#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da6 n SER 2 N 0.00 -4.14 -4.52 1.61 2.88 -1.26 -4.87 113.62 103.33 2da6 n SER 2 Ca 0.00 0.52 -0.43 0.00 -1.33 0.00 0.00 58.87 57.64 2da6 n SER 2 Cb 0.00 -0.85 -0.07 0.00 -0.75 0.00 0.00 64.21 62.54 2da6 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2da6 s SER 3 N -1.03 6.32 0.02 -3.46 0.15 -1.26 -4.76 113.70 109.68 2da6 s SER 3 Ca 0.53 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2da6 s SER 3 Cb -0.40 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2da6 s SER 3 CO 0.70 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2da6 n GLY 4 N 4.98 -3.98 3.57 9.45 0.00 -1.26 -4.80 105.19 113.16 2da6 n GLY 4 Ca -0.02 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 2da6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 s SER 5 N -0.22 6.27 0.18 1.61 0.01 -1.26 -4.96 113.70 115.33 2da6 s SER 5 Ca 0.00 -1.91 -0.30 0.00 1.31 0.00 0.00 55.95 55.05 2da6 s SER 5 Cb 0.00 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2da6 s SER 5 CO 0.00 -1.74 1.15 -0.44 0.41 0.00 0.00 173.24 172.61 2da6 s SER 6 N 5.16 7.18 0.00 2.44 0.01 -1.26 -4.81 113.70 122.42 2da6 s SER 6 Ca 0.56 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.98 2da6 s SER 6 Cb 0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2da6 s SER 6 CO 0.04 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2da6 n GLY 7 N 2.14 -0.86 2.93 3.44 0.00 -1.26 -4.81 105.19 106.77 2da6 n GLY 7 Ca 0.04 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 2da6 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2da6 s ARG 8 N 0.00 1.70 -0.26 1.61 3.52 -1.26 -5.08 118.95 119.17 2da6 s ARG 8 Ca 0.00 -2.27 -0.17 0.00 -0.13 0.00 0.00 55.73 53.16 2da6 s ARG 8 Cb 0.00 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 2da6 s ARG 8 CO 0.00 -1.06 0.46 -0.80 -0.81 0.00 0.00 175.30 173.09 2da6 s ASN 9 N 0.21 6.38 -0.18 -2.12 -0.87 -1.26 -5.06 114.94 112.04 2da6 s ASN 9 Ca 0.15 0.45 -0.12 0.00 -1.57 0.00 0.00 52.86 51.77 2da6 s ASN 9 Cb -0.23 -2.26 -0.05 0.00 -0.02 0.00 0.00 41.25 38.69 2da6 s ASN 9 CO -0.03 -0.24 0.20 -0.13 -2.57 0.00 0.00 177.10 174.33 2da6 s ARG 10 N 2.17 4.19 -0.13 -0.60 0.52 -1.26 -5.08 118.95 118.76 2da6 s ARG 10 Ca 0.19 -0.08 -0.12 0.00 -0.52 0.00 0.00 55.73 55.20 2da6 s ARG 10 Cb -0.16 -3.41 0.04 0.00 0.52 0.00 0.00 34.95 31.94 2da6 s ARG 10 CO 0.09 0.29 0.35 0.12 0.02 0.00 0.00 175.30 176.18 2da6 s PHE 11 N 0.35 -0.40 -0.06 -0.53 2.19 -1.26 -4.93 117.98 113.34 2da6 s PHE 11 Ca 0.12 0.96 0.03 0.00 0.33 0.00 0.00 56.93 58.37 2da6 s PHE 11 Cb -0.12 0.14 0.00 0.00 -1.31 0.00 0.00 43.02 41.73 2da6 s PHE 11 CO 0.01 -0.20 -0.15 0.21 1.83 0.00 0.00 175.22 176.92 2da6 s LYS 12 N 0.30 1.87 0.83 10.12 2.47 -1.26 -5.14 119.74 128.93 2da6 s LYS 12 Ca -0.01 -0.54 -0.11 0.00 -1.56 0.00 0.00 55.97 53.75 2da6 s LYS 12 Cb -0.03 -1.55 0.09 0.00 -1.46 0.00 0.00 37.83 34.88 2da6 s LYS 12 CO -0.01 0.13 1.10 -1.58 0.16 0.00 0.00 175.35 175.16 2da6 s TRP 13 N 0.36 2.31 0.20 4.03 0.52 -1.26 -4.99 118.94 120.12 2da6 s TRP 13 Ca -0.11 1.57 0.03 0.00 0.02 0.00 0.00 56.10 57.62 2da6 s TRP 13 Cb -0.14 -3.13 0.03 0.00 -1.15 0.00 0.00 33.47 29.08 2da6 s TRP 13 CO 0.04 -2.14 0.27 0.41 0.02 0.00 0.00 176.95 175.55 2da6 n GLY 14 N -0.84 2.03 0.10 0.98 0.00 -1.26 -4.93 105.19 101.28 2da6 n GLY 14 Ca 0.09 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 2da6 n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 h PRO 15 N 0.00 0.20 0.03 1.61 0.13 -2.00 -2.84 132.00 129.12 2da6 h PRO 15 Ca -0.10 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2da6 h PRO 15 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2da6 h PRO 15 CO 0.14 0.63 -0.01 0.00 -0.23 0.00 0.00 178.00 178.53 2da6 h ALA 16 N 0.57 -0.04 -0.40 -0.56 0.00 -1.96 -3.26 119.26 113.61 2da6 h ALA 16 Ca 0.01 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2da6 h ALA 16 Cb 0.59 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2da6 h ALA 16 CO 0.02 -0.10 -0.53 0.77 0.00 0.00 0.00 179.25 179.41 2da6 h SER 17 N -0.87 -1.77 -0.68 0.00 0.02 -1.85 -1.93 113.55 106.46 2da6 h SER 17 Ca -0.00 0.23 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 2da6 h SER 17 Cb 0.72 0.73 -0.10 0.00 0.14 0.00 0.00 62.40 63.89 2da6 h SER 17 CO 0.01 -0.38 -0.57 1.56 -1.14 0.00 0.00 176.83 176.31 2da6 h GLN 18 N -0.37 -0.21 -0.88 3.45 4.20 -1.65 0.16 115.11 119.81 2da6 h GLN 18 Ca 0.07 0.01 0.23 0.00 0.06 0.00 0.00 58.65 59.02 2da6 h GLN 18 Cb 0.56 0.05 -0.15 0.00 0.30 0.00 0.00 27.48 28.23 2da6 h GLN 18 CO -0.57 -0.14 0.08 1.96 -0.67 0.00 0.00 178.83 179.49 2da6 h GLN 19 N -0.22 0.10 -0.83 1.46 1.08 -1.42 0.51 115.11 115.79 2da6 h GLN 19 Ca 0.11 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 2da6 h GLN 19 Cb 0.51 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.86 2da6 h GLN 19 CO -0.75 0.06 0.50 0.82 -0.95 0.00 0.00 178.83 178.51 2da6 h ILE 20 N 0.10 0.99 -0.86 2.54 2.04 -0.02 -1.40 117.51 120.91 2da6 h ILE 20 Ca 0.52 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2da6 h ILE 20 Cb 1.03 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2da6 h ILE 20 CO -0.76 0.16 0.55 -0.07 0.00 0.00 0.00 178.15 178.03 2da6 h LEU 21 N 0.89 1.01 -0.17 1.44 3.38 0.64 -2.30 115.31 120.20 2da6 h LEU 21 Ca 0.37 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2da6 h LEU 21 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2da6 h LEU 21 CO -0.20 0.76 0.04 1.88 0.09 0.00 0.00 178.44 181.02 2da6 h TYR 22 N 1.18 0.28 -0.67 1.13 0.05 -0.68 0.14 116.97 118.40 2da6 h TYR 22 Ca 0.31 -0.03 0.12 0.00 0.05 0.00 0.00 58.73 59.18 2da6 h TYR 22 Cb -0.09 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 2da6 h TYR 22 CO -0.01 0.40 0.45 1.96 -1.05 0.00 0.00 178.16 179.91 2da6 h GLN 23 N 0.09 0.42 0.10 4.88 1.08 -1.02 0.29 115.11 120.94 2da6 h GLN 23 Ca 0.05 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.08 2da6 h GLN 23 Cb 0.26 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2da6 h GLN 23 CO 0.00 0.28 -0.66 0.00 -0.95 0.00 0.00 178.83 177.50 2da6 h ALA 24 N 1.67 -0.04 0.00 3.87 0.00 -1.11 -3.30 119.26 120.35 2da6 h ALA 24 Ca 0.32 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2da6 h ALA 24 Cb 0.65 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2da6 h ALA 24 CO -0.10 0.32 -0.14 -0.92 0.00 0.00 0.00 179.25 178.41 2da6 h TYR 25 N -0.55 0.00 0.00 0.00 5.03 -0.16 -1.23 116.97 120.06 2da6 h TYR 25 Ca -0.12 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.14 2da6 h TYR 25 Cb 1.48 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.75 2da6 h TYR 25 CO 0.21 0.14 -0.21 0.22 -1.32 0.00 0.00 178.16 177.20 2da6 h ASP 26 N 0.00 0.00 0.02 -2.11 3.58 -0.53 -3.19 116.42 114.19 2da6 h ASP 26 Ca -0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 2da6 h ASP 26 Cb 0.26 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 2da6 h ASP 26 CO 0.02 0.21 -1.36 0.03 -2.88 0.00 0.00 179.24 175.26 2da6 h ARG 27 N 0.00 0.05 -4.13 0.28 3.08 -1.35 -3.48 114.38 108.84 2da6 h ARG 27 Ca -0.00 -0.09 -0.37 0.00 0.07 0.00 0.00 59.98 59.59 2da6 h ARG 27 Cb 0.50 0.03 -0.32 0.00 0.08 0.00 0.00 29.97 30.26 2da6 h ARG 27 CO 0.03 1.04 -0.76 -1.14 -1.07 0.00 0.00 179.97 178.07 2da6 s GLN 28 N -2.40 0.62 0.12 0.04 2.00 -0.58 -5.03 119.66 114.43 2da6 s GLN 28 Ca -0.27 -0.12 -0.04 0.00 -2.00 0.00 0.00 55.36 52.92 2da6 s GLN 28 Cb 0.06 -0.64 -0.13 0.00 0.80 0.00 0.00 33.01 33.11 2da6 s GLN 28 CO 0.63 -0.00 1.28 0.87 -0.50 0.00 0.00 175.29 177.56 2da6 h LYS 29 N 6.71 0.38 -3.39 1.67 1.79 -1.86 -3.36 116.57 118.51 2da6 h LYS 29 Ca -0.35 -0.44 -0.67 0.00 -2.18 0.00 0.00 60.65 57.00 2da6 h LYS 29 Cb 1.16 0.13 -0.38 0.00 -1.58 0.00 0.00 32.23 31.57 2da6 h LYS 29 CO 0.49 1.12 -0.40 -0.80 -1.08 0.00 0.00 179.45 178.78 2da6 s ASN 30 N -7.09 5.11 0.11 0.86 0.02 -1.26 -4.97 114.94 107.72 2da6 s ASN 30 Ca -0.05 -3.25 -0.31 0.00 -1.02 0.00 0.00 52.86 48.23 2da6 s ASN 30 Cb 0.08 -1.78 -0.08 0.00 0.02 0.00 0.00 41.25 39.50 2da6 s ASN 30 CO 0.87 -0.25 1.36 -2.16 0.02 0.00 0.00 177.10 176.94 2da6 s PRO 31 N -0.63 4.34 0.67 -0.60 0.04 -1.26 -5.03 135.00 132.52 2da6 s PRO 31 Ca 0.21 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 2da6 s PRO 31 Cb -0.16 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.18 2da6 s PRO 31 CO -0.07 -0.41 0.95 -1.12 0.04 0.00 0.00 177.00 176.40 2da6 s SER 32 N 1.08 4.84 0.34 6.66 0.01 -1.26 -4.40 113.70 120.98 2da6 s SER 32 Ca 0.64 0.24 0.23 0.00 1.31 0.00 0.00 55.95 58.37 2da6 s SER 32 Cb -0.36 -0.91 1.19 0.00 0.21 0.00 0.00 66.02 66.15 2da6 s SER 32 CO 0.30 -1.53 1.30 1.17 0.41 0.00 0.00 173.24 174.89 2da6 n LYS 33 N -2.78 -0.04 0.11 12.44 3.00 -1.26 0.63 118.16 130.26 2da6 n LYS 33 Ca 0.09 1.08 -0.11 0.00 -0.00 0.00 0.00 58.31 59.37 2da6 n LYS 33 Cb 0.60 -2.05 -0.07 0.00 0.00 0.00 0.00 35.03 33.51 2da6 n LYS 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2da6 h GLU 34 N 0.00 -0.33 0.65 1.64 4.39 -1.98 -1.98 114.58 116.97 2da6 h GLU 34 Ca 0.72 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.41 2da6 h GLU 34 Cb 2.16 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 30.88 2da6 h GLU 34 CO -0.49 0.02 -0.41 0.93 -1.16 0.00 0.00 179.01 177.91 2da6 h GLU 35 N -0.89 -0.96 -0.68 2.33 5.08 -0.13 -1.34 114.58 118.00 2da6 h GLU 35 Ca -0.04 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 2da6 h GLU 35 Cb 0.51 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 29.86 2da6 h GLU 35 CO 0.06 -0.64 0.06 0.00 -1.00 0.00 0.00 179.01 177.49 2da6 h ARG 36 N -0.99 0.16 -0.34 2.33 3.08 -0.92 -0.65 114.38 117.04 2da6 h ARG 36 Ca -0.09 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.01 2da6 h ARG 36 Cb 0.80 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 2da6 h ARG 36 CO 0.08 0.11 -0.00 0.93 -1.07 0.00 0.00 179.97 180.02 2da6 h GLU 37 N 0.16 0.09 -0.05 0.04 4.39 -1.17 0.11 114.58 118.15 2da6 h GLU 37 Ca 0.37 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.08 2da6 h GLU 37 Cb 0.62 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2da6 h GLU 37 CO -0.54 0.06 0.36 0.00 -1.16 0.00 0.00 179.01 177.72 2da6 h ALA 38 N 1.30 1.43 0.00 3.43 0.00 0.06 0.56 119.26 126.04 2da6 h ALA 38 Ca 0.17 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2da6 h ALA 38 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2da6 h ALA 38 CO -0.28 -0.38 -1.57 1.28 0.00 0.00 0.00 179.25 178.30 2da6 n LEU 39 N -2.97 0.52 0.00 0.00 4.77 0.30 -2.76 117.00 116.85 2da6 n LEU 39 Ca -0.01 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 2da6 n LEU 39 Cb 0.42 0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2da6 n LEU 39 CO 0.15 0.04 0.30 0.58 -1.33 0.00 0.00 177.39 177.13 2da6 h VAL 40 N 0.00 1.31 0.13 4.08 2.07 0.10 -2.40 116.25 121.55 2da6 h VAL 40 Ca -0.11 -2.03 -0.30 0.00 0.82 0.00 0.00 66.70 65.07 2da6 h VAL 40 Cb 1.32 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2da6 h VAL 40 CO 0.02 0.63 -1.55 1.05 0.02 0.00 0.00 177.57 177.74 2da6 h GLU 41 N 0.45 0.28 -0.54 1.57 4.11 -1.57 -3.18 114.58 115.69 2da6 h GLU 41 Ca -0.05 -0.47 0.03 0.00 0.07 0.00 0.00 59.36 58.94 2da6 h GLU 41 Cb 1.38 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.76 2da6 h GLU 41 CO 0.15 1.23 0.32 1.49 0.07 0.00 0.00 179.01 182.26 2da6 h GLU 42 N -0.18 0.61 0.30 1.06 4.57 -1.63 -0.83 114.58 118.48 2da6 h GLU 42 Ca -0.33 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 2da6 h GLU 42 Cb 1.86 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.31 2da6 h GLU 42 CO 0.08 0.40 -0.14 0.00 -1.18 0.00 0.00 179.01 178.18 2da6 h ASN 44 N -0.46 0.28 0.63 0.00 2.35 -1.56 0.15 115.58 116.97 2da6 h ASN 44 Ca -0.04 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2da6 h ASN 44 Cb 0.31 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.75 2da6 h ASN 44 CO 0.07 -0.05 -0.30 -0.09 -1.65 0.00 0.00 177.43 175.40 2da6 h ARG 45 N 0.19 -0.82 -0.76 0.81 2.43 -1.03 -2.83 114.38 112.37 2da6 h ARG 45 Ca 0.71 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 60.03 2da6 h ARG 45 Cb 2.19 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 31.85 2da6 h ARG 45 CO -0.31 -0.54 0.40 0.00 -1.51 0.00 0.00 179.97 178.01 2da6 h ALA 46 N -1.20 1.07 -0.72 2.80 0.00 0.15 -1.50 119.26 119.86 2da6 h ALA 46 Ca -0.09 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2da6 h ALA 46 Cb 0.66 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2da6 h ALA 46 CO 0.14 0.00 0.29 0.93 0.00 0.00 0.00 179.25 180.62 2da6 h GLU 47 N 0.67 0.44 -0.59 0.00 5.08 -0.82 0.09 114.58 119.46 2da6 h GLU 47 Ca 0.37 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 2da6 h GLU 47 Cb 0.38 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2da6 h GLU 47 CO -0.26 0.29 0.07 0.00 -1.00 0.00 0.00 179.01 178.11 2da6 h LEU 49 N 0.88 -0.85 -0.65 0.00 3.38 -0.59 1.94 115.31 119.43 2da6 h LEU 49 Ca 0.17 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.21 2da6 h LEU 49 Cb 0.45 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2da6 h LEU 49 CO 0.02 -0.57 0.37 0.06 0.09 0.00 0.00 178.44 178.40 2da6 h GLN 50 N -1.05 0.67 0.00 1.13 3.07 -1.05 0.12 115.11 117.99 2da6 h GLN 50 Ca -0.10 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.60 2da6 h GLN 50 Cb 0.78 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.19 2da6 h GLN 50 CO 0.17 0.44 0.00 0.54 0.09 0.00 0.00 178.83 180.07 2da6 n ARG 51 N -4.78 0.84 0.00 0.06 1.74 -0.34 -4.84 116.66 109.34 2da6 n ARG 51 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2da6 n ARG 51 Cb 0.15 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2da6 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2da6 n GLY 52 N 0.48 2.86 3.39 -0.13 0.00 0.43 -4.99 105.19 107.22 2da6 n GLY 52 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2da6 n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2da6 s VAL 53 N -0.85 1.65 -0.06 1.61 1.01 0.64 -4.80 120.40 119.60 2da6 s VAL 53 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2da6 s VAL 53 Cb 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2da6 s VAL 53 CO 0.00 0.00 0.23 -0.55 0.00 0.00 0.00 175.10 174.78 2da6 s SER 54 N -2.75 6.49 0.00 3.32 0.15 -1.26 -3.16 113.70 116.49 2da6 s SER 54 Ca 0.69 0.58 0.15 0.00 0.70 0.00 0.00 55.95 58.06 2da6 s SER 54 Cb -0.20 -2.10 0.79 0.00 -1.71 0.00 0.00 66.02 62.79 2da6 s SER 54 CO 0.62 0.34 1.39 -0.81 1.20 0.00 0.00 173.24 175.98 2da6 n PRO 55 N 1.66 0.28 -0.00 5.44 -0.04 -1.26 -1.93 135.00 139.14 2da6 n PRO 55 Ca -0.16 0.11 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 2da6 n PRO 55 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2da6 n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2da6 n SER 56 N -1.22 0.63 -1.33 3.54 2.88 -1.26 -4.26 113.62 112.60 2da6 n SER 56 Ca 0.08 -0.60 -0.09 0.00 -1.33 0.00 0.00 58.87 56.93 2da6 n SER 56 Cb 0.10 1.31 0.16 0.00 -0.75 0.00 0.00 64.21 65.03 2da6 n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2da6 n LYS 57 N -1.79 2.15 0.23 -1.46 4.76 -0.81 -4.71 118.16 116.54 2da6 n LYS 57 Ca 0.01 -3.38 0.13 0.00 -2.87 0.00 0.00 58.31 52.20 2da6 n LYS 57 Cb 0.42 -1.90 0.74 0.00 -1.84 0.00 0.00 35.03 32.44 2da6 n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2da6 h ALA 58 N 1.26 1.92 -0.64 7.82 0.00 -1.74 -1.81 119.26 126.07 2da6 h ALA 58 Ca 0.25 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.34 2da6 h ALA 58 Cb 1.51 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2da6 h ALA 58 CO 0.49 -0.12 0.73 1.12 0.00 0.00 0.00 179.25 181.47 2da6 h HIS 59 N 0.00 0.00 -0.15 0.00 2.07 -1.93 0.53 115.15 115.68 2da6 h HIS 59 Ca 0.04 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.41 2da6 h HIS 59 Cb 0.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 2da6 h HIS 59 CO 0.00 0.00 -0.57 0.78 -3.07 0.00 0.00 177.93 175.07 2da6 h GLY 60 N 0.00 0.50 -1.59 6.13 0.00 -1.73 -3.18 103.07 103.20 2da6 h GLY 60 Ca 0.30 -0.59 0.47 0.00 0.00 0.00 0.00 47.33 47.50 2da6 h GLY 60 CO -0.00 0.53 1.14 1.04 0.00 0.00 0.00 176.54 179.25 2da6 n LEU 61 N -3.93 0.01 0.00 3.11 4.77 0.19 -4.66 117.00 116.49 2da6 n LEU 61 Ca -0.03 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 2da6 n LEU 61 Cb 0.61 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2da6 n LEU 61 CO 0.46 -0.85 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 2da6 n GLY 62 N -1.73 1.51 0.24 -0.72 0.00 -1.20 0.25 105.19 103.54 2da6 n GLY 62 Ca 0.36 0.52 0.08 0.00 0.00 0.00 0.00 46.02 46.98 2da6 n GLY 62 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2da6 h SER 63 N 0.00 0.00 -0.25 1.61 0.87 -1.94 -0.19 113.55 113.64 2da6 h SER 63 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2da6 h SER 63 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2da6 h SER 63 CO 0.00 0.11 0.00 0.59 -0.53 0.00 0.00 176.83 177.00 2da6 n ASN 64 N -4.28 1.78 -4.75 6.23 4.13 0.14 -4.76 115.26 113.76 2da6 n ASN 64 Ca -0.03 -1.84 -0.41 0.00 1.68 0.00 0.00 54.58 53.99 2da6 n ASN 64 Cb 0.19 -0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.22 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2da6 s LEU 65 N -1.32 4.55 0.13 3.41 2.96 -0.09 -4.91 118.68 123.41 2da6 s LEU 65 Ca 0.29 2.07 -0.06 0.00 -0.22 0.00 0.00 54.13 56.20 2da6 s LEU 65 Cb 0.15 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.18 2da6 s LEU 65 CO 0.22 -0.09 0.39 -0.69 -1.32 0.00 0.00 176.35 174.86 2da6 s VAL 66 N -0.67 5.14 0.07 1.68 1.01 -1.26 -4.95 120.40 121.42 2da6 s VAL 66 Ca 0.46 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 2da6 s VAL 66 Cb -0.28 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2da6 s VAL 66 CO 0.35 0.09 0.29 0.42 0.00 0.00 0.00 175.10 176.26 2da6 s THR 67 N -1.60 0.09 0.31 3.92 -4.23 -1.26 -4.93 115.64 107.94 2da6 s THR 67 Ca 0.39 -0.78 0.19 0.00 -1.18 0.00 0.00 61.69 60.31 2da6 s THR 67 Cb -0.12 -1.08 0.31 0.00 1.34 0.00 0.00 72.50 72.94 2da6 s THR 67 CO 0.23 -0.43 1.30 1.21 -0.54 0.00 0.00 174.62 176.38 2da6 n GLU 68 N 0.27 -0.05 0.27 3.99 2.13 -1.26 0.53 120.64 126.52 2da6 n GLU 68 Ca -0.17 1.12 -0.15 0.00 0.66 0.00 0.00 57.16 58.62 2da6 n GLU 68 Cb 0.61 -2.04 -0.08 0.00 0.27 0.00 0.00 31.44 30.20 2da6 n GLU 68 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2da6 h VAL 69 N 0.00 0.37 -0.95 6.31 2.07 -1.98 -1.47 116.25 120.60 2da6 h VAL 69 Ca 0.70 -0.38 0.17 0.00 0.82 0.00 0.00 66.70 68.02 2da6 h VAL 69 Cb 1.92 0.50 -0.17 0.00 -1.52 0.00 0.00 31.29 32.02 2da6 h VAL 69 CO -0.60 0.05 -0.30 0.03 0.02 0.00 0.00 177.57 176.77 2da6 h ARG 70 N -0.96 -0.01 -0.57 1.57 2.47 -0.31 0.53 114.38 117.10 2da6 h ARG 70 Ca -0.07 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 2da6 h ARG 70 Cb 0.62 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 2da6 h ARG 70 CO 0.12 -0.01 0.06 0.28 0.56 0.00 0.00 179.97 180.98 2da6 h VAL 71 N -0.01 1.26 -0.57 2.04 2.07 -1.48 -1.90 116.25 117.66 2da6 h VAL 71 Ca 0.41 -1.03 0.07 0.00 0.82 0.00 0.00 66.70 66.96 2da6 h VAL 71 Cb 0.66 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 2da6 h VAL 71 CO -0.97 0.37 0.25 0.22 0.02 0.00 0.00 177.57 177.46 2da6 h TYR 72 N 0.86 0.45 0.20 1.57 5.03 0.11 -0.61 116.97 124.58 2da6 h TYR 72 Ca 0.17 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 2da6 h TYR 72 Cb 0.46 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.63 2da6 h TYR 72 CO 0.03 0.17 -0.10 -0.91 -1.32 0.00 0.00 178.16 176.04 2da6 h ASN 73 N 0.47 -0.23 -0.56 -2.11 2.35 -0.78 -2.12 115.58 112.61 2da6 h ASN 73 Ca 0.27 -0.24 0.11 0.00 -0.55 0.00 0.00 56.30 55.89 2da6 h ASN 73 Cb 0.26 0.06 -0.11 0.00 0.05 0.00 0.00 38.32 38.58 2da6 h ASN 73 CO -0.23 0.14 -0.16 -0.25 -1.65 0.00 0.00 177.43 175.28 2da6 h TRP 74 N -0.63 -0.36 -0.66 1.19 7.01 -1.10 -0.02 115.95 121.38 2da6 h TRP 74 Ca -0.03 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2da6 h TRP 74 Cb 0.46 0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.73 2da6 h TRP 74 CO 0.03 -0.26 0.43 0.74 -2.79 0.00 0.00 178.44 176.59 2da6 h PHE 75 N -0.02 0.84 -0.30 2.65 -1.00 -1.13 -2.56 116.94 115.42 2da6 h PHE 75 Ca 0.27 0.01 0.06 0.00 2.81 0.00 0.00 57.97 61.12 2da6 h PHE 75 Cb 0.43 -0.28 -0.06 0.00 3.61 0.00 0.00 35.95 39.65 2da6 h PHE 75 CO -0.48 0.54 -0.08 0.00 -1.61 0.00 0.00 178.31 176.68 2da6 h ALA 76 N 1.23 0.19 -0.01 2.45 0.00 -0.33 -0.26 119.26 122.54 2da6 h ALA 76 Ca 0.24 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2da6 h ALA 76 Cb -0.08 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2da6 h ALA 76 CO -0.05 -0.47 0.01 -0.97 0.00 0.00 0.00 179.25 177.77 2da6 h ASN 77 N -0.00 0.01 0.45 0.00 -0.73 -1.00 -0.63 115.58 113.68 2da6 h ASN 77 Ca 0.15 -0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.22 2da6 h ASN 77 Cb 0.23 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 2da6 h ASN 77 CO -0.31 0.01 -0.45 0.03 -0.37 0.00 0.00 177.43 176.34 2da6 h ARG 78 N 0.01 0.00 0.13 6.67 2.47 -0.66 -0.95 114.38 122.04 2da6 h ARG 78 Ca 0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 2da6 h ARG 78 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2da6 h ARG 78 CO -0.00 0.45 -1.45 0.00 0.56 0.00 0.00 179.97 179.52 2da6 h ARG 79 N 0.00 0.27 -0.27 0.04 3.08 -0.57 -2.92 114.38 114.01 2da6 h ARG 79 Ca -0.00 -0.46 -0.17 0.00 0.07 0.00 0.00 59.98 59.41 2da6 h ARG 79 Cb 0.80 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 2da6 h ARG 79 CO 0.06 1.16 -0.53 0.87 -1.07 0.00 0.00 179.97 180.46 2da6 h LYS 80 N 0.07 0.78 -0.02 0.04 6.56 -1.17 -2.68 116.57 120.15 2da6 h LYS 80 Ca -0.22 -0.48 -0.01 0.00 -1.06 0.00 0.00 60.65 58.89 2da6 h LYS 80 Cb 2.01 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 33.72 2da6 h LYS 80 CO 0.18 1.11 -0.01 1.05 -2.06 0.00 0.00 179.45 179.72 2da6 h GLU 81 N 0.60 0.05 -0.69 3.15 4.11 -1.29 0.11 114.58 120.62 2da6 h GLU 81 Ca 0.02 -0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.53 2da6 h GLU 81 Cb 1.11 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 2da6 h GLU 81 CO 0.11 0.46 0.46 1.05 0.07 0.00 0.00 179.01 181.16 2da6 h GLU 82 N -0.37 0.51 0.00 1.06 4.11 -1.56 0.83 114.58 119.16 2da6 h GLU 82 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2da6 h GLU 82 Cb 0.45 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2da6 h GLU 82 CO 0.00 0.34 -0.60 0.00 0.07 0.00 0.00 179.01 178.82 2da6 h ALA 83 N 1.65 0.61 0.40 1.06 0.00 -1.38 -3.39 119.26 118.21 2da6 h ALA 83 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2da6 h ALA 83 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2da6 h ALA 83 CO -0.11 0.00 -0.27 0.35 0.00 0.00 0.00 179.25 179.23 2da6 h PHE 84 N 0.00 -0.72 -0.37 0.00 3.04 0.18 0.34 116.94 119.41 2da6 h PHE 84 Ca 0.00 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.05 2da6 h PHE 84 Cb 0.76 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 2da6 h PHE 84 CO 0.00 -0.39 0.85 0.00 -2.02 0.00 0.00 178.31 176.75 2da6 h ARG 85 N -0.63 0.00 0.11 1.11 3.08 -1.74 0.84 114.38 117.15 2da6 h ARG 85 Ca -0.05 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.63 2da6 h ARG 85 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2da6 h ARG 85 CO 0.04 0.00 -2.02 1.04 -1.07 0.00 0.00 179.97 177.96 2da6 n GLN 86 N -2.99 0.75 0.17 0.04 1.13 -0.66 -4.04 117.38 111.79 2da6 n GLN 86 Ca 0.08 0.26 -0.14 0.00 -1.94 0.00 0.00 57.00 55.25 2da6 n GLN 86 Cb 0.98 -1.70 -0.07 0.00 0.11 0.00 0.00 30.24 29.56 2da6 n GLN 86 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2da6 h LYS 87 N 0.07 -0.40 0.00 -1.09 3.64 0.47 -1.04 116.57 118.22 2da6 h LYS 87 Ca -0.43 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2da6 h LYS 87 Cb 2.03 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.94 2da6 h LYS 87 CO 0.08 -0.26 0.11 1.47 -2.27 0.00 0.00 179.45 178.58 2da6 n LEU 88 N -5.28 0.50 0.05 5.20 -0.00 -0.65 -0.94 117.00 115.87 2da6 n LEU 88 Ca -0.09 0.70 -0.22 0.00 -0.00 0.00 0.00 56.01 56.39 2da6 n LEU 88 Cb 0.20 -0.72 -0.15 0.00 -0.00 0.00 0.00 43.42 42.75 2da6 n LEU 88 CO 0.34 -0.86 -0.61 0.00 -0.00 0.00 0.00 177.39 176.25 2da6 h ALA 89 N 1.70 0.26 -0.01 1.47 0.00 -1.35 -3.37 119.26 117.95 2da6 h ALA 89 Ca 0.00 -1.22 -0.23 0.00 0.00 0.00 0.00 54.91 53.46 2da6 h ALA 89 Cb 0.23 0.52 0.02 0.00 0.00 0.00 0.00 17.79 18.56 2da6 h ALA 89 CO 0.00 1.13 -0.89 0.52 0.00 0.00 0.00 179.25 180.01 2da6 h MET 90 N 0.09 0.63 -7.25 0.00 2.86 -0.35 -3.46 114.93 107.45 2da6 h MET 90 Ca -0.36 -0.66 -0.49 0.00 -2.06 0.00 0.00 59.70 56.13 2da6 h MET 90 Cb 2.08 0.18 0.18 0.00 0.06 0.00 0.00 31.60 34.10 2da6 h MET 90 CO 0.15 1.26 0.18 0.34 1.06 0.00 0.00 176.91 179.89 2da6 s ASP 91 N -7.12 2.63 0.53 1.22 2.15 -0.14 -5.05 116.67 110.89 2da6 s ASP 91 Ca -0.11 1.80 0.07 0.00 0.43 0.00 0.00 52.55 54.75 2da6 s ASP 91 Cb 0.06 -2.40 0.06 0.00 -0.30 0.00 0.00 42.92 40.34 2da6 s ASP 91 CO 0.89 -3.22 0.72 0.00 -0.17 0.00 0.00 175.17 173.39 2da6 s ALA 92 N -2.69 4.49 0.38 3.66 0.00 -1.26 -4.94 121.76 121.41 2da6 s ALA 92 Ca 0.66 -1.86 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2da6 s ALA 92 Cb -0.22 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.32 2da6 s ALA 92 CO 0.59 -0.68 0.28 0.66 0.00 0.00 0.00 175.76 176.62 2da6 n TYR 93 N -2.15 -0.84 -1.67 0.00 4.01 -1.26 -5.02 117.16 110.24 2da6 n TYR 93 Ca 0.12 -1.63 -0.47 0.00 -0.16 0.00 0.00 57.90 55.76 2da6 n TYR 93 Cb 0.60 -0.31 -0.04 0.00 -0.31 0.00 0.00 39.34 39.28 2da6 n TYR 93 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2da6 n SER 94 N -1.88 3.13 -4.14 7.72 7.64 -1.26 -2.05 113.62 122.79 2da6 n SER 94 Ca -0.02 1.06 -0.33 0.00 1.01 0.00 0.00 58.87 60.60 2da6 n SER 94 Cb 0.44 -1.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.18 2da6 n SER 94 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2da6 n SER 95 N 4.18 -0.66 0.07 6.43 7.64 -1.26 -4.86 113.62 125.16 2da6 n SER 95 Ca 0.18 -1.20 -0.13 0.00 1.01 0.00 0.00 58.87 58.74 2da6 n SER 95 Cb 0.29 -2.09 -0.09 0.00 -1.01 0.00 0.00 64.21 61.32 2da6 n SER 95 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2da6 h ASN 96 N -1.97 -0.16 -5.45 6.43 -1.07 -1.81 -3.47 115.58 108.08 2da6 h ASN 96 Ca -0.66 -0.26 -0.18 0.00 0.07 0.00 0.00 56.30 55.27 2da6 h ASN 96 Cb 1.39 0.04 -0.12 0.00 -2.07 0.00 0.00 38.32 37.57 2da6 h ASN 96 CO 0.64 0.18 -0.37 -0.94 0.07 0.00 0.00 177.43 177.02 2da6 s SER 97 N -5.32 0.19 0.17 6.14 1.04 -1.26 -5.03 113.70 109.63 2da6 s SER 97 Ca -0.15 -1.23 0.10 0.00 0.48 0.00 0.00 55.95 55.16 2da6 s SER 97 Cb 0.03 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2da6 s SER 97 CO 0.62 -1.02 -0.23 -0.83 0.98 0.00 0.00 173.24 172.76 2da6 s GLY 98 N -3.12 1.59 -1.04 7.32 0.00 -1.26 -5.06 107.32 105.75 2da6 s GLY 98 Ca 0.31 -1.56 -0.24 0.00 0.00 0.00 0.00 44.72 43.24 2da6 s GLY 98 CO 0.12 -1.58 1.94 2.56 0.00 0.00 0.00 173.10 176.14 2da6 s PRO 99 N -2.56 2.52 -0.94 2.90 0.04 -1.26 -4.89 135.00 130.81 2da6 s PRO 99 Ca 0.18 -0.73 -0.24 0.00 0.04 0.00 0.00 61.00 60.25 2da6 s PRO 99 Cb -0.08 -5.15 -0.07 0.00 0.04 0.00 0.00 34.50 29.24 2da6 s PRO 99 CO 0.08 -3.68 1.99 0.45 0.04 0.00 0.00 177.00 175.88 2da6 s SER 100 N 7.27 4.96 0.45 6.66 0.15 -1.26 -4.90 113.70 127.03 2da6 s SER 100 Ca 0.69 -0.77 0.04 0.00 0.70 0.00 0.00 55.95 56.61 2da6 s SER 100 Cb -0.04 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 2da6 s SER 100 CO 0.06 -2.96 0.02 -0.94 1.20 0.00 0.00 173.24 170.62 2da6 s SER 101 N 8.07 3.83 0.00 5.45 1.04 -1.26 -5.35 113.70 125.48 2da6 s SER 101 Ca 0.72 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2da6 s SER 101 Cb -0.06 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2da6 s SER 101 CO 0.03 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.19