#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 -0.95 -0.13 1.61 1.04 -1.26 -5.05 113.70 108.96 2da6 s SER 2 Ca 0.00 0.62 -0.19 0.00 0.48 0.00 0.00 55.95 56.86 2da6 s SER 2 Cb 0.00 1.81 -0.26 0.00 0.10 0.00 0.00 66.02 67.67 2da6 s SER 2 CO 0.00 -0.18 0.53 0.28 0.98 0.00 0.00 173.24 174.86 2da6 h SER 3 N 7.99 0.25 -0.60 7.02 0.02 -2.08 -3.45 113.55 122.70 2da6 h SER 3 Ca -0.19 -0.81 -0.50 0.00 -0.84 0.00 0.00 61.79 59.45 2da6 h SER 3 Cb 1.16 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 2da6 h SER 3 CO 0.09 1.49 1.69 0.61 -1.14 0.00 0.00 176.83 179.58 2da6 n GLY 4 N 1.66 -0.20 3.50 -3.77 0.00 -1.26 -4.86 105.19 100.26 2da6 n GLY 4 Ca -0.24 0.98 -0.33 0.00 0.00 0.00 0.00 46.02 46.43 2da6 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2da6 n SER 5 N 12.22 -1.13 -0.08 1.61 3.41 -1.26 -4.89 113.62 123.51 2da6 n SER 5 Ca 0.55 0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 59.52 2da6 n SER 5 Cb 0.21 -1.29 -0.00 0.00 -0.26 0.00 0.00 64.21 62.87 2da6 n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2da6 h SER 6 N -1.31 -0.53 0.00 4.04 0.02 -1.89 -3.48 113.55 110.40 2da6 h SER 6 Ca -0.44 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2da6 h SER 6 Cb 1.29 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2da6 h SER 6 CO 0.38 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.49 2da6 n GLY 7 N -1.33 1.64 0.13 -3.77 0.00 -1.26 -4.77 105.19 95.82 2da6 n GLY 7 Ca 0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 0.62 -2.56 1.61 3.00 -1.26 -4.90 116.66 113.17 2da6 n ARG 8 Ca 0.00 0.36 -0.42 0.00 -0.01 0.00 0.00 57.85 57.77 2da6 n ARG 8 Cb 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 32.46 30.80 2da6 n ARG 8 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2da6 s ASN 9 N -7.03 7.16 0.01 0.55 -0.87 -1.26 -5.04 114.94 108.46 2da6 s ASN 9 Ca -0.31 1.73 0.02 0.00 -1.57 0.00 0.00 52.86 52.72 2da6 s ASN 9 Cb 0.09 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.72 2da6 s ASN 9 CO 0.60 -0.48 0.01 -0.13 -2.57 0.00 0.00 177.10 174.53 2da6 s ARG 10 N 1.82 2.80 -0.41 -0.60 0.52 -1.26 -4.67 118.95 117.15 2da6 s ARG 10 Ca 0.53 -0.62 -0.42 0.00 -0.52 0.00 0.00 55.73 54.71 2da6 s ARG 10 Cb -0.23 -2.68 -0.17 0.00 0.52 0.00 0.00 34.95 32.39 2da6 s ARG 10 CO 0.22 0.62 1.92 0.34 0.02 0.00 0.00 175.30 178.43 2da6 n PHE 11 N 1.29 1.63 -4.87 -0.53 -0.00 -1.26 -4.92 117.46 108.80 2da6 n PHE 11 Ca -0.14 0.70 -0.33 0.00 -0.00 0.00 0.00 57.45 57.68 2da6 n PHE 11 Cb 0.53 -2.37 -0.15 0.00 -0.00 0.00 0.00 39.48 37.48 2da6 n PHE 11 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2da6 s LYS 12 N 4.71 3.23 1.01 -4.13 2.20 -1.26 -5.09 119.74 120.40 2da6 s LYS 12 Ca 1.09 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 55.81 2da6 s LYS 12 Cb -1.26 -2.52 0.15 0.00 -1.51 0.00 0.00 37.83 32.70 2da6 s LYS 12 CO 0.66 0.16 0.81 0.91 -0.36 0.00 0.00 175.35 177.53 2da6 n TRP 13 N 3.64 -0.43 -3.38 4.03 7.02 -1.26 -4.97 117.44 122.10 2da6 n TRP 13 Ca -0.19 0.21 -0.09 0.00 -1.02 0.00 0.00 57.50 56.41 2da6 n TRP 13 Cb 0.53 -1.83 0.01 0.00 -2.42 0.00 0.00 31.31 27.59 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 0.93 2.52 0.10 6.99 0.00 -1.26 -4.94 105.19 109.53 2da6 n GLY 14 Ca 0.07 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 2da6 n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 h PRO 15 N 0.00 0.20 0.03 1.61 0.13 -2.00 -2.78 132.00 129.18 2da6 h PRO 15 Ca -0.12 -0.10 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 2da6 h PRO 15 Cb 0.48 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.62 2da6 h PRO 15 CO 0.18 0.63 -0.35 0.00 -0.23 0.00 0.00 178.00 178.22 2da6 h ALA 16 N 0.57 0.01 -0.07 -0.56 0.00 -1.97 -3.27 119.26 113.96 2da6 h ALA 16 Ca 0.01 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2da6 h ALA 16 Cb 0.59 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2da6 h ALA 16 CO 0.02 0.16 -0.52 0.77 0.00 0.00 0.00 179.25 179.67 2da6 h SER 17 N -0.51 -1.64 -0.69 0.00 0.02 -1.86 -2.08 113.55 106.78 2da6 h SER 17 Ca -0.05 0.19 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 2da6 h SER 17 Cb 1.16 0.63 -0.11 0.00 0.14 0.00 0.00 62.40 64.22 2da6 h SER 17 CO 0.07 -0.49 -0.53 1.56 -1.14 0.00 0.00 176.83 176.30 2da6 h GLN 18 N -0.60 -0.19 -0.78 3.45 4.20 -1.64 0.10 115.11 119.65 2da6 h GLN 18 Ca 0.02 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.92 2da6 h GLN 18 Cb 0.68 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.36 2da6 h GLN 18 CO -0.39 -0.13 -0.09 1.96 -0.67 0.00 0.00 178.83 179.52 2da6 h GLN 19 N -0.20 0.04 -0.99 1.46 1.08 -1.50 0.43 115.11 115.43 2da6 h GLN 19 Ca 0.15 -0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.48 2da6 h GLN 19 Cb 0.53 -0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.86 2da6 h GLN 19 CO -0.76 0.03 0.62 0.82 -0.95 0.00 0.00 178.83 178.58 2da6 h ILE 20 N 0.05 0.88 -0.65 2.54 2.04 -0.15 -0.79 117.51 121.43 2da6 h ILE 20 Ca 0.41 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2da6 h ILE 20 Cb 0.69 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2da6 h ILE 20 CO -0.75 0.17 0.36 -0.07 0.00 0.00 0.00 178.15 177.87 2da6 h LEU 21 N 0.94 0.81 -0.07 1.44 3.38 0.45 -2.10 115.31 120.16 2da6 h LEU 21 Ca 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 2da6 h LEU 21 Cb 0.56 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2da6 h LEU 21 CO -0.29 0.66 0.02 1.88 0.09 0.00 0.00 178.44 180.80 2da6 h TYR 22 N 0.89 0.12 -0.64 1.13 0.05 -0.65 0.89 116.97 118.75 2da6 h TYR 22 Ca 0.23 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.13 2da6 h TYR 22 Cb 0.03 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2da6 h TYR 22 CO -0.01 0.31 0.44 1.96 -1.05 0.00 0.00 178.16 179.80 2da6 h GLN 23 N -0.11 0.31 0.10 4.88 1.08 -1.06 0.17 115.11 120.48 2da6 h GLN 23 Ca 0.02 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 2da6 h GLN 23 Cb 0.25 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2da6 h GLN 23 CO 0.00 0.20 -0.58 0.00 -0.95 0.00 0.00 178.83 177.51 2da6 h ALA 24 N 1.69 -0.06 -0.44 3.87 0.00 -1.09 -3.32 119.26 119.92 2da6 h ALA 24 Ca 0.31 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2da6 h ALA 24 Cb 0.77 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2da6 h ALA 24 CO -0.08 0.27 0.23 -0.92 0.00 0.00 0.00 179.25 178.76 2da6 h TYR 25 N -0.57 0.58 -0.25 0.00 5.03 -0.17 -1.39 116.97 120.20 2da6 h TYR 25 Ca -0.10 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.23 2da6 h TYR 25 Cb 1.44 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 2da6 h TYR 25 CO 0.22 0.42 0.17 0.22 -1.32 0.00 0.00 178.16 177.87 2da6 h ASP 26 N 0.61 0.20 0.00 -2.11 3.58 -0.78 -2.96 116.42 114.96 2da6 h ASP 26 Ca 0.16 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 2da6 h ASP 26 Cb 0.03 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2da6 h ASP 26 CO -0.03 0.14 -0.50 0.03 -2.88 0.00 0.00 179.24 176.00 2da6 h ARG 27 N 0.24 0.00 -4.80 0.28 3.08 -1.38 -3.47 114.38 108.33 2da6 h ARG 27 Ca 0.10 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.68 2da6 h ARG 27 Cb 0.12 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 29.86 2da6 h ARG 27 CO -0.02 0.96 -0.80 -1.14 -1.07 0.00 0.00 179.97 177.89 2da6 s GLN 28 N -2.26 1.27 0.09 0.04 2.00 -0.66 -5.03 119.66 115.10 2da6 s GLN 28 Ca -0.22 -0.40 -0.10 0.00 -2.00 0.00 0.00 55.36 52.64 2da6 s GLN 28 Cb 0.01 -1.14 -0.21 0.00 0.80 0.00 0.00 33.01 32.47 2da6 s GLN 28 CO 0.62 0.14 1.19 0.87 -0.50 0.00 0.00 175.29 177.62 2da6 h LYS 29 N 6.41 0.52 -3.44 1.67 1.79 -1.86 -3.35 116.57 118.30 2da6 h LYS 29 Ca -0.33 -0.64 -0.67 0.00 -2.18 0.00 0.00 60.65 56.83 2da6 h LYS 29 Cb 1.17 0.20 -0.38 0.00 -1.58 0.00 0.00 32.23 31.64 2da6 h LYS 29 CO 0.48 1.26 -0.48 -0.80 -1.08 0.00 0.00 179.45 178.83 2da6 s ASN 30 N -7.25 4.84 0.10 0.86 0.01 -1.26 -4.99 114.94 107.24 2da6 s ASN 30 Ca -0.08 -3.03 -0.31 0.00 -0.71 0.00 0.00 52.86 48.73 2da6 s ASN 30 Cb 0.07 -1.75 -0.07 0.00 0.41 0.00 0.00 41.25 39.90 2da6 s ASN 30 CO 0.90 -0.28 1.38 -2.16 -1.51 0.00 0.00 177.10 175.43 2da6 s PRO 31 N -0.32 4.32 0.65 -0.60 0.04 -1.26 -5.03 135.00 132.81 2da6 s PRO 31 Ca 0.18 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2da6 s PRO 31 Cb -0.21 -3.30 0.10 0.00 0.04 0.00 0.00 34.50 31.13 2da6 s PRO 31 CO -0.03 -0.44 0.90 -1.12 0.04 0.00 0.00 177.00 176.35 2da6 s SER 32 N 1.21 4.70 0.20 6.66 0.01 -1.26 -4.39 113.70 120.83 2da6 s SER 32 Ca 0.64 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 57.41 2da6 s SER 32 Cb -0.36 -0.11 0.29 0.00 0.21 0.00 0.00 66.02 66.06 2da6 s SER 32 CO 0.30 -1.60 1.16 1.17 0.41 0.00 0.00 173.24 174.68 2da6 n LYS 33 N -2.60 -0.10 0.41 12.44 0.00 -1.26 0.67 118.16 127.72 2da6 n LYS 33 Ca 0.14 1.16 -0.16 0.00 0.00 0.00 0.00 58.31 59.45 2da6 n LYS 33 Cb 0.61 -1.73 -0.08 0.00 0.00 0.00 0.00 35.03 33.83 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 -1.00 0.18 1.64 4.39 -1.99 -0.19 114.58 117.61 2da6 h GLU 34 Ca 0.33 0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 2da6 h GLU 34 Cb 0.51 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2da6 h GLU 34 CO -0.76 -0.67 -0.28 0.93 -1.16 0.00 0.00 179.01 177.07 2da6 h GLU 35 N -1.09 -0.47 -0.71 2.33 4.39 -1.10 -1.32 114.58 116.62 2da6 h GLU 35 Ca -0.11 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.76 2da6 h GLU 35 Cb 0.80 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.42 2da6 h GLU 35 CO 0.17 -0.31 -0.28 0.00 -1.16 0.00 0.00 179.01 177.43 2da6 h ARG 36 N -0.49 -0.07 -0.38 2.33 3.08 0.14 -0.09 114.38 118.90 2da6 h ARG 36 Ca -0.02 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2da6 h ARG 36 Cb 0.45 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.43 2da6 h ARG 36 CO -0.09 -0.05 -0.23 0.93 -1.07 0.00 0.00 179.97 179.46 2da6 h GLU 37 N -0.07 -0.17 -0.08 0.04 4.39 -0.73 0.35 114.58 118.30 2da6 h GLU 37 Ca 0.30 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.04 2da6 h GLU 37 Cb 0.56 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2da6 h GLU 37 CO -0.76 -0.11 0.69 0.00 -1.16 0.00 0.00 179.01 177.67 2da6 h ALA 38 N 1.01 1.77 0.00 3.43 0.00 0.17 1.43 119.26 127.07 2da6 h ALA 38 Ca 0.18 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 2da6 h ALA 38 Cb 0.46 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2da6 h ALA 38 CO -0.48 -0.73 -1.87 1.28 0.00 0.00 0.00 179.25 177.45 2da6 n LEU 39 N -2.78 0.48 -0.10 0.00 4.77 0.12 -2.83 117.00 116.66 2da6 n LEU 39 Ca 0.01 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.07 2da6 n LEU 39 Cb 0.74 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 2da6 n LEU 39 CO 0.09 0.30 0.50 0.58 -1.33 0.00 0.00 177.39 177.53 2da6 h VAL 40 N 0.00 1.28 0.14 4.08 2.07 0.26 -1.28 116.25 122.79 2da6 h VAL 40 Ca -0.30 -1.62 -0.24 0.00 0.82 0.00 0.00 66.70 65.35 2da6 h VAL 40 Cb 1.85 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2da6 h VAL 40 CO 0.04 0.54 -1.16 1.05 0.02 0.00 0.00 177.57 178.06 2da6 h GLU 41 N 0.69 0.29 -0.39 1.57 4.11 -1.51 -3.13 114.58 116.20 2da6 h GLU 41 Ca 0.04 -0.49 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2da6 h GLU 41 Cb 1.05 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2da6 h GLU 41 CO 0.10 1.23 0.25 1.49 0.07 0.00 0.00 179.01 182.16 2da6 h GLU 42 N -0.31 0.53 0.31 1.06 4.57 -1.61 -1.32 114.58 117.82 2da6 h GLU 42 Ca -0.23 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 2da6 h GLU 42 Cb 1.74 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 2da6 h GLU 42 CO 0.11 0.37 -0.15 0.00 -1.18 0.00 0.00 179.01 178.16 2da6 h ASN 44 N -0.42 0.03 0.50 0.00 2.35 -1.58 0.21 115.58 116.68 2da6 h ASN 44 Ca -0.04 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2da6 h ASN 44 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2da6 h ASN 44 CO 0.07 0.00 -0.24 -0.09 -1.65 0.00 0.00 177.43 175.52 2da6 h ARG 45 N 0.03 -0.65 -0.78 0.81 2.43 -0.90 -2.96 114.38 112.35 2da6 h ARG 45 Ca 0.60 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.91 2da6 h ARG 45 Cb 2.36 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 31.99 2da6 h ARG 45 CO -0.03 -0.43 0.43 0.00 -1.51 0.00 0.00 179.97 178.43 2da6 h ALA 46 N -1.32 1.11 -0.78 2.80 0.00 0.01 -1.58 119.26 119.50 2da6 h ALA 46 Ca -0.07 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2da6 h ALA 46 Cb 0.52 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2da6 h ALA 46 CO 0.11 0.05 0.31 0.93 0.00 0.00 0.00 179.25 180.65 2da6 h GLU 47 N 0.72 0.42 -0.38 0.00 5.08 -1.07 0.09 114.58 119.46 2da6 h GLU 47 Ca 0.38 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2da6 h GLU 47 Cb 0.36 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2da6 h GLU 47 CO -0.25 0.28 0.06 0.00 -1.00 0.00 0.00 179.01 178.09 2da6 h LEU 49 N 0.47 -1.10 -0.52 0.00 3.38 -0.75 1.96 115.31 118.75 2da6 h LEU 49 Ca 0.11 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.23 2da6 h LEU 49 Cb 0.37 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 2da6 h LEU 49 CO 0.01 -0.70 0.10 0.06 0.09 0.00 0.00 178.44 178.00 2da6 h GLN 50 N -1.14 0.23 0.00 1.13 3.07 -1.09 0.44 115.11 117.75 2da6 h GLN 50 Ca -0.11 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.62 2da6 h GLN 50 Cb 0.90 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.41 2da6 h GLN 50 CO 0.13 0.15 0.00 0.54 0.09 0.00 0.00 178.83 179.75 2da6 n ARG 51 N -5.12 0.69 0.00 0.06 1.74 -0.45 -4.83 116.66 108.75 2da6 n ARG 51 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2da6 n ARG 51 Cb 0.26 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2da6 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2da6 n GLY 52 N 0.31 2.89 3.40 -0.13 0.00 0.16 -5.00 105.19 106.82 2da6 n GLY 52 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.02 1.75 0.00 1.61 1.01 0.65 -4.79 120.40 119.62 2da6 s VAL 53 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2da6 s VAL 53 Cb 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2da6 s VAL 53 CO 0.00 0.00 0.35 -0.55 0.00 0.00 0.00 175.10 174.90 2da6 s SER 54 N -2.59 6.67 0.00 3.32 0.15 -1.26 -3.08 113.70 116.91 2da6 s SER 54 Ca 0.69 0.80 0.14 0.00 0.70 0.00 0.00 55.95 58.28 2da6 s SER 54 Cb -0.22 -2.19 0.68 0.00 -1.71 0.00 0.00 66.02 62.58 2da6 s SER 54 CO 0.64 0.29 1.43 -0.81 1.20 0.00 0.00 173.24 175.99 2da6 n PRO 55 N 1.53 0.10 0.05 5.44 -0.04 -1.26 -2.13 135.00 138.69 2da6 n PRO 55 Ca -0.13 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2da6 n PRO 55 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.40 0.44 -3.17 3.54 7.64 -1.26 -4.39 113.62 115.02 2da6 n SER 56 Ca 0.05 0.17 -0.35 0.00 1.01 0.00 0.00 58.87 59.75 2da6 n SER 56 Cb 0.14 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 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 -2.49 4.11 0.09 1.43 4.76 -0.90 -4.72 118.16 120.43 2da6 n LYS 57 Ca -0.03 -4.51 -0.06 0.00 -2.87 0.00 0.00 58.31 50.84 2da6 n LYS 57 Cb 0.58 -2.34 -0.01 0.00 -1.84 0.00 0.00 35.03 31.42 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 3.45 0.56 -0.01 7.82 0.00 -1.77 -3.20 119.26 126.12 2da6 h ALA 58 Ca 0.40 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2da6 h ALA 58 Cb 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2da6 h ALA 58 CO 1.08 1.01 0.64 1.12 0.00 0.00 0.00 179.25 183.10 2da6 h HIS 59 N 0.04 0.00 -0.03 0.00 2.07 -1.95 0.48 115.15 115.75 2da6 h HIS 59 Ca -0.02 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.24 2da6 h HIS 59 Cb 1.51 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.51 2da6 h HIS 59 CO 0.01 0.00 -0.99 0.78 -3.07 0.00 0.00 177.93 174.66 2da6 h GLY 60 N 0.00 0.81 -0.72 6.13 0.00 -1.96 -3.28 103.07 104.04 2da6 h GLY 60 Ca 0.00 -1.35 0.26 0.00 0.00 0.00 0.00 47.33 46.24 2da6 h GLY 60 CO -0.00 1.20 0.23 1.04 0.00 0.00 0.00 176.54 179.01 2da6 n LEU 61 N -3.87 0.11 0.00 3.11 4.77 0.17 -4.67 117.00 116.62 2da6 n LEU 61 Ca -0.10 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 2da6 n LEU 61 Cb 0.86 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2da6 n LEU 61 CO 0.55 -1.30 0.00 0.61 -1.33 0.00 0.00 177.39 175.93 2da6 n GLY 62 N -1.26 0.73 0.24 -0.72 0.00 -1.24 -1.21 105.19 101.73 2da6 n GLY 62 Ca 0.23 0.58 0.08 0.00 0.00 0.00 0.00 46.02 46.91 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 -0.49 1.61 0.02 -1.95 -1.30 113.55 111.44 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 0.18 0.00 0.59 -1.14 0.00 0.00 176.83 176.46 2da6 n ASN 64 N -4.02 3.94 -4.76 3.07 3.02 -0.35 -4.37 115.26 111.79 2da6 n ASN 64 Ca -0.02 -2.41 -0.40 0.00 -0.03 0.00 0.00 54.58 51.72 2da6 n ASN 64 Cb 0.26 -0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.64 4.58 0.06 3.41 2.96 -0.49 -4.90 118.68 122.66 2da6 s LEU 65 Ca 0.40 1.70 -0.04 0.00 -0.22 0.00 0.00 54.13 55.96 2da6 s LEU 65 Cb 0.27 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 2da6 s LEU 65 CO 0.18 0.16 0.28 -0.69 -1.32 0.00 0.00 176.35 174.95 2da6 s VAL 66 N -0.94 5.29 0.06 1.68 1.01 -1.26 -4.96 120.40 121.28 2da6 s VAL 66 Ca 0.38 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 2da6 s VAL 66 Cb -0.23 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2da6 s VAL 66 CO 0.27 0.21 0.25 0.42 0.00 0.00 0.00 175.10 176.26 2da6 s THR 67 N -1.45 0.11 0.30 3.92 -4.23 -1.26 -4.92 115.64 108.10 2da6 s THR 67 Ca 0.33 -0.88 0.15 0.00 -1.18 0.00 0.00 61.69 60.12 2da6 s THR 67 Cb -0.13 -1.07 0.29 0.00 1.34 0.00 0.00 72.50 72.93 2da6 s THR 67 CO 0.22 -0.48 1.28 1.21 -0.54 0.00 0.00 174.62 176.30 2da6 n GLU 68 N 0.34 -0.05 0.16 3.99 2.13 -1.26 0.80 120.64 126.75 2da6 n GLU 68 Ca -0.17 1.13 -0.14 0.00 0.66 0.00 0.00 57.16 58.64 2da6 n GLU 68 Cb 0.61 -2.00 -0.08 0.00 0.27 0.00 0.00 31.44 30.23 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 0.71 -0.86 6.31 2.07 -1.98 -1.72 116.25 120.78 2da6 h VAL 69 Ca 0.67 -0.51 0.16 0.00 0.82 0.00 0.00 66.70 67.84 2da6 h VAL 69 Cb 1.74 0.98 -0.16 0.00 -1.52 0.00 0.00 31.29 32.33 2da6 h VAL 69 CO -0.64 0.10 -0.26 0.03 0.02 0.00 0.00 177.57 176.82 2da6 h ARG 70 N -0.70 -0.02 -0.50 1.57 2.47 0.01 0.33 114.38 117.54 2da6 h ARG 70 Ca -0.04 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 2da6 h ARG 70 Cb 0.48 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 2da6 h ARG 70 CO 0.07 -0.01 0.05 0.28 0.56 0.00 0.00 179.97 180.92 2da6 h VAL 71 N -0.02 1.26 -0.47 2.04 2.07 -1.45 -2.25 116.25 117.41 2da6 h VAL 71 Ca 0.38 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.98 2da6 h VAL 71 Cb 0.62 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 2da6 h VAL 71 CO -0.89 0.35 0.14 0.22 0.02 0.00 0.00 177.57 177.42 2da6 h TYR 72 N 0.73 0.25 -0.18 1.57 5.03 0.49 -0.37 116.97 124.49 2da6 h TYR 72 Ca 0.15 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 2da6 h TYR 72 Cb 0.44 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 2da6 h TYR 72 CO 0.03 0.06 0.06 -0.91 -1.32 0.00 0.00 178.16 176.09 2da6 h ASN 73 N 0.30 0.26 -0.79 -2.11 2.35 -0.80 -0.02 115.58 114.78 2da6 h ASN 73 Ca 0.23 -0.19 0.09 0.00 -0.55 0.00 0.00 56.30 55.88 2da6 h ASN 73 Cb 0.26 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 2da6 h ASN 73 CO -0.26 0.38 0.44 -0.25 -1.65 0.00 0.00 177.43 176.09 2da6 h TRP 74 N 0.12 0.79 -0.26 1.19 7.01 -0.92 -1.62 115.95 122.26 2da6 h TRP 74 Ca 0.06 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.92 2da6 h TRP 74 Cb 0.21 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.04 2da6 h TRP 74 CO -0.00 0.31 -0.52 0.74 -2.79 0.00 0.00 178.44 176.18 2da6 h PHE 75 N 0.73 0.94 -0.50 2.65 -1.00 -0.90 -2.93 116.94 115.94 2da6 h PHE 75 Ca 0.38 -0.32 0.09 0.00 2.81 0.00 0.00 57.97 60.92 2da6 h PHE 75 Cb 0.36 -0.18 -0.07 0.00 3.61 0.00 0.00 35.95 39.66 2da6 h PHE 75 CO -0.07 1.11 0.08 0.00 -1.61 0.00 0.00 178.31 177.82 2da6 h ALA 76 N 0.82 0.54 -0.65 2.45 0.00 -0.05 -1.22 119.26 121.17 2da6 h ALA 76 Ca 0.02 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2da6 h ALA 76 Cb 1.10 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2da6 h ALA 76 CO 0.11 -0.32 0.09 -0.97 0.00 0.00 0.00 179.25 178.15 2da6 h ASN 77 N 0.21 1.03 0.12 0.00 -0.73 -1.42 0.32 115.58 115.11 2da6 h ASN 77 Ca 0.25 -0.25 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2da6 h ASN 77 Cb 0.35 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 2da6 h ASN 77 CO -0.34 1.03 -0.05 0.03 -0.37 0.00 0.00 177.43 177.73 2da6 h ARG 78 N 1.00 0.00 0.00 6.67 2.47 -1.08 -0.07 114.38 123.37 2da6 h ARG 78 Ca 0.20 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.70 2da6 h ARG 78 Cb 0.45 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.73 2da6 h ARG 78 CO 0.02 0.05 -2.06 0.54 0.56 0.00 0.00 179.97 179.08 2da6 n ARG 79 N -3.86 0.67 0.15 0.04 1.74 -0.56 -3.90 116.66 110.93 2da6 n ARG 79 Ca -0.03 -0.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2da6 n ARG 79 Cb 0.14 -1.58 0.14 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.01 5.56 2.10 0.26 -2.99 116.57 121.51 2da6 h LYS 80 Ca -0.30 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.30 2da6 h LYS 80 Cb 1.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 2da6 h LYS 80 CO 0.02 0.54 -0.21 1.05 -2.00 0.00 0.00 179.45 178.85 2da6 h GLU 81 N 0.00 0.13 -0.92 0.07 4.11 -1.21 -1.72 114.58 115.05 2da6 h GLU 81 Ca -0.01 -0.15 0.05 0.00 0.07 0.00 0.00 59.36 59.33 2da6 h GLU 81 Cb 1.22 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 2da6 h GLU 81 CO 0.07 0.93 0.60 1.05 0.07 0.00 0.00 179.01 181.73 2da6 h GLU 82 N -0.60 1.06 0.00 1.06 4.11 -1.68 -1.08 114.58 117.46 2da6 h GLU 82 Ca -0.03 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.26 2da6 h GLU 82 Cb 1.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2da6 h GLU 82 CO 0.04 0.70 -0.35 0.00 0.07 0.00 0.00 179.01 179.48 2da6 h ALA 83 N 1.49 0.79 -0.18 1.06 0.00 -1.60 -3.37 119.26 117.46 2da6 h ALA 83 Ca 0.39 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2da6 h ALA 83 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2da6 h ALA 83 CO -0.14 0.43 -0.14 0.35 0.00 0.00 0.00 179.25 179.76 2da6 h PHE 84 N 0.00 -0.44 -1.70 0.00 3.04 -0.22 0.75 116.94 118.38 2da6 h PHE 84 Ca -0.00 0.03 0.49 0.00 3.98 0.00 0.00 57.97 62.46 2da6 h PHE 84 Cb 1.22 0.22 -0.07 0.00 2.56 0.00 0.00 35.95 39.87 2da6 h PHE 84 CO 0.00 -0.10 1.30 0.54 -2.02 0.00 0.00 178.31 178.03 2da6 n ARG 85 N -3.46 0.00 0.02 1.11 1.74 -1.25 0.23 116.66 115.05 2da6 n ARG 85 Ca -0.00 1.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.89 2da6 n ARG 85 Cb 0.07 -2.34 -0.14 0.00 -1.02 0.00 0.00 32.46 29.03 2da6 n ARG 85 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2da6 h GLN 86 N 0.00 0.24 -0.59 5.56 4.20 0.03 -3.35 115.11 121.20 2da6 h GLN 86 Ca 0.81 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 59.08 2da6 h GLN 86 Cb 3.40 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 31.30 2da6 h GLN 86 CO -0.01 1.10 0.25 -0.22 -0.67 0.00 0.00 178.83 179.29 2da6 h LYS 87 N 0.07 0.86 0.00 1.46 3.11 0.73 -1.18 116.57 121.62 2da6 h LYS 87 Ca -0.37 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2da6 h LYS 87 Cb 2.04 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 33.12 2da6 h LYS 87 CO 0.11 0.73 0.00 1.47 -2.81 0.00 0.00 179.45 178.94 2da6 n LEU 88 N -4.50 0.00 -0.12 5.20 -0.00 0.08 -2.29 117.00 115.37 2da6 n LEU 88 Ca 0.03 0.25 -0.22 0.00 -0.00 0.00 0.00 56.01 56.07 2da6 n LEU 88 Cb 0.15 -0.25 -0.08 0.00 -0.00 0.00 0.00 43.42 43.24 2da6 n LEU 88 CO 0.38 -0.16 -1.07 0.00 -0.00 0.00 0.00 177.39 176.54 2da6 n ALA 89 N -1.25 1.02 -0.33 1.47 0.00 -0.51 -4.50 120.51 116.42 2da6 n ALA 89 Ca 0.06 -0.92 0.03 0.00 0.00 0.00 0.00 53.44 52.61 2da6 n ALA 89 Cb 0.08 0.02 0.21 0.00 0.00 0.00 0.00 19.45 19.76 2da6 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2da6 h MET 90 N -1.00 1.07 0.00 0.00 -0.00 -1.28 -3.34 114.93 110.38 2da6 h MET 90 Ca -0.43 -0.06 -0.24 0.00 -0.00 0.00 0.00 59.70 58.96 2da6 h MET 90 Cb 1.35 -0.24 0.14 0.00 -0.00 0.00 0.00 31.60 32.85 2da6 h MET 90 CO -0.26 0.71 -0.12 -0.25 -0.00 0.00 0.00 176.91 176.99 2da6 n ASP 91 N -4.49 -3.42 -4.18 -0.10 9.92 -0.97 -4.74 116.55 108.58 2da6 n ASP 91 Ca 0.14 -0.58 -0.35 0.00 -0.53 0.00 0.00 54.79 53.47 2da6 n ASP 91 Cb 0.19 -0.78 0.12 0.00 -0.64 0.00 0.00 41.12 40.01 2da6 n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2da6 n ALA 92 N -4.82 -4.77 -4.30 2.24 0.00 -1.26 -2.95 120.51 104.66 2da6 n ALA 92 Ca -0.13 -1.32 -0.35 0.00 0.00 0.00 0.00 53.44 51.64 2da6 n ALA 92 Cb 0.40 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 2da6 n ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2da6 n TYR 93 N -4.08 -1.41 -0.76 0.00 4.02 -1.26 -4.88 117.16 108.79 2da6 n TYR 93 Ca -0.00 0.70 -0.30 0.00 -0.01 0.00 0.00 57.90 58.29 2da6 n TYR 93 Cb 0.67 -2.73 0.19 0.00 -0.02 0.00 0.00 39.34 37.45 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 -3.81 2.27 0.15 7.72 0.15 -1.15 -4.93 113.70 114.10 2da6 s SER 94 Ca 0.41 1.76 -0.15 0.00 0.70 0.00 0.00 55.95 58.67 2da6 s SER 94 Cb -0.23 -2.38 0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2da6 s SER 94 CO 0.97 -3.44 1.75 -1.28 1.20 0.00 0.00 173.24 172.45 2da6 h SER 95 N -2.10 0.55 -3.54 5.45 0.87 -1.90 -3.42 113.55 109.47 2da6 h SER 95 Ca -0.52 -0.09 -0.52 0.00 -1.23 0.00 0.00 61.79 59.42 2da6 h SER 95 Cb 1.30 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 2da6 h SER 95 CO 0.48 0.49 0.26 0.20 -0.53 0.00 0.00 176.83 177.73 2da6 s ASN 96 N -5.75 7.41 0.24 6.23 0.01 -1.26 -5.05 114.94 116.78 2da6 s ASN 96 Ca -0.13 1.67 -0.13 0.00 -0.71 0.00 0.00 52.86 53.56 2da6 s ASN 96 Cb 0.11 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 39.23 2da6 s ASN 96 CO 0.74 0.04 0.48 -0.55 -1.51 0.00 0.00 177.10 176.31 2da6 s SER 97 N -0.39 -0.10 0.40 -1.22 0.15 -1.26 -5.05 113.70 106.22 2da6 s SER 97 Ca 0.41 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2da6 s SER 97 Cb -0.23 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2da6 s SER 97 CO 0.27 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 174.18 2da6 n GLY 98 N -0.38 0.17 0.27 9.45 0.00 -1.26 -4.97 105.19 108.47 2da6 n GLY 98 Ca -0.02 -1.83 0.16 0.00 0.00 0.00 0.00 46.02 44.33 2da6 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 h PRO 99 N 0.00 0.00 -7.38 1.61 0.13 -2.05 -3.45 132.00 120.86 2da6 h PRO 99 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2da6 h PRO 99 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 2da6 h PRO 99 CO 0.00 0.03 0.36 -1.54 -0.23 0.00 0.00 178.00 176.62 2da6 s SER 100 N -5.75 5.55 1.20 1.44 1.04 -1.26 -5.05 113.70 110.87 2da6 s SER 100 Ca 0.01 1.06 -0.14 0.00 0.48 0.00 0.00 55.95 57.35 2da6 s SER 100 Cb 0.09 -1.92 0.27 0.00 0.10 0.00 0.00 66.02 64.56 2da6 s SER 100 CO 0.55 -1.24 0.80 -0.24 0.98 0.00 0.00 173.24 174.09 2da6 n SER 101 N -2.89 -2.11 0.00 7.02 2.88 -1.26 -5.07 113.62 112.20 2da6 n SER 101 Ca 0.06 -0.23 0.13 0.00 -1.33 0.00 0.00 58.87 57.51 2da6 n SER 101 Cb 0.57 -1.17 0.79 0.00 -0.75 0.00 0.00 64.21 63.65 2da6 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42