#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 3.89 -0.17 2.12 -0.21 -1.26 0.31 119.66 124.34 2k39 s GLN 2 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.02 2k39 s GLN 2 Cb 0.00 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.87 2k39 s GLN 2 CO 0.00 0.30 -0.19 0.96 -2.12 0.00 0.00 175.29 174.23 2k39 s ILE 3 N 0.29 2.19 0.54 1.08 -4.36 -1.11 -0.59 121.20 119.24 2k39 s ILE 3 Ca 0.03 -0.91 -0.18 0.00 -0.26 0.00 0.00 60.65 59.32 2k39 s ILE 3 Cb -0.13 -1.91 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 2k39 s ILE 3 CO 0.01 0.53 1.06 -0.36 0.24 0.00 0.00 174.94 176.42 2k39 s PHE 4 N 1.11 2.93 0.15 1.37 0.08 -0.67 -2.80 117.98 120.16 2k39 s PHE 4 Ca 0.00 1.55 0.08 0.00 0.12 0.00 0.00 56.93 58.68 2k39 s PHE 4 Cb -0.14 -3.08 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 2k39 s PHE 4 CO -0.08 -1.07 -0.17 0.54 -0.10 0.00 0.00 175.22 174.34 2k39 s VAL 5 N -2.14 1.66 0.17 -0.44 0.11 -0.58 -1.49 120.40 117.69 2k39 s VAL 5 Ca 0.67 -1.86 0.11 0.00 -2.93 0.00 0.00 61.98 57.96 2k39 s VAL 5 Cb -0.17 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 2k39 s VAL 5 CO 0.28 -0.35 -0.24 -0.75 -3.33 0.00 0.00 175.10 170.70 2k39 s LYS 6 N -2.78 1.45 0.24 1.54 2.20 0.33 -0.45 119.74 122.27 2k39 s LYS 6 Ca 0.14 -1.45 0.07 0.00 -0.36 0.00 0.00 55.97 54.37 2k39 s LYS 6 Cb -0.05 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.43 2k39 s LYS 6 CO 0.05 0.40 0.15 0.95 -0.36 0.00 0.00 175.35 176.54 2k39 s THR 7 N -1.50 4.26 0.46 3.43 -4.23 -0.67 -1.19 115.64 116.20 2k39 s THR 7 Ca 0.18 -1.45 0.41 0.00 -1.18 0.00 0.00 61.69 59.65 2k39 s THR 7 Cb -0.08 -3.27 0.43 0.00 1.34 0.00 0.00 72.50 70.91 2k39 s THR 7 CO 0.08 -0.31 2.24 -0.07 -0.54 0.00 0.00 174.62 176.02 2k39 h LEU 8 N 1.74 0.00 0.00 4.79 3.38 -1.90 -1.84 115.31 121.47 2k39 h LEU 8 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k39 h LEU 8 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2k39 h LEU 8 CO 0.61 0.00 -0.41 0.71 0.09 0.00 0.00 178.44 179.44 2k39 h THR 9 N 0.00 0.00 0.00 0.22 1.35 -1.97 -3.48 112.91 109.03 2k39 h THR 9 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2k39 h THR 9 Cb 0.18 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2k39 h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2k39 n GLY 10 N 1.31 0.90 3.73 5.82 0.00 -0.69 -5.10 105.19 111.15 2k39 n GLY 10 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.77 4.56 -0.18 1.61 2.20 -1.26 -4.82 119.74 121.07 2k39 s LYS 11 Ca 0.00 1.23 -0.20 0.00 -0.36 0.00 0.00 55.97 56.64 2k39 s LYS 11 Cb 0.00 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2k39 s LYS 11 CO 0.00 0.14 0.59 0.99 -0.36 0.00 0.00 175.35 176.71 2k39 s THR 12 N 0.37 5.06 -0.06 3.43 2.01 -1.26 -1.67 115.64 123.53 2k39 s THR 12 Ca 0.44 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.58 2k39 s THR 12 Cb -0.21 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 2k39 s THR 12 CO 0.25 0.16 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.58 2k39 s ILE 13 N 1.66 3.16 -0.16 1.82 -1.09 0.41 -4.99 121.20 122.00 2k39 s ILE 13 Ca 0.28 -0.68 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 2k39 s ILE 13 Cb -0.16 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 2k39 s ILE 13 CO 0.11 0.59 0.27 -0.89 -1.23 0.00 0.00 174.94 173.78 2k39 s THR 14 N -0.68 5.32 -0.17 2.92 2.01 -1.26 -1.52 115.64 122.26 2k39 s THR 14 Ca 0.10 0.50 -0.05 0.00 0.31 0.00 0.00 61.69 62.55 2k39 s THR 14 Cb -0.11 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2k39 s THR 14 CO 0.01 0.41 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.58 2k39 s LEU 15 N 0.37 3.40 -0.26 4.42 1.43 -1.12 -4.96 118.68 121.95 2k39 s LEU 15 Ca 0.15 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 2k39 s LEU 15 Cb -0.13 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2k39 s LEU 15 CO 0.03 0.16 1.04 -1.83 0.23 0.00 0.00 176.35 175.98 2k39 s GLU 16 N 0.41 4.18 0.15 1.70 1.03 -1.26 -2.74 118.70 122.17 2k39 s GLU 16 Ca -0.02 1.23 0.07 0.00 0.03 0.00 0.00 54.97 56.27 2k39 s GLU 16 Cb -0.14 -3.68 -0.04 0.00 -0.80 0.00 0.00 34.13 29.48 2k39 s GLU 16 CO 0.02 -0.72 -0.15 0.14 -1.33 0.00 0.00 175.26 173.23 2k39 s VAL 17 N 3.34 1.51 0.58 1.83 -7.23 0.15 -4.94 120.40 115.63 2k39 s VAL 17 Ca 0.44 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 2k39 s VAL 17 Cb -0.14 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2k39 s VAL 17 CO 0.09 -0.47 1.05 -1.61 -0.31 0.00 0.00 175.10 173.86 2k39 s GLU 18 N -3.02 3.39 0.00 4.82 0.41 -1.26 0.52 118.70 123.56 2k39 s GLU 18 Ca 0.14 1.20 0.00 0.00 -0.41 0.00 0.00 54.97 55.91 2k39 s GLU 18 Cb -0.03 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 2k39 s GLU 18 CO 0.04 -0.75 0.60 -0.35 -0.49 0.00 0.00 175.26 174.31 2k39 n PRO 19 N -1.92 0.84 0.00 0.39 -0.04 -1.26 -1.99 135.00 131.02 2k39 n PRO 19 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2k39 n PRO 19 Cb 0.53 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2k39 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k39 n SER 20 N -0.16 0.57 -4.76 3.54 3.41 -1.26 -4.80 113.62 110.16 2k39 n SER 20 Ca 0.00 -1.14 -0.41 0.00 -0.26 0.00 0.00 58.87 57.06 2k39 n SER 20 Cb 0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 2k39 n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k39 n ASP 21 N -0.07 3.78 -4.96 4.04 8.00 -0.84 -4.84 116.55 121.66 2k39 n ASP 21 Ca 0.00 1.19 -0.19 0.00 0.71 0.00 0.00 54.79 56.51 2k39 n ASP 21 Cb 0.22 -1.60 -0.00 0.00 -0.02 0.00 0.00 41.12 39.71 2k39 n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2k39 s THR 22 N -0.65 2.83 0.38 -3.53 -4.23 -1.26 -3.46 115.64 105.72 2k39 s THR 22 Ca 0.58 -1.13 0.12 0.00 -1.18 0.00 0.00 61.69 60.08 2k39 s THR 22 Cb -0.49 -2.95 0.12 0.00 1.34 0.00 0.00 72.50 70.52 2k39 s THR 22 CO 0.57 0.00 1.87 0.40 -0.54 0.00 0.00 174.62 176.92 2k39 h ILE 23 N 0.76 1.22 0.00 2.99 1.08 -1.81 -2.51 117.51 119.24 2k39 h ILE 23 Ca -0.40 -1.04 -0.03 0.00 -0.39 0.00 0.00 64.86 63.00 2k39 h ILE 23 Cb 1.28 1.50 -0.00 0.00 -3.07 0.00 0.00 36.82 36.52 2k39 h ILE 23 CO 0.49 0.30 -0.16 -0.08 -0.69 0.00 0.00 178.15 178.02 2k39 h GLU 24 N 0.07 0.00 0.00 2.37 4.81 -1.91 -2.00 114.58 117.93 2k39 h GLU 24 Ca 0.01 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 2k39 h GLU 24 Cb 0.53 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2k39 h GLU 24 CO 0.04 0.16 -1.04 -0.91 -0.73 0.00 0.00 179.01 176.53 2k39 h ASN 25 N 0.00 0.00 0.99 1.04 4.21 -1.86 -2.92 115.58 117.04 2k39 h ASN 25 Ca -0.00 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.30 2k39 h ASN 25 Cb 0.38 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.55 2k39 h ASN 25 CO 0.02 0.81 -1.04 0.58 -1.29 0.00 0.00 177.43 176.51 2k39 h VAL 26 N 0.00 1.47 -0.46 2.81 2.07 -1.00 0.99 116.25 122.12 2k39 h VAL 26 Ca -0.08 -3.15 0.09 0.00 0.82 0.00 0.00 66.70 64.39 2k39 h VAL 26 Cb 1.68 2.72 -0.08 0.00 -1.52 0.00 0.00 31.29 34.09 2k39 h VAL 26 CO 0.09 0.84 -0.06 0.11 0.02 0.00 0.00 177.57 178.57 2k39 h LYS 27 N 0.00 0.05 -0.17 1.57 1.57 -1.53 -0.64 116.57 117.42 2k39 h LYS 27 Ca -0.05 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2k39 h LYS 27 Cb 1.75 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.04 2k39 h LYS 27 CO 0.11 0.03 -0.12 0.00 -0.57 0.00 0.00 179.45 178.90 2k39 h ALA 28 N 1.44 0.24 -0.39 3.86 0.00 -1.30 -1.21 119.26 121.90 2k39 h ALA 28 Ca 0.23 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2k39 h ALA 28 Cb 0.35 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2k39 h ALA 28 CO -0.44 0.10 -0.10 0.87 0.00 0.00 0.00 179.25 179.68 2k39 h LYS 29 N 0.04 -0.01 -0.92 0.00 1.57 -0.64 -1.60 116.57 115.02 2k39 h LYS 29 Ca 0.03 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 2k39 h LYS 29 Cb 0.63 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 2k39 h LYS 29 CO 0.03 -0.01 0.59 0.82 -0.57 0.00 0.00 179.45 180.31 2k39 h ILE 30 N -0.01 0.88 -0.52 1.86 2.04 -1.03 -1.51 117.51 119.23 2k39 h ILE 30 Ca 0.19 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2k39 h ILE 30 Cb 0.29 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2k39 h ILE 30 CO -0.41 0.15 0.11 -0.61 0.00 0.00 0.00 178.15 177.39 2k39 h GLN 31 N 0.80 0.84 -0.85 2.37 4.15 -0.72 -1.36 115.11 120.34 2k39 h GLN 31 Ca 0.45 -0.21 0.14 0.00 0.77 0.00 0.00 58.65 59.80 2k39 h GLN 31 Cb 0.61 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.10 2k39 h GLN 31 CO -0.22 0.82 0.44 0.22 -1.93 0.00 0.00 178.83 178.16 2k39 h ASP 32 N 0.73 0.54 0.03 -0.69 3.58 -0.33 -2.61 116.42 117.67 2k39 h ASP 32 Ca 0.16 0.09 -0.28 0.00 0.42 0.00 0.00 57.03 57.42 2k39 h ASP 32 Cb 0.37 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 2k39 h ASP 32 CO 0.01 0.24 -1.52 0.29 -2.88 0.00 0.00 179.24 175.37 2k39 n LYS 33 N -4.86 0.62 0.00 0.28 4.76 -0.75 -4.66 118.16 113.56 2k39 n LYS 33 Ca 0.17 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 2k39 n LYS 33 Cb 0.42 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 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 -4.17 3.39 0.00 1.97 -0.58 -0.52 -5.03 120.64 115.70 2k39 n GLU 34 Ca -0.33 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 2k39 n GLU 34 Cb 0.79 -0.75 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 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 1.76 0.68 3.63 0.62 0.00 -0.98 -5.01 105.19 105.89 2k39 n GLY 35 Ca 0.00 0.00 -0.41 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 4.96 0.40 -0.61 1.01 -1.25 -4.88 121.20 118.82 2k39 s ILE 36 Ca 0.00 1.19 -0.25 0.00 0.00 0.00 0.00 60.65 61.59 2k39 s ILE 36 Cb 0.00 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.40 2k39 s ILE 36 CO 0.00 0.01 1.07 -2.65 0.00 0.00 0.00 174.94 173.37 2k39 n PRO 37 N 5.76 1.50 -0.08 2.79 -0.02 -1.26 -3.35 135.00 140.35 2k39 n PRO 37 Ca 0.00 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 61.91 2k39 n PRO 37 Cb 0.49 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 2k39 n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2k39 h PRO 38 N 1.75 0.38 -0.65 0.52 0.13 -1.96 -3.06 132.00 129.12 2k39 h PRO 38 Ca -0.45 -0.08 0.27 0.00 -0.87 0.00 0.00 66.00 64.87 2k39 h PRO 38 Cb 1.33 -0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.29 2k39 h PRO 38 CO 0.58 0.46 0.33 -3.47 -0.23 0.00 0.00 178.00 175.67 2k39 n ASP 39 N -4.75 0.21 -0.43 1.44 2.03 -1.26 -2.65 116.55 111.14 2k39 n ASP 39 Ca -0.03 1.08 0.10 0.00 0.52 0.00 0.00 54.79 56.46 2k39 n ASP 39 Cb 0.16 -0.52 -0.01 0.00 -0.72 0.00 0.00 41.12 40.02 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 -4.49 1.25 -3.93 -0.67 1.13 -1.16 -4.96 117.38 104.55 2k39 n GLN 40 Ca 0.24 -0.87 -0.24 0.00 -1.94 0.00 0.00 57.00 54.19 2k39 n GLN 40 Cb 0.81 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 29.71 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2k39 s GLN 41 N -2.39 3.44 -0.06 -1.09 -0.21 -1.09 0.36 119.66 118.63 2k39 s GLN 41 Ca 0.16 -0.65 -0.02 0.00 0.02 0.00 0.00 55.36 54.87 2k39 s GLN 41 Cb 0.17 -2.92 0.04 0.00 1.00 0.00 0.00 33.01 31.29 2k39 s GLN 41 CO 0.56 0.47 0.12 -0.98 -2.12 0.00 0.00 175.29 173.33 2k39 s ARG 42 N -3.59 0.05 -0.19 2.91 1.70 0.19 -4.88 118.95 115.14 2k39 s ARG 42 Ca 0.35 0.34 -0.01 0.00 -0.47 0.00 0.00 55.73 55.94 2k39 s ARG 42 Cb -0.10 -0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.08 2k39 s ARG 42 CO 0.29 -0.18 -0.14 -0.51 -1.08 0.00 0.00 175.30 173.68 2k39 s LEU 43 N 1.25 2.41 0.13 -1.89 1.43 -1.26 -2.00 118.68 118.74 2k39 s LEU 43 Ca -0.08 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2k39 s LEU 43 Cb -0.12 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2k39 s LEU 43 CO -0.05 -0.00 0.09 -0.63 0.23 0.00 0.00 176.35 175.99 2k39 s ILE 44 N 1.33 4.40 -0.26 -0.59 -1.09 -1.26 -2.04 121.20 121.68 2k39 s ILE 44 Ca 0.05 -0.99 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 2k39 s ILE 44 Cb -0.14 -3.18 0.14 0.00 -1.58 0.00 0.00 42.46 37.71 2k39 s ILE 44 CO -0.09 -0.01 0.40 0.12 -1.23 0.00 0.00 174.94 174.13 2k39 s PHE 45 N -1.58 -0.93 -0.81 3.97 2.19 -0.52 -4.67 117.98 115.63 2k39 s PHE 45 Ca 0.30 0.74 0.00 0.00 0.33 0.00 0.00 56.93 58.30 2k39 s PHE 45 Cb -0.11 0.00 0.00 0.00 -1.31 0.00 0.00 43.02 41.61 2k39 s PHE 45 CO 0.22 -0.81 0.00 0.00 1.83 0.00 0.00 175.22 176.46 2k39 n ALA 46 N 5.37 -0.16 0.00 11.12 0.00 -1.26 -3.00 120.51 132.57 2k39 n ALA 46 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2k39 n ALA 46 Cb 0.50 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.67 1.18 3.53 0.00 0.00 -1.26 -5.06 105.19 101.92 2k39 n GLY 47 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.70 2.49 0.07 1.61 1.02 -1.16 -5.13 119.74 117.94 2k39 s LYS 48 Ca 0.00 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.12 2k39 s LYS 48 Cb 0.00 -2.43 -0.06 0.00 -0.52 0.00 0.00 37.83 34.82 2k39 s LYS 48 CO 0.00 0.61 0.48 -1.14 -0.92 0.00 0.00 175.35 174.38 2k39 s GLN 49 N -1.09 3.98 -0.37 1.68 0.74 -1.26 -1.44 119.66 121.90 2k39 s GLN 49 Ca 0.14 0.48 -0.23 0.00 0.05 0.00 0.00 55.36 55.81 2k39 s GLN 49 Cb -0.11 -3.12 0.01 0.00 1.10 0.00 0.00 33.01 30.89 2k39 s GLN 49 CO 0.04 0.61 0.76 -0.51 -0.55 0.00 0.00 175.29 175.63 2k39 s LEU 50 N -1.41 4.17 0.33 3.68 1.43 -0.87 -4.97 118.68 121.03 2k39 s LEU 50 Ca 0.30 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 2k39 s LEU 50 Cb -0.17 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 2k39 s LEU 50 CO 0.17 -0.73 0.37 -1.61 0.23 0.00 0.00 176.35 174.78 2k39 s GLU 51 N 3.05 2.94 0.16 1.70 0.41 -1.26 -4.77 118.70 120.93 2k39 s GLU 51 Ca 0.30 -1.14 -0.31 0.00 -0.41 0.00 0.00 54.97 53.41 2k39 s GLU 51 Cb -0.13 -2.65 -0.09 0.00 -1.78 0.00 0.00 34.13 29.49 2k39 s GLU 51 CO 0.17 0.11 1.38 0.34 -0.49 0.00 0.00 175.26 176.78 2k39 s ASP 52 N -4.06 6.81 0.00 -0.19 2.15 -1.26 -3.63 116.67 116.49 2k39 s ASP 52 Ca 0.42 2.41 0.00 0.00 0.43 0.00 0.00 52.55 55.81 2k39 s ASP 52 Cb -0.08 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2k39 s ASP 52 CO 0.28 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 2k39 n GLY 53 N 2.99 0.59 3.93 2.66 0.00 -1.26 -5.07 105.19 109.03 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 -0.89 2.99 0.29 1.61 1.81 -1.24 -5.04 118.95 118.48 2k39 s ARG 54 Ca 0.00 -0.17 0.09 0.00 -1.72 0.00 0.00 55.73 53.92 2k39 s ARG 54 Cb 0.00 -2.38 -0.04 0.00 -0.45 0.00 0.00 34.95 32.08 2k39 s ARG 54 CO 0.00 -0.53 0.07 0.95 -0.68 0.00 0.00 175.30 175.11 2k39 s THR 55 N -2.83 3.43 0.29 0.02 -4.23 -1.26 -3.67 115.64 107.40 2k39 s THR 55 Ca 0.52 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 2k39 s THR 55 Cb -0.10 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.07 2k39 s THR 55 CO 0.43 -0.31 1.86 -0.07 -0.54 0.00 0.00 174.62 175.99 2k39 h LEU 56 N 1.73 0.92 -1.48 4.79 3.38 -1.88 -2.76 115.31 120.00 2k39 h LEU 56 Ca -0.45 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2k39 h LEU 56 Cb 1.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2k39 h LEU 56 CO 0.61 0.53 0.18 0.28 0.09 0.00 0.00 178.44 180.13 2k39 h SER 57 N 1.01 0.47 -0.81 -0.43 0.02 -1.87 -2.22 113.55 109.72 2k39 h SER 57 Ca 0.46 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 2k39 h SER 57 Cb 0.39 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2k39 h SER 57 CO -0.22 0.41 0.49 0.44 -1.14 0.00 0.00 176.83 176.81 2k39 h ASP 58 N 0.53 0.98 -0.60 3.07 3.32 -1.89 -1.91 116.42 119.91 2k39 h ASP 58 Ca 0.13 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2k39 h ASP 58 Cb 0.07 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2k39 h ASP 58 CO -0.02 0.76 0.00 -1.22 -1.72 0.00 0.00 179.24 177.04 2k39 n TYR 59 N -4.37 1.36 -1.08 4.55 4.01 -0.94 -4.98 117.16 115.71 2k39 n TYR 59 Ca 0.09 -0.55 -0.03 0.00 -0.16 0.00 0.00 57.90 57.25 2k39 n TYR 59 Cb 0.07 -0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 38.86 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 1.04 -3.76 -4.61 7.72 0.23 -0.72 -4.96 115.26 110.21 2k39 n ASN 60 Ca 0.24 0.07 -0.43 0.00 -0.53 0.00 0.00 54.58 53.93 2k39 n ASN 60 Cb 0.82 -1.51 -0.02 0.00 -2.08 0.00 0.00 39.78 36.99 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2k39 s ILE 61 N -1.97 3.79 0.39 1.53 1.01 -0.94 -4.94 121.20 120.07 2k39 s ILE 61 Ca 0.00 0.83 0.03 0.00 0.00 0.00 0.00 60.65 61.51 2k39 s ILE 61 Cb 0.00 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2k39 s ILE 61 CO 0.00 -0.55 0.57 -1.10 0.00 0.00 0.00 174.94 173.86 2k39 s GLN 62 N 4.97 3.09 -0.30 2.79 -1.52 -1.26 -4.46 119.66 122.96 2k39 s GLN 62 Ca 0.67 -0.75 -0.39 0.00 -1.95 0.00 0.00 55.36 52.94 2k39 s GLN 62 Cb -0.18 -2.69 -0.15 0.00 -0.22 0.00 0.00 33.01 29.77 2k39 s GLN 62 CO 0.31 -0.11 1.85 1.17 -0.25 0.00 0.00 175.29 178.26 2k39 n LYS 63 N -1.86 1.11 -1.05 2.91 4.81 -1.26 -1.57 118.16 121.23 2k39 n LYS 63 Ca 0.01 0.39 -0.02 0.00 -0.87 0.00 0.00 58.31 57.82 2k39 n LYS 63 Cb 0.58 -2.15 -0.01 0.00 0.02 0.00 0.00 35.03 33.47 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 6.04 -0.15 -2.27 1.64 4.71 0.24 -5.02 120.64 125.83 2k39 n GLU 64 Ca 0.31 0.52 -0.33 0.00 -0.01 0.00 0.00 57.16 57.65 2k39 n GLU 64 Cb 0.14 -4.06 -0.02 0.00 -1.01 0.00 0.00 31.44 26.49 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2k39 s SER 65 N -2.88 6.27 -0.17 1.62 0.01 -0.61 -4.77 113.70 113.17 2k39 s SER 65 Ca 0.00 1.70 -0.05 0.00 1.31 0.00 0.00 55.95 58.91 2k39 s SER 65 Cb 0.00 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2k39 s SER 65 CO 0.00 -0.83 0.00 -0.89 0.41 0.00 0.00 173.24 171.93 2k39 s THR 66 N -2.50 4.20 0.17 1.44 2.01 -1.26 -1.66 115.64 118.05 2k39 s THR 66 Ca 0.61 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.40 2k39 s THR 66 Cb -0.13 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 2k39 s THR 66 CO 0.32 0.47 0.31 -0.76 -0.69 0.00 0.00 174.62 174.27 2k39 s LEU 67 N 0.44 4.33 0.07 4.42 1.02 -0.56 -4.99 118.68 123.41 2k39 s LEU 67 Ca -0.01 0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.28 2k39 s LEU 67 Cb -0.14 -2.91 -0.04 0.00 0.02 0.00 0.00 46.19 43.12 2k39 s LEU 67 CO 0.02 0.02 0.24 -1.00 0.02 0.00 0.00 176.35 175.65 2k39 s HIS 68 N -1.81 3.52 0.14 0.29 3.76 -1.26 -0.51 115.29 119.42 2k39 s HIS 68 Ca 0.35 0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 55.58 2k39 s HIS 68 Cb -0.11 -1.83 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 2k39 s HIS 68 CO 0.29 0.56 0.33 -0.48 -0.85 0.00 0.00 174.74 174.59 2k39 s LEU 69 N -2.45 4.28 -0.06 0.89 0.05 -0.34 -4.50 118.68 116.55 2k39 s LEU 69 Ca 0.35 0.42 -0.03 0.00 0.05 0.00 0.00 54.13 54.92 2k39 s LEU 69 Cb -0.13 -3.15 0.04 0.00 -2.05 0.00 0.00 46.19 40.90 2k39 s LEU 69 CO 0.26 0.05 0.13 -0.69 -0.55 0.00 0.00 176.35 175.55 2k39 s VAL 70 N -1.70 -0.14 0.86 1.48 1.01 -0.85 -4.42 120.40 116.64 2k39 s VAL 70 Ca 0.38 0.27 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 2k39 s VAL 70 Cb -0.12 -0.23 0.12 0.00 0.00 0.00 0.00 36.38 36.15 2k39 s VAL 70 CO 0.27 0.11 1.23 -0.76 0.00 0.00 0.00 175.10 175.95 2k39 s LEU 71 N 1.67 2.60 0.07 3.92 1.43 -1.26 -0.64 118.68 126.47 2k39 s LEU 71 Ca -0.03 0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 53.33 2k39 s LEU 71 Cb -0.12 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 2k39 s LEU 71 CO -0.05 -2.20 1.53 -0.60 0.23 0.00 0.00 176.35 175.26 2k39 s ARG 72 N -5.68 4.24 0.03 1.70 3.52 0.16 -4.72 118.95 118.20 2k39 s ARG 72 Ca 0.66 2.20 0.06 0.00 -0.13 0.00 0.00 55.73 58.52 2k39 s ARG 72 Cb -0.08 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 2k39 s ARG 72 CO 0.50 -0.62 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.68 2k39 s LEU 73 N 2.09 2.13 0.40 -0.88 1.43 -1.26 -5.08 118.68 117.52 2k39 s LEU 73 Ca 0.69 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 2k39 s LEU 73 Cb -0.38 -0.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.92 2k39 s LEU 73 CO 0.30 0.13 1.09 0.00 0.23 0.00 0.00 176.35 178.10 2k39 s ARG 74 N -0.97 4.10 -0.07 1.70 1.70 -1.26 -5.00 118.95 119.16 2k39 s ARG 74 Ca 0.05 1.61 0.16 0.00 -0.47 0.00 0.00 55.73 57.09 2k39 s ARG 74 Cb -0.08 -2.57 0.53 0.00 -0.57 0.00 0.00 34.95 32.26 2k39 s ARG 74 CO 0.01 -0.22 1.45 0.41 -1.08 0.00 0.00 175.30 175.87 2k39 n GLY 75 N 0.44 2.96 0.39 3.88 0.00 -1.26 -5.28 105.19 106.32 2k39 n GLY 75 Ca 0.05 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.41 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93