#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da6 s SER 2 N 0.00 0.22 -0.10 1.61 1.04 -1.26 -5.16 113.70 110.05 2da6 s SER 2 Ca 0.00 -0.35 -0.28 0.00 0.48 0.00 0.00 55.95 55.81 2da6 s SER 2 Cb 0.00 0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.25 2da6 s SER 2 CO 0.00 -0.20 0.65 -0.94 0.98 0.00 0.00 173.24 173.73 2da6 s SER 3 N -1.01 -0.63 0.09 7.02 1.04 -1.26 -5.09 113.70 113.86 2da6 s SER 3 Ca -0.11 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2da6 s SER 3 Cb -0.07 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2da6 s SER 3 CO -0.01 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2da6 n GLY 4 N 1.41 -0.06 3.62 7.32 0.00 -1.26 -5.11 105.19 111.11 2da6 n GLY 4 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 2da6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2da6 s SER 5 N -5.52 -0.61 0.21 1.61 0.15 -1.26 -5.18 113.70 103.09 2da6 s SER 5 Ca 0.00 0.96 -0.01 0.00 0.70 0.00 0.00 55.95 57.60 2da6 s SER 5 Cb 0.00 1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 65.61 2da6 s SER 5 CO 0.00 -0.15 0.15 -0.94 1.20 0.00 0.00 173.24 173.51 2da6 s SER 6 N 1.58 0.21 0.00 5.45 1.04 -1.26 -5.12 113.70 115.60 2da6 s SER 6 Ca -0.08 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2da6 s SER 6 Cb -0.04 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2da6 s SER 6 CO -0.16 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2da6 n GLY 7 N -0.29 -0.76 3.67 7.32 0.00 -1.26 -5.15 105.19 108.72 2da6 n GLY 7 Ca 0.02 0.54 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 2da6 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2da6 s ARG 8 N 0.55 2.65 -0.12 1.61 1.04 -1.26 -5.12 118.95 118.30 2da6 s ARG 8 Ca 0.00 -0.73 0.01 0.00 -1.04 0.00 0.00 55.73 53.97 2da6 s ARG 8 Cb 0.00 -2.59 0.02 0.00 -2.04 0.00 0.00 34.95 30.34 2da6 s ARG 8 CO 0.00 0.58 -0.13 -0.80 -0.04 0.00 0.00 175.30 174.91 2da6 s ASN 9 N -1.89 2.42 -0.80 -2.89 -0.87 -1.26 -5.08 114.94 104.57 2da6 s ASN 9 Ca 0.22 -0.42 -0.16 0.00 -1.57 0.00 0.00 52.86 50.93 2da6 s ASN 9 Cb -0.12 -1.06 0.17 0.00 -0.02 0.00 0.00 41.25 40.23 2da6 s ASN 9 CO 0.14 -0.03 0.84 -0.60 -2.57 0.00 0.00 177.10 174.88 2da6 s ARG 10 N 1.23 3.48 -0.29 -0.60 3.00 -1.26 -4.96 118.95 119.56 2da6 s ARG 10 Ca -0.02 -2.07 -0.16 0.00 -1.00 0.00 0.00 55.73 52.48 2da6 s ARG 10 Cb -0.14 -4.53 0.14 0.00 0.00 0.00 0.00 34.95 30.43 2da6 s ARG 10 CO -0.05 -1.46 0.96 0.12 0.00 0.00 0.00 175.30 174.88 2da6 s PHE 11 N 1.28 -0.60 -0.13 5.12 5.36 -1.26 -4.95 117.98 122.80 2da6 s PHE 11 Ca 0.20 1.20 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 2da6 s PHE 11 Cb -0.12 0.36 -0.00 0.00 -0.34 0.00 0.00 43.02 42.92 2da6 s PHE 11 CO -0.06 -0.30 -0.19 0.21 -1.46 0.00 0.00 175.22 173.42 2da6 s LYS 12 N 1.44 3.17 0.66 10.12 2.47 -1.26 -5.12 119.74 131.22 2da6 s LYS 12 Ca -0.09 -0.80 -0.15 0.00 -1.56 0.00 0.00 55.97 53.37 2da6 s LYS 12 Cb -0.04 -2.48 -0.00 0.00 -1.46 0.00 0.00 37.83 33.85 2da6 s LYS 12 CO -0.15 0.13 1.12 -1.58 0.16 0.00 0.00 175.35 175.03 2da6 s TRP 13 N 0.51 2.55 0.16 4.03 0.52 -1.26 -5.04 118.94 120.41 2da6 s TRP 13 Ca -0.12 1.56 0.01 0.00 0.02 0.00 0.00 56.10 57.57 2da6 s TRP 13 Cb -0.17 -3.22 0.03 0.00 -1.15 0.00 0.00 33.47 28.97 2da6 s TRP 13 CO 0.05 -1.80 0.22 0.41 0.02 0.00 0.00 176.95 175.85 2da6 n GLY 14 N -0.34 1.33 0.26 0.98 0.00 -1.26 -4.89 105.19 101.26 2da6 n GLY 14 Ca 0.11 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 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 0.89 0.00 1.61 0.13 -2.00 -2.91 132.00 129.72 2da6 h PRO 15 Ca -0.07 -0.47 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 2da6 h PRO 15 Cb 0.31 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2da6 h PRO 15 CO 0.09 1.11 -0.10 0.00 -0.23 0.00 0.00 178.00 178.88 2da6 h ALA 16 N 0.76 0.01 -0.40 -0.56 0.00 -1.95 -3.29 119.26 113.84 2da6 h ALA 16 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2da6 h ALA 16 Cb 0.94 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2da6 h ALA 16 CO 0.09 0.07 -0.38 0.77 0.00 0.00 0.00 179.25 179.80 2da6 h SER 17 N -1.00 -1.31 -0.71 0.00 0.02 -1.86 -1.44 113.55 107.26 2da6 h SER 17 Ca -0.02 0.18 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 2da6 h SER 17 Cb 0.51 0.55 -0.10 0.00 0.14 0.00 0.00 62.40 63.51 2da6 h SER 17 CO -0.01 -0.23 -0.52 1.56 -1.14 0.00 0.00 176.83 176.49 2da6 h GLN 18 N -0.18 -0.13 -0.87 3.45 4.20 -1.70 0.24 115.11 120.12 2da6 h GLN 18 Ca 0.07 0.01 0.23 0.00 0.06 0.00 0.00 58.65 59.01 2da6 h GLN 18 Cb 0.36 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 28.02 2da6 h GLN 18 CO -0.47 -0.08 0.10 1.96 -0.67 0.00 0.00 178.83 179.67 2da6 h GLN 19 N -0.13 0.11 -0.84 1.46 1.08 -1.43 0.48 115.11 115.84 2da6 h GLN 19 Ca 0.12 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 2da6 h GLN 19 Cb 0.43 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 2da6 h GLN 19 CO -0.73 0.07 0.53 0.82 -0.95 0.00 0.00 178.83 178.57 2da6 h ILE 20 N 0.12 1.09 -0.99 2.54 2.04 0.46 -1.80 117.51 120.96 2da6 h ILE 20 Ca 0.52 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 66.05 2da6 h ILE 20 Cb 1.02 -0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2da6 h ILE 20 CO -0.73 0.18 0.66 -0.07 0.00 0.00 0.00 178.15 178.19 2da6 h LEU 21 N 1.00 1.14 -0.25 1.44 3.38 0.90 -2.17 115.31 120.76 2da6 h LEU 21 Ca 0.35 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 2da6 h LEU 21 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2da6 h LEU 21 CO -0.14 0.82 0.05 1.88 0.09 0.00 0.00 178.44 181.14 2da6 h TYR 22 N 1.34 0.42 -0.44 1.13 0.05 -0.68 0.13 116.97 118.93 2da6 h TYR 22 Ca 0.37 -0.05 0.06 0.00 0.05 0.00 0.00 58.73 59.15 2da6 h TYR 22 Cb -0.15 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.45 2da6 h TYR 22 CO -0.00 0.51 0.30 1.96 -1.05 0.00 0.00 178.16 179.87 2da6 h GLN 23 N 0.22 0.32 0.15 4.88 1.08 -1.02 0.32 115.11 121.07 2da6 h GLN 23 Ca 0.08 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 57.04 2da6 h GLN 23 Cb 0.30 -0.07 0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2da6 h GLN 23 CO 0.00 0.21 -1.00 0.00 -0.95 0.00 0.00 178.83 177.10 2da6 h ALA 24 N 1.77 -0.05 -0.25 3.87 0.00 -1.09 -3.29 119.26 120.23 2da6 h ALA 24 Ca 0.19 -0.79 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 2da6 h ALA 24 Cb 0.34 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2da6 h ALA 24 CO -0.04 0.49 -0.15 -0.92 0.00 0.00 0.00 179.25 178.63 2da6 h TYR 25 N -0.31 0.45 -0.79 0.00 5.03 -0.26 -1.78 116.97 119.32 2da6 h TYR 25 Ca -0.19 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.07 2da6 h TYR 25 Cb 1.72 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 39.83 2da6 h TYR 25 CO 0.18 0.56 0.52 0.22 -1.32 0.00 0.00 178.16 178.32 2da6 h ASP 26 N 0.39 0.89 0.02 -2.11 1.82 -0.48 -2.99 116.42 113.97 2da6 h ASP 26 Ca 0.07 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.64 2da6 h ASP 26 Cb 0.50 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 40.29 2da6 h ASP 26 CO 0.03 0.64 -0.22 0.03 -1.61 0.00 0.00 179.24 178.12 2da6 h ARG 27 N 1.05 0.10 -4.28 0.28 3.08 -1.54 -3.46 114.38 109.61 2da6 h ARG 27 Ca 0.29 -0.14 -0.36 0.00 0.07 0.00 0.00 59.98 59.84 2da6 h ARG 27 Cb -0.10 0.05 -0.30 0.00 0.08 0.00 0.00 29.97 29.69 2da6 h ARG 27 CO -0.07 0.99 -0.76 -1.14 -1.07 0.00 0.00 179.97 177.92 2da6 s GLN 28 N -2.65 0.56 0.07 0.04 2.00 -0.70 -5.04 119.66 113.93 2da6 s GLN 28 Ca -0.17 -0.18 -0.04 0.00 -2.00 0.00 0.00 55.36 52.98 2da6 s GLN 28 Cb -0.01 -0.56 -0.28 0.00 0.80 0.00 0.00 33.01 32.96 2da6 s GLN 28 CO 0.73 0.07 1.11 0.87 -0.50 0.00 0.00 175.29 177.57 2da6 h LYS 29 N 6.33 0.26 -3.43 1.67 1.79 -1.85 -3.34 116.57 118.01 2da6 h LYS 29 Ca -0.32 -0.45 -0.68 0.00 -2.18 0.00 0.00 60.65 57.03 2da6 h LYS 29 Cb 1.18 0.17 -0.37 0.00 -1.58 0.00 0.00 32.23 31.62 2da6 h LYS 29 CO 0.49 1.20 -0.38 -0.80 -1.08 0.00 0.00 179.45 178.88 2da6 s ASN 30 N -7.11 5.16 0.17 0.86 0.01 -1.26 -4.99 114.94 107.77 2da6 s ASN 30 Ca -0.04 -3.17 -0.30 0.00 -0.71 0.00 0.00 52.86 48.63 2da6 s ASN 30 Cb 0.07 -1.80 -0.08 0.00 0.41 0.00 0.00 41.25 39.85 2da6 s ASN 30 CO 0.88 -0.27 1.32 -2.16 -1.51 0.00 0.00 177.10 175.36 2da6 s PRO 31 N -0.53 4.37 0.58 -0.60 0.04 -1.26 -5.04 135.00 132.57 2da6 s PRO 31 Ca 0.20 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.29 2da6 s PRO 31 Cb -0.17 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.20 2da6 s PRO 31 CO -0.06 -0.30 0.81 -1.12 0.04 0.00 0.00 177.00 176.37 2da6 s SER 32 N 0.59 5.12 0.26 6.66 0.01 -1.26 -4.48 113.70 120.60 2da6 s SER 32 Ca 0.59 -0.07 0.13 0.00 1.31 0.00 0.00 55.95 57.91 2da6 s SER 32 Cb -0.36 -0.72 0.92 0.00 0.21 0.00 0.00 66.02 66.06 2da6 s SER 32 CO 0.35 -1.27 1.16 1.17 0.41 0.00 0.00 173.24 175.07 2da6 n LYS 33 N -2.43 -0.05 0.28 12.44 3.00 -1.26 0.20 118.16 130.34 2da6 n LYS 33 Ca 0.09 1.03 -0.12 0.00 -0.00 0.00 0.00 58.31 59.32 2da6 n LYS 33 Cb 0.60 -1.82 -0.06 0.00 0.00 0.00 0.00 35.03 33.76 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 -0.73 0.22 1.64 5.08 -1.98 -1.63 114.58 117.18 2da6 h GLU 34 Ca 0.59 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 59.00 2da6 h GLU 34 Cb 1.52 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 2da6 h GLU 34 CO -0.59 -0.49 -0.37 0.93 -1.00 0.00 0.00 179.01 177.50 2da6 h GLU 35 N -1.18 -0.60 -0.57 2.33 5.08 -0.58 -1.06 114.58 118.01 2da6 h GLU 35 Ca -0.08 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2da6 h GLU 35 Cb 0.58 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.86 2da6 h GLU 35 CO 0.13 -0.40 -0.20 0.00 -1.00 0.00 0.00 179.01 177.54 2da6 h ARG 36 N -0.62 -0.06 -0.69 2.33 3.08 -0.87 0.16 114.38 117.71 2da6 h ARG 36 Ca -0.03 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.16 2da6 h ARG 36 Cb 0.58 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 2da6 h ARG 36 CO -0.12 -0.04 0.19 0.93 -1.07 0.00 0.00 179.97 179.86 2da6 h GLU 37 N -0.06 0.30 0.00 0.04 4.39 -0.97 0.50 114.58 118.78 2da6 h GLU 37 Ca 0.26 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2da6 h GLU 37 Cb 0.47 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2da6 h GLU 37 CO -0.61 0.20 0.18 0.00 -1.16 0.00 0.00 179.01 177.62 2da6 h ALA 38 N 1.54 1.18 0.00 3.43 0.00 0.37 0.21 119.26 125.99 2da6 h ALA 38 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 2da6 h ALA 38 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2da6 h ALA 38 CO -0.44 -0.18 -1.66 1.28 0.00 0.00 0.00 179.25 178.25 2da6 n LEU 39 N -2.92 0.48 -0.04 0.00 4.77 0.17 -2.81 117.00 116.65 2da6 n LEU 39 Ca -0.02 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.00 2da6 n LEU 39 Cb 0.24 0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2da6 n LEU 39 CO 0.16 0.11 0.34 0.58 -1.33 0.00 0.00 177.39 177.24 2da6 h VAL 40 N 0.00 1.28 0.10 4.08 2.07 0.31 -2.35 116.25 121.74 2da6 h VAL 40 Ca -0.16 -1.88 -0.24 0.00 0.82 0.00 0.00 66.70 65.24 2da6 h VAL 40 Cb 1.44 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2da6 h VAL 40 CO 0.02 0.60 -1.22 1.05 0.02 0.00 0.00 177.57 178.05 2da6 h GLU 41 N 0.57 0.22 -0.39 1.57 4.11 -1.59 -3.14 114.58 115.93 2da6 h GLU 41 Ca -0.02 -0.37 0.05 0.00 0.07 0.00 0.00 59.36 59.08 2da6 h GLU 41 Cb 1.30 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 2da6 h GLU 41 CO 0.14 1.18 0.13 1.49 0.07 0.00 0.00 179.01 182.02 2da6 h GLU 42 N -0.41 0.27 0.34 1.06 4.57 -1.63 -0.26 114.58 118.51 2da6 h GLU 42 Ca -0.26 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 2da6 h GLU 42 Cb 1.66 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 2da6 h GLU 42 CO 0.05 0.18 -0.16 0.00 -1.18 0.00 0.00 179.01 177.90 2da6 h ASN 44 N -0.50 0.14 0.41 0.00 2.35 -1.53 0.18 115.58 116.63 2da6 h ASN 44 Ca -0.05 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2da6 h ASN 44 Cb 0.35 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2da6 h ASN 44 CO 0.08 -0.02 -0.20 -0.09 -1.65 0.00 0.00 177.43 175.55 2da6 h ARG 45 N 0.10 -0.53 -0.93 0.81 2.43 -0.83 -2.98 114.38 112.45 2da6 h ARG 45 Ca 0.69 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 60.00 2da6 h ARG 45 Cb 2.45 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 32.05 2da6 h ARG 45 CO -0.15 -0.29 0.57 0.00 -1.51 0.00 0.00 179.97 178.59 2da6 h ALA 46 N -1.00 1.35 -0.67 2.80 0.00 0.55 -1.59 119.26 120.70 2da6 h ALA 46 Ca -0.06 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2da6 h ALA 46 Cb 0.47 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2da6 h ALA 46 CO 0.09 0.22 0.31 0.93 0.00 0.00 0.00 179.25 180.80 2da6 h GLU 47 N 0.95 0.52 -0.59 0.00 5.08 -0.79 -0.62 114.58 119.13 2da6 h GLU 47 Ca 0.44 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 2da6 h GLU 47 Cb 0.37 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2da6 h GLU 47 CO -0.24 0.34 0.15 0.00 -1.00 0.00 0.00 179.01 178.26 2da6 h LEU 49 N 0.85 -1.15 -0.74 0.00 3.38 -0.79 1.92 115.31 118.78 2da6 h LEU 49 Ca 0.18 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2da6 h LEU 49 Cb 0.34 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2da6 h LEU 49 CO 0.00 -0.82 0.42 0.06 0.09 0.00 0.00 178.44 178.20 2da6 h GLN 50 N -1.36 0.75 0.00 1.13 3.07 -1.17 0.18 115.11 117.70 2da6 h GLN 50 Ca -0.14 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.56 2da6 h GLN 50 Cb 1.04 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.43 2da6 h GLN 50 CO 0.23 0.49 0.00 0.54 0.09 0.00 0.00 178.83 180.18 2da6 n ARG 51 N -4.74 0.81 0.00 0.06 1.74 -0.17 -4.84 116.66 109.53 2da6 n ARG 51 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2da6 n ARG 51 Cb 0.19 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 0.45 2.85 3.40 -0.13 0.00 0.62 -4.99 105.19 107.39 2da6 n GLY 52 Ca 0.09 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 -0.82 1.60 -0.07 1.61 1.01 0.64 -4.80 120.40 119.57 2da6 s VAL 53 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2da6 s VAL 53 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2da6 s VAL 53 CO 0.00 0.00 0.20 -0.55 0.00 0.00 0.00 175.10 174.75 2da6 s SER 54 N -2.87 6.45 0.00 3.32 0.15 -1.26 -3.14 113.70 116.35 2da6 s SER 54 Ca 0.69 0.53 0.15 0.00 0.70 0.00 0.00 55.95 58.01 2da6 s SER 54 Cb -0.19 -2.09 0.82 0.00 -1.71 0.00 0.00 66.02 62.85 2da6 s SER 54 CO 0.61 0.35 1.38 -0.81 1.20 0.00 0.00 173.24 175.98 2da6 n PRO 55 N 1.67 0.32 -0.00 5.44 -0.04 -1.26 -1.93 135.00 139.19 2da6 n PRO 55 Ca -0.17 0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.49 2da6 n PRO 55 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 2da6 n PRO 55 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2da6 n SER 56 N -1.17 0.58 -1.45 3.54 7.64 -1.26 -4.29 113.62 117.19 2da6 n SER 56 Ca 0.09 -0.55 -0.11 0.00 1.01 0.00 0.00 58.87 59.30 2da6 n SER 56 Cb 0.09 1.44 0.15 0.00 -1.01 0.00 0.00 64.21 64.88 2da6 n SER 56 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2da6 n LYS 57 N -1.83 2.27 0.26 1.43 4.76 -0.81 -4.70 118.16 119.54 2da6 n LYS 57 Ca 0.00 -3.41 0.16 0.00 -2.87 0.00 0.00 58.31 52.20 2da6 n LYS 57 Cb 0.43 -1.96 0.89 0.00 -1.84 0.00 0.00 35.03 32.56 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 1.34 1.61 -0.45 7.82 0.00 -1.74 -1.46 119.26 126.38 2da6 h ALA 58 Ca 0.29 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.33 2da6 h ALA 58 Cb 1.53 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2da6 h ALA 58 CO 0.58 -0.12 0.46 1.12 0.00 0.00 0.00 179.25 181.29 2da6 h HIS 59 N 0.00 0.00 -0.17 0.00 2.07 -1.93 0.12 115.15 115.24 2da6 h HIS 59 Ca 0.03 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.40 2da6 h HIS 59 Cb 0.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.18 2da6 h HIS 59 CO 0.00 0.00 -0.55 0.78 -3.07 0.00 0.00 177.93 175.09 2da6 h GLY 60 N 0.00 0.56 -1.22 6.13 0.00 -1.66 -3.20 103.07 103.68 2da6 h GLY 60 Ca 0.21 -0.65 0.38 0.00 0.00 0.00 0.00 47.33 47.28 2da6 h GLY 60 CO -0.00 0.58 0.84 1.04 0.00 0.00 0.00 176.54 179.00 2da6 n LEU 61 N -3.95 0.08 0.00 3.11 4.77 0.41 -4.66 117.00 116.76 2da6 n LEU 61 Ca -0.03 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 2da6 n LEU 61 Cb 0.60 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2da6 n LEU 61 CO 0.47 -0.92 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 2da6 n GLY 62 N -1.52 1.61 0.28 -0.72 0.00 -1.21 -0.05 105.19 103.58 2da6 n GLY 62 Ca 0.31 0.47 0.15 0.00 0.00 0.00 0.00 46.02 46.94 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 -0.49 1.61 0.87 -1.95 -0.31 113.55 113.28 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 0.05 0.00 0.59 -0.53 0.00 0.00 176.83 176.94 2da6 n ASN 64 N -3.68 4.43 -4.75 6.23 3.02 0.92 -4.79 115.26 116.64 2da6 n ASN 64 Ca -0.02 -2.58 -0.39 0.00 -0.03 0.00 0.00 54.58 51.56 2da6 n ASN 64 Cb 0.15 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.68 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2da6 s LEU 65 N -1.93 4.41 0.17 3.41 2.96 -0.13 -4.87 118.68 122.70 2da6 s LEU 65 Ca 0.43 1.21 -0.13 0.00 -0.22 0.00 0.00 54.13 55.42 2da6 s LEU 65 Cb 0.30 -2.99 -0.07 0.00 0.50 0.00 0.00 46.19 43.93 2da6 s LEU 65 CO 0.16 0.06 0.55 -0.69 -1.32 0.00 0.00 176.35 175.11 2da6 s VAL 66 N -0.05 4.88 0.06 1.68 1.01 -1.26 -4.97 120.40 121.76 2da6 s VAL 66 Ca 0.33 0.71 -0.09 0.00 0.00 0.00 0.00 61.98 62.93 2da6 s VAL 66 Cb -0.18 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2da6 s VAL 66 CO 0.18 0.14 0.20 0.42 0.00 0.00 0.00 175.10 176.03 2da6 s THR 67 N -1.58 0.12 0.24 3.92 -4.23 -1.26 -4.94 115.64 107.91 2da6 s THR 67 Ca 0.41 -1.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 2da6 s THR 67 Cb -0.14 -1.08 0.28 0.00 1.34 0.00 0.00 72.50 72.90 2da6 s THR 67 CO 0.20 -0.55 1.12 1.21 -0.54 0.00 0.00 174.62 176.06 2da6 n GLU 68 N 0.38 -0.05 0.38 3.99 2.13 -1.26 0.71 120.64 126.92 2da6 n GLU 68 Ca -0.17 1.03 -0.18 0.00 0.66 0.00 0.00 57.16 58.50 2da6 n GLU 68 Cb 0.60 -1.73 -0.09 0.00 0.27 0.00 0.00 31.44 30.49 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 0.26 -0.98 6.31 2.07 -1.98 -1.32 116.25 120.61 2da6 h VAL 69 Ca 0.51 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 68.13 2da6 h VAL 69 Cb 1.21 0.29 -0.19 0.00 -1.52 0.00 0.00 31.29 31.08 2da6 h VAL 69 CO -0.62 0.01 -0.23 0.03 0.02 0.00 0.00 177.57 176.78 2da6 h ARG 70 N -1.03 0.00 -0.24 1.57 2.47 -0.11 1.16 114.38 118.20 2da6 h ARG 70 Ca -0.10 -0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 2da6 h ARG 70 Cb 0.75 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 2da6 h ARG 70 CO 0.16 0.00 -0.27 0.28 0.56 0.00 0.00 179.97 180.70 2da6 h VAL 71 N 0.00 1.27 -0.50 2.04 2.07 -1.36 -2.22 116.25 117.54 2da6 h VAL 71 Ca 0.47 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 2da6 h VAL 71 Cb 0.74 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2da6 h VAL 71 CO -1.00 0.41 -0.01 0.22 0.02 0.00 0.00 177.57 177.21 2da6 h TYR 72 N 0.40 0.90 -0.22 1.57 5.03 0.24 -1.63 116.97 123.27 2da6 h TYR 72 Ca 0.06 -0.13 -0.16 0.00 2.58 0.00 0.00 58.73 61.07 2da6 h TYR 72 Cb 0.68 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.72 2da6 h TYR 72 CO 0.02 0.83 -0.50 -0.91 -1.32 0.00 0.00 178.16 176.28 2da6 h ASN 73 N 0.78 0.81 -0.40 -2.11 2.35 -0.51 -1.79 115.58 114.71 2da6 h ASN 73 Ca 0.15 -0.56 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 2da6 h ASN 73 Cb 0.48 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2da6 h ASN 73 CO 0.02 1.23 0.21 -0.25 -1.65 0.00 0.00 177.43 176.99 2da6 h TRP 74 N 0.44 0.57 -0.11 1.19 7.01 -1.26 -2.06 115.95 121.72 2da6 h TRP 74 Ca -0.00 -0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.88 2da6 h TRP 74 Cb 1.11 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.98 2da6 h TRP 74 CO 0.09 0.45 -0.37 0.74 -2.79 0.00 0.00 178.44 176.56 2da6 h PHE 75 N 0.52 0.27 -0.71 2.65 -1.00 -1.33 -2.45 116.94 114.89 2da6 h PHE 75 Ca 0.14 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 2da6 h PHE 75 Cb 0.09 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.55 2da6 h PHE 75 CO -0.02 0.58 0.18 0.00 -1.61 0.00 0.00 178.31 177.44 2da6 h ALA 76 N 1.41 0.98 -0.27 2.45 0.00 -0.92 -2.50 119.26 120.41 2da6 h ALA 76 Ca 0.02 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 2da6 h ALA 76 Cb 0.76 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2da6 h ALA 76 CO 0.06 0.66 -0.56 -0.97 0.00 0.00 0.00 179.25 178.44 2da6 h ASN 77 N 1.07 0.93 0.11 0.00 -0.73 -1.21 -0.79 115.58 114.97 2da6 h ASN 77 Ca 0.22 -0.51 -0.01 0.00 1.87 0.00 0.00 56.30 57.87 2da6 h ASN 77 Cb 0.36 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.68 2da6 h ASN 77 CO 0.00 1.30 -0.06 0.03 -0.37 0.00 0.00 177.43 178.33 2da6 h ARG 78 N 0.64 0.00 0.00 6.67 2.47 -1.26 0.19 114.38 123.08 2da6 h ARG 78 Ca 0.01 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.46 2da6 h ARG 78 Cb 1.16 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.44 2da6 h ARG 78 CO 0.12 0.06 -1.76 0.54 0.56 0.00 0.00 179.97 179.49 2da6 n ARG 79 N -4.02 0.64 0.14 0.04 1.74 -0.96 -3.29 116.66 110.95 2da6 n ARG 79 Ca -0.03 0.23 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 2da6 n ARG 79 Cb 0.15 -1.75 0.06 0.00 -1.02 0.00 0.00 32.46 29.90 2da6 n ARG 79 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2da6 h LYS 80 N 0.00 0.00 0.10 5.56 1.57 -0.46 -2.96 116.57 120.39 2da6 h LYS 80 Ca -0.30 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.32 2da6 h LYS 80 Cb 1.94 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.26 2da6 h LYS 80 CO 0.06 0.51 -0.73 1.05 -0.57 0.00 0.00 179.45 179.77 2da6 h GLU 81 N 0.00 0.22 -0.94 3.15 4.11 -0.79 -2.44 114.58 117.89 2da6 h GLU 81 Ca -0.01 -0.37 -0.00 0.00 0.07 0.00 0.00 59.36 59.05 2da6 h GLU 81 Cb 1.34 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.69 2da6 h GLU 81 CO 0.07 1.18 0.57 1.05 0.07 0.00 0.00 179.01 181.95 2da6 h GLU 82 N -0.52 1.27 0.00 1.06 4.11 -1.65 -1.50 114.58 117.35 2da6 h GLU 82 Ca -0.14 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2da6 h GLU 82 Cb 1.51 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2da6 h GLU 82 CO 0.10 0.88 -0.04 0.00 0.07 0.00 0.00 179.01 180.01 2da6 n ALA 83 N -2.39 2.33 0.23 1.06 0.00 -1.12 -4.06 120.51 116.57 2da6 n ALA 83 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 2da6 n ALA 83 Cb 0.05 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 2da6 n ALA 83 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2da6 h PHE 84 N 0.00 -0.74 -0.35 0.00 3.04 -0.75 0.49 116.94 118.62 2da6 h PHE 84 Ca 0.00 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 2da6 h PHE 84 Cb 0.73 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 2da6 h PHE 84 CO 0.00 -0.40 0.86 0.00 -2.02 0.00 0.00 178.31 176.75 2da6 h ARG 85 N -0.65 0.00 0.07 1.11 3.08 -1.70 0.90 114.38 117.20 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 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2da6 h ARG 85 CO 0.04 0.00 -2.11 1.04 -1.07 0.00 0.00 179.97 177.87 2da6 n GLN 86 N -2.95 0.72 -0.26 0.04 6.02 -0.65 -4.11 117.38 116.19 2da6 n GLN 86 Ca 0.07 0.22 -0.06 0.00 -0.01 0.00 0.00 57.00 57.23 2da6 n GLN 86 Cb 0.98 -1.66 0.07 0.00 1.02 0.00 0.00 30.24 30.65 2da6 n GLN 86 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2da6 h LYS 87 N 0.04 1.13 0.00 -1.09 3.11 0.57 -1.36 116.57 118.97 2da6 h LYS 87 Ca -0.45 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.15 2da6 h LYS 87 Cb 2.01 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 33.08 2da6 h LYS 87 CO 0.04 0.96 0.00 1.47 -2.81 0.00 0.00 179.45 179.11 2da6 n LEU 88 N -4.25 0.00 -0.09 5.20 -0.00 -0.12 -2.39 117.00 115.34 2da6 n LEU 88 Ca 0.06 0.10 -0.10 0.00 -0.00 0.00 0.00 56.01 56.08 2da6 n LEU 88 Cb 0.23 -0.10 -0.15 0.00 -0.00 0.00 0.00 43.42 43.40 2da6 n LEU 88 CO 0.42 -0.04 -1.12 0.00 -0.00 0.00 0.00 177.39 176.64 2da6 n ALA 89 N -1.10 1.53 -0.04 1.47 0.00 -0.54 -4.44 120.51 117.39 2da6 n ALA 89 Ca 0.12 -1.24 -0.12 0.00 0.00 0.00 0.00 53.44 52.20 2da6 n ALA 89 Cb 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 19.45 19.41 2da6 n ALA 89 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2da6 h MET 90 N 0.00 0.72 -6.35 0.00 2.86 -1.13 -3.46 114.93 107.57 2da6 h MET 90 Ca -0.52 -0.44 -0.28 0.00 -2.06 0.00 0.00 59.70 56.41 2da6 h MET 90 Cb 2.16 0.04 0.16 0.00 0.06 0.00 0.00 31.60 34.02 2da6 h MET 90 CO 0.02 1.06 -0.28 -0.25 1.06 0.00 0.00 176.91 178.53 2da6 n ASP 91 N -3.99 -3.25 -4.72 1.22 8.00 -1.18 -4.86 116.55 107.76 2da6 n ASP 91 Ca -0.03 -0.50 -0.40 0.00 0.71 0.00 0.00 54.79 54.57 2da6 n ASP 91 Cb 0.60 -0.86 0.03 0.00 -0.02 0.00 0.00 41.12 40.87 2da6 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2da6 n ALA 92 N -4.82 1.42 -2.54 2.24 0.00 -1.26 -4.93 120.51 110.61 2da6 n ALA 92 Ca 0.08 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 2da6 n ALA 92 Cb 0.44 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 2da6 n ALA 92 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2da6 s TYR 93 N -1.25 3.32 0.46 0.00 -0.85 -1.26 -5.03 117.35 112.73 2da6 s TYR 93 Ca 0.66 1.36 -0.01 0.00 -0.52 0.00 0.00 57.07 58.55 2da6 s TYR 93 Cb -0.46 -3.33 -0.01 0.00 0.38 0.00 0.00 41.96 38.53 2da6 s TYR 93 CO 0.54 -0.91 0.70 0.45 -1.52 0.00 0.00 175.55 174.81 2da6 s SER 94 N 1.33 5.91 -0.57 -0.18 0.15 -1.26 -4.97 113.70 114.11 2da6 s SER 94 Ca 0.53 0.43 -0.07 0.00 0.70 0.00 0.00 55.95 57.54 2da6 s SER 94 Cb -0.22 -1.70 -0.19 0.00 -1.71 0.00 0.00 66.02 62.20 2da6 s SER 94 CO 0.21 -0.68 3.37 -0.24 1.20 0.00 0.00 173.24 177.09 2da6 n SER 95 N -2.12 6.48 -4.88 5.45 2.88 -1.26 -4.92 113.62 115.24 2da6 n SER 95 Ca 0.01 -2.54 -0.29 0.00 -1.33 0.00 0.00 58.87 54.71 2da6 n SER 95 Cb 0.57 -1.46 -0.01 0.00 -0.75 0.00 0.00 64.21 62.56 2da6 n SER 95 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2da6 s ASN 96 N 1.98 6.37 -0.31 -3.46 0.02 -1.26 -5.02 114.94 113.26 2da6 s ASN 96 Ca 0.68 1.16 0.13 0.00 -1.02 0.00 0.00 52.86 53.81 2da6 s ASN 96 Cb 0.27 -2.35 0.47 0.00 0.02 0.00 0.00 41.25 39.67 2da6 s ASN 96 CO -0.03 -0.59 1.12 -1.54 0.02 0.00 0.00 177.10 176.08 2da6 n SER 97 N -2.02 3.36 -3.17 -1.22 3.41 -1.26 -4.96 113.62 107.75 2da6 n SER 97 Ca 0.03 -3.05 0.02 0.00 -0.26 0.00 0.00 58.87 55.62 2da6 n SER 97 Cb 0.54 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 2da6 n SER 97 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2da6 s GLY 98 N -3.60 -1.27 -1.00 5.00 0.00 -1.26 -5.09 107.32 100.10 2da6 s GLY 98 Ca 0.40 0.65 -0.24 0.00 0.00 0.00 0.00 44.72 45.53 2da6 s GLY 98 CO -0.02 3.71 1.95 2.56 0.00 0.00 0.00 173.10 181.30 2da6 s PRO 99 N 2.28 2.53 0.29 2.90 0.04 -1.26 -4.81 135.00 136.96 2da6 s PRO 99 Ca 0.14 -0.58 0.03 0.00 0.04 0.00 0.00 61.00 60.62 2da6 s PRO 99 Cb -0.06 -5.12 0.74 0.00 0.04 0.00 0.00 34.50 30.09 2da6 s PRO 99 CO -0.15 -3.59 1.64 1.03 0.04 0.00 0.00 177.00 175.97 2da6 h SER 100 N 10.76 0.02 -2.94 6.66 0.87 -2.03 -3.37 113.55 123.52 2da6 h SER 100 Ca 0.14 0.20 -0.24 0.00 -1.23 0.00 0.00 61.79 60.66 2da6 h SER 100 Cb 0.98 0.26 -0.33 0.00 -0.44 0.00 0.00 62.40 62.87 2da6 h SER 100 CO 1.21 -0.16 -0.56 -0.55 -0.53 0.00 0.00 176.83 176.24 2da6 s SER 101 N -5.07 0.45 0.00 6.23 0.15 -1.26 -5.33 113.70 108.86 2da6 s SER 101 Ca -0.12 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2da6 s SER 101 Cb 0.26 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2da6 s SER 101 CO 0.77 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.58