#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da6 h SER 2 N 0.00 -0.07 -3.74 1.61 0.02 -1.99 -3.29 113.55 106.09 2da6 h SER 2 Ca 0.00 -0.58 -0.68 0.00 -0.84 0.00 0.00 61.79 59.69 2da6 h SER 2 Cb 0.00 0.02 -0.34 0.00 0.14 0.00 0.00 62.40 62.22 2da6 h SER 2 CO 0.00 0.62 -0.69 -0.44 -1.14 0.00 0.00 176.83 175.18 2da6 s SER 3 N -5.79 4.90 0.00 3.07 0.01 -1.26 -4.38 113.70 110.25 2da6 s SER 3 Ca -0.15 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.70 2da6 s SER 3 Cb -0.01 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2da6 s SER 3 CO 0.55 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2da6 n GLY 4 N 4.59 3.82 0.09 3.44 0.00 -1.26 -4.94 105.19 110.92 2da6 n GLY 4 Ca -0.11 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2da6 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2da6 h SER 5 N 0.00 0.00 -1.88 1.61 0.02 -1.83 -3.41 113.55 108.05 2da6 h SER 5 Ca 0.00 -0.49 -0.72 0.00 -0.84 0.00 0.00 61.79 59.74 2da6 h SER 5 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 2da6 h SER 5 CO 0.00 1.20 1.49 -0.44 -1.14 0.00 0.00 176.83 177.94 2da6 s SER 6 N -6.45 6.97 0.00 3.07 0.01 -1.24 -4.80 113.70 111.25 2da6 s SER 6 Ca -0.22 -2.75 0.00 0.00 1.31 0.00 0.00 55.95 54.29 2da6 s SER 6 Cb 0.03 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2da6 s SER 6 CO 0.51 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2da6 n GLY 7 N 4.59 1.31 3.24 3.44 0.00 -1.26 -4.85 105.19 111.66 2da6 n GLY 7 Ca 0.38 0.50 -0.59 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.05 1.61 5.12 -1.26 -4.84 116.66 117.34 2da6 n ARG 8 Ca 0.00 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.72 2da6 n ARG 8 Cb 0.00 -1.30 -0.13 0.00 -1.16 0.00 0.00 32.46 29.87 2da6 n ARG 8 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 2da6 h ASN 9 N 4.27 0.63 -3.55 0.55 -0.73 -1.94 -3.45 115.58 111.36 2da6 h ASN 9 Ca -0.38 -0.85 -0.52 0.00 1.87 0.00 0.00 56.30 56.42 2da6 h ASN 9 Cb 1.19 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 39.55 2da6 h ASN 9 CO 0.84 1.42 -0.03 0.00 -0.37 0.00 0.00 177.43 179.28 2da6 s ARG 10 N -2.86 3.88 0.68 6.67 3.03 -1.26 -5.08 118.95 124.01 2da6 s ARG 10 Ca -0.12 0.43 -0.09 0.00 2.03 0.00 0.00 55.73 57.98 2da6 s ARG 10 Cb 0.03 -2.57 0.03 0.00 -1.03 0.00 0.00 34.95 31.41 2da6 s ARG 10 CO 0.86 0.26 1.04 -0.59 -1.13 0.00 0.00 175.30 175.74 2da6 s PHE 11 N -1.87 3.19 -0.24 5.89 -0.71 -1.26 -5.06 117.98 117.92 2da6 s PHE 11 Ca 0.50 0.79 -0.07 0.00 -1.04 0.00 0.00 56.93 57.12 2da6 s PHE 11 Cb -0.11 -3.05 -0.03 0.00 -1.21 0.00 0.00 43.02 38.63 2da6 s PHE 11 CO 0.20 -1.19 0.05 0.21 -1.34 0.00 0.00 175.22 173.14 2da6 s LYS 12 N -5.26 3.62 0.94 1.99 2.20 -1.26 -5.09 119.74 116.88 2da6 s LYS 12 Ca 0.58 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 55.58 2da6 s LYS 12 Cb -0.11 -3.25 0.14 0.00 -1.51 0.00 0.00 37.83 33.11 2da6 s LYS 12 CO 0.48 -0.15 1.04 0.91 -0.36 0.00 0.00 175.35 177.27 2da6 n TRP 13 N 4.77 0.41 -2.83 4.03 7.02 -1.26 -5.00 117.44 124.57 2da6 n TRP 13 Ca -0.17 0.34 -0.10 0.00 -1.02 0.00 0.00 57.50 56.56 2da6 n TRP 13 Cb 0.51 -1.95 0.04 0.00 -2.42 0.00 0.00 31.31 27.49 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 0.49 1.56 0.10 6.99 0.00 -1.26 -4.93 105.19 108.14 2da6 n GLY 14 Ca 0.11 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 0.22 0.04 1.61 0.13 -2.00 -2.96 132.00 129.03 2da6 h PRO 15 Ca -0.14 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2da6 h PRO 15 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2da6 h PRO 15 CO 0.18 0.64 -0.02 0.00 -0.23 0.00 0.00 178.00 178.58 2da6 h ALA 16 N 0.57 -0.06 -0.67 -0.56 0.00 -1.96 -3.30 119.26 113.28 2da6 h ALA 16 Ca 0.01 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2da6 h ALA 16 Cb 0.60 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2da6 h ALA 16 CO 0.02 -0.11 -0.55 0.77 0.00 0.00 0.00 179.25 179.39 2da6 h SER 17 N -0.91 -1.94 -0.62 0.00 0.02 -1.85 -1.56 113.55 106.68 2da6 h SER 17 Ca -0.01 0.27 0.06 0.00 -0.84 0.00 0.00 61.79 61.28 2da6 h SER 17 Cb 0.65 0.83 -0.08 0.00 0.14 0.00 0.00 62.40 63.93 2da6 h SER 17 CO 0.01 -0.31 -0.46 1.56 -1.14 0.00 0.00 176.83 176.50 2da6 h GLN 18 N -0.20 -0.11 -0.88 3.45 4.20 -1.67 0.21 115.11 120.11 2da6 h GLN 18 Ca 0.11 0.01 0.23 0.00 0.06 0.00 0.00 58.65 59.06 2da6 h GLN 18 Cb 0.48 0.02 -0.16 0.00 0.30 0.00 0.00 27.48 28.13 2da6 h GLN 18 CO -0.73 -0.07 0.08 1.96 -0.67 0.00 0.00 178.83 179.40 2da6 h GLN 19 N -0.11 0.09 -0.85 1.46 4.20 -1.39 0.55 115.11 119.06 2da6 h GLN 19 Ca 0.10 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.89 2da6 h GLN 19 Cb 0.38 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.06 2da6 h GLN 19 CO -0.65 0.06 0.51 0.82 -0.67 0.00 0.00 178.83 178.90 2da6 h ILE 20 N 0.09 0.96 -0.84 2.54 2.04 0.10 -1.14 117.51 121.26 2da6 h ILE 20 Ca 0.53 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 66.09 2da6 h ILE 20 Cb 1.04 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2da6 h ILE 20 CO -0.77 0.16 0.51 -0.07 0.00 0.00 0.00 178.15 177.98 2da6 h LEU 21 N 0.87 1.01 -0.12 1.44 3.38 0.86 -2.37 115.31 120.37 2da6 h LEU 21 Ca 0.40 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 2da6 h LEU 21 Cb 0.30 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2da6 h LEU 21 CO -0.22 0.77 0.02 1.88 0.09 0.00 0.00 178.44 180.98 2da6 h TYR 22 N 1.15 0.21 -0.67 1.13 0.05 -0.70 -0.54 116.97 117.60 2da6 h TYR 22 Ca 0.30 -0.03 0.14 0.00 0.05 0.00 0.00 58.73 59.20 2da6 h TYR 22 Cb -0.05 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.59 2da6 h TYR 22 CO -0.00 0.38 0.46 1.96 -1.05 0.00 0.00 178.16 179.90 2da6 h GLN 23 N -0.03 0.28 0.03 4.88 1.08 -1.02 0.48 115.11 120.81 2da6 h GLN 23 Ca 0.04 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2da6 h GLN 23 Cb 0.28 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2da6 h GLN 23 CO 0.00 0.19 -0.01 0.00 -0.95 0.00 0.00 178.83 178.05 2da6 h ALA 24 N 1.68 -0.04 -0.69 3.87 0.00 -1.13 -3.29 119.26 119.66 2da6 h ALA 24 Ca 0.32 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2da6 h ALA 24 Cb 0.87 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2da6 h ALA 24 CO -0.08 -0.06 0.47 -0.92 0.00 0.00 0.00 179.25 178.65 2da6 h TYR 25 N -0.95 0.40 -0.58 0.00 5.03 -0.66 0.64 116.97 120.85 2da6 h TYR 25 Ca -0.00 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2da6 h TYR 25 Cb 0.64 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.77 2da6 h TYR 25 CO 0.17 0.16 0.33 0.22 -1.32 0.00 0.00 178.16 177.71 2da6 h ASP 26 N 0.35 0.69 0.01 -2.11 1.82 -1.00 -3.05 116.42 113.13 2da6 h ASP 26 Ca 0.33 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.91 2da6 h ASP 26 Cb 0.82 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.66 2da6 h ASP 26 CO -0.09 0.55 -0.09 0.03 -1.61 0.00 0.00 179.24 178.03 2da6 h ARG 27 N 0.79 0.04 -4.51 0.28 3.08 -0.98 -3.46 114.38 109.62 2da6 h ARG 27 Ca 0.21 -0.06 -0.39 0.00 0.07 0.00 0.00 59.98 59.81 2da6 h ARG 27 Cb -0.00 0.02 -0.30 0.00 0.08 0.00 0.00 29.97 29.77 2da6 h ARG 27 CO -0.04 0.99 -0.77 -1.14 -1.07 0.00 0.00 179.97 177.94 2da6 s GLN 28 N -2.40 0.72 0.06 0.04 2.00 -0.60 -5.04 119.66 114.43 2da6 s GLN 28 Ca -0.18 -0.26 -0.14 0.00 -2.00 0.00 0.00 55.36 52.78 2da6 s GLN 28 Cb -0.02 -0.69 -0.27 0.00 0.80 0.00 0.00 33.01 32.82 2da6 s GLN 28 CO 0.70 0.12 1.13 0.87 -0.50 0.00 0.00 175.29 177.62 2da6 h LYS 29 N 6.21 0.62 -3.52 1.67 1.79 -1.86 -3.35 116.57 118.14 2da6 h LYS 29 Ca -0.32 -0.80 -0.69 0.00 -2.18 0.00 0.00 60.65 56.66 2da6 h LYS 29 Cb 1.18 0.26 -0.36 0.00 -1.58 0.00 0.00 32.23 31.73 2da6 h LYS 29 CO 0.49 1.36 -0.35 -0.80 -1.08 0.00 0.00 179.45 179.07 2da6 s ASN 30 N -7.38 5.26 0.14 0.86 0.02 -1.26 -5.00 114.94 107.58 2da6 s ASN 30 Ca -0.09 -2.98 -0.31 0.00 -1.02 0.00 0.00 52.86 48.46 2da6 s ASN 30 Cb 0.06 -1.85 -0.08 0.00 0.02 0.00 0.00 41.25 39.40 2da6 s ASN 30 CO 0.93 -0.34 1.34 -2.16 0.02 0.00 0.00 177.10 176.89 2da6 s PRO 31 N -0.25 4.36 0.58 -0.60 0.04 -1.26 -5.04 135.00 132.83 2da6 s PRO 31 Ca 0.18 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2da6 s PRO 31 Cb -0.19 -3.24 0.07 0.00 0.04 0.00 0.00 34.50 31.18 2da6 s PRO 31 CO -0.04 -0.34 0.80 -1.12 0.04 0.00 0.00 177.00 176.34 2da6 s SER 32 N 0.79 5.04 0.32 6.66 0.01 -1.26 -4.50 113.70 120.75 2da6 s SER 32 Ca 0.61 -0.38 0.19 0.00 1.31 0.00 0.00 55.95 57.68 2da6 s SER 32 Cb -0.36 -0.32 1.13 0.00 0.21 0.00 0.00 66.02 66.68 2da6 s SER 32 CO 0.33 -1.32 1.29 1.17 0.41 0.00 0.00 173.24 175.12 2da6 n LYS 33 N -2.37 -0.04 0.18 12.44 4.81 -1.26 0.17 118.16 132.08 2da6 n LYS 33 Ca 0.12 1.10 -0.10 0.00 -0.87 0.00 0.00 58.31 58.56 2da6 n LYS 33 Cb 0.60 -2.03 -0.05 0.00 0.02 0.00 0.00 35.03 33.57 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 -0.49 0.45 1.64 3.07 -1.98 -1.89 114.58 115.37 2da6 h GLU 34 Ca 0.70 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.58 2da6 h GLU 34 Cb 1.95 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.95 2da6 h GLU 34 CO -0.57 -0.24 -0.47 0.93 -1.40 0.00 0.00 179.01 177.25 2da6 h GLU 35 N -1.07 -0.89 -0.37 2.33 4.39 -0.61 -1.25 114.58 117.11 2da6 h GLU 35 Ca -0.05 0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.79 2da6 h GLU 35 Cb 0.48 0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 29.25 2da6 h GLU 35 CO 0.09 -0.60 -0.23 0.00 -1.16 0.00 0.00 179.01 177.12 2da6 h ARG 36 N -0.93 -0.16 -0.58 2.33 3.08 -0.75 -1.37 114.38 116.00 2da6 h ARG 36 Ca -0.06 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.12 2da6 h ARG 36 Cb 0.81 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.79 2da6 h ARG 36 CO -0.07 -0.11 -0.07 0.93 -1.07 0.00 0.00 179.97 179.58 2da6 h GLU 37 N -0.17 0.05 -0.24 0.04 4.39 -1.12 0.55 114.58 118.08 2da6 h GLU 37 Ca 0.18 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.95 2da6 h GLU 37 Cb 0.45 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2da6 h GLU 37 CO -0.47 0.04 0.46 0.00 -1.16 0.00 0.00 179.01 177.87 2da6 h ALA 38 N 1.56 1.81 0.00 3.43 0.00 -0.06 0.52 119.26 126.51 2da6 h ALA 38 Ca 0.29 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2da6 h ALA 38 Cb 0.46 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2da6 h ALA 38 CO -0.55 -0.58 -1.66 1.28 0.00 0.00 0.00 179.25 177.73 2da6 n LEU 39 N -3.28 0.53 -0.09 0.00 4.77 0.18 -2.84 117.00 116.27 2da6 n LEU 39 Ca 0.04 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2da6 n LEU 39 Cb 0.58 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 2da6 n LEU 39 CO 0.20 0.15 0.47 0.58 -1.33 0.00 0.00 177.39 177.45 2da6 h VAL 40 N 0.00 1.28 0.10 4.08 2.07 0.13 -1.92 116.25 121.99 2da6 h VAL 40 Ca -0.18 -1.66 -0.20 0.00 0.82 0.00 0.00 66.70 65.47 2da6 h VAL 40 Cb 1.53 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2da6 h VAL 40 CO 0.03 0.54 -1.00 1.05 0.02 0.00 0.00 177.57 178.21 2da6 h GLU 41 N 0.63 0.21 -0.36 1.57 4.11 -1.51 -3.14 114.58 116.08 2da6 h GLU 41 Ca 0.02 -0.36 0.04 0.00 0.07 0.00 0.00 59.36 59.13 2da6 h GLU 41 Cb 1.08 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2da6 h GLU 41 CO 0.11 1.17 0.13 1.49 0.07 0.00 0.00 179.01 181.98 2da6 h GLU 42 N -0.48 0.27 0.20 1.06 4.57 -1.63 -0.82 114.58 117.75 2da6 h GLU 42 Ca -0.21 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2da6 h GLU 42 Cb 1.58 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2da6 h GLU 42 CO 0.06 0.18 -0.10 0.00 -1.18 0.00 0.00 179.01 177.98 2da6 h ASN 44 N -0.27 0.29 0.63 0.00 2.35 -1.55 0.15 115.58 117.19 2da6 h ASN 44 Ca -0.03 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2da6 h ASN 44 Cb 0.21 0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.68 2da6 h ASN 44 CO 0.05 -0.11 -0.30 -0.09 -1.65 0.00 0.00 177.43 175.32 2da6 h ARG 45 N 0.16 -0.82 -0.69 0.81 2.43 -0.91 -2.79 114.38 112.57 2da6 h ARG 45 Ca 0.76 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 60.09 2da6 h ARG 45 Cb 2.30 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 31.96 2da6 h ARG 45 CO -0.38 -0.55 0.32 0.00 -1.51 0.00 0.00 179.97 177.85 2da6 h ALA 46 N -1.28 0.95 -0.71 2.80 0.00 0.62 -1.41 119.26 120.23 2da6 h ALA 46 Ca -0.09 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2da6 h ALA 46 Cb 0.65 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2da6 h ALA 46 CO 0.14 -0.11 0.26 0.93 0.00 0.00 0.00 179.25 180.47 2da6 h GLU 47 N 0.53 0.39 -0.66 0.00 5.08 -0.82 0.18 114.58 119.28 2da6 h GLU 47 Ca 0.35 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2da6 h GLU 47 Cb 0.42 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2da6 h GLU 47 CO -0.30 0.26 0.21 0.00 -1.00 0.00 0.00 179.01 178.18 2da6 h LEU 49 N 0.95 -0.73 -0.78 0.00 3.38 -0.58 1.94 115.31 119.48 2da6 h LEU 49 Ca 0.21 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2da6 h LEU 49 Cb 0.29 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2da6 h LEU 49 CO -0.01 -0.47 0.44 0.06 0.09 0.00 0.00 178.44 178.56 2da6 h GLN 50 N -0.95 0.75 -0.00 1.13 3.07 -1.02 0.24 115.11 118.33 2da6 h GLN 50 Ca -0.09 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.61 2da6 h GLN 50 Cb 0.69 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2da6 h GLN 50 CO 0.15 0.50 0.00 0.54 0.09 0.00 0.00 178.83 180.10 2da6 n ARG 51 N -4.75 1.01 0.00 0.06 1.74 -0.41 -4.86 116.66 109.45 2da6 n ARG 51 Ca 0.12 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2da6 n ARG 51 Cb 0.23 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.70 2.86 3.34 -0.13 0.00 0.83 -4.99 105.19 107.81 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 -0.62 0.00 0.00 0.00 173.32 172.70 2da6 n VAL 53 N -1.29 0.00 -3.84 1.61 0.31 0.64 -4.79 118.33 110.98 2da6 n VAL 53 Ca 0.00 -0.27 -0.37 0.00 -0.01 0.00 0.00 64.34 63.69 2da6 n VAL 53 Cb 0.00 -0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.69 6.44 0.00 4.52 0.15 -1.26 -3.24 113.70 117.62 2da6 s SER 54 Ca 0.68 0.51 0.15 0.00 0.70 0.00 0.00 55.95 57.99 2da6 s SER 54 Cb -0.19 -2.08 0.82 0.00 -1.71 0.00 0.00 66.02 62.85 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 0.32 -0.00 5.44 -0.04 -1.26 -1.95 135.00 139.30 2da6 n PRO 55 Ca -0.18 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.47 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 0.48 -1.66 3.54 7.64 -1.26 -4.30 113.62 116.89 2da6 n SER 56 Ca 0.09 -0.47 -0.16 0.00 1.01 0.00 0.00 58.87 59.33 2da6 n SER 56 Cb 0.09 1.51 0.13 0.00 -1.01 0.00 0.00 64.21 64.93 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 -1.90 2.49 0.08 1.43 4.76 -0.82 -4.70 118.16 119.50 2da6 n LYS 57 Ca -0.00 -3.48 0.08 0.00 -2.87 0.00 0.00 58.31 52.04 2da6 n LYS 57 Cb 0.46 -2.04 0.54 0.00 -1.84 0.00 0.00 35.03 32.14 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 1.51 1.93 -0.91 7.82 0.00 -1.75 -1.93 119.26 125.93 2da6 h ALA 58 Ca 0.35 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.51 2da6 h ALA 58 Cb 1.52 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 2da6 h ALA 58 CO 0.74 0.03 0.94 1.12 0.00 0.00 0.00 179.25 182.07 2da6 h HIS 59 N 0.28 0.00 -0.21 0.00 2.07 -1.93 0.82 115.15 116.18 2da6 h HIS 59 Ca 0.13 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.49 2da6 h HIS 59 Cb 0.15 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 2da6 h HIS 59 CO -0.00 0.00 -0.52 0.78 -3.07 0.00 0.00 177.93 175.12 2da6 h GLY 60 N 0.00 0.65 -1.05 6.13 0.00 -1.75 -3.19 103.07 103.86 2da6 h GLY 60 Ca 0.43 -0.73 0.38 0.00 0.00 0.00 0.00 47.33 47.41 2da6 h GLY 60 CO -0.00 0.66 0.65 1.04 0.00 0.00 0.00 176.54 178.89 2da6 n LEU 61 N -3.98 0.19 0.00 3.11 4.77 0.28 -4.66 117.00 116.72 2da6 n LEU 61 Ca -0.03 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2da6 n LEU 61 Cb 0.59 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2da6 n LEU 61 CO 0.47 -1.27 0.00 0.61 -1.33 0.00 0.00 177.39 175.87 2da6 n GLY 62 N -1.37 1.12 0.28 -0.72 0.00 -1.21 -0.15 105.19 103.14 2da6 n GLY 62 Ca 0.32 0.57 0.15 0.00 0.00 0.00 0.00 46.02 47.06 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 -0.32 1.61 0.87 -1.94 0.00 113.55 113.77 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 0.06 0.00 -3.20 -0.53 0.00 0.00 176.83 173.16 2da6 n ASN 64 N -3.67 2.99 -4.74 6.23 5.15 0.79 -4.67 115.26 117.33 2da6 n ASN 64 Ca -0.02 -1.93 -0.41 0.00 -0.60 0.00 0.00 54.58 51.62 2da6 n ASN 64 Cb 0.16 -0.20 -0.04 0.00 -0.53 0.00 0.00 39.78 39.17 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 -1.53 4.51 0.20 1.20 2.96 -0.02 -4.92 118.68 121.08 2da6 s LEU 65 Ca 0.37 2.16 -0.07 0.00 -0.22 0.00 0.00 54.13 56.36 2da6 s LEU 65 Cb 0.21 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 2da6 s LEU 65 CO 0.30 -0.20 0.49 -0.69 -1.32 0.00 0.00 176.35 174.92 2da6 s VAL 66 N -0.53 5.03 0.05 1.68 1.01 -1.26 -4.93 120.40 121.46 2da6 s VAL 66 Ca 0.48 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.55 2da6 s VAL 66 Cb -0.30 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2da6 s VAL 66 CO 0.37 -0.06 0.40 0.42 0.00 0.00 0.00 175.10 176.23 2da6 s THR 67 N -1.79 0.06 0.26 3.92 -4.23 -1.26 -4.96 115.64 107.65 2da6 s THR 67 Ca 0.45 -0.50 0.12 0.00 -1.18 0.00 0.00 61.69 60.58 2da6 s THR 67 Cb -0.11 -0.98 0.27 0.00 1.34 0.00 0.00 72.50 73.02 2da6 s THR 67 CO 0.23 -0.27 1.17 1.21 -0.54 0.00 0.00 174.62 176.42 2da6 n GLU 68 N 0.42 -0.05 0.31 3.99 2.13 -1.26 0.74 120.64 126.91 2da6 n GLU 68 Ca -0.18 1.05 -0.16 0.00 0.66 0.00 0.00 57.16 58.53 2da6 n GLU 68 Cb 0.60 -1.82 -0.08 0.00 0.27 0.00 0.00 31.44 30.41 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 0.35 -0.99 6.31 2.07 -1.98 -1.31 116.25 120.69 2da6 h VAL 69 Ca 0.59 -0.27 0.18 0.00 0.82 0.00 0.00 66.70 68.02 2da6 h VAL 69 Cb 1.48 0.44 -0.18 0.00 -1.52 0.00 0.00 31.29 31.52 2da6 h VAL 69 CO -0.60 0.03 -0.31 0.03 0.02 0.00 0.00 177.57 176.74 2da6 h ARG 70 N -0.97 -0.00 -0.45 1.57 2.47 -0.07 0.52 114.38 117.45 2da6 h ARG 70 Ca -0.08 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.58 2da6 h ARG 70 Cb 0.65 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2da6 h ARG 70 CO 0.13 -0.00 0.04 0.28 0.56 0.00 0.00 179.97 180.98 2da6 h VAL 71 N -0.00 1.25 -0.83 2.04 2.07 -1.45 -2.02 116.25 117.32 2da6 h VAL 71 Ca 0.42 -0.97 0.09 0.00 0.82 0.00 0.00 66.70 67.06 2da6 h VAL 71 Cb 0.67 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 2da6 h VAL 71 CO -1.01 0.34 0.48 0.22 0.02 0.00 0.00 177.57 177.62 2da6 h TYR 72 N 0.63 0.86 -0.15 1.57 5.03 0.11 0.67 116.97 125.68 2da6 h TYR 72 Ca 0.13 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.43 2da6 h TYR 72 Cb 0.44 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.45 2da6 h TYR 72 CO 0.03 0.36 -0.09 -0.91 -1.32 0.00 0.00 178.16 176.23 2da6 h ASN 73 N 0.80 0.35 -0.84 -2.11 2.35 -0.62 -0.84 115.58 114.67 2da6 h ASN 73 Ca 0.40 -0.43 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2da6 h ASN 73 Cb 0.36 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 2da6 h ASN 73 CO -0.24 0.70 0.53 -0.25 -1.65 0.00 0.00 177.43 176.52 2da6 h TRP 74 N -0.00 1.00 -0.12 1.19 7.01 -0.79 -1.50 115.95 122.73 2da6 h TRP 74 Ca 0.03 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.91 2da6 h TRP 74 Cb 0.58 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2da6 h TRP 74 CO 0.07 0.56 -0.58 0.74 -2.79 0.00 0.00 178.44 176.43 2da6 h PHE 75 N 1.02 0.49 -0.77 2.65 -1.00 -0.85 -2.73 116.94 115.75 2da6 h PHE 75 Ca 0.34 -0.18 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 2da6 h PHE 75 Cb 0.05 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.49 2da6 h PHE 75 CO -0.03 0.87 0.32 0.00 -1.61 0.00 0.00 178.31 177.87 2da6 h ALA 76 N 1.09 1.01 0.00 2.45 0.00 -0.38 -2.38 119.26 121.05 2da6 h ALA 76 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2da6 h ALA 76 Cb 1.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2da6 h ALA 76 CO 0.10 0.62 -0.55 -0.97 0.00 0.00 0.00 179.25 178.45 2da6 h ASN 77 N 1.12 0.00 0.80 0.00 -1.24 -1.25 -0.38 115.58 114.63 2da6 h ASN 77 Ca 0.26 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.21 2da6 h ASN 77 Cb 0.20 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 2da6 h ASN 77 CO -0.02 0.55 -0.28 0.03 -1.29 0.00 0.00 177.43 176.42 2da6 h ARG 78 N 0.00 0.00 0.01 6.67 2.47 -1.12 -2.14 114.38 120.26 2da6 h ARG 78 Ca -0.01 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.38 2da6 h ARG 78 Cb 1.01 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.27 2da6 h ARG 78 CO 0.07 0.28 -2.06 0.54 0.56 0.00 0.00 179.97 179.36 2da6 n ARG 79 N -3.51 0.66 0.18 0.04 1.74 -0.94 -3.66 116.66 111.18 2da6 n ARG 79 Ca -0.00 0.15 0.05 0.00 -0.77 0.00 0.00 57.85 57.27 2da6 n ARG 79 Cb 0.44 -1.65 0.32 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.06 5.56 2.10 -1.00 -2.29 116.57 120.99 2da6 h LYS 80 Ca -0.42 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.13 2da6 h LYS 80 Cb 2.12 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.46 2da6 h LYS 80 CO 0.05 0.41 -0.42 1.05 -2.00 0.00 0.00 179.45 178.54 2da6 h GLU 81 N 0.00 0.18 -0.31 0.07 4.11 -1.55 -1.45 114.58 115.63 2da6 h GLU 81 Ca -0.00 -0.27 -0.04 0.00 0.07 0.00 0.00 59.36 59.12 2da6 h GLU 81 Cb 0.91 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2da6 h GLU 81 CO 0.05 1.08 0.04 1.05 0.07 0.00 0.00 179.01 181.30 2da6 h GLU 82 N -0.58 0.46 0.00 1.06 4.11 -1.62 -1.91 114.58 116.10 2da6 h GLU 82 Ca -0.07 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2da6 h GLU 82 Cb 1.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2da6 h GLU 82 CO 0.08 0.47 -0.52 0.00 0.07 0.00 0.00 179.01 179.10 2da6 h ALA 83 N 1.59 0.67 0.26 1.06 0.00 -1.50 -3.38 119.26 117.96 2da6 h ALA 83 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2da6 h ALA 83 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2da6 h ALA 83 CO 0.00 0.00 -0.25 0.35 0.00 0.00 0.00 179.25 179.35 2da6 h PHE 84 N 0.00 -0.70 -1.02 0.00 3.04 -0.40 0.44 116.94 118.30 2da6 h PHE 84 Ca 0.00 0.00 0.29 0.00 3.98 0.00 0.00 57.97 62.25 2da6 h PHE 84 Cb 0.78 0.27 -0.04 0.00 2.56 0.00 0.00 35.95 39.53 2da6 h PHE 84 CO 0.00 -0.34 1.17 0.00 -2.02 0.00 0.00 178.31 177.12 2da6 h ARG 85 N -0.52 0.00 0.09 1.11 3.08 -1.74 1.34 114.38 117.74 2da6 h ARG 85 Ca -0.03 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.66 2da6 h ARG 85 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2da6 h ARG 85 CO -0.03 0.00 -2.04 1.04 -1.07 0.00 0.00 179.97 177.88 2da6 n GLN 86 N -3.31 0.73 -0.06 0.04 6.02 -0.51 -4.10 117.38 116.19 2da6 n GLN 86 Ca 0.23 0.24 -0.10 0.00 -0.01 0.00 0.00 57.00 57.36 2da6 n GLN 86 Cb 1.48 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 31.01 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 0.05 0.32 0.00 -1.09 3.11 0.63 -1.17 116.57 118.42 2da6 h LYS 87 Ca -0.43 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2da6 h LYS 87 Cb 2.02 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 33.19 2da6 h LYS 87 CO 0.06 0.31 0.00 1.47 -2.81 0.00 0.00 179.45 178.48 2da6 n LEU 88 N -4.86 0.00 -0.09 5.20 -0.00 -0.17 -1.42 117.00 115.66 2da6 n LEU 88 Ca -0.03 0.46 -0.13 0.00 -0.00 0.00 0.00 56.01 56.31 2da6 n LEU 88 Cb 0.08 -0.46 -0.15 0.00 -0.00 0.00 0.00 43.42 42.90 2da6 n LEU 88 CO 0.35 -0.41 -1.11 0.00 -0.00 0.00 0.00 177.39 176.21 2da6 n ALA 89 N -1.46 1.44 -0.04 1.47 0.00 -0.53 -4.44 120.51 116.96 2da6 n ALA 89 Ca 0.01 -1.16 -0.16 0.00 0.00 0.00 0.00 53.44 52.13 2da6 n ALA 89 Cb 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 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 0.69 -0.91 0.00 2.86 -0.34 -3.24 114.93 114.00 2da6 h MET 90 Ca -0.52 -0.52 0.30 0.00 -2.06 0.00 0.00 59.70 56.91 2da6 h MET 90 Cb 2.11 0.09 -0.17 0.00 0.06 0.00 0.00 31.60 33.70 2da6 h MET 90 CO 0.01 1.14 0.21 -3.47 1.06 0.00 0.00 176.91 175.85 2da6 n ASP 91 N -4.11 0.06 -4.41 1.22 -0.08 -0.79 -4.16 116.55 104.29 2da6 n ASP 91 Ca -0.07 1.53 -0.32 0.00 -1.51 0.00 0.00 54.79 54.42 2da6 n ASP 91 Cb 0.64 -0.63 -0.14 0.00 2.34 0.00 0.00 41.12 43.33 2da6 n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2da6 s ALA 92 N -5.68 2.52 0.21 -1.67 0.00 -1.22 -5.09 121.76 110.82 2da6 s ALA 92 Ca -0.10 -0.99 -0.32 0.00 0.00 0.00 0.00 51.96 50.54 2da6 s ALA 92 Cb 0.28 -0.90 -0.13 0.00 0.00 0.00 0.00 23.12 22.37 2da6 s ALA 92 CO 0.71 0.49 1.57 0.66 0.00 0.00 0.00 175.76 179.19 2da6 n TYR 93 N 2.60 2.46 -1.85 0.00 4.02 -1.26 -4.88 117.16 118.26 2da6 n TYR 93 Ca -0.17 0.25 -0.30 0.00 -0.01 0.00 0.00 57.90 57.68 2da6 n TYR 93 Cb 0.52 -2.56 0.16 0.00 -0.02 0.00 0.00 39.34 37.44 2da6 n TYR 93 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2da6 s SER 94 N 0.74 3.43 -0.74 7.72 0.15 -1.26 -4.91 113.70 118.83 2da6 s SER 94 Ca 0.73 0.48 -0.26 0.00 0.70 0.00 0.00 55.95 57.60 2da6 s SER 94 Cb -0.60 -0.70 -0.06 0.00 -1.71 0.00 0.00 66.02 62.95 2da6 s SER 94 CO 0.41 -2.56 2.05 -0.94 1.20 0.00 0.00 173.24 173.41 2da6 s SER 95 N -4.69 4.90 0.23 5.45 1.04 -1.26 -4.86 113.70 114.51 2da6 s SER 95 Ca 0.70 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.89 2da6 s SER 95 Cb -0.07 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.55 2da6 s SER 95 CO 0.52 -2.82 0.77 0.54 0.98 0.00 0.00 173.24 173.23 2da6 s ASN 96 N 9.03 -0.28 0.23 7.02 4.22 -1.26 -5.19 114.94 128.71 2da6 s ASN 96 Ca 0.76 -0.47 -0.04 0.00 -2.14 0.00 0.00 52.86 50.97 2da6 s ASN 96 Cb -0.11 0.65 -0.02 0.00 1.28 0.00 0.00 41.25 43.04 2da6 s ASN 96 CO 0.11 -1.17 0.28 -0.44 -2.04 0.00 0.00 177.10 173.83 2da6 s SER 97 N -2.89 0.23 0.00 3.54 0.01 -1.26 -5.13 113.70 108.20 2da6 s SER 97 Ca 0.10 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2da6 s SER 97 Cb -0.04 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2da6 s SER 97 CO 0.03 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2da6 n GLY 98 N -0.35 -0.22 3.71 3.44 0.00 -1.26 -5.12 105.19 105.39 2da6 n GLY 98 Ca 0.01 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 0.52 4.32 -0.17 1.61 0.04 -1.26 -4.93 135.00 135.14 2da6 s PRO 99 Ca 0.00 2.03 0.14 0.00 0.04 0.00 0.00 61.00 63.22 2da6 s PRO 99 Cb 0.00 -3.31 -0.24 0.00 0.04 0.00 0.00 34.50 30.99 2da6 s PRO 99 CO 0.00 -0.44 0.19 0.45 0.04 0.00 0.00 177.00 177.24 2da6 n SER 100 N 4.16 0.47 0.27 6.66 2.88 -1.26 -4.57 113.62 122.24 2da6 n SER 100 Ca 0.11 0.09 -0.11 0.00 -1.33 0.00 0.00 58.87 57.64 2da6 n SER 100 Cb 0.43 0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 64.39 2da6 n SER 100 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2da6 h SER 101 N 0.00 -0.58 0.00 -3.46 0.02 -2.08 -3.57 113.55 103.88 2da6 h SER 101 Ca -0.49 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2da6 h SER 101 Cb 2.15 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.84 2da6 h SER 101 CO 0.03 -0.40 0.00 0.61 -1.14 0.00 0.00 176.83 175.94