#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 3.49 -4.30 1.61 2.88 -1.26 -4.95 113.62 111.10 2da6 n SER 2 Ca 0.00 1.16 -0.45 0.00 -1.33 0.00 0.00 58.87 58.24 2da6 n SER 2 Cb 0.00 -1.55 -0.05 0.00 -0.75 0.00 0.00 64.21 61.87 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 0.33 6.28 -0.29 -3.46 0.15 -1.26 -4.98 113.70 110.47 2da6 s SER 3 Ca 0.63 -2.13 0.01 0.00 0.70 0.00 0.00 55.95 55.17 2da6 s SER 3 Cb -0.54 -2.17 0.15 0.00 -1.71 0.00 0.00 66.02 61.75 2da6 s SER 3 CO 0.51 -0.73 0.38 -0.83 1.20 0.00 0.00 173.24 173.77 2da6 s GLY 4 N 2.93 -0.48 0.25 9.45 0.00 -1.26 -5.15 107.32 113.06 2da6 s GLY 4 Ca 0.09 0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.92 2da6 s GLY 4 CO -0.01 2.96 0.08 -1.35 0.00 0.00 0.00 173.10 174.77 2da6 s SER 5 N 2.50 1.30 -0.14 1.64 1.04 -1.26 -5.15 113.70 113.64 2da6 s SER 5 Ca 0.10 -1.35 -0.04 0.00 0.48 0.00 0.00 55.95 55.14 2da6 s SER 5 Cb -0.13 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.18 2da6 s SER 5 CO -0.31 -0.69 0.12 -0.44 0.98 0.00 0.00 173.24 172.90 2da6 s SER 6 N -3.31 1.63 0.00 7.02 0.01 -1.26 -5.06 113.70 112.73 2da6 s SER 6 Ca 0.36 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2da6 s SER 6 Cb 0.08 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2da6 s SER 6 CO 0.12 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2da6 n GLY 7 N 5.30 -1.67 0.05 3.44 0.00 -1.26 -5.04 105.19 106.00 2da6 n GLY 7 Ca -0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 2da6 n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2da6 h ARG 8 N 0.00 0.00 -5.95 1.61 3.08 -2.08 -3.45 114.38 107.59 2da6 h ARG 8 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2da6 h ARG 8 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2da6 h ARG 8 CO 0.00 0.00 1.47 0.27 -1.07 0.00 0.00 179.97 180.64 2da6 n ASN 9 N -4.01 2.60 -3.85 7.04 0.23 -1.26 -4.93 115.26 111.08 2da6 n ASN 9 Ca -0.05 0.26 -0.13 0.00 -0.53 0.00 0.00 54.58 54.13 2da6 n ASN 9 Cb 0.19 -1.40 -0.15 0.00 -2.08 0.00 0.00 39.78 36.34 2da6 n ASN 9 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2da6 s ARG 10 N 6.45 0.04 -0.13 -3.83 1.81 -1.26 -5.10 118.95 116.92 2da6 s ARG 10 Ca 1.06 0.04 -0.35 0.00 -1.72 0.00 0.00 55.73 54.75 2da6 s ARG 10 Cb -0.60 -0.12 -0.17 0.00 -0.45 0.00 0.00 34.95 33.61 2da6 s ARG 10 CO 0.42 -0.04 1.04 0.34 -0.68 0.00 0.00 175.30 176.37 2da6 n PHE 11 N 3.40 0.83 -4.22 -0.53 7.35 -1.26 -4.91 117.46 118.12 2da6 n PHE 11 Ca -0.17 0.91 -0.34 0.00 -0.76 0.00 0.00 57.45 57.09 2da6 n PHE 11 Cb 0.57 -1.79 -0.13 0.00 0.35 0.00 0.00 39.48 38.48 2da6 n PHE 11 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2da6 s LYS 12 N 0.79 3.58 0.91 -4.13 2.47 -1.26 -5.10 119.74 116.99 2da6 s LYS 12 Ca 0.80 -0.55 -0.11 0.00 -1.56 0.00 0.00 55.97 54.55 2da6 s LYS 12 Cb -1.13 -2.97 0.10 0.00 -1.46 0.00 0.00 37.83 32.37 2da6 s LYS 12 CO 0.54 0.08 0.93 0.91 0.16 0.00 0.00 175.35 177.97 2da6 n TRP 13 N 4.02 0.20 -3.04 4.03 7.02 -1.26 -5.00 117.44 123.41 2da6 n TRP 13 Ca -0.17 0.35 -0.11 0.00 -1.02 0.00 0.00 57.50 56.55 2da6 n TRP 13 Cb 0.52 -1.95 0.04 0.00 -2.42 0.00 0.00 31.31 27.50 2da6 n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2da6 n GLY 14 N 0.70 1.98 0.26 6.99 0.00 -1.26 -4.94 105.19 108.91 2da6 n GLY 14 Ca 0.11 -2.18 -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 0.91 0.00 1.61 0.13 -2.01 -2.96 132.00 129.68 2da6 h PRO 15 Ca -0.15 -0.48 -0.03 0.00 -0.87 0.00 0.00 66.00 64.47 2da6 h PRO 15 Cb 0.69 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2da6 h PRO 15 CO 0.22 1.13 -0.17 0.00 -0.23 0.00 0.00 178.00 178.95 2da6 h ALA 16 N 0.76 0.03 -0.37 -0.56 0.00 -1.96 -3.32 119.26 113.84 2da6 h ALA 16 Ca 0.06 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2da6 h ALA 16 Cb 0.96 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2da6 h ALA 16 CO 0.09 0.10 -0.42 0.77 0.00 0.00 0.00 179.25 179.79 2da6 h SER 17 N -1.00 -1.42 -0.74 0.00 0.02 -1.85 -1.79 113.55 106.78 2da6 h SER 17 Ca -0.04 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 2da6 h SER 17 Cb 0.91 0.59 -0.09 0.00 0.14 0.00 0.00 62.40 63.95 2da6 h SER 17 CO -0.03 -0.28 -0.45 1.56 -1.14 0.00 0.00 176.83 176.49 2da6 h GLN 18 N -0.25 -0.02 -0.88 3.45 4.20 -1.70 0.38 115.11 120.29 2da6 h GLN 18 Ca 0.06 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.01 2da6 h GLN 18 Cb 0.42 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.06 2da6 h GLN 18 CO -0.48 -0.01 0.15 1.96 -0.67 0.00 0.00 178.83 179.78 2da6 h GLN 19 N -0.02 0.13 -0.90 1.46 1.08 -1.50 0.52 115.11 115.88 2da6 h GLN 19 Ca 0.12 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.34 2da6 h GLN 19 Cb 0.32 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 2da6 h GLN 19 CO -0.70 0.09 0.58 0.82 -0.95 0.00 0.00 178.83 178.67 2da6 h ILE 20 N 0.14 1.15 -0.79 2.54 2.04 0.54 -1.77 117.51 121.36 2da6 h ILE 20 Ca 0.54 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 2da6 h ILE 20 Cb 1.10 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2da6 h ILE 20 CO -0.72 0.21 0.47 -0.07 0.00 0.00 0.00 178.15 178.04 2da6 h LEU 21 N 1.14 0.94 -0.07 1.44 3.38 0.12 -2.47 115.31 119.79 2da6 h LEU 21 Ca 0.36 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2da6 h LEU 21 Cb -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2da6 h LEU 21 CO -0.12 0.73 -0.01 1.88 0.09 0.00 0.00 178.44 181.02 2da6 h TYR 22 N 1.08 0.15 -0.84 1.13 0.05 -0.66 0.70 116.97 118.58 2da6 h TYR 22 Ca 0.28 -0.03 0.16 0.00 0.05 0.00 0.00 58.73 59.20 2da6 h TYR 22 Cb -0.03 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 37.61 2da6 h TYR 22 CO 0.00 0.43 0.55 1.96 -1.05 0.00 0.00 178.16 180.06 2da6 h GLN 23 N -0.18 0.50 0.09 4.88 1.08 -1.10 0.35 115.11 120.73 2da6 h GLN 23 Ca 0.02 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 2da6 h GLN 23 Cb 0.38 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2da6 h GLN 23 CO 0.01 0.33 -0.55 0.00 -0.95 0.00 0.00 178.83 177.67 2da6 h ALA 24 N 1.62 -0.06 0.00 3.87 0.00 -1.28 -3.30 119.26 120.11 2da6 h ALA 24 Ca 0.43 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2da6 h ALA 24 Cb 0.90 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2da6 h ALA 24 CO -0.17 0.25 -0.09 -0.92 0.00 0.00 0.00 179.25 178.32 2da6 h TYR 25 N -0.59 0.00 0.00 0.00 5.03 -0.15 -0.88 116.97 120.38 2da6 h TYR 25 Ca -0.10 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.17 2da6 h TYR 25 Cb 1.43 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.70 2da6 h TYR 25 CO 0.22 0.09 -0.21 0.22 -1.32 0.00 0.00 178.16 177.17 2da6 h ASP 26 N 0.00 0.00 0.02 -2.11 3.58 -0.40 -3.21 116.42 114.30 2da6 h ASP 26 Ca -0.00 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.18 2da6 h ASP 26 Cb 0.18 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2da6 h ASP 26 CO 0.01 0.21 -1.44 0.54 -2.88 0.00 0.00 179.24 175.68 2da6 n ARG 27 N -3.71 0.60 -4.15 0.28 1.74 -0.45 -4.95 116.66 106.03 2da6 n ARG 27 Ca -0.01 0.51 -0.18 0.00 -0.77 0.00 0.00 57.85 57.40 2da6 n ARG 27 Cb 0.33 -1.73 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 2da6 n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2da6 s GLN 28 N -2.40 0.60 0.07 5.56 2.00 -0.52 -5.04 119.66 119.93 2da6 s GLN 28 Ca -0.28 -0.13 -0.09 0.00 -2.00 0.00 0.00 55.36 52.86 2da6 s GLN 28 Cb 0.06 -0.62 -0.27 0.00 0.80 0.00 0.00 33.01 32.99 2da6 s GLN 28 CO 0.62 0.01 1.13 0.87 -0.50 0.00 0.00 175.29 177.42 2da6 h LYS 29 N 6.66 0.43 -3.42 1.67 1.79 -1.85 -3.36 116.57 118.49 2da6 h LYS 29 Ca -0.35 -0.65 -0.71 0.00 -2.18 0.00 0.00 60.65 56.76 2da6 h LYS 29 Cb 1.17 0.23 -0.34 0.00 -1.58 0.00 0.00 32.23 31.70 2da6 h LYS 29 CO 0.49 1.29 -0.12 -0.80 -1.08 0.00 0.00 179.45 179.22 2da6 s ASN 30 N -7.30 5.92 0.11 0.86 0.01 -1.26 -4.99 114.94 108.29 2da6 s ASN 30 Ca -0.07 -3.44 -0.31 0.00 -0.71 0.00 0.00 52.86 48.33 2da6 s ASN 30 Cb 0.06 -1.93 -0.08 0.00 0.41 0.00 0.00 41.25 39.72 2da6 s ASN 30 CO 0.91 -0.26 1.37 -2.16 -1.51 0.00 0.00 177.10 175.44 2da6 s PRO 31 N -0.94 4.33 0.62 -0.60 0.04 -1.26 -5.03 135.00 132.16 2da6 s PRO 31 Ca 0.24 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.35 2da6 s PRO 31 Cb -0.11 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.26 2da6 s PRO 31 CO -0.10 -0.41 0.86 -1.12 0.04 0.00 0.00 177.00 176.27 2da6 s SER 32 N 1.09 4.86 0.27 6.66 0.01 -1.26 -4.44 113.70 120.90 2da6 s SER 32 Ca 0.64 -0.36 0.11 0.00 1.31 0.00 0.00 55.95 57.64 2da6 s SER 32 Cb -0.36 -0.25 0.89 0.00 0.21 0.00 0.00 66.02 66.51 2da6 s SER 32 CO 0.30 -1.47 1.24 1.17 0.41 0.00 0.00 173.24 174.90 2da6 n LYS 33 N -2.50 -0.05 0.30 12.44 4.81 -1.26 0.06 118.16 131.95 2da6 n LYS 33 Ca 0.13 1.12 -0.12 0.00 -0.87 0.00 0.00 58.31 58.57 2da6 n LYS 33 Cb 0.60 -1.93 -0.06 0.00 0.02 0.00 0.00 35.03 33.67 2da6 n LYS 33 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2da6 h GLU 34 N 0.00 -0.77 0.35 1.64 4.39 -1.99 -1.49 114.58 116.72 2da6 h GLU 34 Ca 0.60 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.34 2da6 h GLU 34 Cb 1.48 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.28 2da6 h GLU 34 CO -0.66 -0.51 -0.39 0.93 -1.16 0.00 0.00 179.01 177.21 2da6 h GLU 35 N -1.18 -0.73 -0.61 2.33 4.39 -0.83 -1.36 114.58 116.60 2da6 h GLU 35 Ca -0.08 0.05 0.12 0.00 0.34 0.00 0.00 59.36 59.79 2da6 h GLU 35 Cb 0.61 0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 29.31 2da6 h GLU 35 CO 0.13 -0.48 -0.17 0.00 -1.16 0.00 0.00 179.01 177.33 2da6 h ARG 36 N -0.75 -0.01 -0.30 2.33 3.08 -0.51 -1.04 114.38 117.17 2da6 h ARG 36 Ca -0.04 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.08 2da6 h ARG 36 Cb 0.66 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.64 2da6 h ARG 36 CO -0.07 -0.01 -0.23 0.93 -1.07 0.00 0.00 179.97 179.52 2da6 h GLU 37 N -0.01 -0.20 -0.04 0.04 4.39 -0.98 0.29 114.58 118.07 2da6 h GLU 37 Ca 0.29 0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.02 2da6 h GLU 37 Cb 0.46 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2da6 h GLU 37 CO -0.64 -0.13 0.62 0.00 -1.16 0.00 0.00 179.01 177.69 2da6 h ALA 38 N 0.90 1.66 0.00 3.43 0.00 -0.03 1.05 119.26 126.27 2da6 h ALA 38 Ca 0.16 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.79 2da6 h ALA 38 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2da6 h ALA 38 CO -0.42 -0.64 -1.96 1.28 0.00 0.00 0.00 179.25 177.50 2da6 n LEU 39 N -2.78 0.43 -0.11 0.00 4.77 0.95 -2.94 117.00 117.32 2da6 n LEU 39 Ca -0.00 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 2da6 n LEU 39 Cb 0.66 0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 42.00 2da6 n LEU 39 CO 0.09 0.36 0.58 0.58 -1.33 0.00 0.00 177.39 177.67 2da6 h VAL 40 N 0.00 1.29 0.16 4.08 2.07 0.20 -1.23 116.25 122.81 2da6 h VAL 40 Ca -0.35 -1.46 -0.23 0.00 0.82 0.00 0.00 66.70 65.47 2da6 h VAL 40 Cb 1.96 1.45 0.02 0.00 -1.52 0.00 0.00 31.29 33.20 2da6 h VAL 40 CO 0.05 0.48 -1.06 1.05 0.02 0.00 0.00 177.57 178.10 2da6 h GLU 41 N 0.59 0.34 -0.45 1.57 4.11 -1.50 -3.02 114.58 116.22 2da6 h GLU 41 Ca 0.06 -0.58 0.01 0.00 0.07 0.00 0.00 59.36 58.92 2da6 h GLU 41 Cb 0.87 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2da6 h GLU 41 CO 0.08 1.28 0.29 1.49 0.07 0.00 0.00 179.01 182.22 2da6 h GLU 42 N -0.25 0.58 0.39 1.06 4.57 -1.61 -0.94 114.58 118.37 2da6 h GLU 42 Ca -0.20 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 2da6 h GLU 42 Cb 1.77 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 2da6 h GLU 42 CO 0.16 0.38 -0.19 0.00 -1.18 0.00 0.00 179.01 178.19 2da6 h ASN 44 N -0.57 0.39 0.44 0.00 2.35 -1.55 0.18 115.58 116.82 2da6 h ASN 44 Ca -0.05 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2da6 h ASN 44 Cb 0.40 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2da6 h ASN 44 CO 0.09 -0.03 -0.21 -0.09 -1.65 0.00 0.00 177.43 175.54 2da6 h ARG 45 N 0.29 -0.57 -0.91 0.81 2.43 -1.02 -2.81 114.38 112.59 2da6 h ARG 45 Ca 0.68 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.95 2da6 h ARG 45 Cb 1.87 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 31.49 2da6 h ARG 45 CO -0.37 -0.27 0.58 0.00 -1.51 0.00 0.00 179.97 178.40 2da6 h ALA 46 N -0.53 1.24 -0.94 2.80 0.00 0.43 -1.79 119.26 120.47 2da6 h ALA 46 Ca -0.06 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2da6 h ALA 46 Cb 0.57 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 2da6 h ALA 46 CO 0.10 0.37 0.57 0.93 0.00 0.00 0.00 179.25 181.22 2da6 h GLU 47 N 1.08 0.87 -0.31 0.00 5.08 -0.71 -0.11 114.58 120.48 2da6 h GLU 47 Ca 0.39 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2da6 h GLU 47 Cb 0.12 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2da6 h GLU 47 CO -0.16 0.58 -0.10 0.00 -1.00 0.00 0.00 179.01 178.32 2da6 h LEU 49 N 0.39 -0.83 -0.66 0.00 3.38 -0.85 1.93 115.31 118.67 2da6 h LEU 49 Ca 0.08 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2da6 h LEU 49 Cb 0.61 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2da6 h LEU 49 CO 0.04 -0.59 0.35 0.06 0.09 0.00 0.00 178.44 178.39 2da6 h GLN 50 N -0.98 0.62 0.00 1.13 3.07 -1.11 0.19 115.11 118.03 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 0.75 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.17 2da6 h GLN 50 CO 0.16 0.41 0.00 0.54 0.09 0.00 0.00 178.83 180.03 2da6 n ARG 51 N -4.82 0.93 0.00 0.06 1.74 -0.53 -4.85 116.66 109.19 2da6 n ARG 51 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2da6 n ARG 51 Cb 0.20 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 0.59 2.86 3.35 -0.13 0.00 0.65 -4.99 105.19 107.52 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 -0.62 0.00 0.00 0.00 173.32 172.70 2da6 n VAL 53 N -1.25 0.00 -3.80 1.61 0.31 0.64 -4.78 118.33 111.05 2da6 n VAL 53 Ca 0.00 -0.29 -0.37 0.00 -0.01 0.00 0.00 64.34 63.67 2da6 n VAL 53 Cb 0.00 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 2da6 n VAL 53 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2da6 s SER 54 N -2.68 6.48 0.00 4.52 0.15 -1.26 -3.16 113.70 117.75 2da6 s SER 54 Ca 0.68 0.56 0.15 0.00 0.70 0.00 0.00 55.95 58.05 2da6 s SER 54 Cb -0.20 -2.10 0.81 0.00 -1.71 0.00 0.00 66.02 62.82 2da6 s SER 54 CO 0.62 0.37 1.38 -0.81 1.20 0.00 0.00 173.24 176.00 2da6 n PRO 55 N 1.79 0.31 -0.00 5.44 -0.04 -1.26 -1.93 135.00 139.31 2da6 n PRO 55 Ca -0.17 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.49 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 -1.18 0.61 -1.45 3.54 2.88 -1.26 -4.27 113.62 112.49 2da6 n SER 56 Ca 0.09 -0.56 -0.12 0.00 -1.33 0.00 0.00 58.87 56.95 2da6 n SER 56 Cb 0.09 1.31 0.15 0.00 -0.75 0.00 0.00 64.21 65.01 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 -1.81 2.32 0.10 -1.46 4.76 -0.81 -4.72 118.16 116.54 2da6 n LYS 57 Ca 0.01 -3.45 0.12 0.00 -2.87 0.00 0.00 58.31 52.12 2da6 n LYS 57 Cb 0.43 -1.96 0.61 0.00 -1.84 0.00 0.00 35.03 32.26 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 1.38 2.12 -0.66 7.82 0.00 -1.74 -1.37 119.26 126.81 2da6 h ALA 58 Ca 0.28 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.37 2da6 h ALA 58 Cb 1.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2da6 h ALA 58 CO 0.57 -0.19 0.71 1.12 0.00 0.00 0.00 179.25 181.46 2da6 h HIS 59 N 0.13 0.00 -0.04 0.00 2.07 -1.93 0.60 115.15 115.97 2da6 h HIS 59 Ca 0.14 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.52 2da6 h HIS 59 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 2da6 h HIS 59 CO -0.00 0.00 -0.58 0.78 -3.07 0.00 0.00 177.93 175.06 2da6 h GLY 60 N 0.00 0.15 -0.97 6.13 0.00 -1.65 -3.18 103.07 103.55 2da6 h GLY 60 Ca 0.31 -0.18 0.41 0.00 0.00 0.00 0.00 47.33 47.88 2da6 h GLY 60 CO -0.00 0.16 0.66 1.41 0.00 0.00 0.00 176.54 178.76 2da6 h LEU 61 N 0.10 0.33 0.00 3.11 3.38 0.05 -3.43 115.31 118.86 2da6 h LEU 61 Ca -0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2da6 h LEU 61 Cb 1.05 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2da6 h LEU 61 CO 0.08 -0.30 0.00 0.61 0.09 0.00 0.00 178.44 178.92 2da6 n GLY 62 N -1.35 0.37 0.26 0.83 0.00 -1.20 -0.62 105.19 103.47 2da6 n GLY 62 Ca 0.37 0.60 -0.03 0.00 0.00 0.00 0.00 46.02 46.96 2da6 n GLY 62 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2da6 h SER 63 N 0.00 0.55 -0.38 1.61 0.02 -1.94 -2.20 113.55 111.21 2da6 h SER 63 Ca 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2da6 h SER 63 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2da6 h SER 63 CO 0.00 0.72 0.00 -3.20 -1.14 0.00 0.00 176.83 173.21 2da6 n ASN 64 N -4.18 3.86 -4.78 3.07 5.15 0.21 -4.71 115.26 113.88 2da6 n ASN 64 Ca 0.01 -2.53 -0.39 0.00 -0.60 0.00 0.00 54.58 51.07 2da6 n ASN 64 Cb 0.35 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.95 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2da6 s LEU 65 N -1.67 4.46 0.27 1.20 2.96 -0.83 -4.89 118.68 120.19 2da6 s LEU 65 Ca 0.34 1.23 -0.02 0.00 -0.22 0.00 0.00 54.13 55.46 2da6 s LEU 65 Cb 0.25 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2da6 s LEU 65 CO 0.11 0.16 0.50 -0.69 -1.32 0.00 0.00 176.35 175.12 2da6 s VAL 66 N -0.55 5.10 0.07 1.68 1.01 -1.26 -4.94 120.40 121.52 2da6 s VAL 66 Ca 0.31 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 2da6 s VAL 66 Cb -0.19 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.47 2da6 s VAL 66 CO 0.18 -0.33 0.47 0.42 0.00 0.00 0.00 175.10 175.84 2da6 s THR 67 N -2.07 0.04 0.26 3.92 -4.23 -1.26 -4.97 115.64 107.33 2da6 s THR 67 Ca 0.41 -0.36 0.08 0.00 -1.18 0.00 0.00 61.69 60.64 2da6 s THR 67 Cb -0.11 -1.02 0.30 0.00 1.34 0.00 0.00 72.50 73.02 2da6 s THR 67 CO 0.31 -0.20 1.21 1.21 -0.54 0.00 0.00 174.62 176.61 2da6 n GLU 68 N 0.22 -0.05 0.20 3.99 2.13 -1.26 0.90 120.64 126.76 2da6 n GLU 68 Ca -0.18 1.12 -0.15 0.00 0.66 0.00 0.00 57.16 58.61 2da6 n GLU 68 Cb 0.61 -1.87 -0.08 0.00 0.27 0.00 0.00 31.44 30.37 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 0.66 -0.82 6.31 2.07 -1.98 -1.38 116.25 121.11 2da6 h VAL 69 Ca 0.55 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.95 2da6 h VAL 69 Cb 1.31 0.80 -0.14 0.00 -1.52 0.00 0.00 31.29 31.74 2da6 h VAL 69 CO -0.67 0.05 -0.33 0.03 0.02 0.00 0.00 177.57 176.67 2da6 h ARG 70 N -0.62 -0.06 -0.71 1.57 2.47 0.13 0.39 114.38 117.55 2da6 h ARG 70 Ca -0.05 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.61 2da6 h ARG 70 Cb 0.45 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 2da6 h ARG 70 CO 0.08 -0.04 0.19 0.28 0.56 0.00 0.00 179.97 181.04 2da6 h VAL 71 N -0.06 1.26 -0.85 2.04 2.07 -1.41 -2.11 116.25 117.20 2da6 h VAL 71 Ca 0.32 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2da6 h VAL 71 Cb 0.59 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2da6 h VAL 71 CO -0.86 0.36 0.56 0.22 0.02 0.00 0.00 177.57 177.88 2da6 h TYR 72 N 1.06 1.01 -0.15 1.57 5.03 0.80 -1.01 116.97 125.29 2da6 h TYR 72 Ca 0.22 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.46 2da6 h TYR 72 Cb 0.35 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.29 2da6 h TYR 72 CO 0.03 0.59 -0.31 -0.91 -1.32 0.00 0.00 178.16 176.23 2da6 h ASN 73 N 1.05 0.54 -0.79 -2.11 2.35 -0.49 -0.66 115.58 115.46 2da6 h ASN 73 Ca 0.34 -0.56 0.02 0.00 -0.55 0.00 0.00 56.30 55.56 2da6 h ASN 73 Cb 0.04 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2da6 h ASN 73 CO -0.10 1.00 0.52 -0.25 -1.65 0.00 0.00 177.43 176.95 2da6 h TRP 74 N 0.11 0.96 0.07 1.19 7.01 -0.94 -0.40 115.95 123.95 2da6 h TRP 74 Ca 0.00 0.02 -0.27 0.00 2.11 0.00 0.00 58.89 60.76 2da6 h TRP 74 Cb 0.91 -0.32 0.02 0.00 -2.10 0.00 0.00 29.16 27.66 2da6 h TRP 74 CO 0.10 0.58 -1.13 0.74 -2.79 0.00 0.00 178.44 175.93 2da6 h PHE 75 N 1.01 0.80 -0.69 2.65 -1.00 -1.18 -2.56 116.94 115.98 2da6 h PHE 75 Ca 0.31 -0.49 -0.04 0.00 2.81 0.00 0.00 57.97 60.56 2da6 h PHE 75 Cb -0.02 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 2da6 h PHE 75 CO -0.00 1.33 0.29 0.00 -1.61 0.00 0.00 178.31 178.32 2da6 h ALA 76 N 0.50 0.90 -0.18 2.45 0.00 -0.59 -1.79 119.26 120.54 2da6 h ALA 76 Ca -0.14 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 2da6 h ALA 76 Cb 1.80 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2da6 h ALA 76 CO 0.21 0.50 -0.61 -0.97 0.00 0.00 0.00 179.25 178.38 2da6 h ASN 77 N 0.98 0.71 0.11 0.00 -1.24 -1.16 0.42 115.58 115.39 2da6 h ASN 77 Ca 0.23 -0.40 -0.05 0.00 0.71 0.00 0.00 56.30 56.79 2da6 h ASN 77 Cb 0.19 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2da6 h ASN 77 CO -0.02 1.15 -0.17 0.03 -1.29 0.00 0.00 177.43 177.13 2da6 h ARG 78 N 0.47 0.14 0.02 6.67 2.47 -1.21 0.51 114.38 123.45 2da6 h ARG 78 Ca -0.00 -0.03 -0.33 0.00 -1.26 0.00 0.00 59.98 58.35 2da6 h ARG 78 Cb 1.18 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.43 2da6 h ARG 78 CO 0.12 0.31 -2.01 0.54 0.56 0.00 0.00 179.97 179.49 2da6 n ARG 79 N -4.27 0.67 0.09 0.04 1.74 -0.69 -3.25 116.66 110.99 2da6 n ARG 79 Ca -0.01 0.20 -0.07 0.00 -0.77 0.00 0.00 57.85 57.20 2da6 n ARG 79 Cb 0.27 -1.68 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 0.01 0.09 0.03 5.56 1.57 -0.00 -2.89 116.57 120.94 2da6 h LYS 80 Ca -0.41 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.18 2da6 h LYS 80 Cb 2.07 0.03 0.01 0.00 0.08 0.00 0.00 32.23 34.42 2da6 h LYS 80 CO 0.05 0.89 -0.37 1.05 -0.57 0.00 0.00 179.45 180.51 2da6 h GLU 81 N 0.05 0.20 -0.11 3.15 4.11 -0.14 -0.83 114.58 121.01 2da6 h GLU 81 Ca -0.03 -0.25 0.01 0.00 0.07 0.00 0.00 59.36 59.16 2da6 h GLU 81 Cb 1.50 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 2da6 h GLU 81 CO 0.12 1.02 0.07 1.05 0.07 0.00 0.00 179.01 181.35 2da6 h GLU 82 N -0.51 0.11 0.00 1.06 4.11 -1.64 -1.04 114.58 116.67 2da6 h GLU 82 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2da6 h GLU 82 Cb 1.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2da6 h GLU 82 CO 0.07 0.07 -0.99 0.00 0.07 0.00 0.00 179.01 178.23 2da6 n ALA 83 N -2.53 2.86 0.18 1.06 0.00 -1.09 -4.39 120.51 116.59 2da6 n ALA 83 Ca -0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 2da6 n ALA 83 Cb 0.11 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.72 -0.75 0.00 3.04 0.25 0.33 116.94 119.09 2da6 h PHE 84 Ca 0.00 0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.17 2da6 h PHE 84 Cb 0.87 0.27 -0.03 0.00 2.56 0.00 0.00 35.95 39.63 2da6 h PHE 84 CO 0.00 -0.36 0.96 0.00 -2.02 0.00 0.00 178.31 176.88 2da6 h ARG 85 N -0.56 0.00 0.14 1.11 3.08 -1.76 0.96 114.38 117.35 2da6 h ARG 85 Ca -0.04 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.66 2da6 h ARG 85 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2da6 h ARG 85 CO -0.01 0.00 -1.87 1.96 -1.07 0.00 0.00 179.97 178.99 2da6 h GLN 86 N 0.00 0.29 -0.21 0.04 4.20 -1.49 -3.34 115.11 114.60 2da6 h GLN 86 Ca 0.36 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 2da6 h GLN 86 Cb 2.27 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 30.22 2da6 h GLN 86 CO -0.00 1.19 0.13 -0.22 -0.67 0.00 0.00 178.83 179.25 2da6 h LYS 87 N 0.08 0.28 0.00 1.46 3.64 0.48 -0.94 116.57 121.57 2da6 h LYS 87 Ca -0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2da6 h LYS 87 Cb 2.05 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 2da6 h LYS 87 CO 0.12 0.23 0.00 1.47 -2.27 0.00 0.00 179.45 179.00 2da6 n LEU 88 N -4.91 0.00 -0.05 5.20 -0.00 -0.51 -1.83 117.00 114.90 2da6 n LEU 88 Ca -0.03 0.30 -0.14 0.00 -0.00 0.00 0.00 56.01 56.14 2da6 n LEU 88 Cb 0.05 -0.30 -0.14 0.00 -0.00 0.00 0.00 43.42 43.02 2da6 n LEU 88 CO 0.34 -0.22 -0.86 0.00 -0.00 0.00 0.00 177.39 176.65 2da6 n ALA 89 N -1.30 1.31 0.08 1.47 0.00 -0.40 -4.15 120.51 117.52 2da6 n ALA 89 Ca 0.04 -0.88 0.16 0.00 0.00 0.00 0.00 53.44 52.77 2da6 n ALA 89 Cb 0.07 -0.55 0.68 0.00 0.00 0.00 0.00 19.45 19.65 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 0.02 0.00 -7.17 0.00 2.86 -0.90 -3.43 114.93 106.32 2da6 h MET 90 Ca -0.42 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 56.80 2da6 h MET 90 Cb 2.05 0.00 0.20 0.00 0.06 0.00 0.00 31.60 33.91 2da6 h MET 90 CO 0.05 0.00 0.00 0.34 1.06 0.00 0.00 176.91 178.36 2da6 s ASP 91 N -6.45 0.49 -0.12 1.22 2.15 -1.24 -4.99 116.67 107.72 2da6 s ASP 91 Ca -0.05 1.15 0.04 0.00 0.43 0.00 0.00 52.55 54.12 2da6 s ASP 91 Cb 0.19 -1.74 -0.24 0.00 -0.30 0.00 0.00 42.92 40.83 2da6 s ASP 91 CO 0.71 -4.45 0.37 0.00 -0.17 0.00 0.00 175.17 171.62 2da6 n ALA 92 N -5.05 1.24 -3.90 3.66 0.00 -1.26 -4.80 120.51 110.39 2da6 n ALA 92 Ca 0.07 -0.80 -0.33 0.00 0.00 0.00 0.00 53.44 52.38 2da6 n ALA 92 Cb 0.57 -0.61 -0.14 0.00 0.00 0.00 0.00 19.45 19.26 2da6 n ALA 92 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2da6 s TYR 93 N -2.56 3.32 0.08 0.00 2.02 -1.26 -5.08 117.35 113.86 2da6 s TYR 93 Ca -0.16 -2.22 -0.21 0.00 -0.37 0.00 0.00 57.07 54.10 2da6 s TYR 93 Cb 0.07 -2.13 0.05 0.00 -0.40 0.00 0.00 41.96 39.56 2da6 s TYR 93 CO 0.78 -0.86 0.51 -1.12 -1.57 0.00 0.00 175.55 173.28 2da6 s SER 94 N 1.17 -0.42 0.20 2.29 0.01 -1.26 -5.08 113.70 110.60 2da6 s SER 94 Ca -0.05 0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.34 2da6 s SER 94 Cb -0.20 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 2da6 s SER 94 CO -0.04 -0.78 0.02 -0.44 0.41 0.00 0.00 173.24 172.41 2da6 s SER 95 N -2.24 4.82 0.77 2.44 0.01 -1.26 -5.11 113.70 113.12 2da6 s SER 95 Ca -0.03 -0.42 -0.12 0.00 1.31 0.00 0.00 55.95 56.70 2da6 s SER 95 Cb -0.00 -1.03 0.05 0.00 0.21 0.00 0.00 66.02 65.24 2da6 s SER 95 CO -0.05 0.06 1.11 0.20 0.41 0.00 0.00 173.24 174.97 2da6 s ASN 96 N -3.15 4.86 0.27 2.44 -0.87 -1.26 -5.05 114.94 112.18 2da6 s ASN 96 Ca 0.29 1.11 0.09 0.00 -1.57 0.00 0.00 52.86 52.78 2da6 s ASN 96 Cb -0.09 -1.82 -0.04 0.00 -0.02 0.00 0.00 41.25 39.28 2da6 s ASN 96 CO 0.19 -1.71 0.05 -0.55 -2.57 0.00 0.00 177.10 172.51 2da6 s SER 97 N -4.24 4.74 1.13 -1.22 0.15 -1.26 -5.12 113.70 107.89 2da6 s SER 97 Ca 0.60 -0.59 -0.18 0.00 0.70 0.00 0.00 55.95 56.48 2da6 s SER 97 Cb -0.12 -0.93 0.14 0.00 -1.71 0.00 0.00 66.02 63.40 2da6 s SER 97 CO 0.52 -0.05 0.14 0.61 1.20 0.00 0.00 173.24 175.67 2da6 n GLY 98 N -0.98 -2.56 3.77 9.45 0.00 -1.26 -4.91 105.19 108.69 2da6 n GLY 98 Ca -0.06 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 2da6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2da6 s PRO 99 N -3.58 4.42 0.61 1.61 0.04 -1.26 -5.02 135.00 131.82 2da6 s PRO 99 Ca 0.54 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.48 2da6 s PRO 99 Cb -0.11 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2da6 s PRO 99 CO 0.60 -0.07 1.05 -1.54 0.04 0.00 0.00 177.00 177.08 2da6 s SER 100 N -0.69 5.79 -0.02 6.66 1.04 -1.26 -5.07 113.70 120.15 2da6 s SER 100 Ca 0.48 1.71 0.06 0.00 0.48 0.00 0.00 55.95 58.69 2da6 s SER 100 Cb -0.36 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.23 2da6 s SER 100 CO 0.47 -1.16 -0.19 -0.94 0.98 0.00 0.00 173.24 172.40 2da6 s SER 101 N -3.17 2.29 0.00 7.02 1.04 -1.26 -5.32 113.70 114.31 2da6 s SER 101 Ca 0.61 -0.35 0.14 0.00 0.48 0.00 0.00 55.95 56.82 2da6 s SER 101 Cb -0.14 -0.27 0.11 0.00 0.10 0.00 0.00 66.02 65.82 2da6 s SER 101 CO 0.42 0.24 0.94 0.61 0.98 0.00 0.00 173.24 176.43