#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 2.04 -2.39 3.52 4.76 -1.26 -5.01 118.16 119.83 1dj8 n LYS 10 Ca 0.00 -3.11 -0.36 0.00 -2.87 0.00 0.00 58.31 51.97 1dj8 n LYS 10 Cb 0.00 -1.99 -0.02 0.00 -1.84 0.00 0.00 35.03 31.17 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 -3.28 3.85 0.53 1.97 1.02 -1.26 -4.96 119.74 117.62 1dj8 s LYS 11 Ca 0.51 1.62 -0.22 0.00 0.02 0.00 0.00 55.97 57.90 1dj8 s LYS 11 Cb 0.44 -2.37 -0.06 0.00 -0.52 0.00 0.00 37.83 35.33 1dj8 s LYS 11 CO 0.05 -0.44 1.25 -0.35 -0.92 0.00 0.00 175.35 174.95 1dj8 n PRO 12 N -0.50 1.55 0.21 -1.68 -0.04 -1.26 -4.86 135.00 128.42 1dj8 n PRO 12 Ca 0.07 0.57 0.15 0.00 -0.04 0.00 0.00 63.50 64.25 1dj8 n PRO 12 Cb 0.49 -2.44 0.78 0.00 -0.04 0.00 0.00 33.50 32.29 1dj8 n PRO 12 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1dj8 h VAL 13 N 1.33 0.66 0.00 0.52 3.04 -1.98 -0.21 116.25 119.60 1dj8 h VAL 13 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1dj8 h VAL 13 Cb 1.32 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1dj8 h VAL 13 CO 0.56 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.71 1dj8 n ASN 14 N -4.08 0.00 -0.11 3.17 4.13 -1.26 -2.09 115.26 115.02 1dj8 n ASN 14 Ca 0.00 0.38 0.10 0.00 1.68 0.00 0.00 54.58 56.74 1dj8 n ASN 14 Cb 0.25 -0.45 -0.10 0.00 -1.54 0.00 0.00 39.78 37.94 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 -1.45 1.22 -4.77 6.41 7.64 -0.10 -4.78 113.62 117.79 1dj8 n SER 15 Ca 0.06 -1.11 -0.40 0.00 1.01 0.00 0.00 58.87 58.43 1dj8 n SER 15 Cb 0.24 0.89 0.01 0.00 -1.01 0.00 0.00 64.21 64.33 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 -2.88 2.55 0.38 1.43 0.52 -0.89 -4.93 118.94 115.12 1dj8 s TRP 16 Ca 0.10 1.25 0.07 0.00 0.02 0.00 0.00 56.10 57.55 1dj8 s TRP 16 Cb 0.16 -3.92 0.00 0.00 -1.15 0.00 0.00 33.47 28.57 1dj8 s TRP 16 CO 0.80 -2.84 0.53 0.95 0.02 0.00 0.00 176.95 176.42 1dj8 s THR 17 N -1.18 3.54 0.41 2.01 -4.23 -1.26 -0.98 115.64 113.95 1dj8 s THR 17 Ca 0.58 -0.98 0.12 0.00 -1.18 0.00 0.00 61.69 60.22 1dj8 s THR 17 Cb -0.44 -3.21 0.32 0.00 1.34 0.00 0.00 72.50 70.51 1dj8 s THR 17 CO 0.58 -0.08 1.95 0.00 -0.54 0.00 0.00 174.62 176.52 1dj8 h GLU 19 N 0.53 0.94 -0.88 0.00 4.81 -1.40 -0.12 114.58 118.45 1dj8 h GLU 19 Ca 0.32 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1dj8 h GLU 19 Cb 0.56 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1dj8 h GLU 19 CO -0.11 0.73 0.49 -0.44 -0.73 0.00 0.00 179.01 178.95 1dj8 h ASP 20 N 0.91 1.09 -0.59 1.04 3.32 -1.57 -2.52 116.42 118.10 1dj8 h ASP 20 Ca 0.23 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1dj8 h ASP 20 Cb 0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1dj8 h ASP 20 CO -0.03 0.87 -0.00 0.15 -1.72 0.00 0.00 179.24 178.51 1dj8 h PHE 21 N 1.22 1.13 0.00 4.55 3.57 -0.94 -2.44 116.94 124.03 1dj8 h PHE 21 Ca 0.31 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1dj8 h PHE 21 Cb 0.02 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1dj8 h PHE 21 CO 0.01 1.01 0.00 -0.07 -2.23 0.00 0.00 178.31 177.03 1dj8 h LEU 22 N 0.93 0.00 0.00 0.59 3.38 -0.75 -2.02 115.31 117.44 1dj8 h LEU 22 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1dj8 h LEU 22 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1dj8 h LEU 22 CO 0.03 0.00 -0.30 0.00 0.09 0.00 0.00 178.44 178.26 1dj8 n ALA 23 N -1.83 2.73 -1.80 1.53 0.00 -0.92 -4.84 120.51 115.37 1dj8 n ALA 23 Ca 0.01 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1dj8 n ALA 23 Cb 0.21 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 1dj8 n ALA 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dj8 s VAL 24 N -3.08 3.62 0.54 0.00 1.01 -0.76 -4.98 120.40 116.74 1dj8 s VAL 24 Ca 0.10 1.60 -0.22 0.00 0.00 0.00 0.00 61.98 63.46 1dj8 s VAL 24 Cb 0.15 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1dj8 s VAL 24 CO 0.64 0.37 1.26 -0.67 0.00 0.00 0.00 175.10 176.70 1dj8 n ASP 25 N 1.39 2.26 -0.34 3.32 2.03 -1.26 -4.76 116.55 119.18 1dj8 n ASP 25 Ca -0.01 0.96 0.23 0.00 0.52 0.00 0.00 54.79 56.49 1dj8 n ASP 25 Cb 0.45 -1.53 0.50 0.00 -0.72 0.00 0.00 41.12 39.82 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 1.31 0.38 0.00 -0.67 5.08 -1.94 0.14 114.58 118.88 1dj8 h GLU 26 Ca -0.50 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1dj8 h GLU 26 Cb 1.32 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1dj8 h GLU 26 CO 0.56 0.25 -0.01 0.66 -1.00 0.00 0.00 179.01 179.47 1dj8 h SER 27 N 0.39 0.00 -0.06 1.42 4.64 -2.04 -3.07 113.55 114.83 1dj8 h SER 27 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1dj8 h SER 27 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1dj8 h SER 27 CO -0.36 0.01 0.00 0.49 -0.87 0.00 0.00 176.83 176.11 1dj8 n PHE 28 N -3.13 0.07 -0.15 4.77 3.01 0.47 -4.68 117.46 117.82 1dj8 n PHE 28 Ca -0.01 -0.06 -0.05 0.00 1.01 0.00 0.00 57.45 58.34 1dj8 n PHE 28 Cb 0.22 -0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.82 1dj8 n PHE 28 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1dj8 h GLN 29 N 2.49 0.89 -0.23 -1.08 4.20 -1.41 -0.61 115.11 119.36 1dj8 h GLN 29 Ca 0.00 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 1dj8 h GLN 29 Cb 0.56 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1dj8 h GLN 29 CO 0.00 0.85 -0.13 -1.35 -0.67 0.00 0.00 178.83 177.53 1dj8 h PRO 30 N 0.83 0.37 -0.47 1.46 0.11 -1.83 -1.12 132.00 131.36 1dj8 h PRO 30 Ca 0.17 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1dj8 h PRO 30 Cb 0.42 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1dj8 h PRO 30 CO 0.01 0.51 -0.00 1.15 -0.21 0.00 0.00 178.00 179.46 1dj8 h THR 31 N 0.35 1.26 -0.76 -1.15 2.02 -1.66 -0.33 112.91 112.64 1dj8 h THR 31 Ca 0.07 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1dj8 h THR 31 Cb 0.44 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1dj8 h THR 31 CO 0.03 0.37 0.34 0.00 0.37 0.00 0.00 175.52 176.62 1dj8 h ALA 32 N 0.92 0.99 -0.28 6.16 0.00 -0.50 -1.98 119.26 124.57 1dj8 h ALA 32 Ca 0.13 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1dj8 h ALA 32 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dj8 h ALA 32 CO 0.02 0.58 -0.19 0.28 0.00 0.00 0.00 179.25 179.94 1dj8 h VAL 33 N 1.09 1.30 -0.70 0.00 2.07 -1.10 -2.06 116.25 116.85 1dj8 h VAL 33 Ca 0.26 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1dj8 h VAL 33 Cb 0.17 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1dj8 h VAL 33 CO -0.03 0.42 0.39 1.23 0.02 0.00 0.00 177.57 179.60 1dj8 h GLY 34 N 0.35 1.03 0.82 2.17 0.00 -0.97 -0.95 103.07 105.53 1dj8 h GLY 34 Ca 0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1dj8 h GLY 34 CO 0.05 0.43 -0.15 -2.75 0.00 0.00 0.00 176.54 174.13 1dj8 h PHE 35 N 0.98 0.54 -0.46 5.60 3.57 -1.24 -1.79 116.94 124.14 1dj8 h PHE 35 Ca 0.25 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 1dj8 h PHE 35 Cb 0.01 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1dj8 h PHE 35 CO 0.01 0.79 -0.07 0.00 -2.23 0.00 0.00 178.31 176.80 1dj8 h ALA 36 N 0.67 0.63 -0.23 2.41 0.00 -1.17 -0.53 119.26 121.05 1dj8 h ALA 36 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1dj8 h ALA 36 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1dj8 h ALA 36 CO 0.04 0.49 0.13 1.49 0.00 0.00 0.00 179.25 181.40 1dj8 h GLU 37 N 0.70 0.31 -0.01 0.00 4.57 -1.18 -2.56 114.58 116.41 1dj8 h GLU 37 Ca 0.12 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.12 1dj8 h GLU 37 Cb 0.61 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1dj8 h GLU 37 CO 0.04 0.28 -0.68 0.00 -1.18 0.00 0.00 179.01 177.47 1dj8 h ALA 38 N 1.02 0.86 -0.28 2.92 0.00 -1.29 -1.81 119.26 120.68 1dj8 h ALA 38 Ca 0.08 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 1dj8 h ALA 38 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1dj8 h ALA 38 CO -0.01 0.83 -0.33 1.25 0.00 0.00 0.00 179.25 180.99 1dj8 h LEU 39 N 0.03 0.62 -2.34 0.00 5.85 -1.01 -3.26 115.31 115.21 1dj8 h LEU 39 Ca -0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1dj8 h LEU 39 Cb 1.20 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1dj8 h LEU 39 CO 0.09 0.91 0.00 0.59 -0.34 0.00 0.00 178.44 179.69 1dj8 n ASN 40 N -4.07 2.83 -3.12 1.25 3.02 -0.97 -5.03 115.26 109.17 1dj8 n ASN 40 Ca -0.01 -1.85 -0.08 0.00 -0.03 0.00 0.00 54.58 52.61 1dj8 n ASN 40 Cb 0.47 -0.18 0.08 0.00 -0.61 0.00 0.00 39.78 39.54 1dj8 n ASN 40 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1dj8 n ASN 41 N 0.84 -2.33 -4.11 6.41 4.05 -0.68 -4.87 115.26 114.57 1dj8 n ASN 41 Ca 0.13 -0.24 -0.43 0.00 0.45 0.00 0.00 54.58 54.48 1dj8 n ASN 41 Cb 0.44 -0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.13 1dj8 n ASN 41 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1dj8 n LYS 42 N -2.39 3.36 0.00 1.20 4.81 -1.26 -5.00 118.16 118.88 1dj8 n LYS 42 Ca 0.04 -3.43 0.00 0.00 -0.87 0.00 0.00 58.31 54.05 1dj8 n LYS 42 Cb 0.17 -3.10 0.00 0.00 0.02 0.00 0.00 35.03 32.12 1dj8 n LYS 42 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dj8 n ASP 43 N 5.35 0.00 -3.45 3.14 10.43 -1.26 -4.92 116.55 125.85 1dj8 n ASP 43 Ca 0.42 0.00 -0.22 0.00 2.57 0.00 0.00 54.79 57.56 1dj8 n ASP 43 Cb 0.40 0.00 0.06 0.00 1.84 0.00 0.00 41.12 43.41 1dj8 n ASP 43 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1dj8 n LYS 44 N 0.00 -1.74 0.20 -1.24 4.76 -1.26 -4.82 118.16 114.06 1dj8 n LYS 44 Ca 0.00 0.69 0.17 0.00 -2.87 0.00 0.00 58.31 56.31 1dj8 n LYS 44 Cb 0.00 -5.01 0.83 0.00 -1.84 0.00 0.00 35.03 29.01 1dj8 n LYS 44 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1dj8 h PRO 45 N -1.41 0.00 0.00 1.97 0.13 -1.98 -1.01 132.00 129.71 1dj8 h PRO 45 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1dj8 h PRO 45 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1dj8 h PRO 45 CO 0.45 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 1dj8 n GLU 46 N -3.78 0.14 0.00 0.86 4.71 -1.26 -2.77 120.64 118.54 1dj8 n GLU 46 Ca 0.02 0.12 0.02 0.00 -0.01 0.00 0.00 57.16 57.30 1dj8 n GLU 46 Cb 0.33 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.26 1dj8 n GLU 46 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1dj8 n ASP 47 N -1.40 0.69 -4.71 1.62 8.00 -0.40 -5.02 116.55 115.33 1dj8 n ASP 47 Ca 0.07 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.31 1dj8 n ASP 47 Cb 0.21 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 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 -1.00 3.85 -0.06 2.24 0.00 -1.09 -4.99 121.76 120.71 1dj8 s ALA 48 Ca 0.03 1.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.50 1dj8 s ALA 48 Cb 0.04 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1dj8 s ALA 48 CO 0.13 -1.06 -0.02 0.08 0.00 0.00 0.00 175.76 174.89 1dj8 s VAL 49 N 1.93 4.09 -0.49 0.00 1.01 -1.26 -5.07 120.40 120.60 1dj8 s VAL 49 Ca 0.77 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 1dj8 s VAL 49 Cb -0.48 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1dj8 s VAL 49 CO 0.34 0.56 1.02 -0.22 0.00 0.00 0.00 175.10 176.80 1dj8 s LEU 50 N -0.99 3.84 -1.06 3.92 2.96 -1.26 -4.97 118.68 121.12 1dj8 s LEU 50 Ca 0.14 0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 54.06 1dj8 s LEU 50 Cb -0.11 -3.26 0.17 0.00 0.50 0.00 0.00 46.19 43.48 1dj8 s LEU 50 CO 0.03 -1.18 1.24 -0.62 -1.32 0.00 0.00 176.35 174.51 1dj8 s ASP 51 N 2.47 6.89 0.20 3.68 -1.08 -1.26 -4.90 116.67 122.66 1dj8 s ASP 51 Ca 0.40 -2.63 -0.11 0.00 -0.52 0.00 0.00 52.55 49.69 1dj8 s ASP 51 Cb -0.09 -2.37 0.18 0.00 -1.46 0.00 0.00 42.92 39.18 1dj8 s ASP 51 CO 0.27 -0.83 1.82 0.58 0.52 0.00 0.00 175.17 177.53 1dj8 h VAL 52 N 5.08 1.02 -0.19 1.11 2.07 -2.00 -1.17 116.25 122.17 1dj8 h VAL 52 Ca 0.23 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 67.32 1dj8 h VAL 52 Cb 0.95 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1dj8 h VAL 52 CO 1.14 0.13 -0.63 1.56 0.02 0.00 0.00 177.57 179.79 1dj8 h GLN 53 N 0.70 0.68 -0.27 1.57 1.08 -1.99 -1.82 115.11 115.06 1dj8 h GLN 53 Ca 0.27 -0.47 0.02 0.00 -1.45 0.00 0.00 58.65 57.02 1dj8 h GLN 53 Cb 0.10 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1dj8 h GLN 53 CO -0.14 1.09 0.11 0.78 -0.95 0.00 0.00 178.83 179.73 1dj8 h GLY 54 N 0.88 0.34 1.02 3.46 0.00 -1.88 0.43 103.07 107.33 1dj8 h GLY 54 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1dj8 h GLY 54 CO 0.12 0.05 0.23 -2.22 0.00 0.00 0.00 176.54 174.73 1dj8 h ILE 55 N 0.25 1.25 -0.23 2.60 2.04 -1.18 -0.08 117.51 122.15 1dj8 h ILE 55 Ca 0.11 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 1dj8 h ILE 55 Cb 0.06 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1dj8 h ILE 55 CO -0.10 0.32 -0.13 0.00 0.00 0.00 0.00 178.15 178.25 1dj8 h ALA 56 N 1.10 1.35 0.09 1.87 0.00 -0.92 -0.16 119.26 122.59 1dj8 h ALA 56 Ca 0.22 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1dj8 h ALA 56 Cb 0.27 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dj8 h ALA 56 CO -0.01 0.44 -0.92 1.15 0.00 0.00 0.00 179.25 179.91 1dj8 h THR 57 N 0.36 1.40 -0.02 0.00 2.02 -0.53 -3.36 112.91 112.77 1dj8 h THR 57 Ca 0.07 -2.37 -0.22 0.00 0.77 0.00 0.00 66.41 64.66 1dj8 h THR 57 Cb 0.45 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1dj8 h THR 57 CO 0.03 0.70 -0.90 0.58 0.37 0.00 0.00 175.52 176.29 1dj8 h VAL 58 N -0.05 1.38 -0.46 3.16 2.07 -0.87 -3.37 116.25 118.12 1dj8 h VAL 58 Ca -0.14 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 65.12 1dj8 h VAL 58 Cb 1.65 2.33 -0.10 0.00 -1.52 0.00 0.00 31.29 33.65 1dj8 h VAL 58 CO 0.18 0.71 -0.30 0.74 0.02 0.00 0.00 177.57 178.91 1dj8 h THR 59 N 0.27 0.25 -0.31 2.57 2.02 -1.17 -1.26 112.91 115.27 1dj8 h THR 59 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1dj8 h THR 59 Cb 1.53 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1dj8 h THR 59 CO 0.16 0.00 0.21 1.55 0.37 0.00 0.00 175.52 177.80 1dj8 h PRO 60 N -0.20 0.41 -0.15 6.66 0.13 -1.77 -1.70 132.00 135.39 1dj8 h PRO 60 Ca 0.20 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.21 1dj8 h PRO 60 Cb 0.52 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1dj8 h PRO 60 CO -0.57 0.27 -0.31 0.00 -0.23 0.00 0.00 178.00 177.16 1dj8 h ALA 61 N 1.80 1.19 -0.19 -0.56 0.00 -1.42 -2.27 119.26 117.81 1dj8 h ALA 61 Ca 0.11 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1dj8 h ALA 61 Cb -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1dj8 h ALA 61 CO -0.02 0.53 -0.59 0.82 0.00 0.00 0.00 179.25 179.99 1dj8 h ILE 62 N 0.26 1.30 -0.76 0.00 2.04 -0.70 -1.39 117.51 118.26 1dj8 h ILE 62 Ca 0.04 -1.81 0.05 0.00 1.00 0.00 0.00 64.86 64.14 1dj8 h ILE 62 Cb 0.68 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 1dj8 h ILE 62 CO 0.05 0.57 0.46 0.58 0.00 0.00 0.00 178.15 179.81 1dj8 h VAL 63 N 0.45 1.04 -0.22 1.67 2.07 -1.20 0.17 116.25 120.23 1dj8 h VAL 63 Ca -0.02 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1dj8 h VAL 63 Cb 1.21 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1dj8 h VAL 63 CO 0.13 0.16 -0.08 -0.61 0.02 0.00 0.00 177.57 177.19 1dj8 h GLN 64 N 0.86 0.45 -0.82 1.57 5.75 -1.34 -0.14 115.11 121.45 1dj8 h GLN 64 Ca 0.32 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1dj8 h GLN 64 Cb 0.12 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1dj8 h GLN 64 CO -0.15 0.70 0.36 0.00 -2.65 0.00 0.00 178.83 177.09 1dj8 h ALA 65 N 0.73 1.06 -0.34 3.38 0.00 -0.94 -2.45 119.26 120.70 1dj8 h ALA 65 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1dj8 h ALA 65 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1dj8 h ALA 65 CO 0.03 0.66 -0.28 0.00 0.00 0.00 0.00 179.25 179.65 1dj8 h THR 67 N 0.60 1.19 -0.00 0.00 2.02 -0.58 -1.60 112.91 114.55 1dj8 h THR 67 Ca 0.08 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1dj8 h THR 67 Cb 0.78 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1dj8 h THR 67 CO 0.06 0.21 -0.06 0.00 0.37 0.00 0.00 175.52 176.10 1dj8 n GLN 68 N -4.39 0.74 -2.81 6.66 1.13 -0.97 -4.33 117.38 113.41 1dj8 n GLN 68 Ca 0.06 -0.20 -0.10 0.00 -1.94 0.00 0.00 57.00 54.82 1dj8 n GLN 68 Cb 0.09 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 28.98 1dj8 n GLN 68 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1dj8 n ASP 69 N -0.96 -2.37 -0.28 1.08 2.03 -0.66 -5.01 116.55 110.38 1dj8 n ASP 69 Ca 0.16 -3.27 0.21 0.00 0.52 0.00 0.00 54.79 52.42 1dj8 n ASP 69 Cb 0.25 1.48 0.52 0.00 -0.72 0.00 0.00 41.12 42.65 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 3.86 0.37 -0.01 -0.67 1.79 -1.59 -2.04 116.57 118.28 1dj8 h LYS 70 Ca -0.11 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1dj8 h LYS 70 Cb 1.02 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1dj8 h LYS 70 CO 0.33 0.24 -0.05 1.04 -1.08 0.00 0.00 179.45 179.93 1dj8 n GLN 71 N -4.53 1.28 -1.27 3.15 6.02 -1.26 -1.14 117.38 119.62 1dj8 n GLN 71 Ca 0.22 -0.60 -0.31 0.00 -0.01 0.00 0.00 57.00 56.30 1dj8 n GLN 71 Cb 0.79 -1.49 0.10 0.00 1.02 0.00 0.00 30.24 30.67 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 -2.14 2.09 -0.08 -1.58 0.00 -0.77 -4.73 121.76 114.55 1dj8 s ALA 72 Ca 0.37 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1dj8 s ALA 72 Cb 0.21 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 1dj8 s ALA 72 CO 0.39 -1.89 1.12 1.21 0.00 0.00 0.00 175.76 176.58 1dj8 s ASN 73 N -3.44 7.13 0.13 0.00 2.47 -1.26 -0.45 114.94 119.52 1dj8 s ASN 73 Ca 0.62 1.68 -0.24 0.00 0.42 0.00 0.00 52.86 55.33 1dj8 s ASN 73 Cb -0.17 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 37.04 1dj8 s ASN 73 CO 0.56 -0.54 1.64 0.15 -3.72 0.00 0.00 177.10 175.20 1dj8 h PHE 74 N 7.33 -0.59 -0.60 0.43 3.57 -1.27 -2.35 116.94 123.46 1dj8 h PHE 74 Ca -0.32 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.24 1dj8 h PHE 74 Cb 1.15 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 1dj8 h PHE 74 CO 0.73 -0.31 0.40 1.57 -2.23 0.00 0.00 178.31 178.46 1dj8 h LYS 75 N -0.32 0.68 -0.30 1.11 2.10 -1.80 -1.26 116.57 116.77 1dj8 h LYS 75 Ca 0.08 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.58 1dj8 h LYS 75 Cb 0.43 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1dj8 h LYS 75 CO -0.24 0.45 -0.26 -0.44 -2.00 0.00 0.00 179.45 176.95 1dj8 h ASP 76 N 0.70 0.61 -0.64 7.07 3.32 -1.88 -2.49 116.42 123.10 1dj8 h ASP 76 Ca 0.24 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1dj8 h ASP 76 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1dj8 h ASP 76 CO -0.07 0.85 0.05 0.11 -1.72 0.00 0.00 179.24 178.47 1dj8 h LYS 77 N 0.52 1.10 -0.26 3.56 1.79 -0.72 -1.91 116.57 120.63 1dj8 h LYS 77 Ca 0.07 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1dj8 h LYS 77 Cb 0.73 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1dj8 h LYS 77 CO 0.06 1.04 0.15 0.28 -1.08 0.00 0.00 179.45 179.90 1dj8 h VAL 78 N 1.01 1.11 -0.60 0.50 2.07 -1.30 0.46 116.25 119.49 1dj8 h VAL 78 Ca 0.19 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1dj8 h VAL 78 Cb 0.51 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1dj8 h VAL 78 CO 0.02 0.10 0.12 0.50 0.02 0.00 0.00 177.57 178.33 1dj8 h LYS 79 N 0.33 0.96 0.17 1.57 3.64 -1.39 -0.49 116.57 121.37 1dj8 h LYS 79 Ca 0.09 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1dj8 h LYS 79 Cb 0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1dj8 h LYS 79 CO -0.02 0.88 -0.08 0.78 -2.27 0.00 0.00 179.45 178.74 1dj8 h GLY 80 N 1.03 -0.24 0.96 5.01 0.00 -0.92 -0.82 103.07 108.09 1dj8 h GLY 80 Ca 0.19 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1dj8 h GLY 80 CO 0.01 -0.09 0.06 0.83 0.00 0.00 0.00 176.54 177.35 1dj8 h GLU 81 N -0.49 0.76 -0.81 4.80 4.39 -0.89 -1.99 114.58 120.33 1dj8 h GLU 81 Ca -0.02 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1dj8 h GLU 81 Cb 0.38 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1dj8 h GLU 81 CO 0.04 0.78 0.46 2.35 -1.16 0.00 0.00 179.01 181.48 1dj8 h TRP 82 N 0.62 1.11 -0.64 4.33 2.91 -1.13 -2.28 115.95 120.87 1dj8 h TRP 82 Ca 0.14 -0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.08 1dj8 h TRP 82 Cb 0.40 -0.36 -0.03 0.00 -0.51 0.00 0.00 29.16 28.67 1dj8 h TRP 82 CO 0.03 0.76 0.16 -0.44 -1.03 0.00 0.00 178.44 177.93 1dj8 h ASP 83 N 1.13 0.96 0.81 2.65 3.32 -0.82 -1.17 116.42 123.30 1dj8 h ASP 83 Ca 0.29 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1dj8 h ASP 83 Cb 0.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1dj8 h ASP 83 CO -0.05 0.94 -0.66 0.07 -1.72 0.00 0.00 179.24 177.82 1dj8 h LYS 84 N 0.93 0.00 -0.07 3.56 2.10 -1.19 -2.82 116.57 119.09 1dj8 h LYS 84 Ca 0.20 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.78 1dj8 h LYS 84 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1dj8 h LYS 84 CO 0.00 0.66 -0.23 0.82 -2.00 0.00 0.00 179.45 178.69 1dj8 h ILE 85 N 0.00 1.43 -0.14 0.07 1.08 -1.37 -3.16 117.51 115.42 1dj8 h ILE 85 Ca -0.01 -1.63 -0.08 0.00 -0.39 0.00 0.00 64.86 62.76 1dj8 h ILE 85 Cb 1.24 2.31 -0.04 0.00 -3.07 0.00 0.00 36.82 37.25 1dj8 h ILE 85 CO 0.09 0.46 0.10 0.29 -0.69 0.00 0.00 178.15 178.40 1dj8 n LYS 86 N -4.51 1.19 0.00 2.37 4.76 -0.45 -5.11 118.16 116.41 1dj8 n LYS 86 Ca -0.08 -0.44 0.00 0.00 -2.87 0.00 0.00 58.31 54.92 1dj8 n LYS 86 Cb 0.45 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1dj8 n LYS 86 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66