#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 -2.02 -4.82 1.61 3.41 -1.26 -4.90 113.62 105.65 2da6 n SER 2 Ca 0.00 -1.12 -0.31 0.00 -0.26 0.00 0.00 58.87 57.18 2da6 n SER 2 Cb 0.00 -2.27 0.04 0.00 -0.26 0.00 0.00 64.21 61.71 2da6 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2da6 s SER 3 N -3.52 5.58 0.00 4.04 0.15 -1.26 -5.02 113.70 113.67 2da6 s SER 3 Ca 0.61 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.91 2da6 s SER 3 Cb -0.34 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 2da6 s SER 3 CO 0.97 -1.31 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2da6 n GLY 4 N -1.81 1.59 2.73 9.45 0.00 -1.26 -5.09 105.19 110.80 2da6 n GLY 4 Ca 0.08 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 1.15 3.69 -0.95 1.61 0.01 -1.26 -5.06 113.70 112.89 2da6 s SER 5 Ca 0.00 -2.69 -0.24 0.00 1.31 0.00 0.00 55.95 54.33 2da6 s SER 5 Cb 0.00 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.18 2da6 s SER 5 CO 0.00 -0.26 1.48 -0.44 0.41 0.00 0.00 173.24 174.44 2da6 s SER 6 N 0.25 6.27 0.00 2.44 0.01 -1.26 -4.76 113.70 116.65 2da6 s SER 6 Ca 0.18 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2da6 s SER 6 Cb -0.23 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2da6 s SER 6 CO -0.01 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.54 2da6 n GLY 7 N 6.60 3.02 0.11 3.44 0.00 -1.26 -5.06 105.19 112.04 2da6 n GLY 7 Ca 0.28 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 2da6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2da6 n ARG 8 N 0.00 0.60 -3.45 1.61 5.12 -1.26 -4.93 116.66 114.34 2da6 n ARG 8 Ca 0.00 0.50 -0.25 0.00 -1.93 0.00 0.00 57.85 56.17 2da6 n ARG 8 Cb 0.00 -1.72 -0.05 0.00 -1.16 0.00 0.00 32.46 29.53 2da6 n ARG 8 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2da6 n ASN 9 N -4.26 -1.28 -4.02 0.55 0.23 -1.26 -4.82 115.26 100.40 2da6 n ASN 9 Ca -0.34 -0.64 -0.33 0.00 -0.53 0.00 0.00 54.58 52.74 2da6 n ASN 9 Cb 0.76 -1.15 -0.10 0.00 -2.08 0.00 0.00 39.78 37.21 2da6 n ASN 9 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2da6 s ARG 10 N -5.45 2.77 -0.29 -3.83 6.06 -1.26 -5.00 118.95 111.95 2da6 s ARG 10 Ca 0.50 -3.14 -0.16 0.00 -2.50 0.00 0.00 55.73 50.43 2da6 s ARG 10 Cb -0.29 -3.68 0.17 0.00 0.06 0.00 0.00 34.95 31.21 2da6 s ARG 10 CO 0.61 -1.24 1.09 0.12 -2.50 0.00 0.00 175.30 173.37 2da6 s PHE 11 N -1.11 -0.39 -0.20 5.12 5.36 -1.26 -4.94 117.98 120.56 2da6 s PHE 11 Ca 0.24 0.76 -0.07 0.00 -0.96 0.00 0.00 56.93 56.90 2da6 s PHE 11 Cb -0.10 0.24 -0.04 0.00 -0.34 0.00 0.00 43.02 42.78 2da6 s PHE 11 CO -0.11 -0.20 0.06 0.21 -1.46 0.00 0.00 175.22 173.72 2da6 s LYS 12 N 1.45 3.88 0.48 10.12 2.36 -1.26 -5.08 119.74 131.68 2da6 s LYS 12 Ca -0.07 -0.39 -0.23 0.00 -2.55 0.00 0.00 55.97 52.73 2da6 s LYS 12 Cb -0.03 -3.24 -0.07 0.00 -1.05 0.00 0.00 37.83 33.44 2da6 s LYS 12 CO -0.14 0.14 1.31 -1.58 1.55 0.00 0.00 175.35 176.63 2da6 s TRP 13 N 0.74 2.57 0.33 4.03 0.52 -1.26 -4.96 118.94 120.90 2da6 s TRP 13 Ca 0.03 1.41 -0.04 0.00 0.02 0.00 0.00 56.10 57.52 2da6 s TRP 13 Cb -0.13 -3.69 0.07 0.00 -1.15 0.00 0.00 33.47 28.57 2da6 s TRP 13 CO 0.02 -2.39 0.45 0.41 0.02 0.00 0.00 176.95 175.46 2da6 n GLY 14 N 0.63 -0.46 0.08 0.98 0.00 -1.26 -4.85 105.19 100.31 2da6 n GLY 14 Ca 0.07 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 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 0.11 0.01 1.61 0.13 -2.00 -2.70 132.00 129.16 2da6 h PRO 15 Ca -0.15 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.85 2da6 h PRO 15 Cb 0.45 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.59 2da6 h PRO 15 CO 0.12 0.57 -0.28 0.00 -0.23 0.00 0.00 178.00 178.18 2da6 h ALA 16 N 0.54 0.02 -0.09 -0.56 0.00 -1.95 -3.26 119.26 113.97 2da6 h ALA 16 Ca 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.46 2da6 h ALA 16 Cb 0.55 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2da6 h ALA 16 CO 0.01 0.11 -0.49 0.77 0.00 0.00 0.00 179.25 179.65 2da6 h SER 17 N -0.53 -1.52 -0.49 0.00 0.02 -1.86 -1.98 113.55 107.19 2da6 h SER 17 Ca -0.04 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2da6 h SER 17 Cb 1.06 0.60 -0.08 0.00 0.14 0.00 0.00 62.40 64.12 2da6 h SER 17 CO 0.05 -0.47 -0.53 1.56 -1.14 0.00 0.00 176.83 176.30 2da6 h GLN 18 N -0.57 -0.29 -0.84 3.45 4.20 -1.62 0.46 115.11 119.90 2da6 h GLN 18 Ca 0.05 0.02 0.20 0.00 0.06 0.00 0.00 58.65 58.98 2da6 h GLN 18 Cb 0.67 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.37 2da6 h GLN 18 CO -0.39 -0.19 0.02 1.96 -0.67 0.00 0.00 178.83 179.55 2da6 h GLN 19 N -0.30 0.08 -0.98 1.46 1.08 -1.50 0.55 115.11 115.50 2da6 h GLN 19 Ca 0.08 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.36 2da6 h GLN 19 Cb 0.52 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.86 2da6 h GLN 19 CO -0.62 0.05 0.63 0.82 -0.95 0.00 0.00 178.83 178.77 2da6 h ILE 20 N 0.08 1.04 -0.78 2.54 2.04 -0.19 -1.25 117.51 120.99 2da6 h ILE 20 Ca 0.48 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2da6 h ILE 20 Cb 0.89 -0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2da6 h ILE 20 CO -0.75 0.20 0.40 -0.07 0.00 0.00 0.00 178.15 177.93 2da6 h LEU 21 N 1.09 1.00 -0.08 1.44 3.38 0.97 -2.09 115.31 121.02 2da6 h LEU 21 Ca 0.44 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2da6 h LEU 21 Cb 0.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2da6 h LEU 21 CO -0.19 0.83 0.00 1.88 0.09 0.00 0.00 178.44 181.06 2da6 h TYR 22 N 1.09 0.14 -0.80 1.13 0.05 -0.67 0.30 116.97 118.22 2da6 h TYR 22 Ca 0.27 -0.02 0.12 0.00 0.05 0.00 0.00 58.73 59.15 2da6 h TYR 22 Cb 0.08 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 37.72 2da6 h TYR 22 CO 0.01 0.38 0.52 1.96 -1.05 0.00 0.00 178.16 179.98 2da6 h GLN 23 N -0.14 0.62 0.03 4.88 1.08 -1.11 0.35 115.11 120.82 2da6 h GLN 23 Ca 0.02 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 2da6 h GLN 23 Cb 0.32 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2da6 h GLN 23 CO 0.00 0.41 -0.55 0.00 -0.95 0.00 0.00 178.83 177.74 2da6 h ALA 24 N 1.61 0.03 -0.33 3.87 0.00 -1.20 -3.24 119.26 120.01 2da6 h ALA 24 Ca 0.38 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2da6 h ALA 24 Cb 0.61 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2da6 h ALA 24 CO -0.15 0.29 -0.00 -0.92 0.00 0.00 0.00 179.25 178.46 2da6 h TYR 25 N -0.28 0.52 -0.66 0.00 5.03 -0.26 -1.44 116.97 119.88 2da6 h TYR 25 Ca -0.08 -0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.19 2da6 h TYR 25 Cb 1.31 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 39.40 2da6 h TYR 25 CO 0.17 0.52 0.43 0.22 -1.32 0.00 0.00 178.16 178.18 2da6 h ASP 26 N 0.48 0.76 0.02 -2.11 3.58 -0.39 -3.02 116.42 115.74 2da6 h ASP 26 Ca 0.10 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2da6 h ASP 26 Cb 0.32 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2da6 h ASP 26 CO 0.01 0.55 -0.14 0.03 -2.88 0.00 0.00 179.24 176.81 2da6 h ARG 27 N 0.89 0.05 -4.38 0.28 3.08 -1.46 -3.46 114.38 109.38 2da6 h ARG 27 Ca 0.24 -0.09 -0.44 0.00 0.07 0.00 0.00 59.98 59.76 2da6 h ARG 27 Cb -0.10 0.03 -0.32 0.00 0.08 0.00 0.00 29.97 29.66 2da6 h ARG 27 CO -0.05 1.03 -0.79 -1.14 -1.07 0.00 0.00 179.97 177.95 2da6 s GLN 28 N -2.32 1.08 0.03 0.04 2.00 -0.59 -5.04 119.66 114.87 2da6 s GLN 28 Ca -0.18 -0.26 -0.17 0.00 -2.00 0.00 0.00 55.36 52.75 2da6 s GLN 28 Cb -0.02 -0.99 -0.26 0.00 0.80 0.00 0.00 33.01 32.54 2da6 s GLN 28 CO 0.71 0.03 1.10 0.87 -0.50 0.00 0.00 175.29 177.50 2da6 h LYS 29 N 6.78 0.54 -3.59 1.67 1.79 -1.85 -3.35 116.57 118.57 2da6 h LYS 29 Ca -0.34 -0.66 -0.73 0.00 -2.18 0.00 0.00 60.65 56.74 2da6 h LYS 29 Cb 1.17 0.20 -0.32 0.00 -1.58 0.00 0.00 32.23 31.70 2da6 h LYS 29 CO 0.48 1.27 -0.13 0.54 -1.08 0.00 0.00 179.45 180.53 2da6 s ASN 30 N -7.13 5.94 0.10 0.86 2.20 -1.26 -4.99 114.94 110.66 2da6 s ASN 30 Ca -0.11 -3.04 -0.31 0.00 -0.94 0.00 0.00 52.86 48.46 2da6 s ASN 30 Cb 0.05 -1.99 -0.07 0.00 -2.00 0.00 0.00 41.25 37.24 2da6 s ASN 30 CO 0.88 -0.38 1.38 -2.16 -2.94 0.00 0.00 177.10 173.88 2da6 s PRO 31 N -0.34 4.32 0.60 3.55 0.04 -1.26 -5.03 135.00 136.88 2da6 s PRO 31 Ca 0.20 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2da6 s PRO 31 Cb -0.14 -3.30 0.07 0.00 0.04 0.00 0.00 34.50 31.17 2da6 s PRO 31 CO -0.07 -0.44 0.83 -1.12 0.04 0.00 0.00 177.00 176.24 2da6 s SER 32 N 1.21 4.96 0.21 6.66 0.01 -1.26 -4.38 113.70 121.11 2da6 s SER 32 Ca 0.64 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.55 2da6 s SER 32 Cb -0.36 -0.37 0.39 0.00 0.21 0.00 0.00 66.02 65.89 2da6 s SER 32 CO 0.30 -1.39 1.13 1.17 0.41 0.00 0.00 173.24 174.86 2da6 n LYS 33 N -2.45 -0.06 0.06 12.44 3.00 -1.26 0.10 118.16 129.99 2da6 n LYS 33 Ca 0.12 1.12 -0.13 0.00 -0.00 0.00 0.00 58.31 59.42 2da6 n LYS 33 Cb 0.60 -1.70 -0.08 0.00 0.00 0.00 0.00 35.03 33.85 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 -0.12 0.39 1.64 4.39 -1.98 -0.98 114.58 117.91 2da6 h GLU 34 Ca 0.37 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 2da6 h GLU 34 Cb 0.62 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2da6 h GLU 34 CO -0.73 0.14 -0.19 0.93 -1.16 0.00 0.00 179.01 178.00 2da6 h GLU 35 N -0.37 -0.50 -0.77 2.33 4.39 0.33 -1.60 114.58 118.40 2da6 h GLU 35 Ca -0.01 0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.90 2da6 h GLU 35 Cb 0.31 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 28.94 2da6 h GLU 35 CO 0.02 -0.33 0.01 0.00 -1.16 0.00 0.00 179.01 177.55 2da6 h ARG 36 N -0.53 0.10 -0.18 2.33 3.08 -0.16 -0.06 114.38 118.95 2da6 h ARG 36 Ca -0.05 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2da6 h ARG 36 Cb 0.40 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 2da6 h ARG 36 CO 0.09 0.07 -0.16 0.93 -1.07 0.00 0.00 179.97 179.83 2da6 h GLU 37 N 0.10 -0.16 -0.13 0.04 4.39 -1.12 0.87 114.58 118.57 2da6 h GLU 37 Ca 0.43 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.18 2da6 h GLU 37 Cb 0.76 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2da6 h GLU 37 CO -0.68 -0.11 0.64 0.00 -1.16 0.00 0.00 179.01 177.70 2da6 h ALA 38 N 0.93 1.78 0.00 3.43 0.00 0.03 1.05 119.26 126.49 2da6 h ALA 38 Ca 0.11 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 2da6 h ALA 38 Cb 0.34 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2da6 h ALA 38 CO -0.29 -0.71 -1.92 1.28 0.00 0.00 0.00 179.25 177.61 2da6 n LEU 39 N -2.88 0.49 -0.07 0.00 4.77 0.22 -2.71 117.00 116.82 2da6 n LEU 39 Ca 0.02 0.23 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2da6 n LEU 39 Cb 0.71 0.27 0.09 0.00 -2.33 0.00 0.00 43.42 42.16 2da6 n LEU 39 CO 0.11 0.36 0.69 0.58 -1.33 0.00 0.00 177.39 177.80 2da6 h VAL 40 N 0.00 1.27 0.12 4.08 2.07 0.19 -1.62 116.25 122.36 2da6 h VAL 40 Ca -0.34 -1.36 -0.31 0.00 0.82 0.00 0.00 66.70 65.50 2da6 h VAL 40 Cb 1.96 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2da6 h VAL 40 CO 0.05 0.45 -1.64 1.05 0.02 0.00 0.00 177.57 177.50 2da6 h GLU 41 N 0.64 0.25 -0.40 1.57 4.11 -1.53 -3.21 114.58 116.02 2da6 h GLU 41 Ca 0.09 -0.43 0.03 0.00 0.07 0.00 0.00 59.36 59.11 2da6 h GLU 41 Cb 0.76 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 2da6 h GLU 41 CO 0.06 1.21 0.19 1.49 0.07 0.00 0.00 179.01 182.03 2da6 h GLU 42 N -0.18 0.38 0.34 1.06 4.57 -1.57 -0.22 114.58 118.96 2da6 h GLU 42 Ca -0.35 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.79 2da6 h GLU 42 Cb 1.86 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.37 2da6 h GLU 42 CO 0.06 0.25 -0.17 0.00 -1.18 0.00 0.00 179.01 177.98 2da6 h ASN 44 N -0.51 0.27 0.46 0.00 2.35 -1.56 0.19 115.58 116.77 2da6 h ASN 44 Ca -0.05 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2da6 h ASN 44 Cb 0.36 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2da6 h ASN 44 CO 0.08 -0.02 -0.22 -0.09 -1.65 0.00 0.00 177.43 175.53 2da6 h ARG 45 N 0.20 -0.59 -0.81 0.81 2.43 -0.87 -2.97 114.38 112.57 2da6 h ARG 45 Ca 0.67 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.95 2da6 h ARG 45 Cb 2.10 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 31.72 2da6 h ARG 45 CO -0.26 -0.30 0.49 0.00 -1.51 0.00 0.00 179.97 178.39 2da6 h ALA 46 N -0.81 1.12 -0.91 2.80 0.00 0.47 -1.67 119.26 120.26 2da6 h ALA 46 Ca -0.06 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.00 2da6 h ALA 46 Cb 0.56 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 2da6 h ALA 46 CO 0.10 0.20 0.51 0.93 0.00 0.00 0.00 179.25 180.99 2da6 h GLU 47 N 0.88 0.69 -0.43 0.00 5.08 -0.74 0.10 114.58 120.16 2da6 h GLU 47 Ca 0.36 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.54 2da6 h GLU 47 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2da6 h GLU 47 CO -0.19 0.46 -0.30 0.00 -1.00 0.00 0.00 179.01 177.98 2da6 h LEU 49 N 0.79 -0.76 -0.56 0.00 3.38 -0.61 1.93 115.31 119.49 2da6 h LEU 49 Ca 0.09 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2da6 h LEU 49 Cb 0.88 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2da6 h LEU 49 CO 0.08 -0.47 0.31 0.06 0.09 0.00 0.00 178.44 178.51 2da6 h GLN 50 N -1.01 0.58 0.00 1.13 3.07 -1.11 0.73 115.11 118.50 2da6 h GLN 50 Ca -0.09 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.61 2da6 h GLN 50 Cb 0.72 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.15 2da6 h GLN 50 CO 0.15 0.38 0.00 0.54 0.09 0.00 0.00 178.83 179.99 2da6 n ARG 51 N -4.82 0.78 0.00 0.06 1.74 -0.56 -4.84 116.66 109.03 2da6 n ARG 51 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2da6 n ARG 51 Cb 0.12 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.43 2.88 3.35 -0.13 0.00 0.25 -4.99 105.19 106.98 2da6 n GLY 52 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.90 1.55 -0.07 1.61 1.01 0.64 -4.80 120.40 119.44 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 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 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 -2.74 6.46 0.00 3.32 0.15 -1.26 -3.28 113.70 116.35 2da6 s SER 54 Ca 0.69 0.54 0.15 0.00 0.70 0.00 0.00 55.95 58.02 2da6 s SER 54 Cb -0.19 -2.09 0.73 0.00 -1.71 0.00 0.00 66.02 62.75 2da6 s SER 54 CO 0.62 0.36 1.41 -0.81 1.20 0.00 0.00 173.24 176.02 2da6 n PRO 55 N 1.71 0.18 0.04 5.44 -0.04 -1.26 -2.08 135.00 139.00 2da6 n PRO 55 Ca -0.17 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2da6 n PRO 55 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.31 0.45 -1.57 3.54 2.88 -1.26 -4.15 113.62 112.20 2da6 n SER 56 Ca 0.06 0.11 -0.13 0.00 -1.33 0.00 0.00 58.87 57.59 2da6 n SER 56 Cb 0.12 1.17 0.17 0.00 -0.75 0.00 0.00 64.21 64.92 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 -2.41 2.16 -0.19 -1.46 4.76 -0.88 -4.70 118.16 115.45 2da6 n LYS 57 Ca -0.02 -3.27 0.14 0.00 -2.87 0.00 0.00 58.31 52.29 2da6 n LYS 57 Cb 0.54 -1.98 0.46 0.00 -1.84 0.00 0.00 35.03 32.22 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 1.21 2.01 -1.12 7.82 0.00 -1.72 -0.71 119.26 126.75 2da6 h ALA 58 Ca 0.36 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.59 2da6 h ALA 58 Cb 1.80 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 2da6 h ALA 58 CO 0.68 -0.21 0.97 1.12 0.00 0.00 0.00 179.25 181.82 2da6 h HIS 59 N 0.51 0.00 -0.40 0.00 2.07 -1.93 0.17 115.15 115.57 2da6 h HIS 59 Ca 0.38 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.63 2da6 h HIS 59 Cb 0.75 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 30.62 2da6 h HIS 59 CO -0.00 0.00 0.35 0.41 -3.07 0.00 0.00 177.93 175.62 2da6 n GLY 60 N -1.72 3.86 0.01 6.13 0.00 -0.27 -3.95 105.19 109.24 2da6 n GLY 60 Ca 0.24 -0.93 0.09 0.00 0.00 0.00 0.00 46.02 45.43 2da6 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2da6 n LEU 61 N 0.52 0.05 0.00 0.99 4.77 0.60 -5.06 117.00 118.88 2da6 n LEU 61 Ca 0.25 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2da6 n LEU 61 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2da6 n LEU 61 CO 0.32 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2da6 n GLY 62 N 1.43 3.64 0.17 -0.72 0.00 -1.25 -1.98 105.19 106.48 2da6 n GLY 62 Ca -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 1.61 0.02 -1.97 -2.43 113.55 110.78 2da6 h SER 63 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2da6 h SER 63 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2da6 h SER 63 CO 0.00 0.45 0.00 0.59 -1.14 0.00 0.00 176.83 176.73 2da6 n ASN 64 N -3.85 0.00 -4.76 3.07 3.02 -0.84 -4.76 115.26 107.14 2da6 n ASN 64 Ca -0.01 -0.78 -0.39 0.00 -0.03 0.00 0.00 54.58 53.37 2da6 n ASN 64 Cb 0.50 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.79 4.44 0.02 3.41 2.96 -0.92 -4.93 118.68 121.88 2da6 s LEU 65 Ca 0.24 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 2da6 s LEU 65 Cb 0.11 -3.78 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2da6 s LEU 65 CO 0.19 -0.25 0.10 -0.69 -1.32 0.00 0.00 176.35 174.38 2da6 s VAL 66 N -1.30 4.81 0.06 1.68 1.01 -1.26 -5.01 120.40 120.40 2da6 s VAL 66 Ca 0.48 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2da6 s VAL 66 Cb -0.29 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2da6 s VAL 66 CO 0.37 0.27 0.30 0.42 0.00 0.00 0.00 175.10 176.46 2da6 s THR 67 N -1.29 0.09 0.30 3.92 -4.23 -1.26 -4.93 115.64 108.24 2da6 s THR 67 Ca 0.26 -0.74 0.20 0.00 -1.18 0.00 0.00 61.69 60.23 2da6 s THR 67 Cb -0.12 -1.03 0.31 0.00 1.34 0.00 0.00 72.50 73.00 2da6 s THR 67 CO 0.18 -0.41 1.20 1.21 -0.54 0.00 0.00 174.62 176.26 2da6 n GLU 68 N 0.37 -0.04 0.11 3.99 2.13 -1.26 0.14 120.64 126.08 2da6 n GLU 68 Ca -0.18 1.02 -0.13 0.00 0.66 0.00 0.00 57.16 58.53 2da6 n GLU 68 Cb 0.60 -1.89 -0.08 0.00 0.27 0.00 0.00 31.44 30.34 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 0.89 -0.54 6.31 2.07 -1.98 -1.04 116.25 121.96 2da6 h VAL 69 Ca 0.66 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.71 2da6 h VAL 69 Cb 1.90 1.23 -0.11 0.00 -1.52 0.00 0.00 31.29 32.79 2da6 h VAL 69 CO -0.50 0.13 -0.21 0.03 0.02 0.00 0.00 177.57 177.04 2da6 h ARG 70 N -0.56 -0.08 -0.34 1.57 2.47 0.80 0.16 114.38 118.41 2da6 h ARG 70 Ca -0.03 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 2da6 h ARG 70 Cb 0.42 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 2da6 h ARG 70 CO 0.05 -0.05 -0.09 0.28 0.56 0.00 0.00 179.97 180.72 2da6 h VAL 71 N -0.08 1.23 -0.65 2.04 2.07 -1.44 -1.92 116.25 117.50 2da6 h VAL 71 Ca 0.25 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 2da6 h VAL 71 Cb 0.47 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2da6 h VAL 71 CO -0.60 0.33 0.18 0.22 0.02 0.00 0.00 177.57 177.72 2da6 h TYR 72 N 0.53 1.03 -0.14 1.57 5.03 0.58 -1.25 116.97 124.32 2da6 h TYR 72 Ca 0.10 -0.10 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 2da6 h TYR 72 Cb 0.47 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.45 2da6 h TYR 72 CO 0.02 0.84 -0.34 -0.91 -1.32 0.00 0.00 178.16 176.44 2da6 h ASN 73 N 0.96 0.54 -0.89 -2.11 2.35 -0.55 -1.09 115.58 114.79 2da6 h ASN 73 Ca 0.21 -0.58 0.01 0.00 -0.55 0.00 0.00 56.30 55.39 2da6 h ASN 73 Cb 0.31 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 2da6 h ASN 73 CO -0.00 1.02 0.59 -0.25 -1.65 0.00 0.00 177.43 177.13 2da6 h TRP 74 N 0.08 1.12 -0.12 1.19 7.01 -1.22 -2.32 115.95 121.70 2da6 h TRP 74 Ca -0.00 0.03 -0.19 0.00 2.11 0.00 0.00 58.89 60.83 2da6 h TRP 74 Cb 0.95 -0.38 -0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2da6 h TRP 74 CO 0.10 0.71 -0.71 0.74 -2.79 0.00 0.00 178.44 176.49 2da6 h PHE 75 N 1.21 0.71 -0.60 2.65 -1.00 -1.24 -2.82 116.94 115.84 2da6 h PHE 75 Ca 0.33 -0.30 0.06 0.00 2.81 0.00 0.00 57.97 60.86 2da6 h PHE 75 Cb -0.14 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.26 2da6 h PHE 75 CO -0.01 1.07 0.32 0.00 -1.61 0.00 0.00 178.31 178.08 2da6 h ALA 76 N 0.84 0.79 -0.08 2.45 0.00 -0.72 -0.64 119.26 121.91 2da6 h ALA 76 Ca -0.03 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2da6 h ALA 76 Cb 1.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2da6 h ALA 76 CO 0.13 -0.02 -0.52 -0.97 0.00 0.00 0.00 179.25 177.87 2da6 h ASN 77 N 0.59 0.24 0.98 0.00 -1.24 -1.44 0.11 115.58 114.81 2da6 h ASN 77 Ca 0.27 -0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 2da6 h ASN 77 Cb 0.19 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 2da6 h ASN 77 CO -0.18 0.72 -0.12 0.03 -1.29 0.00 0.00 177.43 176.59 2da6 h ARG 78 N 0.17 0.00 0.00 6.67 2.47 -1.05 -1.80 114.38 120.84 2da6 h ARG 78 Ca 0.00 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.54 2da6 h ARG 78 Cb 0.97 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.26 2da6 h ARG 78 CO 0.08 0.12 -2.17 0.54 0.56 0.00 0.00 179.97 179.10 2da6 n ARG 79 N -3.26 0.67 0.12 0.04 1.74 -0.34 -3.94 116.66 111.69 2da6 n ARG 79 Ca 0.00 -0.09 -0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2da6 n ARG 79 Cb 0.37 -1.53 0.02 0.00 -1.02 0.00 0.00 32.46 30.30 2da6 n ARG 79 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2da6 h LYS 80 N 0.00 0.00 0.02 5.56 2.10 -0.67 -3.00 116.57 120.59 2da6 h LYS 80 Ca -0.27 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.25 2da6 h LYS 80 Cb 1.63 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.97 2da6 h LYS 80 CO 0.02 0.64 -0.50 1.05 -2.00 0.00 0.00 179.45 178.65 2da6 h GLU 81 N 0.00 0.31 -0.21 0.07 4.11 -1.51 -1.57 114.58 115.78 2da6 h GLU 81 Ca -0.01 -0.36 -0.04 0.00 0.07 0.00 0.00 59.36 59.03 2da6 h GLU 81 Cb 1.44 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2da6 h GLU 81 CO 0.08 1.06 -0.04 1.05 0.07 0.00 0.00 179.01 181.24 2da6 h GLU 82 N -0.29 0.31 0.00 1.06 4.11 -1.68 -1.79 114.58 116.29 2da6 h GLU 82 Ca -0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2da6 h GLU 82 Cb 1.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2da6 h GLU 82 CO 0.10 0.37 -0.49 0.00 0.07 0.00 0.00 179.01 179.05 2da6 h ALA 83 N 1.67 0.69 0.22 1.06 0.00 -1.57 -3.38 119.26 117.93 2da6 h ALA 83 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2da6 h ALA 83 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2da6 h ALA 83 CO 0.01 0.00 -0.21 0.35 0.00 0.00 0.00 179.25 179.40 2da6 h PHE 84 N 0.00 -0.57 -1.24 0.00 3.04 -0.35 0.37 116.94 118.18 2da6 h PHE 84 Ca 0.00 0.00 0.36 0.00 3.98 0.00 0.00 57.97 62.31 2da6 h PHE 84 Cb 0.79 0.22 -0.05 0.00 2.56 0.00 0.00 35.95 39.47 2da6 h PHE 84 CO 0.00 -0.28 1.14 0.00 -2.02 0.00 0.00 178.31 177.15 2da6 h ARG 85 N -0.42 0.00 0.16 1.11 3.08 -1.74 0.92 114.38 117.48 2da6 h ARG 85 Ca -0.03 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.70 2da6 h ARG 85 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2da6 h ARG 85 CO -0.02 0.00 -1.61 1.96 -1.07 0.00 0.00 179.97 179.23 2da6 h GLN 86 N 0.00 0.33 -0.20 0.04 1.08 -1.49 -3.32 115.11 111.54 2da6 h GLN 86 Ca 0.59 -0.56 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2da6 h GLN 86 Cb 2.87 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 30.48 2da6 h GLN 86 CO -0.01 1.27 0.02 -0.22 -0.95 0.00 0.00 178.83 178.95 2da6 h LYS 87 N -0.07 0.09 0.00 1.46 3.64 0.50 0.42 116.57 122.62 2da6 h LYS 87 Ca -0.33 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2da6 h LYS 87 Cb 1.95 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 2da6 h LYS 87 CO 0.13 0.06 0.00 1.47 -2.27 0.00 0.00 179.45 178.84 2da6 n LEU 88 N -5.11 0.00 0.04 5.20 -0.00 -0.54 -0.93 117.00 115.67 2da6 n LEU 88 Ca -0.02 0.38 0.11 0.00 -0.00 0.00 0.00 56.01 56.47 2da6 n LEU 88 Cb 0.10 -0.38 -0.02 0.00 -0.00 0.00 0.00 43.42 43.12 2da6 n LEU 88 CO 0.28 -0.30 -0.15 0.00 -0.00 0.00 0.00 177.39 177.22 2da6 n ALA 89 N -1.38 3.04 1.33 1.47 0.00 0.11 -3.92 120.51 121.16 2da6 n ALA 89 Ca 0.02 -0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.18 2da6 n ALA 89 Cb 0.06 -0.96 0.37 0.00 0.00 0.00 0.00 19.45 18.91 2da6 n ALA 89 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2da6 n MET 90 N -2.22 1.60 -0.17 0.00 2.81 -0.10 -3.49 117.12 115.55 2da6 n MET 90 Ca 0.00 -0.91 0.06 0.00 -1.81 0.00 0.00 57.70 55.04 2da6 n MET 90 Cb 0.50 -1.35 0.14 0.00 -0.71 0.00 0.00 33.22 31.79 2da6 n MET 90 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2da6 n ASP 91 N 0.15 2.78 -4.76 7.83 8.00 -1.24 -5.02 116.55 124.28 2da6 n ASP 91 Ca 0.15 -2.58 -0.32 0.00 0.71 0.00 0.00 54.79 52.76 2da6 n ASP 91 Cb 0.27 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 40.99 2da6 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2da6 s ALA 92 N -2.01 4.03 -0.29 2.24 0.00 -1.23 -5.05 121.76 119.45 2da6 s ALA 92 Ca 0.25 -0.71 -0.37 0.00 0.00 0.00 0.00 51.96 51.13 2da6 s ALA 92 Cb 0.19 -0.04 -0.16 0.00 0.00 0.00 0.00 23.12 23.11 2da6 s ALA 92 CO 0.06 -0.07 1.18 2.48 0.00 0.00 0.00 175.76 179.41 2da6 n TYR 93 N -1.28 1.17 -3.57 0.00 0.18 -1.26 -4.90 117.16 107.49 2da6 n TYR 93 Ca -0.16 0.92 -0.06 0.00 1.88 0.00 0.00 57.90 60.48 2da6 n TYR 93 Cb 0.67 -1.79 -0.03 0.00 -0.38 0.00 0.00 39.34 37.81 2da6 n TYR 93 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2da6 s SER 94 N 1.71 -0.22 0.39 9.48 0.15 -1.26 -5.07 113.70 118.88 2da6 s SER 94 Ca 0.83 0.06 -0.14 0.00 0.70 0.00 0.00 55.95 57.40 2da6 s SER 94 Cb -1.17 0.22 -0.11 0.00 -1.71 0.00 0.00 66.02 63.24 2da6 s SER 94 CO 0.61 -0.33 -0.11 -1.54 1.20 0.00 0.00 173.24 173.08 2da6 n SER 95 N 0.05 -2.81 -0.07 5.45 3.41 -1.26 -4.92 113.62 113.48 2da6 n SER 95 Ca -0.03 0.49 -0.07 0.00 -0.26 0.00 0.00 58.87 58.99 2da6 n SER 95 Cb 0.59 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 2da6 n SER 95 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2da6 h ASN 96 N -0.02 0.00 -1.89 4.04 2.35 -2.01 -3.47 115.58 114.57 2da6 h ASN 96 Ca -0.31 -0.35 -0.52 0.00 -0.55 0.00 0.00 56.30 54.57 2da6 h ASN 96 Cb 1.09 0.00 0.24 0.00 0.05 0.00 0.00 38.32 39.70 2da6 h ASN 96 CO 0.31 0.80 -1.90 -1.54 -1.65 0.00 0.00 177.43 173.45 2da6 n SER 97 N -4.66 -4.20 -0.59 5.81 3.41 -1.26 -4.66 113.62 107.48 2da6 n SER 97 Ca -0.08 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2da6 n SER 97 Cb 0.26 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2da6 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da6 n GLY 98 N 3.09 0.44 2.61 5.00 0.00 -1.26 -5.10 105.19 109.97 2da6 n GLY 98 Ca -0.01 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 2da6 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2da6 n PRO 99 N -0.41 -2.62 -3.64 1.61 -0.04 -1.26 -5.10 135.00 123.54 2da6 n PRO 99 Ca 0.00 -1.30 -0.04 0.00 -0.04 0.00 0.00 63.50 62.12 2da6 n PRO 99 Cb 0.20 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2da6 n PRO 99 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2da6 s SER 100 N -3.70 -1.04 -0.21 3.54 1.04 -1.26 -5.15 113.70 106.93 2da6 s SER 100 Ca 0.53 1.54 -0.06 0.00 0.48 0.00 0.00 55.95 58.44 2da6 s SER 100 Cb -0.05 1.83 0.10 0.00 0.10 0.00 0.00 66.02 68.00 2da6 s SER 100 CO 0.41 -0.23 0.42 -0.55 0.98 0.00 0.00 173.24 174.26 2da6 s SER 101 N 2.25 -0.21 0.00 7.02 0.15 -1.26 -5.35 113.70 116.30 2da6 s SER 101 Ca -0.08 0.89 0.28 0.00 0.70 0.00 0.00 55.95 57.74 2da6 s SER 101 Cb -0.08 1.33 1.10 0.00 -1.71 0.00 0.00 66.02 66.66 2da6 s SER 101 CO -0.19 -0.24 1.77 0.61 1.20 0.00 0.00 173.24 176.39