#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1na0 h SER 8 N 0.00 0.00 -0.30 1.20 0.02 -2.01 -1.80 113.55 110.66 1na0 h SER 8 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1na0 h SER 8 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1na0 h SER 8 CO 0.00 0.10 0.14 0.00 -1.14 0.00 0.00 176.83 175.92 1na0 h ALA 9 N 1.90 0.39 -0.82 3.77 0.00 -1.92 -0.65 119.26 121.93 1na0 h ALA 9 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1na0 h ALA 9 Cb 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1na0 h ALA 9 CO 0.01 -0.04 0.54 0.93 0.00 0.00 0.00 179.25 180.69 1na0 h GLU 10 N 0.34 1.07 -0.49 0.00 5.08 -1.86 -1.26 114.58 117.45 1na0 h GLU 10 Ca 0.10 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1na0 h GLU 10 Cb 0.14 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1na0 h GLU 10 CO -0.01 0.70 0.29 0.00 -1.00 0.00 0.00 179.01 178.99 1na0 h ALA 11 N 1.31 0.63 -0.41 3.43 0.00 -0.69 0.14 119.26 123.67 1na0 h ALA 11 Ca 0.31 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1na0 h ALA 11 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1na0 h ALA 11 CO -0.07 -0.03 0.11 -1.49 0.00 0.00 0.00 179.25 177.77 1na0 h TRP 12 N 0.57 0.67 -0.62 0.00 4.06 -0.90 -1.86 115.95 117.86 1na0 h TRP 12 Ca 0.20 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 61.09 1na0 h TRP 12 Cb 0.04 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 27.97 1na0 h TRP 12 CO -0.07 0.63 0.40 -0.92 -3.56 0.00 0.00 178.44 174.92 1na0 h TYR 13 N 0.52 0.75 -0.86 0.49 3.20 -0.91 0.11 116.97 120.28 1na0 h TYR 13 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1na0 h TYR 13 Cb 0.29 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1na0 h TYR 13 CO 0.01 0.46 0.52 -0.91 -1.64 0.00 0.00 178.16 176.60 1na0 h ASN 14 N 0.80 1.04 -0.39 -2.11 2.35 -0.55 -1.18 115.58 115.55 1na0 h ASN 14 Ca 0.24 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1na0 h ASN 14 Cb -0.04 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1na0 h ASN 14 CO -0.07 0.80 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.12 1na0 h LEU 15 N 1.19 0.95 -0.33 1.61 3.38 -0.93 -1.99 115.31 119.17 1na0 h LEU 15 Ca 0.31 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1na0 h LEU 15 Cb -0.05 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.38 1na0 h LEU 15 CO -0.06 1.20 -0.02 1.23 0.09 0.00 0.00 178.44 180.88 1na0 h GLY 16 N 0.71 0.31 0.76 0.83 0.00 -0.64 -1.57 103.07 103.46 1na0 h GLY 16 Ca 0.07 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.50 1na0 h GLY 16 CO 0.08 -0.09 0.29 3.43 0.00 0.00 0.00 176.54 180.26 1na0 h ASN 17 N 0.07 0.44 -0.50 0.19 -0.26 -1.03 0.20 115.58 114.69 1na0 h ASN 17 Ca 0.16 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 1na0 h ASN 17 Cb 0.23 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.40 1na0 h ASN 17 CO -0.29 0.30 0.28 0.00 -1.06 0.00 0.00 177.43 176.66 1na0 h ALA 18 N 1.28 0.64 -0.15 -0.83 0.00 -0.90 -0.82 119.26 118.48 1na0 h ALA 18 Ca 0.23 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1na0 h ALA 18 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1na0 h ALA 18 CO -0.14 0.17 -0.61 1.88 0.00 0.00 0.00 179.25 180.54 1na0 h TYR 19 N 0.67 0.65 -0.11 0.00 -1.99 -0.94 -3.04 116.97 112.21 1na0 h TYR 19 Ca 0.18 -0.25 0.01 0.00 2.00 0.00 0.00 58.73 60.67 1na0 h TYR 19 Cb 0.05 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.65 1na0 h TYR 19 CO -0.02 0.99 0.02 -0.92 -0.00 0.00 0.00 178.16 178.23 1na0 h TYR 20 N 0.38 0.03 0.00 4.88 3.20 -0.32 -1.27 116.97 123.86 1na0 h TYR 20 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1na0 h TYR 20 Cb 1.17 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 1na0 h TYR 20 CO 0.05 0.01 -0.09 0.87 -1.64 0.00 0.00 178.16 177.35 1na0 h LYS 21 N 0.06 0.00 -0.05 1.82 1.57 -1.15 -1.05 116.57 117.78 1na0 h LYS 21 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1na0 h LYS 21 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1na0 h LYS 21 CO -0.07 0.09 0.00 1.04 -0.57 0.00 0.00 179.45 179.93 1na0 n GLN 22 N -4.34 1.55 -1.09 3.15 6.02 -0.87 -4.94 117.38 116.86 1na0 n GLN 22 Ca -0.03 -0.80 -0.03 0.00 -0.01 0.00 0.00 57.00 56.13 1na0 n GLN 22 Cb 0.17 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 1na0 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na0 n GLY 23 N 1.12 0.62 3.28 1.08 0.00 -0.40 -4.96 105.19 105.92 1na0 n GLY 23 Ca 0.19 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1na0 n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1na0 n ASP 24 N 0.85 5.11 -0.19 1.61 -0.08 -0.53 -4.85 116.55 118.46 1na0 n ASP 24 Ca -0.03 -3.01 -0.10 0.00 -1.51 0.00 0.00 54.79 50.15 1na0 n ASP 24 Cb 0.13 -1.56 0.02 0.00 2.34 0.00 0.00 41.12 42.04 1na0 n ASP 24 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1na0 h TYR 25 N 6.73 1.10 -0.71 -0.67 0.99 -1.89 -0.69 116.97 121.82 1na0 h TYR 25 Ca 0.36 -0.20 0.06 0.00 2.00 0.00 0.00 58.73 60.96 1na0 h TYR 25 Cb 0.79 -0.28 -0.06 0.00 1.00 0.00 0.00 36.73 38.18 1na0 h TYR 25 CO 1.19 1.00 0.40 -0.44 -0.00 0.00 0.00 178.16 180.31 1na0 h ASP 26 N 0.89 0.60 -0.05 3.88 3.32 -1.94 0.07 116.42 123.19 1na0 h ASP 26 Ca 0.16 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1na0 h ASP 26 Cb 0.57 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1na0 h ASP 26 CO 0.03 0.38 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.54 1na0 h GLU 27 N 0.74 0.12 -0.88 3.56 4.39 -1.94 -2.66 114.58 117.90 1na0 h GLU 27 Ca 0.32 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 60.08 1na0 h GLU 27 Cb 0.21 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.77 1na0 h GLU 27 CO -0.19 0.61 0.50 0.00 -1.16 0.00 0.00 179.01 178.77 1na0 h ALA 28 N 0.51 1.33 -0.22 3.43 0.00 -0.85 -1.36 119.26 122.09 1na0 h ALA 28 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1na0 h ALA 28 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1na0 h ALA 28 CO 0.01 0.03 0.10 0.82 0.00 0.00 0.00 179.25 180.22 1na0 h ILE 29 N 0.76 1.14 -0.52 0.00 2.04 -0.95 0.71 117.51 120.69 1na0 h ILE 29 Ca 0.46 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 66.01 1na0 h ILE 29 Cb 0.56 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1na0 h ILE 29 CO -0.31 0.14 0.11 -0.08 0.00 0.00 0.00 178.15 178.00 1na0 h GLU 30 N 0.22 0.24 -0.12 2.37 4.57 -0.95 -1.73 114.58 119.18 1na0 h GLU 30 Ca 0.07 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.01 1na0 h GLU 30 Cb 0.12 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1na0 h GLU 30 CO -0.01 0.16 -0.84 1.88 -1.18 0.00 0.00 179.01 179.02 1na0 h TYR 31 N 0.24 1.07 -0.90 0.92 0.05 -0.86 -2.03 116.97 115.46 1na0 h TYR 31 Ca 0.26 -0.50 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 1na0 h TYR 31 Cb 0.36 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.90 1na0 h TYR 31 CO -0.23 1.33 0.51 1.88 -1.05 0.00 0.00 178.16 180.60 1na0 h TYR 32 N 0.50 1.22 -0.83 4.88 0.99 -0.82 -1.89 116.97 121.01 1na0 h TYR 32 Ca -0.07 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.61 1na0 h TYR 32 Cb 1.47 -0.39 -0.04 0.00 1.00 0.00 0.00 36.73 38.77 1na0 h TYR 32 CO 0.09 0.83 0.40 1.96 -0.00 0.00 0.00 178.16 181.44 1na0 h GLN 33 N 1.25 1.19 -0.62 4.88 4.20 -1.18 -0.22 115.11 124.61 1na0 h GLN 33 Ca 0.32 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1na0 h GLN 33 Cb -0.00 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 1na0 h GLN 33 CO -0.05 0.92 0.40 0.87 -0.67 0.00 0.00 178.83 180.29 1na0 h LYS 34 N 1.18 0.77 -0.22 1.46 1.79 -0.97 -1.34 116.57 119.23 1na0 h LYS 34 Ca 0.29 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1na0 h LYS 34 Cb 0.12 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1na0 h LYS 34 CO -0.04 0.51 0.12 0.00 -1.08 0.00 0.00 179.45 178.96 1na0 h ALA 35 N 1.25 0.29 0.00 3.86 0.00 -0.88 -2.99 119.26 120.79 1na0 h ALA 35 Ca 0.24 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1na0 h ALA 35 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1na0 h ALA 35 CO -0.08 -0.17 -0.41 -0.07 0.00 0.00 0.00 179.25 178.52 1na0 h LEU 36 N 0.24 0.00 -1.54 0.00 3.38 -0.87 0.15 115.31 116.67 1na0 h LEU 36 Ca 0.08 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1na0 h LEU 36 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1na0 h LEU 36 CO -0.01 0.41 0.41 -0.33 0.09 0.00 0.00 178.44 179.01 1na0 h GLU 37 N 0.00 0.53 0.03 1.13 5.08 -1.10 -2.82 114.58 117.43 1na0 h GLU 37 Ca -0.00 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 57.99 1na0 h GLU 37 Cb 0.92 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 1na0 h GLU 37 CO 0.05 0.35 -1.98 1.28 -1.00 0.00 0.00 179.01 177.72 1na0 n LEU 38 N -4.48 1.34 -3.40 1.33 4.77 -0.62 -4.75 117.00 111.19 1na0 n LEU 38 Ca 0.09 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.07 1na0 n LEU 38 Cb 0.29 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1na0 n LEU 38 CO 0.34 0.57 -0.25 -0.62 -1.33 0.00 0.00 177.39 176.10 1na0 s ASP 39 N -6.25 2.03 0.00 -1.43 2.15 0.43 -4.97 116.67 108.64 1na0 s ASP 39 Ca -0.13 -2.10 0.24 0.00 0.43 0.00 0.00 52.55 51.00 1na0 s ASP 39 Cb 0.07 -0.02 1.44 0.00 -0.30 0.00 0.00 42.92 44.12 1na0 s ASP 39 CO 0.79 -0.27 1.83 -0.81 -0.17 0.00 0.00 175.17 176.55 1na0 n PRO 40 N 3.91 0.82 -0.11 4.34 -0.04 -1.07 -3.10 135.00 139.76 1na0 n PRO 40 Ca 0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 1na0 n PRO 40 Cb 0.42 -1.46 0.32 0.00 -0.04 0.00 0.00 33.50 32.73 1na0 n PRO 40 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1na0 n ASN 41 N -0.96 2.21 -4.54 3.54 3.02 -1.26 -4.83 115.26 112.44 1na0 n ASN 41 Ca 0.18 -1.81 -0.41 0.00 -0.03 0.00 0.00 54.58 52.51 1na0 n ASN 41 Cb 0.08 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1na0 n ASN 41 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na0 s ASN 42 N -1.53 6.28 0.38 6.41 3.84 -1.18 -4.86 114.94 124.28 1na0 s ASN 42 Ca 0.34 -0.85 0.05 0.00 0.21 0.00 0.00 52.86 52.61 1na0 s ASN 42 Cb 0.19 -2.55 0.77 0.00 -0.55 0.00 0.00 41.25 39.11 1na0 s ASN 42 CO 0.27 -1.68 2.02 0.00 -2.79 0.00 0.00 177.10 174.92 1na0 h ALA 43 N 9.88 1.67 -0.01 1.71 0.00 -1.91 -2.22 119.26 128.38 1na0 h ALA 43 Ca -0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1na0 h ALA 43 Cb 1.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1na0 h ALA 43 CO 1.31 0.28 -0.59 0.93 0.00 0.00 0.00 179.25 181.19 1na0 h GLU 44 N 0.70 0.04 -0.36 0.00 4.39 -1.93 -0.73 114.58 116.69 1na0 h GLU 44 Ca 0.22 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 1na0 h GLU 44 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1na0 h GLU 44 CO -0.05 0.62 -0.02 0.00 -1.16 0.00 0.00 179.01 178.39 1na0 h ALA 45 N 1.38 0.48 -0.64 3.43 0.00 -1.82 -0.55 119.26 121.53 1na0 h ALA 45 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1na0 h ALA 45 Cb 1.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1na0 h ALA 45 CO 0.08 0.28 0.39 -1.49 0.00 0.00 0.00 179.25 178.51 1na0 h TRP 46 N 0.45 0.84 -0.18 0.00 4.06 -1.10 -0.73 115.95 119.29 1na0 h TRP 46 Ca 0.10 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 1na0 h TRP 46 Cb 0.50 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 1na0 h TRP 46 CO 0.04 0.57 0.07 -0.92 -3.56 0.00 0.00 178.44 174.64 1na0 h TYR 47 N 0.87 0.28 -0.03 0.49 3.20 -1.00 -1.48 116.97 119.30 1na0 h TYR 47 Ca 0.23 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 1na0 h TYR 47 Cb -0.04 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1na0 h TYR 47 CO -0.02 0.34 -0.64 -0.91 -1.64 0.00 0.00 178.16 175.29 1na0 h ASN 48 N 0.14 0.15 -0.26 -2.11 -0.26 -0.99 -0.39 115.58 111.86 1na0 h ASN 48 Ca 0.06 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1na0 h ASN 48 Cb 0.18 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1na0 h ASN 48 CO -0.00 0.75 0.14 0.25 -1.06 0.00 0.00 177.43 177.50 1na0 h LEU 49 N 0.09 0.32 -0.57 1.61 5.85 -1.04 -1.23 115.31 120.34 1na0 h LEU 49 Ca -0.01 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.73 1na0 h LEU 49 Cb 1.14 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 1na0 h LEU 49 CO 0.09 0.32 0.12 1.23 -0.34 0.00 0.00 178.44 179.86 1na0 h GLY 50 N 0.30 0.73 1.01 3.75 0.00 -0.76 -1.18 103.07 106.91 1na0 h GLY 50 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1na0 h GLY 50 CO -0.01 -0.10 0.42 3.43 0.00 0.00 0.00 176.54 180.28 1na0 h ASN 51 N 0.26 0.90 -0.35 0.19 -0.26 -0.84 0.15 115.58 115.61 1na0 h ASN 51 Ca 0.30 -0.08 -0.06 0.00 -0.56 0.00 0.00 56.30 55.89 1na0 h ASN 51 Cb 0.43 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1na0 h ASN 51 CO -0.38 0.72 -0.02 0.00 -1.06 0.00 0.00 177.43 176.68 1na0 h ALA 52 N 1.22 0.48 -0.76 -0.83 0.00 -0.92 -0.13 119.26 118.31 1na0 h ALA 52 Ca 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1na0 h ALA 52 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1na0 h ALA 52 CO -0.04 0.27 0.38 1.88 0.00 0.00 0.00 179.25 181.73 1na0 h TYR 53 N 0.44 1.08 -0.38 0.00 -1.99 -0.95 -2.42 116.97 112.77 1na0 h TYR 53 Ca 0.10 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.82 1na0 h TYR 53 Cb 0.50 -0.34 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 1na0 h TYR 53 CO 0.04 0.79 0.14 -0.92 -0.00 0.00 0.00 178.16 178.21 1na0 h TYR 54 N 1.07 0.25 0.00 4.88 3.20 -0.21 -1.09 116.97 125.07 1na0 h TYR 54 Ca 0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1na0 h TYR 54 Cb 0.10 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1na0 h TYR 54 CO 0.01 0.11 0.00 0.87 -1.64 0.00 0.00 178.16 177.50 1na0 h LYS 55 N 0.30 0.00 -0.01 1.82 1.79 -0.84 0.49 116.57 120.12 1na0 h LYS 55 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1na0 h LYS 55 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1na0 h LYS 55 CO -0.17 0.00 -0.01 1.04 -1.08 0.00 0.00 179.45 179.24 1na0 n GLN 56 N -3.07 1.23 -1.09 3.15 6.02 -0.65 -4.93 117.38 118.04 1na0 n GLN 56 Ca -0.01 -0.37 -0.03 0.00 -0.01 0.00 0.00 57.00 56.57 1na0 n GLN 56 Cb 0.18 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 1na0 n GLN 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na0 n GLY 57 N 1.08 0.62 3.27 1.08 0.00 0.16 -4.98 105.19 106.42 1na0 n GLY 57 Ca 0.22 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 1na0 n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1na0 n ASP 58 N 0.35 5.69 0.05 1.61 8.00 -0.51 -4.88 116.55 126.86 1na0 n ASP 58 Ca -0.03 -3.11 -0.06 0.00 0.71 0.00 0.00 54.79 52.29 1na0 n ASP 58 Cb 0.18 -1.35 0.12 0.00 -0.02 0.00 0.00 41.12 40.04 1na0 n ASP 58 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1na0 h TYR 59 N 6.39 0.48 -0.68 1.24 0.99 -1.89 -1.69 116.97 121.81 1na0 h TYR 59 Ca 0.18 -0.16 -0.08 0.00 2.00 0.00 0.00 58.73 60.67 1na0 h TYR 59 Cb 0.82 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 38.43 1na0 h TYR 59 CO 0.80 0.83 0.13 0.38 -0.00 0.00 0.00 178.16 180.30 1na0 h ASP 60 N 0.30 1.07 -0.39 3.88 3.04 -1.92 -1.39 116.42 121.00 1na0 h ASP 60 Ca 0.01 -0.25 -0.06 0.00 -3.24 0.00 0.00 57.03 53.49 1na0 h ASP 60 Cb 1.02 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 39.02 1na0 h ASP 60 CO 0.09 1.05 0.03 -0.33 -2.04 0.00 0.00 179.24 178.04 1na0 h GLU 61 N 1.05 0.67 -0.35 4.15 4.39 -1.91 -2.50 114.58 120.07 1na0 h GLU 61 Ca 0.21 -0.20 0.07 0.00 0.34 0.00 0.00 59.36 59.78 1na0 h GLU 61 Cb 0.42 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 1na0 h GLU 61 CO 0.01 0.75 -0.11 0.00 -1.16 0.00 0.00 179.01 178.50 1na0 h ALA 62 N 0.90 0.19 -0.66 3.43 0.00 -1.09 -1.99 119.26 120.04 1na0 h ALA 62 Ca 0.11 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1na0 h ALA 62 Cb 0.43 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1na0 h ALA 62 CO 0.01 -0.49 0.30 0.82 0.00 0.00 0.00 179.25 179.90 1na0 h ILE 63 N -0.04 0.81 -0.44 0.00 2.04 -1.11 0.14 117.51 118.92 1na0 h ILE 63 Ca 0.17 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1na0 h ILE 63 Cb 0.30 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1na0 h ILE 63 CO -0.39 0.09 0.29 -0.08 0.00 0.00 0.00 178.15 178.07 1na0 h GLU 64 N 0.51 0.57 0.10 2.37 4.81 -0.93 -0.16 114.58 121.85 1na0 h GLU 64 Ca 0.33 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 59.26 1na0 h GLU 64 Cb 0.38 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1na0 h GLU 64 CO -0.29 0.38 -1.24 1.88 -0.73 0.00 0.00 179.01 179.01 1na0 h TYR 65 N 0.59 0.37 -0.64 0.92 0.99 -1.07 -2.72 116.97 115.40 1na0 h TYR 65 Ca 0.16 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1na0 h TYR 65 Cb -0.05 -0.01 -0.03 0.00 1.00 0.00 0.00 36.73 37.63 1na0 h TYR 65 CO -0.05 1.23 0.38 1.88 -0.00 0.00 0.00 178.16 181.60 1na0 h TYR 66 N 0.05 0.85 -0.93 4.88 0.99 -0.58 -1.16 116.97 121.08 1na0 h TYR 66 Ca -0.13 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.67 1na0 h TYR 66 Cb 1.94 -0.28 -0.07 0.00 1.00 0.00 0.00 36.73 39.32 1na0 h TYR 66 CO 0.05 0.58 0.58 1.96 -0.00 0.00 0.00 178.16 181.33 1na0 h GLN 67 N 0.87 1.00 -0.35 4.88 4.20 -0.94 -1.23 115.11 123.53 1na0 h GLN 67 Ca 0.23 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1na0 h GLN 67 Cb -0.01 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 1na0 h GLN 67 CO -0.04 0.66 -0.01 0.87 -0.67 0.00 0.00 178.83 179.64 1na0 h LYS 68 N 1.03 0.63 -0.91 1.46 1.57 -1.14 -1.64 116.57 117.57 1na0 h LYS 68 Ca 0.41 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1na0 h LYS 68 Cb 0.23 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1na0 h LYS 68 CO -0.19 0.75 0.60 0.00 -0.57 0.00 0.00 179.45 180.03 1na0 h ALA 69 N 0.86 1.41 0.00 3.86 0.00 -0.85 -2.60 119.26 121.94 1na0 h ALA 69 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1na0 h ALA 69 Cb 0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1na0 h ALA 69 CO 0.02 0.52 -0.53 -0.07 0.00 0.00 0.00 179.25 179.19 1na0 h LEU 70 N 1.16 0.00 -0.94 0.00 3.38 -0.92 0.44 115.31 118.43 1na0 h LEU 70 Ca 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 1na0 h LEU 70 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1na0 h LEU 70 CO -0.10 0.53 0.05 -0.33 0.09 0.00 0.00 178.44 178.68 1na0 h GLU 71 N 0.00 0.82 0.06 1.13 5.08 -0.93 -1.69 114.58 119.06 1na0 h GLU 71 Ca -0.01 -0.20 -0.26 0.00 -1.00 0.00 0.00 59.36 57.89 1na0 h GLU 71 Cb 1.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1na0 h GLU 71 CO 0.07 0.79 -1.32 -0.07 -1.00 0.00 0.00 179.01 177.49 1na0 h LEU 72 N 0.78 0.21 -6.28 1.33 3.38 -1.19 -3.41 115.31 110.12 1na0 h LEU 72 Ca 0.16 -0.26 -0.58 0.00 0.09 0.00 0.00 57.88 57.28 1na0 h LEU 72 Cb 0.40 -0.07 -0.38 0.00 0.09 0.00 0.00 40.66 40.70 1na0 h LEU 72 CO 0.01 1.21 -1.00 -0.67 0.09 0.00 0.00 178.44 178.08 1na0 n ASP 73 N -3.38 -0.39 0.00 -0.43 2.03 0.10 -4.98 116.55 109.51 1na0 n ASP 73 Ca -0.09 -2.43 0.06 0.00 0.52 0.00 0.00 54.79 52.84 1na0 n ASP 73 Cb 1.01 -0.55 0.36 0.00 -0.72 0.00 0.00 41.12 41.21 1na0 n ASP 73 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1na0 n PRO 74 N 2.57 0.70 -0.07 -0.67 -0.04 -0.64 -2.49 135.00 134.36 1na0 n PRO 74 Ca 0.28 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1na0 n PRO 74 Cb 0.49 -1.27 0.37 0.00 -0.04 0.00 0.00 33.50 33.06 1na0 n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1na0 n ASN 75 N -0.77 1.93 -4.51 3.54 3.02 -1.26 -4.82 115.26 112.40 1na0 n ASN 75 Ca 0.09 -1.71 -0.42 0.00 -0.03 0.00 0.00 54.58 52.51 1na0 n ASN 75 Cb 0.04 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1na0 n ASN 75 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na0 s ASN 76 N -1.69 6.43 0.21 6.41 3.84 -1.04 -4.83 114.94 124.26 1na0 s ASN 76 Ca 0.34 -1.38 -0.10 0.00 0.21 0.00 0.00 52.86 51.93 1na0 s ASN 76 Cb 0.19 -2.49 0.20 0.00 -0.55 0.00 0.00 41.25 38.60 1na0 s ASN 76 CO 0.29 -1.42 1.84 0.00 -2.79 0.00 0.00 177.10 175.01 1na0 h ALA 77 N 9.52 0.91 -0.73 1.71 0.00 -1.91 -2.09 119.26 126.68 1na0 h ALA 77 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1na0 h ALA 77 Cb 1.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1na0 h ALA 77 CO 1.27 0.16 0.31 0.93 0.00 0.00 0.00 179.25 181.92 1na0 h GLU 78 N 0.80 1.07 -0.72 0.00 4.39 -1.93 -2.35 114.58 115.85 1na0 h GLU 78 Ca 0.29 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1na0 h GLU 78 Cb 0.07 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1na0 h GLU 78 CO -0.13 0.85 0.46 0.00 -1.16 0.00 0.00 179.01 179.03 1na0 h ALA 79 N 1.29 0.91 -0.91 3.43 0.00 -1.80 -0.45 119.26 121.72 1na0 h ALA 79 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1na0 h ALA 79 Cb 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1na0 h ALA 79 CO -0.02 0.34 0.59 -1.49 0.00 0.00 0.00 179.25 178.67 1na0 h TRP 80 N 0.97 1.17 -0.11 0.00 4.06 -1.15 -0.47 115.95 120.43 1na0 h TRP 80 Ca 0.26 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.21 1na0 h TRP 80 Cb -0.09 -0.39 -0.00 0.00 -1.00 0.00 0.00 29.16 27.67 1na0 h TRP 80 CO -0.02 0.75 0.01 -0.92 -3.56 0.00 0.00 178.44 174.71 1na0 h TYR 81 N 1.25 0.20 -0.27 0.49 3.20 -1.18 -1.09 116.97 119.56 1na0 h TYR 81 Ca 0.33 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 1na0 h TYR 81 Cb -0.11 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1na0 h TYR 81 CO -0.00 0.39 -0.17 -0.91 -1.64 0.00 0.00 178.16 175.83 1na0 h ASN 82 N -0.05 0.47 -0.41 -2.11 2.35 -0.92 -0.84 115.58 114.06 1na0 h ASN 82 Ca 0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1na0 h ASN 82 Cb 0.30 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1na0 h ASN 82 CO 0.00 0.65 0.26 0.25 -1.65 0.00 0.00 177.43 176.95 1na0 h LEU 83 N 0.44 0.48 -0.90 1.61 5.85 -0.89 0.08 115.31 121.98 1na0 h LEU 83 Ca 0.08 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1na0 h LEU 83 Cb 0.54 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1na0 h LEU 83 CO 0.04 0.38 0.54 1.23 -0.34 0.00 0.00 178.44 180.28 1na0 h GLY 84 N 0.55 1.41 0.91 3.75 0.00 -0.73 -0.57 103.07 108.39 1na0 h GLY 84 Ca 0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1na0 h GLY 84 CO -0.03 0.17 0.05 3.43 0.00 0.00 0.00 176.54 180.16 1na0 h ASN 85 N 0.90 0.56 -0.69 0.19 -0.26 -0.73 0.13 115.58 115.68 1na0 h ASN 85 Ca 0.43 -0.26 0.03 0.00 -0.56 0.00 0.00 56.30 55.93 1na0 h ASN 85 Cb 0.36 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.43 1na0 h ASN 85 CO -0.24 0.68 0.43 0.00 -1.06 0.00 0.00 177.43 177.25 1na0 h ALA 86 N 0.90 0.90 -0.50 -0.83 0.00 -0.18 -0.40 119.26 119.15 1na0 h ALA 86 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1na0 h ALA 86 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1na0 h ALA 86 CO 0.01 0.20 -0.14 1.88 0.00 0.00 0.00 179.25 181.21 1na0 h TYR 87 N 0.85 1.06 -0.81 0.00 -1.99 -0.80 -2.73 116.97 112.55 1na0 h TYR 87 Ca 0.28 -0.22 0.07 0.00 2.00 0.00 0.00 58.73 60.86 1na0 h TYR 87 Cb 0.02 -0.26 -0.06 0.00 2.00 0.00 0.00 36.73 38.42 1na0 h TYR 87 CO -0.04 1.01 0.48 -0.92 -0.00 0.00 0.00 178.16 178.69 1na0 h TYR 88 N 0.84 0.88 -0.03 4.88 3.20 -0.21 -0.62 116.97 125.92 1na0 h TYR 88 Ca 0.13 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1na0 h TYR 88 Cb 0.68 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1na0 h TYR 88 CO 0.04 0.42 -0.09 0.87 -1.64 0.00 0.00 178.16 177.76 1na0 h LYS 89 N 0.86 0.04 -0.01 1.82 1.79 -0.79 -0.66 116.57 119.62 1na0 h LYS 89 Ca 0.37 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1na0 h LYS 89 Cb 0.24 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1na0 h LYS 89 CO -0.20 0.13 -0.02 1.04 -1.08 0.00 0.00 179.45 179.32 1na0 n GLN 90 N -4.41 1.18 -1.00 3.15 6.02 -0.60 -4.92 117.38 116.80 1na0 n GLN 90 Ca -0.02 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 1na0 n GLN 90 Cb 0.18 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1na0 n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na0 n GLY 91 N 1.12 0.44 3.13 1.08 0.00 -0.26 -4.97 105.19 105.73 1na0 n GLY 91 Ca 0.20 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 1na0 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1na0 n ASP 92 N 1.09 5.68 0.14 1.61 8.00 -0.34 -4.84 116.55 127.89 1na0 n ASP 92 Ca 0.00 -3.17 -0.01 0.00 0.71 0.00 0.00 54.79 52.32 1na0 n ASP 92 Cb 0.00 -1.40 0.21 0.00 -0.02 0.00 0.00 41.12 39.91 1na0 n ASP 92 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1na0 h TYR 93 N 6.10 0.01 -0.23 1.24 -1.99 -1.89 -1.82 116.97 118.39 1na0 h TYR 93 Ca 0.26 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 1na0 h TYR 93 Cb 0.72 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 1na0 h TYR 93 CO 1.02 0.57 0.14 -0.44 -0.00 0.00 0.00 178.16 179.45 1na0 h ASP 94 N 0.01 0.28 -0.21 3.88 3.45 -1.93 -0.08 116.42 121.82 1na0 h ASP 94 Ca -0.01 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 1na0 h ASP 94 Cb 1.00 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.69 1na0 h ASP 94 CO 0.07 0.26 0.10 -0.33 -1.57 0.00 0.00 179.24 177.77 1na0 h GLU 95 N 0.28 0.30 -0.26 3.56 3.07 -1.94 -2.09 114.58 117.50 1na0 h GLU 95 Ca 0.08 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1na0 h GLU 95 Cb 0.03 -0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 27.83 1na0 h GLU 95 CO -0.01 0.31 -0.13 0.00 -1.40 0.00 0.00 179.01 177.78 1na0 h ALA 96 N 0.97 0.09 -0.51 3.43 0.00 -1.13 -1.46 119.26 120.66 1na0 h ALA 96 Ca 0.07 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1na0 h ALA 96 Cb 0.11 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1na0 h ALA 96 CO -0.01 -0.53 0.18 0.82 0.00 0.00 0.00 179.25 179.71 1na0 h ILE 97 N -0.09 0.82 -0.58 0.00 2.04 -0.86 0.12 117.51 118.95 1na0 h ILE 97 Ca 0.14 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1na0 h ILE 97 Cb 0.30 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1na0 h ILE 97 CO -0.32 0.06 0.37 -0.08 0.00 0.00 0.00 178.15 178.18 1na0 h GLU 98 N 0.35 0.78 0.01 2.37 4.81 -0.71 -0.92 114.58 121.28 1na0 h GLU 98 Ca 0.24 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 1na0 h GLU 98 Cb 0.27 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1na0 h GLU 98 CO -0.25 0.53 -0.89 1.88 -0.73 0.00 0.00 179.01 179.55 1na0 h TYR 99 N 0.79 0.17 -0.63 0.92 0.99 -0.74 -1.65 116.97 116.83 1na0 h TYR 99 Ca 0.21 -0.10 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 1na0 h TYR 99 Cb -0.07 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.62 1na0 h TYR 99 CO -0.03 0.94 0.06 1.88 -0.00 0.00 0.00 178.16 181.01 1na0 h TYR 100 N 0.06 1.16 -0.75 4.88 0.99 -0.47 -0.65 116.97 122.19 1na0 h TYR 100 Ca -0.03 -0.18 -0.02 0.00 2.00 0.00 0.00 58.73 60.50 1na0 h TYR 100 Cb 1.54 -0.31 -0.03 0.00 1.00 0.00 0.00 36.73 38.92 1na0 h TYR 100 CO 0.02 1.00 0.39 1.96 -0.00 0.00 0.00 178.16 181.53 1na0 h GLN 101 N 0.99 1.05 -0.49 4.88 4.20 -0.87 -1.84 115.11 123.03 1na0 h GLN 101 Ca 0.19 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1na0 h GLN 101 Cb 0.50 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1na0 h GLN 101 CO 0.02 0.80 0.16 -0.22 -0.67 0.00 0.00 178.83 178.92 1na0 h LYS 102 N 1.04 0.76 -0.82 1.46 1.63 -1.03 -2.01 116.57 117.61 1na0 h LYS 102 Ca 0.26 -0.16 0.09 0.00 -0.85 0.00 0.00 60.65 59.99 1na0 h LYS 102 Cb 0.07 -0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.52 1na0 h LYS 102 CO -0.04 0.71 0.47 0.00 -3.45 0.00 0.00 179.45 177.14 1na0 h ALA 103 N 1.02 1.16 0.00 5.00 0.00 -0.75 -2.65 119.26 123.04 1na0 h ALA 103 Ca 0.16 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1na0 h ALA 103 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1na0 h ALA 103 CO -0.01 0.10 -0.43 -0.07 0.00 0.00 0.00 179.25 178.84 1na0 h LEU 104 N 0.79 0.00 -0.47 0.00 3.38 -1.09 0.13 115.31 118.06 1na0 h LEU 104 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1na0 h LEU 104 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1na0 h LEU 104 CO -0.24 0.43 0.25 -0.33 0.09 0.00 0.00 178.44 178.64 1na0 h GLU 105 N 0.00 0.66 0.13 1.13 5.08 -1.01 -1.68 114.58 118.89 1na0 h GLU 105 Ca -0.00 -0.08 -0.28 0.00 -1.00 0.00 0.00 59.36 58.00 1na0 h GLU 105 Cb 1.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1na0 h GLU 105 CO 0.06 0.53 -1.27 -0.07 -1.00 0.00 0.00 179.01 177.25 1na0 h LEU 106 N 0.62 0.42 -6.70 1.33 3.38 -1.29 -3.41 115.31 109.66 1na0 h LEU 106 Ca 0.16 -0.46 -0.60 0.00 0.09 0.00 0.00 57.88 57.08 1na0 h LEU 106 Cb 0.06 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.28 1na0 h LEU 106 CO -0.03 1.36 -0.81 -0.62 0.09 0.00 0.00 178.44 178.43 1na0 s ASP 107 N -7.12 2.90 0.21 -0.43 2.15 0.43 -4.98 116.67 109.82 1na0 s ASP 107 Ca -0.04 -3.12 0.16 0.00 0.43 0.00 0.00 52.55 49.98 1na0 s ASP 107 Cb 0.07 -0.87 0.82 0.00 -0.30 0.00 0.00 42.92 42.63 1na0 s ASP 107 CO 0.88 -0.18 1.50 -2.65 -0.17 0.00 0.00 175.17 174.55 1na0 n PRO 108 N 2.85 0.11 -0.34 4.34 -0.02 -0.63 -2.61 135.00 138.70 1na0 n PRO 108 Ca 0.21 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.31 1na0 n PRO 108 Cb 0.41 -1.80 0.26 0.00 -0.02 0.00 0.00 33.50 32.35 1na0 n PRO 108 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1na0 n ASN 109 N -2.01 3.24 -4.55 2.55 3.02 -1.26 -4.82 115.26 111.43 1na0 n ASN 109 Ca -0.00 -2.08 -0.41 0.00 -0.03 0.00 0.00 54.58 52.05 1na0 n ASN 109 Cb 0.07 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1na0 n ASN 109 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na0 s ASN 110 N -0.95 6.37 0.20 6.41 3.84 -1.07 -4.83 114.94 124.91 1na0 s ASN 110 Ca 0.39 -1.10 -0.11 0.00 0.21 0.00 0.00 52.86 52.25 1na0 s ASN 110 Cb 0.21 -2.55 0.14 0.00 -0.55 0.00 0.00 41.25 38.50 1na0 s ASN 110 CO 0.24 -1.60 1.87 0.00 -2.79 0.00 0.00 177.10 174.82 1na0 h ALA 111 N 9.82 0.90 -0.33 1.71 0.00 -1.92 -2.37 119.26 127.08 1na0 h ALA 111 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1na0 h ALA 111 Cb 1.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1na0 h ALA 111 CO 1.35 0.32 -0.06 0.93 0.00 0.00 0.00 179.25 181.79 1na0 h GLU 112 N 0.96 0.53 -0.75 0.00 5.08 -1.99 -1.19 114.58 117.22 1na0 h GLU 112 Ca 0.26 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1na0 h GLU 112 Cb -0.11 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1na0 h GLU 112 CO -0.06 0.60 0.36 0.00 -1.00 0.00 0.00 179.01 178.92 1na0 h ALA 113 N 1.44 0.97 -0.48 3.43 0.00 -1.84 -0.97 119.26 121.80 1na0 h ALA 113 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1na0 h ALA 113 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1na0 h ALA 113 CO 0.02 0.53 0.13 0.87 0.00 0.00 0.00 179.25 180.80 1na0 h LYS 114 N 1.05 0.76 -0.17 0.00 1.57 -1.07 -0.20 116.57 118.51 1na0 h LYS 114 Ca 0.26 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1na0 h LYS 114 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1na0 h LYS 114 CO -0.03 0.73 0.06 0.37 -0.57 0.00 0.00 179.45 180.00 1na0 h GLN 115 N 0.65 0.26 -0.23 3.15 4.15 -1.09 -1.60 115.11 120.40 1na0 h GLN 115 Ca 0.15 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 1na0 h GLN 115 Cb 0.30 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1na0 h GLN 115 CO -0.00 0.37 -0.28 -0.91 -1.93 0.00 0.00 178.83 176.08 1na0 h ASN 116 N 0.10 0.45 -0.28 -0.69 2.35 -0.99 -0.62 115.58 115.89 1na0 h ASN 116 Ca 0.05 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1na0 h ASN 116 Cb 0.22 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1na0 h ASN 116 CO -0.00 0.72 0.17 0.25 -1.65 0.00 0.00 177.43 176.91 1na0 h LEU 117 N 0.39 0.34 -0.35 1.61 5.85 -0.98 0.29 115.31 122.46 1na0 h LEU 117 Ca 0.05 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1na0 h LEU 117 Cb 0.69 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1na0 h LEU 117 CO 0.05 0.30 0.19 1.23 -0.34 0.00 0.00 178.44 179.87 1na0 h GLY 118 N 0.35 0.52 0.98 3.75 0.00 -0.86 -1.27 103.07 106.53 1na0 h GLY 118 Ca 0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1na0 h GLY 118 CO -0.02 0.23 0.12 -0.57 0.00 0.00 0.00 176.54 176.30 1na0 h ASN 119 N 0.43 0.76 -0.52 0.19 -0.73 -0.85 -2.48 115.58 112.38 1na0 h ASN 119 Ca 0.12 -0.23 0.03 0.00 1.87 0.00 0.00 56.30 58.09 1na0 h ASN 119 Cb 0.06 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.41 1na0 h ASN 119 CO -0.02 0.79 0.29 0.00 -0.37 0.00 0.00 177.43 178.13 1na0 h ALA 120 N 0.99 0.67 -0.80 1.57 0.00 -0.24 -1.09 119.26 120.36 1na0 h ALA 120 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1na0 h ALA 120 Cb 0.33 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1na0 h ALA 120 CO 0.00 -0.03 0.52 0.87 0.00 0.00 0.00 179.25 180.62 1na0 h LYS 121 N 0.57 0.85 -0.31 0.00 1.57 -1.06 -1.75 116.57 116.45 1na0 h LYS 121 Ca 0.22 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1na0 h LYS 121 Cb 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1na0 h LYS 121 CO -0.12 0.57 0.08 1.96 -0.57 0.00 0.00 179.45 181.36 1na0 h GLN 122 N 0.88 0.50 -0.59 3.15 4.20 -0.87 -1.01 115.11 121.38 1na0 h GLN 122 Ca 0.34 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.97 1na0 h GLN 122 Cb 0.22 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1na0 h GLN 122 CO -0.12 0.57 0.34 0.87 -0.67 0.00 0.00 178.83 179.82 1na0 h LYS 123 N 0.35 0.64 0.22 1.46 1.79 -0.37 -3.13 116.57 117.53 1na0 h LYS 123 Ca 0.10 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1na0 h LYS 123 Cb 0.29 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1na0 h LYS 123 CO 0.00 0.42 -0.10 -0.56 -1.08 0.00 0.00 179.45 178.13 1na0 h GLN 124 N 0.66 -0.28 0.00 3.15 3.07 -1.44 -3.52 115.11 116.75 1na0 h GLN 124 Ca 0.25 0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.01 1na0 h GLN 124 Cb 0.08 0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1na0 h GLN 124 CO -0.13 -0.09 0.00 0.41 0.09 0.00 0.00 178.83 179.11