#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1na3 h ASN 2 N 0.00 -0.73 -0.43 1.61 -1.24 -2.00 -0.52 115.58 112.26 1na3 h ASN 2 Ca 0.00 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1na3 h ASN 2 Cb 0.00 0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 1na3 h ASN 2 CO 0.00 -0.26 0.20 -1.28 -1.29 0.00 0.00 177.43 174.80 1na3 h SER 3 N -0.36 0.57 -0.34 1.15 0.87 -2.01 -2.45 113.55 110.99 1na3 h SER 3 Ca -0.01 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1na3 h SER 3 Cb 0.35 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1na3 h SER 3 CO -0.12 0.55 0.22 0.00 -0.53 0.00 0.00 176.83 176.95 1na3 h ALA 4 N 1.05 0.43 -0.71 6.23 0.00 -1.84 -0.98 119.26 123.44 1na3 h ALA 4 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1na3 h ALA 4 Cb 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1na3 h ALA 4 CO -0.02 -0.12 0.26 0.93 0.00 0.00 0.00 179.25 180.31 1na3 h GLU 5 N 0.45 1.06 -0.49 0.00 5.08 -1.01 -1.21 114.58 118.45 1na3 h GLU 5 Ca 0.12 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1na3 h GLU 5 Cb -0.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1na3 h GLU 5 CO -0.03 0.87 -0.14 0.00 -1.00 0.00 0.00 179.01 178.71 1na3 h ALA 6 N 1.26 0.82 -0.71 3.43 0.00 -0.94 0.40 119.26 123.52 1na3 h ALA 6 Ca 0.24 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1na3 h ALA 6 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1na3 h ALA 6 CO -0.02 0.65 0.28 -1.49 0.00 0.00 0.00 179.25 178.67 1na3 h TRP 7 N 0.83 1.08 -0.12 0.00 4.06 -0.97 -1.06 115.95 119.77 1na3 h TRP 7 Ca 0.13 -0.08 0.01 0.00 2.06 0.00 0.00 58.89 61.00 1na3 h TRP 7 Cb 0.68 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 1na3 h TRP 7 CO 0.04 0.83 0.04 -0.92 -3.56 0.00 0.00 178.44 174.88 1na3 h TYR 8 N 1.01 0.08 -0.31 0.49 3.20 -0.88 -0.35 116.97 120.20 1na3 h TYR 8 Ca 0.23 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1na3 h TYR 8 Cb 0.22 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1na3 h TYR 8 CO 0.02 0.04 0.10 -0.91 -1.64 0.00 0.00 178.16 175.77 1na3 h ASN 9 N 0.10 0.40 -0.46 -2.11 -0.26 -0.75 -0.52 115.58 111.98 1na3 h ASN 9 Ca 0.05 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1na3 h ASN 9 Cb 0.03 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1na3 h ASN 9 CO -0.05 0.39 0.15 0.25 -1.06 0.00 0.00 177.43 177.10 1na3 h LEU 10 N 0.44 0.67 -0.73 1.61 5.85 -0.71 -1.32 115.31 121.13 1na3 h LEU 10 Ca 0.11 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1na3 h LEU 10 Cb 0.14 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1na3 h LEU 10 CO -0.01 0.70 0.48 1.23 -0.34 0.00 0.00 178.44 180.50 1na3 h GLY 11 N 0.61 1.02 0.78 3.75 0.00 -0.19 -1.51 103.07 107.54 1na3 h GLY 11 Ca 0.15 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.15 1na3 h GLY 11 CO -0.01 0.37 0.50 3.43 0.00 0.00 0.00 176.54 180.84 1na3 h ASN 12 N 0.98 0.81 -0.69 0.19 -0.26 -0.79 0.10 115.58 115.92 1na3 h ASN 12 Ca 0.27 0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.94 1na3 h ASN 12 Cb -0.11 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1na3 h ASN 12 CO -0.06 0.54 0.14 0.00 -1.06 0.00 0.00 177.43 176.98 1na3 h ALA 13 N 1.37 0.94 -0.15 -0.83 0.00 -0.60 -0.98 119.26 119.01 1na3 h ALA 13 Ca 0.34 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1na3 h ALA 13 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1na3 h ALA 13 CO -0.15 0.67 -0.72 1.88 0.00 0.00 0.00 179.25 180.93 1na3 h TYR 14 N 1.06 0.87 -0.58 0.00 -1.99 -0.93 -2.49 116.97 112.91 1na3 h TYR 14 Ca 0.21 -0.37 0.08 0.00 2.00 0.00 0.00 58.73 60.65 1na3 h TYR 14 Cb 0.41 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 38.94 1na3 h TYR 14 CO 0.03 1.17 0.25 -0.92 -0.00 0.00 0.00 178.16 178.69 1na3 h TYR 15 N 0.46 0.44 0.00 4.88 3.20 -0.53 -0.67 116.97 124.75 1na3 h TYR 15 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1na3 h TYR 15 Cb 1.32 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 1na3 h TYR 15 CO 0.07 0.15 -0.07 0.87 -1.64 0.00 0.00 178.16 177.54 1na3 h LYS 16 N 0.45 0.00 0.00 1.82 1.57 -1.01 0.40 116.57 119.80 1na3 h LYS 16 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1na3 h LYS 16 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1na3 h LYS 16 CO -0.25 0.07 0.00 1.04 -0.57 0.00 0.00 179.45 179.73 1na3 n GLN 17 N -3.23 0.08 -1.40 3.15 6.02 -0.77 -4.92 117.38 116.31 1na3 n GLN 17 Ca -0.00 0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 1na3 n GLN 17 Cb 0.30 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 1na3 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na3 n GLY 18 N 1.25 0.51 3.04 1.08 0.00 0.13 -4.97 105.19 106.23 1na3 n GLY 18 Ca 0.08 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1na3 n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1na3 n ASP 19 N 1.45 5.45 0.05 1.61 8.00 -0.33 -4.89 116.55 127.89 1na3 n ASP 19 Ca -0.03 -3.27 -0.04 0.00 0.71 0.00 0.00 54.79 52.16 1na3 n ASP 19 Cb 0.24 -1.19 0.18 0.00 -0.02 0.00 0.00 41.12 40.33 1na3 n ASP 19 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1na3 h TYR 20 N 5.71 0.43 -0.23 1.24 -1.99 -1.89 -1.65 116.97 118.59 1na3 h TYR 20 Ca 0.19 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1na3 h TYR 20 Cb 0.72 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.35 1na3 h TYR 20 CO 0.85 0.72 0.14 -0.44 -0.00 0.00 0.00 178.16 179.43 1na3 h ASP 21 N 0.31 0.27 -0.44 3.88 3.32 -1.93 -0.96 116.42 120.88 1na3 h ASP 21 Ca 0.03 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1na3 h ASP 21 Cb 0.84 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1na3 h ASP 21 CO 0.07 0.23 0.08 -0.33 -1.72 0.00 0.00 179.24 177.57 1na3 h GLU 22 N 0.29 0.72 -0.57 3.56 3.07 -1.93 -2.50 114.58 117.22 1na3 h GLU 22 Ca 0.08 -0.19 0.08 0.00 -0.50 0.00 0.00 59.36 58.83 1na3 h GLU 22 Cb 0.00 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.76 1na3 h GLU 22 CO -0.02 0.74 0.24 0.00 -1.40 0.00 0.00 179.01 178.57 1na3 h ALA 23 N 0.95 0.73 -0.55 3.43 0.00 -1.01 -1.39 119.26 121.43 1na3 h ALA 23 Ca 0.13 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1na3 h ALA 23 Cb 0.36 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1na3 h ALA 23 CO 0.01 -0.16 0.34 0.82 0.00 0.00 0.00 179.25 180.26 1na3 h ILE 24 N 0.44 1.09 -0.60 0.00 2.04 -1.02 0.13 117.51 119.58 1na3 h ILE 24 Ca 0.28 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1na3 h ILE 24 Cb 0.29 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1na3 h ILE 24 CO -0.25 0.13 0.31 -0.08 0.00 0.00 0.00 178.15 178.25 1na3 h GLU 25 N 0.69 0.57 0.01 2.37 4.81 -0.84 0.07 114.58 122.25 1na3 h GLU 25 Ca 0.22 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 59.15 1na3 h GLU 25 Cb -0.01 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.26 1na3 h GLU 25 CO -0.08 0.38 -1.03 1.88 -0.73 0.00 0.00 179.01 179.43 1na3 h TYR 26 N 0.58 0.92 -0.58 0.92 0.99 -0.94 -2.21 116.97 116.66 1na3 h TYR 26 Ca 0.27 -0.51 -0.04 0.00 2.00 0.00 0.00 58.73 60.46 1na3 h TYR 26 Cb 0.18 -0.10 -0.03 0.00 1.00 0.00 0.00 36.73 37.78 1na3 h TYR 26 CO -0.10 1.34 0.21 1.88 -0.00 0.00 0.00 178.16 181.49 1na3 h TYR 27 N 0.34 0.87 -0.67 4.88 0.99 -0.59 -0.98 116.97 121.80 1na3 h TYR 27 Ca -0.12 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.53 1na3 h TYR 27 Cb 1.68 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 39.11 1na3 h TYR 27 CO 0.09 0.69 0.31 1.96 -0.00 0.00 0.00 178.16 181.20 1na3 h GLN 28 N 0.84 0.98 -0.49 4.88 4.20 -0.88 -1.16 115.11 123.48 1na3 h GLN 28 Ca 0.20 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1na3 h GLN 28 Cb 0.20 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1na3 h GLN 28 CO -0.01 0.79 0.19 -0.22 -0.67 0.00 0.00 178.83 178.91 1na3 h LYS 29 N 0.94 0.74 -0.68 1.46 1.63 -1.04 -1.14 116.57 118.49 1na3 h LYS 29 Ca 0.23 -0.14 0.08 0.00 -0.85 0.00 0.00 60.65 59.97 1na3 h LYS 29 Cb 0.14 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.59 1na3 h LYS 29 CO -0.03 0.67 0.35 0.00 -3.45 0.00 0.00 179.45 176.99 1na3 h ALA 30 N 1.04 0.92 0.00 5.00 0.00 -0.88 -2.53 119.26 122.81 1na3 h ALA 30 Ca 0.16 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1na3 h ALA 30 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1na3 h ALA 30 CO -0.01 -0.03 -0.56 -0.07 0.00 0.00 0.00 179.25 178.57 1na3 h LEU 31 N 0.61 0.00 -0.68 0.00 3.38 -0.82 0.60 115.31 118.40 1na3 h LEU 31 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1na3 h LEU 31 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1na3 h LEU 31 CO -0.24 0.56 0.38 -0.33 0.09 0.00 0.00 178.44 178.91 1na3 h GLU 32 N 0.00 0.95 0.02 1.13 5.08 -0.90 -2.36 114.58 118.49 1na3 h GLU 32 Ca -0.01 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 1na3 h GLU 32 Cb 1.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1na3 h GLU 32 CO 0.07 0.71 -1.00 -0.07 -1.00 0.00 0.00 179.01 177.72 1na3 h LEU 33 N 0.94 0.07 -6.16 1.33 3.38 -1.02 -3.42 115.31 110.42 1na3 h LEU 33 Ca 0.24 -0.07 -0.37 0.00 0.09 0.00 0.00 57.88 57.77 1na3 h LEU 33 Cb 0.03 -0.02 -0.30 0.00 0.09 0.00 0.00 40.66 40.46 1na3 h LEU 33 CO -0.04 1.02 -0.71 -0.62 0.09 0.00 0.00 178.44 178.18 1na3 s ASP 34 N -6.79 0.78 0.00 -0.43 2.15 0.16 -4.91 116.67 107.63 1na3 s ASP 34 Ca 0.00 -1.88 0.19 0.00 0.43 0.00 0.00 52.55 51.29 1na3 s ASP 34 Cb 0.10 0.59 1.08 0.00 -0.30 0.00 0.00 42.92 44.39 1na3 s ASP 34 CO 0.82 -0.21 1.57 -0.81 -0.17 0.00 0.00 175.17 176.38 1na3 n PRO 35 N 3.79 0.47 -0.12 4.34 -0.04 -0.90 -2.63 135.00 139.92 1na3 n PRO 35 Ca 0.16 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1na3 n PRO 35 Cb 0.47 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.75 1na3 n PRO 35 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1na3 n ASN 36 N -1.12 2.12 -4.54 3.54 3.02 -1.26 -4.77 115.26 112.24 1na3 n ASN 36 Ca 0.12 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.45 1na3 n ASN 36 Cb 0.10 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1na3 n ASN 36 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na3 s ASN 37 N -1.49 6.52 0.28 6.41 3.84 -1.08 -4.84 114.94 124.59 1na3 s ASN 37 Ca 0.33 -1.57 -0.02 0.00 0.21 0.00 0.00 52.86 51.81 1na3 s ASN 37 Cb 0.18 -2.53 0.42 0.00 -0.55 0.00 0.00 41.25 38.77 1na3 s ASN 37 CO 0.26 -1.42 1.92 0.00 -2.79 0.00 0.00 177.10 175.08 1na3 h ALA 38 N 9.59 1.41 0.00 1.71 0.00 -1.90 -1.92 119.26 128.16 1na3 h ALA 38 Ca 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1na3 h ALA 38 Cb 1.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1na3 h ALA 38 CO 1.36 0.49 -0.30 1.49 0.00 0.00 0.00 179.25 182.29 1na3 h GLU 39 N 1.16 0.00 -0.38 0.00 4.57 -1.92 -1.58 114.58 116.42 1na3 h GLU 39 Ca 0.37 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.44 1na3 h GLU 39 Cb 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1na3 h GLU 39 CO -0.12 0.30 -0.20 0.00 -1.18 0.00 0.00 179.01 177.80 1na3 h ALA 40 N 1.70 0.54 -0.60 2.92 0.00 -1.77 -0.01 119.26 122.05 1na3 h ALA 40 Ca -0.00 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1na3 h ALA 40 Cb 0.54 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1na3 h ALA 40 CO 0.04 0.50 0.36 -1.49 0.00 0.00 0.00 179.25 178.66 1na3 h TRP 41 N 0.62 0.67 -0.29 0.00 4.06 -1.08 0.36 115.95 120.29 1na3 h TRP 41 Ca 0.08 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 1na3 h TRP 41 Cb 0.76 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1na3 h TRP 41 CO 0.06 0.38 0.13 -0.92 -3.56 0.00 0.00 178.44 174.52 1na3 h TYR 42 N 0.71 0.43 -0.09 0.49 3.20 -1.05 -0.64 116.97 120.02 1na3 h TYR 42 Ca 0.24 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1na3 h TYR 42 Cb 0.03 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1na3 h TYR 42 CO -0.06 0.41 -0.52 -0.91 -1.64 0.00 0.00 178.16 175.45 1na3 h ASN 43 N 0.33 0.28 -0.46 -2.11 2.35 -0.79 -0.92 115.58 114.26 1na3 h ASN 43 Ca 0.10 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1na3 h ASN 43 Cb 0.15 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1na3 h ASN 43 CO -0.01 0.75 0.27 0.25 -1.65 0.00 0.00 177.43 177.04 1na3 h LEU 44 N 0.20 0.44 -0.46 1.61 5.85 -0.77 -0.54 115.31 121.64 1na3 h LEU 44 Ca 0.01 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1na3 h LEU 44 Cb 0.98 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1na3 h LEU 44 CO 0.08 0.31 0.05 1.23 -0.34 0.00 0.00 178.44 179.78 1na3 h GLY 45 N 0.55 0.52 0.99 3.75 0.00 -0.44 -1.98 103.07 106.45 1na3 h GLY 45 Ca 0.18 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1na3 h GLY 45 CO -0.08 -0.09 0.59 3.43 0.00 0.00 0.00 176.54 180.39 1na3 h ASN 46 N 0.18 1.02 -0.65 0.19 -0.26 -0.64 -0.01 115.58 115.40 1na3 h ASN 46 Ca 0.23 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1na3 h ASN 46 Cb 0.32 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 1na3 h ASN 46 CO -0.33 0.73 0.37 0.00 -1.06 0.00 0.00 177.43 177.14 1na3 h ALA 47 N 1.33 0.83 -0.55 -0.83 0.00 -0.49 0.47 119.26 120.03 1na3 h ALA 47 Ca 0.33 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1na3 h ALA 47 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1na3 h ALA 47 CO -0.08 0.33 0.01 1.88 0.00 0.00 0.00 179.25 181.39 1na3 h TYR 48 N 0.89 1.05 -0.49 0.00 -1.99 -1.05 -2.58 116.97 112.79 1na3 h TYR 48 Ca 0.23 -0.18 0.09 0.00 2.00 0.00 0.00 58.73 60.88 1na3 h TYR 48 Cb 0.01 -0.27 -0.08 0.00 2.00 0.00 0.00 36.73 38.39 1na3 h TYR 48 CO -0.01 0.95 0.02 -0.92 -0.00 0.00 0.00 178.16 178.20 1na3 h TYR 49 N 0.84 0.01 0.00 4.88 3.20 -0.64 0.95 116.97 126.22 1na3 h TYR 49 Ca 0.16 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1na3 h TYR 49 Cb 0.53 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1na3 h TYR 49 CO 0.04 -0.09 -0.15 0.87 -1.64 0.00 0.00 178.16 177.20 1na3 h LYS 50 N 0.14 0.00 -0.01 1.82 1.79 -0.71 -0.06 116.57 119.55 1na3 h LYS 50 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1na3 h LYS 50 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1na3 h LYS 50 CO -0.39 0.15 -0.03 1.04 -1.08 0.00 0.00 179.45 179.13 1na3 n GLN 51 N -4.25 1.15 -1.03 3.15 6.02 -0.72 -4.93 117.38 116.77 1na3 n GLN 51 Ca -0.02 -0.40 -0.01 0.00 -0.01 0.00 0.00 57.00 56.56 1na3 n GLN 51 Cb 0.22 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.98 1na3 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na3 n GLY 52 N 1.14 0.48 3.27 1.08 0.00 -0.04 -4.96 105.19 106.16 1na3 n GLY 52 Ca 0.20 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 1na3 n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1na3 n ASP 53 N 1.14 5.52 0.10 1.61 8.00 0.24 -4.84 116.55 128.31 1na3 n ASP 53 Ca -0.01 -3.09 -0.05 0.00 0.71 0.00 0.00 54.79 52.35 1na3 n ASP 53 Cb 0.04 -1.44 0.08 0.00 -0.02 0.00 0.00 41.12 39.79 1na3 n ASP 53 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1na3 h TYR 54 N 6.50 0.19 -0.63 1.24 -1.99 -1.90 -1.68 116.97 118.70 1na3 h TYR 54 Ca 0.25 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1na3 h TYR 54 Cb 0.80 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 39.47 1na3 h TYR 54 CO 0.97 0.80 0.40 -0.44 -0.00 0.00 0.00 178.16 179.89 1na3 h ASP 55 N 0.09 0.75 -0.21 3.88 3.45 -1.92 -0.12 116.42 122.34 1na3 h ASP 55 Ca -0.02 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.35 1na3 h ASP 55 Cb 1.26 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 1na3 h ASP 55 CO 0.10 0.56 -0.07 -0.33 -1.57 0.00 0.00 179.24 177.94 1na3 h GLU 56 N 0.86 0.42 -0.54 3.56 3.07 -1.92 -2.32 114.58 117.71 1na3 h GLU 56 Ca 0.23 -0.17 0.10 0.00 -0.50 0.00 0.00 59.36 59.02 1na3 h GLU 56 Cb -0.06 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 27.75 1na3 h GLU 56 CO -0.05 0.68 0.05 0.00 -1.40 0.00 0.00 179.01 178.29 1na3 h ALA 57 N 0.72 0.56 -0.17 3.43 0.00 -1.02 -1.33 119.26 121.46 1na3 h ALA 57 Ca 0.05 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1na3 h ALA 57 Cb 0.54 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1na3 h ALA 57 CO 0.02 -0.36 0.02 0.82 0.00 0.00 0.00 179.25 179.76 1na3 h ILE 58 N 0.17 0.91 -0.71 0.00 2.04 -0.91 0.16 117.51 119.16 1na3 h ILE 58 Ca 0.28 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.13 1na3 h ILE 58 Cb 0.42 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1na3 h ILE 58 CO -0.42 0.01 0.46 -0.33 0.00 0.00 0.00 178.15 177.88 1na3 h GLU 59 N 0.08 0.90 -0.08 2.37 5.08 -0.78 -1.07 114.58 121.08 1na3 h GLU 59 Ca 0.08 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1na3 h GLU 59 Cb 0.08 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1na3 h GLU 59 CO -0.11 0.59 -0.76 1.88 -1.00 0.00 0.00 179.01 179.61 1na3 h TYR 60 N 0.92 0.66 -0.78 4.33 0.99 -1.00 -1.77 116.97 120.31 1na3 h TYR 60 Ca 0.27 -0.30 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1na3 h TYR 60 Cb -0.05 -0.10 -0.04 0.00 1.00 0.00 0.00 36.73 37.55 1na3 h TYR 60 CO -0.03 1.08 0.34 1.88 -0.00 0.00 0.00 178.16 181.43 1na3 h TYR 61 N 0.32 1.16 -0.65 4.88 0.99 -0.82 -0.48 116.97 122.37 1na3 h TYR 61 Ca -0.04 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.56 1na3 h TYR 61 Cb 1.36 -0.35 -0.03 0.00 1.00 0.00 0.00 36.73 38.70 1na3 h TYR 61 CO 0.05 0.87 0.18 1.96 -0.00 0.00 0.00 178.16 181.22 1na3 h GLN 62 N 1.12 1.01 -0.39 4.88 4.20 -1.04 -0.42 115.11 124.46 1na3 h GLN 62 Ca 0.26 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1na3 h GLN 62 Cb 0.17 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1na3 h GLN 62 CO -0.03 0.88 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.78 1na3 h LYS 63 N 0.97 0.70 -0.83 1.46 1.63 -0.96 -1.39 116.57 118.14 1na3 h LYS 63 Ca 0.21 -0.23 0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1na3 h LYS 63 Cb 0.31 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.82 1na3 h LYS 63 CO -0.00 0.79 0.51 0.00 -3.45 0.00 0.00 179.45 177.30 1na3 h ALA 64 N 0.88 1.12 0.00 5.00 0.00 -0.68 -2.30 119.26 123.27 1na3 h ALA 64 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1na3 h ALA 64 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1na3 h ALA 64 CO 0.02 0.26 -0.44 -0.07 0.00 0.00 0.00 179.25 179.03 1na3 h LEU 65 N 0.95 0.00 -0.52 0.00 3.38 -0.88 0.13 115.31 118.37 1na3 h LEU 65 Ca 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 1na3 h LEU 65 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1na3 h LEU 65 CO -0.16 0.44 0.12 -0.08 0.09 0.00 0.00 178.44 178.85 1na3 h GLU 66 N 0.00 0.83 0.08 1.13 4.81 -0.71 -2.43 114.58 118.28 1na3 h GLU 66 Ca -0.00 -0.20 -0.25 0.00 -0.13 0.00 0.00 59.36 58.77 1na3 h GLU 66 Cb 1.00 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1na3 h GLU 66 CO 0.06 0.80 -1.14 -0.07 -0.73 0.00 0.00 179.01 177.93 1na3 h LEU 67 N 0.72 0.27 -6.24 1.64 3.38 -1.18 -3.41 115.31 110.49 1na3 h LEU 67 Ca 0.16 -0.28 -0.58 0.00 0.09 0.00 0.00 57.88 57.27 1na3 h LEU 67 Cb 0.35 -0.09 -0.38 0.00 0.09 0.00 0.00 40.66 40.63 1na3 h LEU 67 CO 0.00 1.21 -1.01 -0.67 0.09 0.00 0.00 178.44 178.07 1na3 n ASP 68 N -3.48 -0.37 0.12 -0.43 2.03 0.43 -5.00 116.55 109.86 1na3 n ASP 68 Ca -0.05 -2.47 0.19 0.00 0.52 0.00 0.00 54.79 52.98 1na3 n ASP 68 Cb 0.98 -0.54 0.76 0.00 -0.72 0.00 0.00 41.12 41.60 1na3 n ASP 68 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1na3 h PRO 69 N 5.18 0.00 -0.49 -0.67 0.11 -1.67 -1.92 132.00 132.55 1na3 h PRO 69 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1na3 h PRO 69 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1na3 h PRO 69 CO 0.39 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.27 1na3 n ASN 70 N -3.95 2.44 -4.55 -2.05 3.02 -1.26 -4.77 115.26 104.13 1na3 n ASN 70 Ca 0.05 -2.12 -0.36 0.00 -0.03 0.00 0.00 54.58 52.12 1na3 n ASN 70 Cb 0.49 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 1na3 n ASN 70 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na3 s ASN 71 N -0.85 5.54 0.23 6.41 3.84 -0.72 -4.84 114.94 124.56 1na3 s ASN 71 Ca 0.27 -0.30 -0.01 0.00 0.21 0.00 0.00 52.86 53.02 1na3 s ASN 71 Cb 0.16 -2.55 0.25 0.00 -0.55 0.00 0.00 41.25 38.56 1na3 s ASN 71 CO 0.15 -2.28 1.62 0.00 -2.79 0.00 0.00 177.10 173.80 1na3 h ALA 72 N 12.43 0.90 -0.70 1.71 0.00 -1.90 -2.19 119.26 129.51 1na3 h ALA 72 Ca -0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1na3 h ALA 72 Cb 1.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1na3 h ALA 72 CO 1.25 0.63 0.23 0.93 0.00 0.00 0.00 179.25 182.29 1na3 h GLU 73 N 0.49 1.08 -0.65 0.00 5.08 -1.99 -0.61 114.58 117.98 1na3 h GLU 73 Ca 0.05 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1na3 h GLU 73 Cb 0.83 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1na3 h GLU 73 CO 0.07 0.93 0.42 0.00 -1.00 0.00 0.00 179.01 179.43 1na3 h ALA 74 N 1.11 0.84 -0.47 3.43 0.00 -1.83 -0.68 119.26 121.65 1na3 h ALA 74 Ca 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1na3 h ALA 74 Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1na3 h ALA 74 CO -0.01 0.22 0.18 -0.22 0.00 0.00 0.00 179.25 179.42 1na3 h LYS 75 N 0.85 0.71 -0.03 0.00 3.64 -0.89 -0.59 116.57 120.25 1na3 h LYS 75 Ca 0.25 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1na3 h LYS 75 Cb -0.06 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1na3 h LYS 75 CO -0.07 0.64 0.02 1.96 -2.27 0.00 0.00 179.45 179.73 1na3 h GLN 76 N 0.62 0.05 -0.03 1.90 4.20 -0.98 -2.39 115.11 118.47 1na3 h GLN 76 Ca 0.16 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1na3 h GLN 76 Cb 0.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1na3 h GLN 76 CO -0.01 0.07 -0.55 -0.91 -0.67 0.00 0.00 178.83 176.76 1na3 h ASN 77 N 0.01 0.10 -0.12 1.46 2.35 -1.03 -1.20 115.58 117.15 1na3 h ASN 77 Ca 0.01 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1na3 h ASN 77 Cb 0.04 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1na3 h ASN 77 CO -0.00 0.63 0.00 0.25 -1.65 0.00 0.00 177.43 176.66 1na3 h LEU 78 N 0.07 -0.04 -0.60 1.61 5.85 -1.01 0.53 115.31 121.72 1na3 h LEU 78 Ca -0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1na3 h LEU 78 Cb 0.99 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1na3 h LEU 78 CO 0.08 -0.00 0.37 1.23 -0.34 0.00 0.00 178.44 179.78 1na3 h GLY 79 N 0.04 0.85 0.92 3.75 0.00 -0.99 0.09 103.07 107.74 1na3 h GLY 79 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1na3 h GLY 79 CO -0.09 0.25 -0.05 3.43 0.00 0.00 0.00 176.54 180.07 1na3 h ASN 80 N 0.74 -0.15 -0.91 0.19 2.35 -1.05 -2.33 115.58 114.43 1na3 h ASN 80 Ca 0.24 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1na3 h ASN 80 Cb -0.01 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 1na3 h ASN 80 CO -0.09 -0.09 0.60 0.00 -1.65 0.00 0.00 177.43 176.21 1na3 h ALA 81 N 0.83 1.16 -0.26 -0.83 0.00 -0.55 -1.95 119.26 117.66 1na3 h ALA 81 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1na3 h ALA 81 Cb 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1na3 h ALA 81 CO -0.02 0.55 -0.07 0.87 0.00 0.00 0.00 179.25 180.58 1na3 h LYS 82 N 1.23 0.41 -0.15 0.00 1.57 -0.80 -1.84 116.57 116.99 1na3 h LYS 82 Ca 0.34 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.85 1na3 h LYS 82 Cb -0.13 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1na3 h LYS 82 CO -0.08 0.49 -0.62 0.37 -0.57 0.00 0.00 179.45 179.05 1na3 h GLN 83 N 0.39 0.52 -0.40 3.15 4.15 -0.87 -2.51 115.11 119.53 1na3 h GLN 83 Ca 0.08 -0.36 -0.07 0.00 0.77 0.00 0.00 58.65 59.07 1na3 h GLN 83 Cb 0.37 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1na3 h GLN 83 CO 0.02 0.98 -0.03 0.87 -1.93 0.00 0.00 178.83 178.73 1na3 h LYS 84 N 0.38 0.73 0.04 1.69 1.57 -0.94 -3.35 116.57 116.69 1na3 h LYS 84 Ca -0.01 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1na3 h LYS 84 Cb 1.18 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1na3 h LYS 84 CO 0.11 0.83 -0.58 -0.56 -0.57 0.00 0.00 179.45 178.69 1na3 h GLN 85 N 0.55 0.09 -0.00 3.15 3.07 -1.28 -3.52 115.11 117.17 1na3 h GLN 85 Ca 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1na3 h GLN 85 Cb 0.53 0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1na3 h GLN 85 CO 0.03 1.08 0.00 0.41 0.09 0.00 0.00 178.83 180.43