#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 1.04 -2.43 1.20 4.76 -1.26 -5.02 118.16 116.45 1dj8 n LYS 10 Ca 0.00 -0.08 -0.40 0.00 -2.87 0.00 0.00 58.31 54.96 1dj8 n LYS 10 Cb 0.00 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 1dj8 n LYS 10 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1dj8 s LYS 11 N -2.67 4.60 0.40 1.97 2.20 -1.26 -4.96 119.74 120.01 1dj8 s LYS 11 Ca -0.05 1.85 -0.27 0.00 -0.36 0.00 0.00 55.97 57.14 1dj8 s LYS 11 Cb 0.07 -3.18 -0.10 0.00 -1.51 0.00 0.00 37.83 33.10 1dj8 s LYS 11 CO 0.54 0.15 1.37 -2.30 -0.36 0.00 0.00 175.35 174.74 1dj8 n PRO 12 N 1.29 2.26 0.01 4.03 -0.02 -1.26 -4.84 135.00 136.47 1dj8 n PRO 12 Ca -0.01 0.80 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 1dj8 n PRO 12 Cb 0.44 -2.51 0.57 0.00 -0.02 0.00 0.00 33.50 31.99 1dj8 n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1dj8 h VAL 13 N 2.48 0.89 0.00 -1.45 2.07 -1.98 -0.93 116.25 117.33 1dj8 h VAL 13 Ca -0.49 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1dj8 h VAL 13 Cb 1.27 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1dj8 h VAL 13 CO 0.62 0.04 0.00 0.59 0.02 0.00 0.00 177.57 178.84 1dj8 n ASN 14 N -4.46 0.00 -0.06 0.57 4.13 -1.26 -1.93 115.26 112.25 1dj8 n ASN 14 Ca 0.07 -0.25 0.06 0.00 1.68 0.00 0.00 54.58 56.14 1dj8 n ASN 14 Cb 0.35 -0.19 -0.06 0.00 -1.54 0.00 0.00 39.78 38.34 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 -1.19 0.78 -4.76 6.41 7.64 -0.36 -4.87 113.62 117.27 1dj8 n SER 15 Ca 0.12 -0.89 -0.39 0.00 1.01 0.00 0.00 58.87 58.72 1dj8 n SER 15 Cb 0.13 0.90 0.02 0.00 -1.01 0.00 0.00 64.21 64.26 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 -2.15 2.44 0.46 1.43 0.52 -0.81 -4.93 118.94 115.90 1dj8 s TRP 16 Ca 0.06 1.30 0.08 0.00 0.02 0.00 0.00 56.10 57.56 1dj8 s TRP 16 Cb 0.10 -3.87 0.03 0.00 -1.15 0.00 0.00 33.47 28.58 1dj8 s TRP 16 CO 0.51 -2.86 0.63 0.95 0.02 0.00 0.00 176.95 176.20 1dj8 s THR 17 N -1.24 2.82 0.32 2.01 -4.23 -1.26 -1.52 115.64 112.54 1dj8 s THR 17 Ca 0.64 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1dj8 s THR 17 Cb -0.42 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 70.75 1dj8 s THR 17 CO 0.53 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.51 1dj8 h GLU 19 N 0.73 1.15 -0.28 0.00 4.81 -1.63 -0.23 114.58 119.14 1dj8 h GLU 19 Ca 0.17 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1dj8 h GLU 19 Cb 0.18 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1dj8 h GLU 19 CO -0.01 0.81 0.10 -0.44 -0.73 0.00 0.00 179.01 178.74 1dj8 h ASP 20 N 1.17 0.39 -0.84 1.04 3.32 -1.59 -2.86 116.42 117.06 1dj8 h ASP 20 Ca 0.31 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1dj8 h ASP 20 Cb -0.04 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 1dj8 h ASP 20 CO -0.06 0.47 0.55 0.15 -1.72 0.00 0.00 179.24 178.64 1dj8 h PHE 21 N 0.30 1.02 0.00 4.55 3.57 -0.87 -2.47 116.94 123.04 1dj8 h PHE 21 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1dj8 h PHE 21 Cb 0.21 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 1dj8 h PHE 21 CO -0.00 0.60 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.53 1dj8 h LEU 22 N 1.07 0.00 0.00 0.59 3.38 -0.83 -1.98 115.31 117.54 1dj8 h LEU 22 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1dj8 h LEU 22 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1dj8 h LEU 22 CO -0.09 0.08 -0.09 0.00 0.09 0.00 0.00 178.44 178.43 1dj8 n ALA 23 N -2.24 2.53 -1.92 1.53 0.00 -0.93 -4.84 120.51 114.65 1dj8 n ALA 23 Ca -0.02 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1dj8 n ALA 23 Cb 0.21 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.01 3.45 0.19 0.00 1.01 -0.75 -4.93 120.40 116.36 1dj8 s VAL 24 Ca 0.13 1.32 -0.33 0.00 0.00 0.00 0.00 61.98 63.10 1dj8 s VAL 24 Cb 0.18 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 1dj8 s VAL 24 CO 0.57 0.26 1.54 -0.67 0.00 0.00 0.00 175.10 176.80 1dj8 n ASP 25 N 1.87 3.12 -0.28 3.32 2.03 -1.26 -4.77 116.55 120.58 1dj8 n ASP 25 Ca 0.02 1.10 0.10 0.00 0.52 0.00 0.00 54.79 56.53 1dj8 n ASP 25 Cb 0.44 -1.45 0.21 0.00 -0.72 0.00 0.00 41.12 39.60 1dj8 n ASP 25 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1dj8 n GLU 26 N 2.99 -0.07 0.33 -0.67 1.02 -1.26 -0.18 120.64 122.80 1dj8 n GLU 26 Ca 0.15 1.23 0.20 0.00 -0.02 0.00 0.00 57.16 58.72 1dj8 n GLU 26 Cb 0.30 -1.92 1.12 0.00 -0.02 0.00 0.00 31.44 30.93 1dj8 n GLU 26 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1dj8 h SER 27 N 0.00 0.00 -0.24 1.62 0.02 -2.04 -2.50 113.55 110.41 1dj8 h SER 27 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1dj8 h SER 27 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1dj8 h SER 27 CO -0.78 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 175.40 1dj8 n PHE 28 N -3.33 0.36 -0.16 3.45 3.01 0.75 -4.65 117.46 116.89 1dj8 n PHE 28 Ca -0.03 -0.53 -0.10 0.00 1.01 0.00 0.00 57.45 57.79 1dj8 n PHE 28 Cb 0.08 -0.05 -0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 1.44 0.79 -0.39 -1.08 4.20 -1.26 -2.16 115.11 116.66 1dj8 h GLN 29 Ca 0.00 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 1dj8 h GLN 29 Cb 0.72 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1dj8 h GLN 29 CO 0.01 0.85 0.17 -1.00 -0.67 0.00 0.00 178.83 178.20 1dj8 h PRO 30 N 0.64 0.54 -0.45 1.46 0.13 -1.83 -1.61 132.00 130.89 1dj8 h PRO 30 Ca 0.13 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1dj8 h PRO 30 Cb 0.49 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.49 1dj8 h PRO 30 CO 0.02 0.44 0.28 1.15 -0.23 0.00 0.00 178.00 179.66 1dj8 h THR 31 N 0.54 1.08 -0.77 1.56 2.02 -1.79 0.28 112.91 115.83 1dj8 h THR 31 Ca 0.14 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1dj8 h THR 31 Cb 0.09 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1dj8 h THR 31 CO -0.02 0.10 0.31 0.00 0.37 0.00 0.00 175.52 176.28 1dj8 h ALA 32 N 1.18 1.01 -0.29 6.16 0.00 -1.01 0.18 119.26 126.50 1dj8 h ALA 32 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dj8 h ALA 32 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1dj8 h ALA 32 CO -0.06 0.64 0.13 0.28 0.00 0.00 0.00 179.25 180.24 1dj8 h VAL 33 N 1.13 1.16 -0.66 0.00 2.07 -0.93 -1.34 116.25 117.67 1dj8 h VAL 33 Ca 0.26 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1dj8 h VAL 33 Cb 0.22 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1dj8 h VAL 33 CO -0.02 0.16 0.18 1.23 0.02 0.00 0.00 177.57 179.14 1dj8 h GLY 34 N 0.33 1.12 0.96 2.17 0.00 -0.61 -1.35 103.07 105.68 1dj8 h GLY 34 Ca 0.10 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1dj8 h GLY 34 CO -0.01 0.64 0.20 -2.75 0.00 0.00 0.00 176.54 174.61 1dj8 h PHE 35 N 0.97 0.53 -0.65 5.60 3.57 -0.54 -0.94 116.94 125.48 1dj8 h PHE 35 Ca 0.21 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1dj8 h PHE 35 Cb 0.33 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1dj8 h PHE 35 CO 0.02 0.43 0.39 0.00 -2.23 0.00 0.00 178.31 176.92 1dj8 h ALA 36 N 1.05 0.83 -0.05 2.41 0.00 -1.09 0.04 119.26 122.45 1dj8 h ALA 36 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dj8 h ALA 36 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1dj8 h ALA 36 CO -0.02 0.31 0.03 0.93 0.00 0.00 0.00 179.25 180.50 1dj8 h GLU 37 N 0.88 0.07 -0.23 0.00 5.08 -1.03 -3.01 114.58 116.35 1dj8 h GLU 37 Ca 0.23 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1dj8 h GLU 37 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1dj8 h GLU 37 CO -0.04 0.13 0.03 0.00 -1.00 0.00 0.00 179.01 178.13 1dj8 h ALA 38 N 0.94 0.30 -0.99 3.43 0.00 -0.96 -3.13 119.26 118.84 1dj8 h ALA 38 Ca 0.02 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.95 1dj8 h ALA 38 Cb 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 1dj8 h ALA 38 CO -0.00 -0.01 0.62 1.25 0.00 0.00 0.00 179.25 181.11 1dj8 h LEU 39 N 0.18 0.65 0.00 0.00 5.85 -1.02 -3.40 115.31 117.57 1dj8 h LEU 39 Ca 0.07 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1dj8 h LEU 39 Cb 0.35 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1dj8 h LEU 39 CO 0.01 0.21 0.00 0.59 -0.34 0.00 0.00 178.44 178.90 1dj8 n ASN 40 N -4.71 0.00 -0.28 1.25 5.03 -1.14 -5.07 115.26 110.34 1dj8 n ASN 40 Ca 0.23 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.68 1dj8 n ASN 40 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.43 1dj8 n ASN 40 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1dj8 n ASN 41 N 0.00 -2.50 -4.16 6.41 4.13 -1.26 -4.93 115.26 112.96 1dj8 n ASN 41 Ca 0.00 0.22 -0.59 0.00 1.68 0.00 0.00 54.58 55.89 1dj8 n ASN 41 Cb 0.00 -0.01 -0.11 0.00 -1.54 0.00 0.00 39.78 38.12 1dj8 n ASN 41 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1dj8 n LYS 42 N -0.85 0.00 0.00 3.52 4.76 -1.26 -4.81 118.16 119.51 1dj8 n LYS 42 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1dj8 n LYS 42 Cb 0.00 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 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 6.86 0.00 -4.18 4.39 10.43 -1.26 -4.50 116.55 128.30 1dj8 n ASP 43 Ca 0.50 0.00 -0.39 0.00 2.57 0.00 0.00 54.79 57.47 1dj8 n ASP 43 Cb -0.04 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 42.87 1dj8 n ASP 43 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1dj8 s LYS 44 N 0.00 3.40 0.53 -1.24 -0.14 -1.26 -4.93 119.74 116.11 1dj8 s LYS 44 Ca 0.00 -3.08 0.23 0.00 -1.36 0.00 0.00 55.97 51.76 1dj8 s LYS 44 Cb 0.00 -4.10 1.39 0.00 -1.68 0.00 0.00 37.83 33.45 1dj8 s LYS 44 CO 0.00 -1.25 2.04 -1.00 -0.76 0.00 0.00 175.35 174.38 1dj8 h PRO 45 N 6.46 0.00 0.00 -1.68 0.13 -1.97 -1.39 132.00 133.55 1dj8 h PRO 45 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1dj8 h PRO 45 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1dj8 h PRO 45 CO 0.86 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.78 1dj8 n GLU 46 N -4.35 0.03 0.00 0.86 0.00 -1.26 -2.98 120.64 112.94 1dj8 n GLU 46 Ca 0.06 0.12 0.09 0.00 0.00 0.00 0.00 57.16 57.42 1dj8 n GLU 46 Cb 0.45 -1.54 -0.07 0.00 0.00 0.00 0.00 31.44 30.28 1dj8 n GLU 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1dj8 n ASP 47 N -1.60 1.14 -4.70 -1.84 8.00 -0.53 -4.98 116.55 112.04 1dj8 n ASP 47 Ca 0.06 -1.07 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 1dj8 n ASP 47 Cb 0.29 0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.53 3.67 -0.13 2.24 0.00 -1.16 -5.00 121.76 118.85 1dj8 s ALA 48 Ca 0.09 1.16 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 1dj8 s ALA 48 Cb 0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1dj8 s ALA 48 CO 0.66 -0.93 0.04 0.08 0.00 0.00 0.00 175.76 175.60 1dj8 s VAL 49 N 2.09 4.60 -0.19 0.00 1.01 -1.26 -5.08 120.40 121.57 1dj8 s VAL 49 Ca 0.70 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 1dj8 s VAL 49 Cb -0.38 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1dj8 s VAL 49 CO 0.31 0.55 0.07 -0.22 0.00 0.00 0.00 175.10 175.81 1dj8 s LEU 50 N -0.41 3.82 -0.63 3.92 2.96 -1.26 -5.04 118.68 122.04 1dj8 s LEU 50 Ca 0.09 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 1dj8 s LEU 50 Cb -0.12 -1.97 0.15 0.00 0.50 0.00 0.00 46.19 44.75 1dj8 s LEU 50 CO 0.02 0.16 0.40 -0.62 -1.32 0.00 0.00 176.35 174.98 1dj8 s ASP 51 N 0.47 4.57 0.32 3.68 3.68 -1.26 -4.97 116.67 123.16 1dj8 s ASP 51 Ca 0.03 -3.50 0.01 0.00 2.13 0.00 0.00 52.55 51.22 1dj8 s ASP 51 Cb -0.13 -1.61 0.55 0.00 -1.45 0.00 0.00 42.92 40.28 1dj8 s ASP 51 CO 0.01 -0.14 1.96 -0.37 0.13 0.00 0.00 175.17 176.76 1dj8 h VAL 52 N 4.84 1.14 -0.57 1.11 -1.51 -1.99 -0.56 116.25 118.71 1dj8 h VAL 52 Ca 0.06 -0.34 -0.10 0.00 -1.23 0.00 0.00 66.70 65.09 1dj8 h VAL 52 Cb 0.81 0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 1dj8 h VAL 52 CO 0.70 0.18 -0.03 -0.61 -1.23 0.00 0.00 177.57 176.58 1dj8 h GLN 53 N 0.99 1.01 -0.56 5.19 5.75 -1.99 -1.37 115.11 124.13 1dj8 h GLN 53 Ca 0.31 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1dj8 h GLN 53 Cb 0.01 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1dj8 h GLN 53 CO -0.08 1.01 0.33 0.78 -2.65 0.00 0.00 178.83 178.21 1dj8 h GLY 54 N 0.98 0.81 1.56 2.39 0.00 -1.62 -1.24 103.07 105.95 1dj8 h GLY 54 Ca 0.16 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1dj8 h GLY 54 CO 0.03 0.34 -0.27 -2.22 0.00 0.00 0.00 176.54 174.42 1dj8 h ILE 55 N 0.75 1.27 -0.17 2.60 2.04 -0.97 -1.63 117.51 121.40 1dj8 h ILE 55 Ca 0.20 -1.31 -0.11 0.00 1.00 0.00 0.00 64.86 64.63 1dj8 h ILE 55 Cb 0.00 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1dj8 h ILE 55 CO -0.04 0.42 -0.38 0.00 0.00 0.00 0.00 178.15 178.15 1dj8 h ALA 56 N 1.27 1.05 0.00 1.87 0.00 -0.76 -2.07 119.26 120.62 1dj8 h ALA 56 Ca 0.06 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 1dj8 h ALA 56 Cb 0.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1dj8 h ALA 56 CO 0.05 0.60 -0.90 1.15 0.00 0.00 0.00 179.25 180.15 1dj8 h THR 57 N 0.31 1.58 0.00 0.00 2.02 -0.90 -3.31 112.91 112.61 1dj8 h THR 57 Ca 0.03 -3.15 -0.11 0.00 0.77 0.00 0.00 66.41 63.95 1dj8 h THR 57 Cb 0.81 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.93 1dj8 h THR 57 CO 0.06 0.88 -1.00 1.62 0.37 0.00 0.00 175.52 177.46 1dj8 h VAL 58 N 0.00 0.46 -0.35 3.16 3.04 -1.27 -3.39 116.25 117.90 1dj8 h VAL 58 Ca -0.01 -1.79 0.07 0.00 -1.01 0.00 0.00 66.70 63.97 1dj8 h VAL 58 Cb 1.66 2.03 -0.07 0.00 -2.01 0.00 0.00 31.29 32.89 1dj8 h VAL 58 CO 0.12 0.26 -0.10 0.74 -1.01 0.00 0.00 177.57 177.58 1dj8 h THR 59 N 0.00 0.62 -0.58 3.17 2.02 -1.46 -1.89 112.91 114.79 1dj8 h THR 59 Ca -0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.20 1dj8 h THR 59 Cb 1.38 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1dj8 h THR 59 CO 0.04 0.00 0.39 1.55 0.37 0.00 0.00 175.52 177.87 1dj8 h PRO 60 N -0.02 0.37 -0.29 6.66 0.13 -1.76 0.94 132.00 138.04 1dj8 h PRO 60 Ca 0.17 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 1dj8 h PRO 60 Cb 0.28 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1dj8 h PRO 60 CO -0.37 0.25 -0.19 0.00 -0.23 0.00 0.00 178.00 177.46 1dj8 h ALA 61 N 1.70 1.14 -0.21 -0.56 0.00 -1.59 -0.91 119.26 118.84 1dj8 h ALA 61 Ca 0.27 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1dj8 h ALA 61 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1dj8 h ALA 61 CO -0.07 0.54 -0.56 0.82 0.00 0.00 0.00 179.25 179.98 1dj8 h ILE 62 N 0.47 1.30 -0.19 0.00 2.04 -0.78 -0.72 117.51 119.63 1dj8 h ILE 62 Ca 0.08 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1dj8 h ILE 62 Cb 0.60 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1dj8 h ILE 62 CO 0.04 0.56 0.12 0.58 0.00 0.00 0.00 178.15 179.46 1dj8 h VAL 63 N 0.47 1.04 -0.74 1.67 2.07 -0.71 -0.28 116.25 119.77 1dj8 h VAL 63 Ca -0.01 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1dj8 h VAL 63 Cb 1.18 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1dj8 h VAL 63 CO 0.12 0.05 0.38 -0.61 0.02 0.00 0.00 177.57 177.53 1dj8 h GLN 64 N 0.25 1.05 -0.38 1.57 4.15 -1.13 -0.99 115.11 119.63 1dj8 h GLN 64 Ca 0.07 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 1dj8 h GLN 64 Cb -0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1dj8 h GLN 64 CO -0.02 0.80 0.02 0.00 -1.93 0.00 0.00 178.83 177.70 1dj8 h ALA 65 N 1.19 1.33 -0.02 3.38 0.00 -0.83 -2.03 119.26 122.28 1dj8 h ALA 65 Ca 0.26 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1dj8 h ALA 65 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1dj8 h ALA 65 CO -0.04 0.46 -0.56 0.00 0.00 0.00 0.00 179.25 179.11 1dj8 h THR 67 N 0.05 0.84 -0.06 0.00 1.35 -0.46 -1.99 112.91 112.63 1dj8 h THR 67 Ca -0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1dj8 h THR 67 Cb 1.01 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1dj8 h THR 67 CO 0.08 0.18 0.00 0.00 -0.25 0.00 0.00 175.52 175.53 1dj8 n GLN 68 N -3.90 1.71 -2.75 4.72 6.02 -1.09 -4.39 117.38 117.70 1dj8 n GLN 68 Ca -0.02 -1.04 -0.09 0.00 -0.01 0.00 0.00 57.00 55.84 1dj8 n GLN 68 Cb 0.27 -1.46 0.07 0.00 1.02 0.00 0.00 30.24 30.15 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 0.26 -2.55 0.28 1.08 4.64 -0.78 -5.02 116.55 114.45 1dj8 n ASP 69 Ca 0.18 -3.51 0.14 0.00 -1.38 0.00 0.00 54.79 50.22 1dj8 n ASP 69 Cb 0.36 1.85 0.88 0.00 -1.04 0.00 0.00 41.12 43.16 1dj8 n ASP 69 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1dj8 h LYS 70 N 3.46 0.00 -0.01 -0.67 1.57 -1.68 -1.77 116.57 117.47 1dj8 h LYS 70 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1dj8 h LYS 70 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1dj8 h LYS 70 CO 0.23 0.00 -0.09 1.04 -0.57 0.00 0.00 179.45 180.06 1dj8 n GLN 71 N -3.93 1.05 -1.12 3.15 6.02 -1.26 -1.80 117.38 119.49 1dj8 n GLN 71 Ca -0.02 -0.47 -0.30 0.00 -0.01 0.00 0.00 57.00 56.20 1dj8 n GLN 71 Cb 0.11 -1.49 0.14 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.27 1.47 -0.11 -1.58 0.00 -0.67 -4.77 121.76 113.83 1dj8 s ALA 72 Ca 0.33 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 1dj8 s ALA 72 Cb 0.20 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1dj8 s ALA 72 CO 0.43 -2.43 0.80 1.21 0.00 0.00 0.00 175.76 175.76 1dj8 s ASN 73 N -3.30 7.02 0.09 0.00 2.47 -1.26 -1.03 114.94 118.93 1dj8 s ASN 73 Ca 0.64 1.24 -0.30 0.00 0.42 0.00 0.00 52.86 54.85 1dj8 s ASN 73 Cb -0.19 -2.45 -0.13 0.00 -1.45 0.00 0.00 41.25 37.03 1dj8 s ASN 73 CO 0.57 -0.27 1.62 0.15 -3.72 0.00 0.00 177.10 175.46 1dj8 h PHE 74 N 7.04 -0.88 -0.96 0.43 3.57 -1.47 -2.24 116.94 122.44 1dj8 h PHE 74 Ca -0.35 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.24 1dj8 h PHE 74 Cb 1.17 0.34 -0.07 0.00 2.79 0.00 0.00 35.95 40.17 1dj8 h PHE 74 CO 0.69 -0.47 0.60 -0.22 -2.23 0.00 0.00 178.31 176.68 1dj8 h LYS 75 N -0.69 0.99 -0.03 1.11 3.11 -1.81 0.30 116.57 119.54 1dj8 h LYS 75 Ca -0.02 -0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 57.68 1dj8 h LYS 75 Cb 0.62 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 1dj8 h LYS 75 CO -0.05 0.65 -0.35 -0.44 -2.81 0.00 0.00 179.45 176.46 1dj8 h ASP 76 N 1.02 0.05 -0.29 4.20 3.32 -1.91 -2.11 116.42 120.69 1dj8 h ASP 76 Ca 0.45 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.36 1dj8 h ASP 76 Cb 0.33 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1dj8 h ASP 76 CO -0.22 0.40 -0.28 0.11 -1.72 0.00 0.00 179.24 177.52 1dj8 h LYS 77 N 0.04 0.69 -0.19 3.56 1.79 -0.37 -0.00 116.57 122.09 1dj8 h LYS 77 Ca 0.00 -0.36 0.04 0.00 -2.18 0.00 0.00 60.65 58.15 1dj8 h LYS 77 Cb 0.64 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.26 1dj8 h LYS 77 CO 0.05 0.98 -0.06 0.28 -1.08 0.00 0.00 179.45 179.61 1dj8 h VAL 78 N 0.44 0.78 -0.59 0.50 2.07 -1.12 -0.30 116.25 118.04 1dj8 h VAL 78 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1dj8 h VAL 78 Cb 0.84 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1dj8 h VAL 78 CO 0.07 0.00 0.36 0.50 0.02 0.00 0.00 177.57 178.52 1dj8 h LYS 79 N -0.02 0.80 0.16 1.57 3.64 -1.29 -0.84 116.57 120.59 1dj8 h LYS 79 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1dj8 h LYS 79 Cb 0.16 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1dj8 h LYS 79 CO -0.21 0.57 -0.17 0.78 -2.27 0.00 0.00 179.45 178.15 1dj8 h GLY 80 N 0.79 -0.35 1.02 5.01 0.00 -0.39 -2.06 103.07 107.10 1dj8 h GLY 80 Ca 0.21 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 1dj8 h GLY 80 CO -0.04 -0.16 0.16 0.83 0.00 0.00 0.00 176.54 177.32 1dj8 h GLU 81 N -0.36 0.96 0.00 4.80 4.39 -0.97 -2.54 114.58 120.86 1dj8 h GLU 81 Ca 0.00 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 1dj8 h GLU 81 Cb 0.34 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1dj8 h GLU 81 CO -0.05 0.88 -0.14 2.35 -1.16 0.00 0.00 179.01 180.89 1dj8 h TRP 82 N 0.88 0.00 0.01 4.33 2.91 -1.06 -2.05 115.95 120.97 1dj8 h TRP 82 Ca 0.19 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.21 1dj8 h TRP 82 Cb 0.34 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.99 1dj8 h TRP 82 CO 0.02 0.14 -0.00 -0.44 -1.03 0.00 0.00 178.44 177.13 1dj8 h ASP 83 N 0.00 -0.01 -0.07 2.65 3.32 -1.27 -3.30 116.42 117.75 1dj8 h ASP 83 Ca -0.00 -0.78 0.02 0.00 0.02 0.00 0.00 57.03 56.29 1dj8 h ASP 83 Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1dj8 h ASP 83 CO 0.02 0.79 -0.36 0.11 -1.72 0.00 0.00 179.24 178.08 1dj8 h LYS 84 N -0.82 -0.39 -0.02 3.56 1.57 -1.12 -2.55 116.57 116.80 1dj8 h LYS 84 Ca -0.00 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1dj8 h LYS 84 Cb 0.79 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 1dj8 h LYS 84 CO 0.00 -0.26 -0.54 -0.84 -0.57 0.00 0.00 179.45 177.24 1dj8 h ILE 85 N -0.41 0.00 -2.78 1.86 3.07 -1.55 -3.13 117.51 114.58 1dj8 h ILE 85 Ca 0.02 0.00 -0.73 0.00 1.55 0.00 0.00 64.86 65.69 1dj8 h ILE 85 Cb 0.46 0.00 -0.33 0.00 -0.27 0.00 0.00 36.82 36.68 1dj8 h ILE 85 CO -0.28 0.00 0.25 0.29 -1.05 0.00 0.00 178.15 177.36 1dj8 n LYS 86 N -5.45 3.63 0.00 0.16 4.76 -1.20 -5.14 118.16 114.92 1dj8 n LYS 86 Ca -0.07 -4.58 0.00 0.00 -2.87 0.00 0.00 58.31 50.79 1dj8 n LYS 86 Cb 0.40 -2.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 1dj8 n LYS 86 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20