#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dj8 n LYS 10 N 0.00 1.46 -2.40 3.52 4.76 -1.26 -5.04 118.16 119.21 1dj8 n LYS 10 Ca 0.00 -2.76 -0.38 0.00 -2.87 0.00 0.00 58.31 52.30 1dj8 n LYS 10 Cb 0.00 -1.56 -0.03 0.00 -1.84 0.00 0.00 35.03 31.61 1dj8 n LYS 10 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1dj8 s LYS 11 N -2.96 4.13 0.58 1.97 1.02 -1.26 -4.99 119.74 118.23 1dj8 s LYS 11 Ca 0.34 1.71 -0.19 0.00 0.02 0.00 0.00 55.97 57.85 1dj8 s LYS 11 Cb 0.31 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1dj8 s LYS 11 CO 0.01 -0.22 1.20 -1.25 -0.92 0.00 0.00 175.35 174.17 1dj8 s PRO 12 N -2.31 3.06 0.39 -1.68 0.04 -1.26 -4.90 135.00 128.33 1dj8 s PRO 12 Ca 0.57 1.80 0.06 0.00 0.04 0.00 0.00 61.00 63.46 1dj8 s PRO 12 Cb -0.28 -1.96 0.78 0.00 0.04 0.00 0.00 34.50 33.08 1dj8 s PRO 12 CO 0.35 -1.13 2.02 -0.24 0.04 0.00 0.00 177.00 178.04 1dj8 h VAL 13 N 0.98 1.13 0.00 -0.36 3.04 -1.99 -1.27 116.25 117.77 1dj8 h VAL 13 Ca -0.50 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 1dj8 h VAL 13 Cb 1.29 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1dj8 h VAL 13 CO 0.56 0.14 0.00 0.59 -1.01 0.00 0.00 177.57 177.85 1dj8 n ASN 14 N -4.43 0.06 -0.19 3.17 4.13 -1.26 -1.60 115.26 115.14 1dj8 n ASN 14 Ca 0.03 0.52 0.10 0.00 1.68 0.00 0.00 54.58 56.91 1dj8 n ASN 14 Cb 0.09 -0.53 -0.07 0.00 -1.54 0.00 0.00 39.78 37.73 1dj8 n ASN 14 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1dj8 n SER 15 N -1.57 1.34 -4.77 6.41 7.64 -0.48 -4.84 113.62 117.34 1dj8 n SER 15 Ca 0.02 -1.17 -0.40 0.00 1.01 0.00 0.00 58.87 58.33 1dj8 n SER 15 Cb 0.11 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1dj8 n SER 15 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1dj8 s TRP 16 N -2.65 2.59 0.43 1.43 0.52 -0.63 -4.95 118.94 115.68 1dj8 s TRP 16 Ca 0.11 1.23 0.06 0.00 0.02 0.00 0.00 56.10 57.52 1dj8 s TRP 16 Cb 0.16 -3.94 0.01 0.00 -1.15 0.00 0.00 33.47 28.54 1dj8 s TRP 16 CO 0.70 -2.84 0.59 0.95 0.02 0.00 0.00 176.95 176.37 1dj8 s THR 17 N -1.16 3.29 0.28 2.01 -4.23 -1.26 -1.72 115.64 112.85 1dj8 s THR 17 Ca 0.55 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 1dj8 s THR 17 Cb -0.45 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.53 1dj8 s THR 17 CO 0.59 -0.07 1.85 0.00 -0.54 0.00 0.00 174.62 176.46 1dj8 h GLU 19 N 1.04 0.95 -0.79 0.00 4.81 -1.53 0.34 114.58 119.40 1dj8 h GLU 19 Ca 0.47 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1dj8 h GLU 19 Cb 0.40 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1dj8 h GLU 19 CO -0.23 0.63 0.39 -0.44 -0.73 0.00 0.00 179.01 178.63 1dj8 h ASP 20 N 0.98 1.01 -0.48 1.04 3.32 -1.47 -2.81 116.42 118.02 1dj8 h ASP 20 Ca 0.37 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1dj8 h ASP 20 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1dj8 h ASP 20 CO -0.16 0.84 0.03 0.15 -1.72 0.00 0.00 179.24 178.37 1dj8 h PHE 21 N 1.11 0.90 0.00 4.55 3.57 -0.49 -2.53 116.94 124.04 1dj8 h PHE 21 Ca 0.27 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1dj8 h PHE 21 Cb 0.09 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1dj8 h PHE 21 CO 0.01 0.85 0.00 1.28 -2.23 0.00 0.00 178.31 178.22 1dj8 n LEU 22 N -4.37 0.21 0.15 0.59 4.77 -0.08 -2.33 117.00 115.93 1dj8 n LEU 22 Ca 0.01 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 1dj8 n LEU 22 Cb 0.29 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1dj8 n LEU 22 CO 0.41 -0.44 0.36 0.00 -1.33 0.00 0.00 177.39 176.39 1dj8 h ALA 23 N 2.30 0.73 -2.67 -1.18 0.00 -1.19 -3.46 119.26 113.78 1dj8 h ALA 23 Ca 0.00 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.27 1dj8 h ALA 23 Cb 0.20 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1dj8 h ALA 23 CO 0.00 0.15 0.53 0.08 0.00 0.00 0.00 179.25 180.01 1dj8 s VAL 24 N -3.22 3.65 0.39 0.00 1.01 -0.98 -4.98 120.40 116.27 1dj8 s VAL 24 Ca 0.03 1.42 -0.25 0.00 0.00 0.00 0.00 61.98 63.18 1dj8 s VAL 24 Cb 0.07 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 1dj8 s VAL 24 CO 0.74 0.24 0.89 -0.67 0.00 0.00 0.00 175.10 176.30 1dj8 n ASP 25 N 2.36 0.70 -0.30 3.32 2.03 -1.26 -4.72 116.55 118.68 1dj8 n ASP 25 Ca 0.03 1.03 -0.10 0.00 0.52 0.00 0.00 54.79 56.28 1dj8 n ASP 25 Cb 0.45 -1.27 -0.07 0.00 -0.72 0.00 0.00 41.12 39.51 1dj8 n ASP 25 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1dj8 h GLU 26 N 1.43 -0.14 0.00 -0.67 3.07 -1.96 -0.51 114.58 115.80 1dj8 h GLU 26 Ca -0.42 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1dj8 h GLU 26 Cb 1.36 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1dj8 h GLU 26 CO 0.56 -0.10 0.04 0.66 -1.40 0.00 0.00 179.01 178.78 1dj8 h SER 27 N -0.15 0.00 0.05 1.42 4.64 -2.05 -2.11 113.55 115.35 1dj8 h SER 27 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1dj8 h SER 27 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1dj8 h SER 27 CO -0.81 0.00 -1.32 0.49 -0.87 0.00 0.00 176.83 174.33 1dj8 n PHE 28 N -2.49 0.02 -0.31 4.77 0.99 -0.22 -4.60 117.46 115.63 1dj8 n PHE 28 Ca -0.02 0.01 0.01 0.00 -0.00 0.00 0.00 57.45 57.45 1dj8 n PHE 28 Cb 0.09 -0.20 0.14 0.00 -1.00 0.00 0.00 39.48 38.50 1dj8 n PHE 28 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1dj8 h GLN 29 N 0.00 0.93 -0.57 -1.08 4.20 -1.10 -2.40 115.11 115.10 1dj8 h GLN 29 Ca 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1dj8 h GLN 29 Cb 0.68 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1dj8 h GLN 29 CO 0.00 0.62 0.30 -1.00 -0.67 0.00 0.00 178.83 178.08 1dj8 h PRO 30 N 0.96 0.79 -0.32 1.46 0.13 -1.81 -1.48 132.00 131.72 1dj8 h PRO 30 Ca 0.37 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.40 1dj8 h PRO 30 Cb 0.17 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1dj8 h PRO 30 CO -0.17 0.59 0.14 1.15 -0.23 0.00 0.00 178.00 179.48 1dj8 h THR 31 N 0.79 1.17 -0.60 1.56 2.02 -1.73 -1.03 112.91 115.09 1dj8 h THR 31 Ca 0.20 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1dj8 h THR 31 Cb 0.04 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1dj8 h THR 31 CO -0.03 0.18 0.38 0.00 0.37 0.00 0.00 175.52 176.42 1dj8 h ALA 32 N 0.99 0.76 -0.48 6.16 0.00 -1.11 -1.37 119.26 124.20 1dj8 h ALA 32 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1dj8 h ALA 32 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1dj8 h ALA 32 CO -0.01 0.21 0.22 0.28 0.00 0.00 0.00 179.25 179.96 1dj8 h VAL 33 N 0.81 1.19 -0.44 0.00 2.07 -1.07 -1.29 116.25 117.52 1dj8 h VAL 33 Ca 0.22 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1dj8 h VAL 33 Cb -0.07 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1dj8 h VAL 33 CO -0.04 0.22 0.11 1.23 0.02 0.00 0.00 177.57 179.10 1dj8 h GLY 34 N 0.64 0.75 0.88 2.17 0.00 -1.00 0.15 103.07 106.66 1dj8 h GLY 34 Ca 0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1dj8 h GLY 34 CO -0.02 0.44 0.07 -2.75 0.00 0.00 0.00 176.54 174.28 1dj8 h PHE 35 N 0.58 0.37 -0.68 5.60 3.57 -1.20 -2.15 116.94 123.03 1dj8 h PHE 35 Ca 0.14 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1dj8 h PHE 35 Cb 0.31 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1dj8 h PHE 35 CO 0.02 0.44 0.27 0.00 -2.23 0.00 0.00 178.31 176.81 1dj8 h ALA 36 N 0.90 0.89 0.18 2.41 0.00 -1.10 -0.98 119.26 121.56 1dj8 h ALA 36 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1dj8 h ALA 36 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dj8 h ALA 36 CO -0.00 0.51 -0.09 1.49 0.00 0.00 0.00 179.25 181.16 1dj8 h GLU 37 N 0.97 -0.23 -0.72 0.00 4.57 -0.84 -3.05 114.58 115.29 1dj8 h GLU 37 Ca 0.23 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.38 1dj8 h GLU 37 Cb 0.21 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1dj8 h GLU 37 CO -0.02 -0.13 0.27 0.00 -1.18 0.00 0.00 179.01 177.95 1dj8 h ALA 38 N 0.55 0.93 -0.29 2.92 0.00 -1.30 -0.41 119.26 121.66 1dj8 h ALA 38 Ca -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1dj8 h ALA 38 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1dj8 h ALA 38 CO 0.04 0.57 0.20 1.25 0.00 0.00 0.00 179.25 181.31 1dj8 h LEU 39 N 1.03 0.32 -1.86 0.00 5.85 -1.15 -3.03 115.31 116.47 1dj8 h LEU 39 Ca 0.24 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1dj8 h LEU 39 Cb 0.24 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1dj8 h LEU 39 CO -0.02 0.23 0.00 0.59 -0.34 0.00 0.00 178.44 178.90 1dj8 n ASN 40 N -4.49 2.02 0.21 1.25 3.02 -1.14 -4.81 115.26 111.31 1dj8 n ASN 40 Ca 0.02 -1.56 0.13 0.00 -0.03 0.00 0.00 54.58 53.13 1dj8 n ASN 40 Cb 0.08 -0.06 0.69 0.00 -0.61 0.00 0.00 39.78 39.89 1dj8 n ASN 40 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1dj8 h ASN 41 N 1.57 0.00 -6.08 6.41 -1.24 -0.94 -3.48 115.58 111.82 1dj8 h ASN 41 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1dj8 h ASN 41 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1dj8 h ASN 41 CO 0.00 0.00 -0.40 0.29 -1.29 0.00 0.00 177.43 176.03 1dj8 n LYS 42 N -2.42 -0.85 0.00 6.67 4.76 -1.26 -4.99 118.16 120.07 1dj8 n LYS 42 Ca -0.02 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.44 1dj8 n LYS 42 Cb 0.10 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1dj8 n LYS 42 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1dj8 n ASP 43 N 2.01 0.00 -4.54 4.39 8.00 -1.26 -5.10 116.55 120.04 1dj8 n ASP 43 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1dj8 n ASP 43 Cb 0.20 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.19 1dj8 n ASP 43 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1dj8 s LYS 44 N 1.26 3.84 0.32 -1.24 -0.14 -1.26 -4.97 119.74 117.54 1dj8 s LYS 44 Ca 0.00 -0.39 0.09 0.00 -1.36 0.00 0.00 55.97 54.31 1dj8 s LYS 44 Cb 0.00 -3.42 0.84 0.00 -1.68 0.00 0.00 37.83 33.57 1dj8 s LYS 44 CO 0.00 -0.07 1.76 -1.00 -0.76 0.00 0.00 175.35 175.28 1dj8 h PRO 45 N 7.89 0.63 -0.01 -1.68 0.13 -1.99 0.40 132.00 137.37 1dj8 h PRO 45 Ca -0.37 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1dj8 h PRO 45 Cb 1.18 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1dj8 h PRO 45 CO 0.60 0.42 0.24 0.93 -0.23 0.00 0.00 178.00 179.96 1dj8 h GLU 46 N 0.65 0.00 0.00 0.86 3.07 -2.07 -1.59 114.58 115.50 1dj8 h GLU 46 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1dj8 h GLU 46 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1dj8 h GLU 46 CO -0.42 0.00 -0.93 -0.25 -1.40 0.00 0.00 179.01 176.01 1dj8 n ASP 47 N -2.97 0.85 -4.70 1.42 8.00 0.14 -4.99 116.55 114.29 1dj8 n ASP 47 Ca -0.02 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.36 1dj8 n ASP 47 Cb 0.30 1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 42.51 1dj8 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dj8 s ALA 48 N -2.60 3.84 -0.01 2.24 0.00 -0.60 -4.98 121.76 119.65 1dj8 s ALA 48 Ca 0.04 1.52 0.04 0.00 0.00 0.00 0.00 51.96 53.55 1dj8 s ALA 48 Cb 0.11 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1dj8 s ALA 48 CO 0.65 -1.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.26 1dj8 s VAL 49 N 2.16 3.33 -0.25 0.00 1.01 -1.26 -5.07 120.40 120.31 1dj8 s VAL 49 Ca 0.79 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1dj8 s VAL 49 Cb -0.48 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1dj8 s VAL 49 CO 0.35 0.44 -0.05 -0.22 0.00 0.00 0.00 175.10 175.62 1dj8 s LEU 50 N -1.22 3.21 -0.53 3.92 2.96 -1.26 -5.07 118.68 120.70 1dj8 s LEU 50 Ca 0.15 -0.84 -0.17 0.00 -0.22 0.00 0.00 54.13 53.05 1dj8 s LEU 50 Cb -0.11 -1.68 0.10 0.00 0.50 0.00 0.00 46.19 45.01 1dj8 s LEU 50 CO 0.05 -0.13 0.51 -0.62 -1.32 0.00 0.00 176.35 174.85 1dj8 s ASP 51 N 1.34 6.18 0.40 3.68 -1.08 -1.26 -4.95 116.67 120.99 1dj8 s ASP 51 Ca 0.01 -1.53 0.07 0.00 -0.52 0.00 0.00 52.55 50.58 1dj8 s ASP 51 Cb -0.17 -2.22 0.85 0.00 -1.46 0.00 0.00 42.92 39.92 1dj8 s ASP 51 CO -0.04 -0.84 2.04 0.58 0.52 0.00 0.00 175.17 177.43 1dj8 h VAL 52 N 5.85 1.09 -0.23 1.11 2.07 -2.00 0.14 116.25 124.29 1dj8 h VAL 52 Ca -0.29 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1dj8 h VAL 52 Cb 1.10 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1dj8 h VAL 52 CO 1.00 0.11 -0.35 -0.61 0.02 0.00 0.00 177.57 177.73 1dj8 h GLN 53 N 0.59 0.50 -0.59 1.57 4.15 -2.00 -2.16 115.11 117.17 1dj8 h GLN 53 Ca 0.18 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1dj8 h GLN 53 Cb 0.01 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1dj8 h GLN 53 CO -0.04 0.78 0.26 0.78 -1.93 0.00 0.00 178.83 178.68 1dj8 h GLY 54 N 1.07 0.92 0.90 2.39 0.00 -1.17 -1.82 103.07 105.37 1dj8 h GLY 54 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1dj8 h GLY 54 CO 0.07 0.45 0.10 -2.22 0.00 0.00 0.00 176.54 174.94 1dj8 h ILE 55 N 0.80 1.19 -0.78 2.60 1.08 -1.17 0.17 117.51 121.40 1dj8 h ILE 55 Ca 0.20 -0.58 0.12 0.00 -0.39 0.00 0.00 64.86 64.21 1dj8 h ILE 55 Cb 0.15 1.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.87 1dj8 h ILE 55 CO -0.02 0.19 0.39 0.00 -0.69 0.00 0.00 178.15 178.02 1dj8 h ALA 56 N 0.94 1.12 0.03 1.87 0.00 -1.05 -0.41 119.26 121.76 1dj8 h ALA 56 Ca 0.09 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1dj8 h ALA 56 Cb 0.21 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dj8 h ALA 56 CO -0.01 -0.07 -0.46 1.15 0.00 0.00 0.00 179.25 179.86 1dj8 h THR 57 N 0.60 1.54 0.00 0.00 2.02 -1.15 -3.37 112.91 112.55 1dj8 h THR 57 Ca 0.41 -2.18 -0.12 0.00 0.77 0.00 0.00 66.41 65.29 1dj8 h THR 57 Cb 0.51 2.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 1dj8 h THR 57 CO -0.32 0.61 -0.57 1.62 0.37 0.00 0.00 175.52 177.22 1dj8 h VAL 58 N -0.42 1.27 0.09 3.16 3.04 -0.51 -3.23 116.25 119.65 1dj8 h VAL 58 Ca -0.07 -2.06 0.01 0.00 -1.01 0.00 0.00 66.70 63.57 1dj8 h VAL 58 Cb 1.25 2.15 -0.01 0.00 -2.01 0.00 0.00 31.29 32.67 1dj8 h VAL 58 CO 0.09 0.56 -0.12 0.74 -1.01 0.00 0.00 177.57 177.83 1dj8 h THR 59 N 0.00 0.73 -0.48 3.17 2.02 -1.23 -1.08 112.91 116.04 1dj8 h THR 59 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1dj8 h THR 59 Cb 1.11 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1dj8 h THR 59 CO 0.07 0.00 0.15 1.55 0.37 0.00 0.00 175.52 177.67 1dj8 h PRO 60 N -0.25 0.70 -0.62 6.66 0.13 -1.74 -0.73 132.00 136.15 1dj8 h PRO 60 Ca 0.01 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1dj8 h PRO 60 Cb 0.25 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 1dj8 h PRO 60 CO -0.05 0.61 0.32 0.00 -0.23 0.00 0.00 178.00 178.65 1dj8 h ALA 61 N 1.49 1.41 -0.37 -0.56 0.00 -1.47 -0.84 119.26 118.91 1dj8 h ALA 61 Ca 0.16 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1dj8 h ALA 61 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1dj8 h ALA 61 CO -0.01 0.48 -0.37 0.82 0.00 0.00 0.00 179.25 180.17 1dj8 h ILE 62 N 0.86 1.27 -0.98 0.00 2.04 -0.47 0.14 117.51 120.38 1dj8 h ILE 62 Ca 0.22 -1.55 0.01 0.00 1.00 0.00 0.00 64.86 64.54 1dj8 h ILE 62 Cb 0.05 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1dj8 h ILE 62 CO -0.03 0.52 0.64 0.58 0.00 0.00 0.00 178.15 179.85 1dj8 h VAL 63 N 0.73 1.26 -0.29 1.67 2.07 -0.61 0.22 116.25 121.30 1dj8 h VAL 63 Ca 0.06 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1dj8 h VAL 63 Cb 0.96 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1dj8 h VAL 63 CO 0.09 0.25 -0.18 -0.61 0.02 0.00 0.00 177.57 177.14 1dj8 h GLN 64 N 1.34 0.64 -0.54 1.57 5.75 -0.87 -1.12 115.11 121.87 1dj8 h GLN 64 Ca 0.36 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1dj8 h GLN 64 Cb -0.13 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1dj8 h GLN 64 CO -0.07 0.89 0.17 0.00 -2.65 0.00 0.00 178.83 177.17 1dj8 h ALA 65 N 0.74 0.71 -0.58 3.38 0.00 -0.65 -2.57 119.26 120.28 1dj8 h ALA 65 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1dj8 h ALA 65 Cb 0.72 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1dj8 h ALA 65 CO 0.05 0.37 -0.01 0.00 0.00 0.00 0.00 179.25 179.66 1dj8 h THR 67 N 0.93 0.94 -0.00 0.00 2.02 -0.98 -1.57 112.91 114.25 1dj8 h THR 67 Ca 0.16 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1dj8 h THR 67 Cb 0.57 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1dj8 h THR 67 CO 0.03 0.16 -0.03 0.00 0.37 0.00 0.00 175.52 176.05 1dj8 n GLN 68 N -4.56 0.54 -2.77 6.66 6.02 -0.99 -4.36 117.38 117.93 1dj8 n GLN 68 Ca 0.17 -0.06 -0.08 0.00 -0.01 0.00 0.00 57.00 57.02 1dj8 n GLN 68 Cb 0.34 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.14 1dj8 n GLN 68 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1dj8 n ASP 69 N -1.17 -2.95 0.13 1.08 2.03 -0.63 -5.02 116.55 110.01 1dj8 n ASP 69 Ca 0.15 -3.21 0.11 0.00 0.52 0.00 0.00 54.79 52.37 1dj8 n ASP 69 Cb 0.24 1.76 0.62 0.00 -0.72 0.00 0.00 41.12 43.02 1dj8 n ASP 69 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1dj8 h LYS 70 N 4.23 0.08 0.00 -0.67 1.79 -1.64 -2.54 116.57 117.82 1dj8 h LYS 70 Ca -0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1dj8 h LYS 70 Cb 1.04 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1dj8 h LYS 70 CO 0.26 0.06 0.00 1.04 -1.08 0.00 0.00 179.45 179.73 1dj8 n GLN 71 N -4.48 0.10 -1.39 3.15 6.02 -1.26 -1.50 117.38 118.01 1dj8 n GLN 71 Ca 0.02 0.02 -0.32 0.00 -0.01 0.00 0.00 57.00 56.72 1dj8 n GLN 71 Cb 0.26 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.10 1dj8 n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dj8 s ALA 72 N -2.90 2.27 -0.03 -1.58 0.00 -0.96 -4.73 121.76 113.84 1dj8 s ALA 72 Ca 0.17 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1dj8 s ALA 72 Cb 0.18 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1dj8 s ALA 72 CO 0.49 -1.67 1.10 1.21 0.00 0.00 0.00 175.76 176.89 1dj8 s ASN 73 N -3.04 7.17 0.08 0.00 2.47 -1.26 -0.43 114.94 119.94 1dj8 s ASN 73 Ca 0.64 1.76 -0.36 0.00 0.42 0.00 0.00 52.86 55.31 1dj8 s ASN 73 Cb -0.19 -2.56 -0.18 0.00 -1.45 0.00 0.00 41.25 36.87 1dj8 s ASN 73 CO 0.51 -0.45 1.57 0.15 -3.72 0.00 0.00 177.10 175.15 1dj8 h PHE 74 N 7.09 -1.36 -0.80 0.43 3.57 -1.55 -2.67 116.94 121.64 1dj8 h PHE 74 Ca -0.37 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.28 1dj8 h PHE 74 Cb 1.18 0.52 -0.06 0.00 2.79 0.00 0.00 35.95 40.38 1dj8 h PHE 74 CO 0.70 -0.69 0.53 1.57 -2.23 0.00 0.00 178.31 178.19 1dj8 h LYS 75 N -1.07 0.52 -0.38 1.11 -0.00 -1.82 -0.58 116.57 114.34 1dj8 h LYS 75 Ca -0.08 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.65 60.41 1dj8 h LYS 75 Cb 0.90 -0.12 -0.01 0.00 -0.00 0.00 0.00 32.23 33.00 1dj8 h LYS 75 CO -0.01 0.34 -0.29 -0.44 -0.00 0.00 0.00 179.45 179.05 1dj8 h ASP 76 N 0.53 0.85 -0.19 7.07 3.32 -1.91 -2.01 116.42 124.08 1dj8 h ASP 76 Ca 0.39 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1dj8 h ASP 76 Cb 0.77 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1dj8 h ASP 76 CO -0.15 1.08 -0.22 0.11 -1.72 0.00 0.00 179.24 178.34 1dj8 h LYS 77 N 0.70 0.65 0.32 3.56 1.79 -0.82 -0.47 116.57 122.29 1dj8 h LYS 77 Ca 0.08 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1dj8 h LYS 77 Cb 0.83 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1dj8 h LYS 77 CO 0.07 0.82 -0.28 0.28 -1.08 0.00 0.00 179.45 179.26 1dj8 h VAL 78 N 0.57 0.41 -0.97 0.50 2.07 -0.97 -0.01 116.25 117.85 1dj8 h VAL 78 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1dj8 h VAL 78 Cb 0.69 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1dj8 h VAL 78 CO 0.05 0.00 0.64 0.50 0.02 0.00 0.00 177.57 178.78 1dj8 h LYS 79 N -0.61 1.20 0.03 1.57 3.64 -1.15 -2.31 116.57 118.93 1dj8 h LYS 79 Ca -0.02 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1dj8 h LYS 79 Cb 0.55 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1dj8 h LYS 79 CO -0.04 0.80 -0.02 0.78 -2.27 0.00 0.00 179.45 178.70 1dj8 h GLY 80 N 1.24 -0.05 1.12 5.01 0.00 -0.48 -1.73 103.07 108.19 1dj8 h GLY 80 Ca 0.38 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.64 1dj8 h GLY 80 CO -0.11 -0.02 0.05 0.83 0.00 0.00 0.00 176.54 177.29 1dj8 h GLU 81 N -0.19 1.06 -0.52 4.80 4.39 -0.96 -2.87 114.58 120.28 1dj8 h GLU 81 Ca -0.00 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 1dj8 h GLU 81 Cb 0.18 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1dj8 h GLU 81 CO 0.01 1.00 0.14 2.35 -1.16 0.00 0.00 179.01 181.35 1dj8 h TRP 82 N 0.98 0.86 -1.15 4.33 -0.00 -1.43 -3.15 115.95 116.40 1dj8 h TRP 82 Ca 0.19 -0.10 -0.66 0.00 -0.00 0.00 0.00 58.89 58.32 1dj8 h TRP 82 Cb 0.49 -0.25 -0.10 0.00 -0.00 0.00 0.00 29.16 29.30 1dj8 h TRP 82 CO 0.03 0.75 1.83 -0.51 -0.00 0.00 0.00 178.44 180.55 1dj8 s ASP 83 N -6.15 6.75 0.00 2.65 1.01 -0.65 -2.43 116.67 117.85 1dj8 s ASP 83 Ca -0.13 -2.17 0.00 0.00 0.71 0.00 0.00 52.55 50.96 1dj8 s ASP 83 Cb 0.12 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1dj8 s ASP 83 CO 0.80 -1.23 0.00 0.29 0.21 0.00 0.00 175.17 175.24 1dj8 n LYS 84 N 8.18 0.00 0.00 8.23 5.02 -1.22 -4.77 118.16 133.61 1dj8 n LYS 84 Ca 0.41 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.73 1dj8 n LYS 84 Cb 0.47 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.61 1dj8 n LYS 84 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1dj8 n ILE 85 N 0.00 0.00 0.00 -0.18 2.08 -1.02 -3.50 119.36 116.74 1dj8 n ILE 85 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1dj8 n ILE 85 Cb 0.00 -0.34 0.00 0.00 -0.75 0.00 0.00 39.64 38.55 1dj8 n ILE 85 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1dj8 n LYS 86 N -0.62 0.00 0.00 0.38 4.76 -1.20 -5.11 118.16 116.38 1dj8 n LYS 86 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1dj8 n LYS 86 Cb 0.01 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 1dj8 n LYS 86 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66