.00 55.97 55.94 2k39 s LYS 6 Cb -0.16 -3.75 0.05 0.00 -0.52 0.00 0.00 37.83 33.44 2k39 s LYS 6 CO 0.07 -0.61 1.08 0.95 -0.92 0.00 0.00 175.35 175.92 2k39 s THR 7 N 2.60 3.45 0.19 2.17 -4.23 0.54 -0.69 115.64 119.66 2k39 s THR 7 Ca 0.24 0.47 -0.04 0.00 -1.18 0.00 0.00 61.69 61.18 2k39 s THR 7 Cb -0.15 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 2k39 s THR 7 CO 0.13 -0.61 1.52 0.25 -0.54 0.00 0.00 174.62 175.36 2k39 h LEU 8 N -0.94 0.69 -0.05 4.79 7.12 -1.87 -2.66 115.31 122.39 2k39 h LEU 8 Ca -0.46 -0.35 0.00 0.00 0.13 0.00 0.00 57.88 57.21 2k39 h LEU 8 Cb 1.25 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2k39 h LEU 8 CO 0.58 1.06 -0.01 0.35 -0.13 0.00 0.00 178.44 180.30 2k39 n THR 9 N -3.99 0.00 0.00 1.05 -2.24 -1.26 -4.93 114.28 102.90 2k39 n THR 9 Ca -0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2k39 n THR 9 Cb 0.57 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.14 1.44 3.77 3.38 0.00 -1.00 -5.13 105.19 108.80 2k39 n GLY 10 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.02 2.77 -0.42 1.61 2.20 -1.26 -4.92 119.74 119.70 2k39 s LYS 11 Ca 0.00 -1.06 0.02 0.00 -0.36 0.00 0.00 55.97 54.57 2k39 s LYS 11 Cb 0.00 -2.51 0.13 0.00 -1.51 0.00 0.00 37.83 33.94 2k39 s LYS 11 CO 0.00 0.42 0.21 0.99 -0.36 0.00 0.00 175.35 176.61 2k39 s THR 12 N -2.01 1.38 -0.43 3.43 2.01 -1.26 -0.34 115.64 118.41 2k39 s THR 12 Ca 0.32 -2.38 -0.29 0.00 0.31 0.00 0.00 61.69 59.65 2k39 s THR 12 Cb -0.08 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.47 2k39 s THR 12 CO 0.23 -0.85 1.14 -0.63 -0.69 0.00 0.00 174.62 173.82 2k39 s ILE 13 N 0.56 4.27 -0.51 1.82 -1.09 -0.70 -4.89 121.20 120.66 2k39 s ILE 13 Ca 0.16 1.36 -0.24 0.00 -2.23 0.00 0.00 60.65 59.70 2k39 s ILE 13 Cb -0.23 -4.53 0.03 0.00 -1.58 0.00 0.00 42.46 36.15 2k39 s ILE 13 CO -0.04 -0.84 0.90 -0.89 -1.23 0.00 0.00 174.94 172.84 2k39 s THR 14 N 4.27 4.47 0.37 2.92 2.01 -1.26 -2.28 115.64 126.14 2k39 s THR 14 Ca 0.48 0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.95 2k39 s THR 14 Cb -0.09 -4.47 -0.01 0.00 0.01 0.00 0.00 72.50 67.95 2k39 s THR 14 CO 0.27 -0.96 0.53 -0.76 -0.69 0.00 0.00 174.62 173.01 2k39 s LEU 15 N 3.75 3.88 0.05 4.42 1.02 0.04 -4.99 118.68 126.86 2k39 s LEU 15 Ca 0.32 -0.03 0.06 0.00 0.02 0.00 0.00 54.13 54.49 2k39 s LEU 15 Cb -0.12 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.17 2k39 s LEU 15 CO 0.22 -0.50 -0.11 -0.70 0.02 0.00 0.00 176.35 175.27 2k39 s GLU 16 N -4.29 2.26 0.33 1.70 2.12 -1.26 -2.17 118.70 117.40 2k39 s GLU 16 Ca 0.46 -0.90 0.03 0.00 0.36 0.00 0.00 54.97 54.91 2k39 s GLU 16 Cb -0.10 -2.34 -0.02 0.00 0.26 0.00 0.00 34.13 31.93 2k39 s GLU 16 CO 0.33 0.55 0.36 0.14 -0.54 0.00 0.00 175.26 176.10 2k39 s VAL 17 N -1.06 0.00 0.13 3.70 -7.23 -0.55 -4.96 120.40 110.44 2k39 s VAL 17 Ca 0.18 -1.83 0.11 0.00 -1.81 0.00 0.00 61.98 58.63 2k39 s VAL 17 Cb -0.11 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2k39 s VAL 17 CO 0.09 0.00 -0.26 -0.70 -0.31 0.00 0.00 175.10 173.93 2k39 s GLU 18 N -3.28 1.36 0.63 4.82 2.56 -1.26 -0.78 118.70 122.75 2k39 s GLU 18 Ca 0.36 -1.33 0.15 0.00 0.00 0.00 0.00 54.97 54.15 2k39 s GLU 18 Cb 0.01 -1.80 0.81 0.00 2.00 0.00 0.00 34.13 35.15 2k39 s GLU 18 CO 0.24 0.42 1.44 -1.35 -0.56 0.00 0.00 175.26 175.46 2k39 h PRO 19 N 3.85 0.00 -0.39 4.30 0.11 -1.94 0.00 132.00 137.93 2k39 h PRO 19 Ca -0.50 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 2k39 h PRO 19 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2k39 h PRO 19 CO 0.40 0.00 0.26 0.77 -0.21 0.00 0.00 178.00 179.22 2k39 h SER 20 N 0.00 0.35 -2.02 -2.05 0.02 -1.96 0.14 113.55 108.03 2k39 h SER 20 Ca 0.00 -0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 2k39 h SER 20 Cb 1.26 -0.08 0.04 0.00 0.14 0.00 0.00 62.40 63.76 2k39 h SER 20 CO 0.00 0.24 0.82 0.47 -1.14 0.00 0.00 176.83 177.22 2k39 n ASP 21 N -4.48 2.82 -4.80 3.07 9.92 -0.02 -4.78 116.55 118.28 2k39 n ASP 21 Ca 0.04 1.06 -0.35 0.00 -0.53 0.00 0.00 54.79 55.01 2k39 n ASP 21 Cb 0.16 -1.34 -0.07 0.00 -0.64 0.00 0.00 41.12 39.24 2k39 n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2k39 s THR 22 N 1.89 4.30 0.21 -3.53 -4.23 -1.26 -2.48 115.64 110.54 2k39 s THR 22 Ca 0.85 1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 62.84 2k39 s THR 22 Cb -0.78 -3.78 0.21 0.00 1.34 0.00 0.00 72.50 69.49 2k39 s THR 22 CO 0.46 -0.12 1.61 0.40 -0.54 0.00 0.00 174.62 176.43 2k39 h ILE 23 N 2.21 0.27 -0.79 2.99 1.08 -1.49 0.20 117.51 121.99 2k39 h ILE 23 Ca -0.48 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.28 2k39 h ILE 23 Cb 1.19 0.27 -0.14 0.00 -3.07 0.00 0.00 36.82 35.06 2k39 h ILE 23 CO 0.63 0.00 0.29 1.21 -0.69 0.00 0.00 178.15 179.59 2k39 n GLU 24 N -5.45 -0.05 0.05 2.37 4.07 0.40 -0.49 120.64 121.54 2k39 n GLU 24 Ca 0.07 1.12 -0.11 0.00 -0.06 0.00 0.00 57.16 58.17 2k39 n GLU 24 Cb 0.35 -1.93 -0.00 0.00 -0.06 0.00 0.00 31.44 29.80 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 0.51 -0.28 4.31 -1.24 -1.26 -2.98 115.58 114.64 2k39 h ASN 25 Ca 0.61 -0.36 -0.12 0.00 0.71 0.00 0.00 56.30 57.14 2k39 h ASN 25 Cb 1.52 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 40.41 2k39 h ASN 25 CO -0.65 1.12 -0.29 0.58 -1.29 0.00 0.00 177.43 176.90 2k39 h VAL 26 N 0.27 1.30 -0.80 2.57 2.07 -0.77 -2.44 116.25 118.45 2k39 h VAL 26 Ca -0.05 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.10 2k39 h VAL 26 Cb 1.40 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 2k39 h VAL 26 CO 0.14 0.47 0.52 0.11 0.02 0.00 0.00 177.57 178.83 2k39 h LYS 27 N 0.43 0.78 -0.03 1.57 1.57 -0.78 -2.10 116.57 118.00 2k39 h LYS 27 Ca 0.04 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2k39 h LYS 27 Cb 0.86 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2k39 h LYS 27 CO 0.07 0.51 -0.81 0.00 -0.57 0.00 0.00 179.45 178.66 2k39 h ALA 28 N 1.58 0.56 -0.02 3.86 0.00 -1.34 0.42 119.26 124.32 2k39 h ALA 28 Ca 0.36 -0.66 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 2k39 h ALA 28 Cb 0.35 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k39 h ALA 28 CO -0.14 0.82 -0.60 0.87 0.00 0.00 0.00 179.25 180.21 2k39 h LYS 29 N 0.19 0.44 -0.35 0.00 1.57 -1.00 -2.27 116.57 115.14 2k39 h LYS 29 Ca -0.04 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2k39 h LYS 29 Cb 1.40 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 2k39 h LYS 29 CO 0.13 1.10 0.19 0.82 -0.57 0.00 0.00 179.45 181.12 2k39 h ILE 30 N -0.05 1.12 -0.87 1.86 2.04 -1.35 -3.14 117.51 117.11 2k39 h ILE 30 Ca -0.07 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2k39 h ILE 30 Cb 1.29 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2k39 h ILE 30 CO 0.12 0.13 0.57 -0.61 0.00 0.00 0.00 178.15 178.35 2k39 h GLN 31 N 0.49 1.15 0.68 2.37 4.15 -0.69 -2.48 115.11 120.78 2k39 h GLN 31 Ca 0.13 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2k39 h GLN 31 Cb 0.02 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.45 2k39 h GLN 31 CO -0.02 0.76 -0.43 0.22 -1.93 0.00 0.00 178.83 177.43 2k39 h ASP 32 N 1.18 -1.09 -0.48 -0.69 3.58 -1.37 -2.18 116.42 115.36 2k39 h ASP 32 Ca 0.32 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.80 2k39 h ASP 32 Cb -0.13 0.32 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2k39 h ASP 32 CO -0.07 -0.65 0.17 0.11 -2.88 0.00 0.00 179.24 175.92 2k39 h LYS 33 N -1.04 0.74 0.00 0.28 1.57 -1.51 -3.37 116.57 113.24 2k39 h LYS 33 Ca -0.09 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2k39 h LYS 33 Cb 0.84 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2k39 h LYS 33 CO 0.08 0.68 -0.86 0.39 -0.57 0.00 0.00 179.45 179.18 2k39 n GLU 34 N -4.54 1.16 0.00 3.15 -0.58 -0.94 -5.02 120.64 113.87 2k39 n GLU 34 Ca 0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2k39 n GLU 34 Cb 0.17 -0.93 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 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 2.22 0.25 3.63 0.62 0.00 -0.82 -5.04 105.19 106.06 2k39 n GLY 35 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.53 0.63 -0.61 1.01 -1.25 -4.85 121.20 117.67 2k39 s ILE 36 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 60.65 61.11 2k39 s ILE 36 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2k39 s ILE 36 CO 0.00 -0.22 1.06 -2.16 0.00 0.00 0.00 174.94 173.62 2k39 s PRO 37 N 4.84 3.16 0.24 2.79 0.04 -1.26 -3.62 135.00 141.19 2k39 s PRO 37 Ca 0.77 1.12 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 2k39 s PRO 37 Cb -0.28 -2.01 0.29 0.00 0.04 0.00 0.00 34.50 32.53 2k39 s PRO 37 CO 0.31 -0.93 1.64 -1.00 0.04 0.00 0.00 177.00 177.06 2k39 h PRO 38 N -0.00 0.54 0.00 0.56 0.13 -1.91 -3.32 132.00 128.00 2k39 h PRO 38 Ca -0.46 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 2k39 h PRO 38 Cb 1.22 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k39 h PRO 38 CO 0.57 0.81 -0.07 0.22 -0.23 0.00 0.00 178.00 179.30 2k39 h ASP 39 N 0.46 0.00 0.78 1.44 3.58 -1.98 -3.00 116.42 117.70 2k39 h ASP 39 Ca 0.05 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.26 2k39 h ASP 39 Cb 0.80 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 2k39 h ASP 39 CO 0.07 0.07 -1.28 0.06 -2.88 0.00 0.00 179.24 175.27 2k39 h GLN 40 N 0.00 0.03 -6.69 0.28 3.07 -1.97 -3.46 115.11 106.37 2k39 h GLN 40 Ca -0.00 -0.04 -0.53 0.00 0.09 0.00 0.00 58.65 58.17 2k39 h GLN 40 Cb 0.16 0.02 0.04 0.00 0.08 0.00 0.00 27.48 27.78 2k39 h GLN 40 CO 0.01 0.85 0.72 -0.65 0.09 0.00 0.00 178.83 179.85 2k39 s GLN 41 N -2.66 4.32 0.00 0.06 -0.21 -1.13 -4.41 119.66 115.62 2k39 s GLN 41 Ca -0.02 2.19 0.05 0.00 0.02 0.00 0.00 55.36 57.60 2k39 s GLN 41 Cb 0.09 -3.16 -0.01 0.00 1.00 0.00 0.00 33.01 30.92 2k39 s GLN 41 CO 0.83 -0.37 -0.16 1.03 -2.12 0.00 0.00 175.29 174.50 2k39 s ARG 42 N 0.00 1.20 -0.06 2.91 0.52 -1.04 -5.04 118.95 117.45 2k39 s ARG 42 Ca 0.60 -0.63 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 2k39 s ARG 42 Cb -0.39 -1.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.88 2k39 s ARG 42 CO 0.39 0.32 -0.23 -0.51 0.02 0.00 0.00 175.30 175.29 2k39 s LEU 43 N -0.59 2.21 0.19 2.53 2.01 -1.26 -1.37 118.68 122.41 2k39 s LEU 43 Ca 0.05 -0.44 0.09 0.00 0.01 0.00 0.00 54.13 53.84 2k39 s LEU 43 Cb -0.07 -1.41 -0.04 0.00 0.01 0.00 0.00 46.19 44.68 2k39 s LEU 43 CO -0.00 0.27 -0.19 -0.63 1.01 0.00 0.00 176.35 176.81 2k39 s ILE 44 N -0.29 1.99 -0.26 -0.59 1.01 -0.32 -0.86 121.20 121.88 2k39 s ILE 44 Ca 0.00 -2.06 -0.13 0.00 0.00 0.00 0.00 60.65 58.46 2k39 s ILE 44 Cb -0.13 -1.99 0.09 0.00 0.01 0.00 0.00 42.46 40.44 2k39 s ILE 44 CO 0.03 -0.34 0.62 0.12 0.00 0.00 0.00 174.94 175.36 2k39 s PHE 45 N -2.21 -1.03 -1.67 3.97 5.36 -1.15 -0.44 117.98 120.80 2k39 s PHE 45 Ca 0.20 2.01 0.00 0.00 -0.96 0.00 0.00 56.93 58.17 2k39 s PHE 45 Cb -0.05 0.59 0.00 0.00 -0.34 0.00 0.00 43.02 43.22 2k39 s PHE 45 CO 0.08 -0.52 0.00 0.00 -1.46 0.00 0.00 175.22 173.32 2k39 n ALA 46 N 4.59 -0.53 0.00 11.12 0.00 -1.26 -2.54 120.51 131.89 2k39 n ALA 46 Ca -0.18 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k39 n ALA 46 Cb 0.56 -1.90 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 -0.72 0.50 3.30 0.00 0.00 -1.26 -5.08 105.19 101.94 2k39 n GLY 47 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.67 1.80 -0.32 1.61 -2.85 -1.05 -5.12 119.74 113.15 2k39 s LYS 48 Ca 0.00 -0.98 -0.20 0.00 -1.00 0.00 0.00 55.97 53.79 2k39 s LYS 48 Cb 0.00 -1.86 -0.01 0.00 -2.06 0.00 0.00 37.83 33.90 2k39 s LYS 48 CO 0.00 0.49 0.63 -0.65 0.10 0.00 0.00 175.35 175.93 2k39 s GLN 49 N -0.94 3.84 0.10 1.78 -0.21 -1.26 -2.95 119.66 120.03 2k39 s GLN 49 Ca 0.10 0.23 -0.27 0.00 0.02 0.00 0.00 55.36 55.44 2k39 s GLN 49 Cb -0.09 -3.75 -0.06 0.00 1.00 0.00 0.00 33.01 30.10 2k39 s GLN 49 CO 0.01 -0.62 0.85 -0.51 -2.12 0.00 0.00 175.29 172.90 2k39 s LEU 50 N 2.64 4.51 -0.20 2.90 1.43 -0.04 -5.00 118.68 124.92 2k39 s LEU 50 Ca 0.25 1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 54.81 2k39 s LEU 50 Cb -0.15 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2k39 s LEU 50 CO 0.13 0.04 0.49 -1.61 0.23 0.00 0.00 176.35 175.62 2k39 s GLU 51 N -0.33 4.18 0.64 1.70 0.41 -1.26 -4.57 118.70 119.47 2k39 s GLU 51 Ca 0.41 0.36 0.30 0.00 -0.41 0.00 0.00 54.97 55.63 2k39 s GLU 51 Cb -0.22 -3.56 1.64 0.00 -1.78 0.00 0.00 34.13 30.21 2k39 s GLU 51 CO 0.27 -0.13 1.96 -0.44 -0.49 0.00 0.00 175.26 176.43 2k39 h ASP 52 N 7.46 0.00 -0.01 -0.19 5.19 -1.94 -1.99 116.42 124.94 2k39 h ASP 52 Ca -0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 2k39 h ASP 52 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2k39 h ASP 52 CO 0.73 0.00 -0.53 0.61 -3.12 0.00 0.00 179.24 176.93 2k39 n GLY 53 N -1.31 -0.09 3.90 2.75 0.00 -1.26 -0.46 105.19 108.73 2k39 n GLY 53 Ca 0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.54 3.63 0.45 1.61 1.81 -0.75 -4.93 118.95 118.23 2k39 s ARG 54 Ca 0.17 0.11 0.03 0.00 -1.72 0.00 0.00 55.73 54.33 2k39 s ARG 54 Cb 0.18 -2.54 0.01 0.00 -0.45 0.00 0.00 34.95 32.15 2k39 s ARG 54 CO 0.61 0.07 0.64 0.95 -0.68 0.00 0.00 175.30 176.88 2k39 s THR 55 N -2.31 3.47 0.29 0.02 -4.23 -1.26 -2.57 115.64 109.05 2k39 s THR 55 Ca 0.46 -0.75 0.09 0.00 -1.18 0.00 0.00 61.69 60.31 2k39 s THR 55 Cb -0.10 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.50 2k39 s THR 55 CO 0.34 -0.14 1.67 -0.07 -0.54 0.00 0.00 174.62 175.88 2k39 h LEU 56 N 0.46 0.12 -1.14 4.79 3.38 -1.08 -1.46 115.31 120.38 2k39 h LEU 56 Ca -0.44 -0.06 0.21 0.00 0.09 0.00 0.00 57.88 57.68 2k39 h LEU 56 Cb 1.27 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 2k39 h LEU 56 CO 0.53 0.61 0.62 -1.28 0.09 0.00 0.00 178.44 179.01 2k39 h SER 57 N 0.09 0.67 0.92 -0.43 0.87 -1.16 -1.77 113.55 112.74 2k39 h SER 57 Ca 0.00 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 2k39 h SER 57 Cb 0.94 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2k39 h SER 57 CO 0.07 0.21 -0.48 0.44 -0.53 0.00 0.00 176.83 176.55 2k39 h ASP 58 N 0.64 0.00 -0.67 6.23 3.32 -1.54 -2.86 116.42 121.54 2k39 h ASP 58 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2k39 h ASP 58 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2k39 h ASP 58 CO -0.35 0.48 0.00 -1.22 -1.72 0.00 0.00 179.24 176.43 2k39 n TYR 59 N -3.51 0.91 -2.76 4.55 4.01 -1.19 -4.98 117.16 114.18 2k39 n TYR 59 Ca -0.00 -0.50 -0.21 0.00 -0.16 0.00 0.00 57.90 57.03 2k39 n TYR 59 Cb 0.59 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.63 2k39 n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2k39 n ASN 60 N 1.45 -5.90 -4.57 7.72 6.94 -1.08 -5.00 115.26 114.81 2k39 n ASN 60 Ca 0.22 -0.18 -0.42 0.00 -0.02 0.00 0.00 54.58 54.19 2k39 n ASN 60 Cb 0.60 -4.79 -0.06 0.00 -2.36 0.00 0.00 39.78 33.16 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2k39 s ILE 61 N -3.10 4.87 -0.42 1.53 1.01 -0.67 -5.01 121.20 119.40 2k39 s ILE 61 Ca 0.18 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.47 2k39 s ILE 61 Cb -0.08 -4.09 0.17 0.00 0.01 0.00 0.00 42.46 38.47 2k39 s ILE 61 CO 0.23 -0.34 0.40 0.00 0.00 0.00 0.00 174.94 175.23 2k39 s GLN 62 N 2.75 0.89 0.00 2.79 0.00 -1.26 -4.20 119.66 120.63 2k39 s GLN 62 Ca 0.25 -1.80 0.00 0.00 -0.00 0.00 0.00 55.36 53.81 2k39 s GLN 62 Cb -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 33.01 31.74 2k39 s GLN 62 CO 0.15 -1.36 0.00 1.17 0.00 0.00 0.00 175.29 175.26 2k39 n LYS 63 N 3.03 0.00 -2.86 9.60 4.81 -1.26 -4.95 118.16 126.53 2k39 n LYS 63 Ca 0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.61 2k39 n LYS 63 Cb 0.48 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.56 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2k39 n GLU 64 N 0.17 -2.92 -3.11 1.64 4.07 -1.26 -5.05 120.64 114.17 2k39 n GLU 64 Ca 0.00 0.31 -0.36 0.00 -0.06 0.00 0.00 57.16 57.05 2k39 n GLU 64 Cb 0.00 -3.77 -0.06 0.00 -0.06 0.00 0.00 31.44 27.55 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 -3.17 7.05 -0.41 4.31 0.01 -1.26 -5.07 113.70 115.16 2k39 s SER 65 Ca 0.19 1.41 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 2k39 s SER 65 Cb -0.08 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.76 2k39 s SER 65 CO 0.27 0.04 0.30 -0.89 0.41 0.00 0.00 173.24 173.38 2k39 s THR 66 N -1.50 5.21 0.12 1.44 2.01 -1.26 -4.68 115.64 116.98 2k39 s THR 66 Ca 0.42 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.78 2k39 s THR 66 Cb -0.17 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2k39 s THR 66 CO 0.21 -0.33 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.99 2k39 s LEU 67 N 1.67 3.16 -0.01 4.42 1.02 -1.25 -4.52 118.68 123.17 2k39 s LEU 67 Ca 0.05 -0.37 0.08 0.00 0.02 0.00 0.00 54.13 53.91 2k39 s LEU 67 Cb -0.19 -1.91 -0.02 0.00 0.02 0.00 0.00 46.19 44.09 2k39 s LEU 67 CO 0.09 0.16 -0.25 -1.00 0.02 0.00 0.00 176.35 175.37 2k39 s HIS 68 N -1.36 2.24 -0.14 0.29 3.76 0.42 -2.04 115.29 118.46 2k39 s HIS 68 Ca 0.23 -0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 54.63 2k39 s HIS 68 Cb -0.11 -1.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.11 2k39 s HIS 68 CO 0.15 -0.02 0.19 -1.17 -0.85 0.00 0.00 174.74 173.05 2k39 s LEU 69 N -0.67 4.33 0.09 0.89 2.96 0.13 -1.17 118.68 125.24 2k39 s LEU 69 Ca 0.10 0.46 0.08 0.00 -0.22 0.00 0.00 54.13 54.55 2k39 s LEU 69 Cb -0.10 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 2k39 s LEU 69 CO -0.01 0.29 -0.16 0.68 -1.32 0.00 0.00 176.35 175.83 2k39 s VAL 70 N -0.41 2.97 0.12 1.68 -7.23 -0.47 -3.34 120.40 113.72 2k39 s VAL 70 Ca 0.14 -1.35 -0.09 0.00 -1.81 0.00 0.00 61.98 58.88 2k39 s VAL 70 Cb -0.12 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.51 2k39 s VAL 70 CO 0.03 0.17 0.44 0.00 -0.31 0.00 0.00 175.10 175.44 2k39 n LEU 71 N 1.00 0.00 -4.45 1.32 -0.00 -1.26 -2.51 117.00 111.10 2k39 n LEU 71 Ca -0.15 -0.88 -0.35 0.00 -0.00 0.00 0.00 56.01 54.62 2k39 n LEU 71 Cb 0.52 1.49 -0.12 0.00 -0.00 0.00 0.00 43.42 45.31 2k39 n LEU 71 CO 0.29 -0.29 -0.31 -0.13 -0.00 0.00 0.00 177.39 176.95 2k39 s ARG 72 N -2.03 3.64 0.09 1.47 0.52 -1.26 -5.08 118.95 116.30 2k39 s ARG 72 Ca 0.09 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 2k39 s ARG 72 Cb -0.02 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 2k39 s ARG 72 CO 0.04 -0.06 -0.12 -0.48 0.02 0.00 0.00 175.30 174.70 2k39 s LEU 73 N 1.21 2.36 0.02 2.53 2.34 -1.26 -5.15 118.68 120.74 2k39 s LEU 73 Ca 0.04 -0.75 0.01 0.00 0.06 0.00 0.00 54.13 53.49 2k39 s LEU 73 Cb -0.15 -0.42 -0.04 0.00 -0.56 0.00 0.00 46.19 45.03 2k39 s LEU 73 CO 0.02 -0.18 0.08 -0.60 -1.06 0.00 0.00 176.35 174.61 2k39 s ARG 74 N -2.42 3.00 0.00 1.48 3.52 -1.26 -5.05 118.95 118.22 2k39 s ARG 74 Ca 0.04 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 2k39 s ARG 74 Cb -0.06 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 2k39 s ARG 74 CO 0.01 0.62 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 2k39 n GLY 75 N 0.97 2.36 0.48 8.12 0.00 -1.26 -5.26 105.19 110.60 2k39 n GLY 75 Ca -0.12 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 43.95 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93