#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dna h SER 2 N 0.00 0.00 -2.38 1.61 0.02 -2.13 -3.48 113.55 107.18 2dna h SER 2 Ca 0.00 -0.11 -0.58 0.00 -0.84 0.00 0.00 61.79 60.26 2dna h SER 2 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2dna h SER 2 CO 0.00 0.72 -0.76 -0.44 -1.14 0.00 0.00 176.83 175.22 2dna s SER 3 N -5.78 3.41 0.00 3.07 0.01 -1.26 -5.01 113.70 108.15 2dna s SER 3 Ca -0.10 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2dna s SER 3 Cb 0.01 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2dna s SER 3 CO 0.19 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2dna n GLY 4 N -0.58 0.83 3.59 3.44 0.00 -1.26 -5.17 105.19 106.05 2dna n GLY 4 Ca -0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 2dna n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dna s SER 5 N -0.02 -0.57 -0.07 1.61 1.04 -1.26 -4.91 113.70 109.52 2dna s SER 5 Ca 0.00 0.87 -0.03 0.00 0.48 0.00 0.00 55.95 57.27 2dna s SER 5 Cb 0.00 1.36 0.04 0.00 0.10 0.00 0.00 66.02 67.52 2dna s SER 5 CO 0.00 -0.13 0.14 -0.55 0.98 0.00 0.00 173.24 173.68 2dna s SER 6 N 1.66 0.51 0.00 7.02 0.15 -1.26 -5.11 113.70 116.67 2dna s SER 6 Ca -0.08 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2dna s SER 6 Cb -0.05 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2dna s SER 6 CO -0.16 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2dna n GLY 7 N 4.95 -0.80 3.55 9.45 0.00 -1.26 -4.90 105.19 116.18 2dna n GLY 7 Ca -0.12 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.35 2dna n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dna s PRO 8 N 0.00 2.92 0.18 1.61 0.04 -1.26 -4.56 135.00 133.93 2dna s PRO 8 Ca 0.00 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.18 2dna s PRO 8 Cb 0.00 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2dna s PRO 8 CO 0.00 -2.44 0.00 0.43 0.04 0.00 0.00 177.00 175.03 2dna n SER 9 N 11.02 0.10 -0.08 6.66 7.64 -1.26 -4.95 113.62 132.75 2dna n SER 9 Ca 0.12 0.30 -0.08 0.00 1.01 0.00 0.00 58.87 60.22 2dna n SER 9 Cb 0.50 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.85 2dna n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dna n HIS 10 N -3.26 0.09 -0.54 1.43 8.25 -1.26 -4.95 115.22 114.98 2dna n HIS 10 Ca 0.00 0.04 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 2dna n HIS 10 Cb 0.04 -0.48 0.23 0.00 1.12 0.00 0.00 29.99 30.89 2dna n HIS 10 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2dna n SER 11 N -4.28 -2.11 -1.27 0.41 3.41 -1.26 -4.77 113.62 103.75 2dna n SER 11 Ca -0.12 -0.19 0.16 0.00 -0.26 0.00 0.00 58.87 58.47 2dna n SER 11 Cb 0.44 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.22 2dna n SER 11 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2dna n LEU 12 N -3.71 -0.67 -4.86 1.04 4.77 -1.26 -4.80 117.00 107.51 2dna n LEU 12 Ca 0.01 1.51 -0.31 0.00 -0.03 0.00 0.00 56.01 57.20 2dna n LEU 12 Cb 0.57 -4.01 -0.03 0.00 -2.33 0.00 0.00 43.42 37.62 2dna n LEU 12 CO 0.56 -2.95 0.58 -1.58 -1.33 0.00 0.00 177.39 172.67 2dna s GLN 13 N -2.64 3.86 0.75 3.23 0.74 -1.26 -4.98 119.66 119.35 2dna s GLN 13 Ca 0.00 0.74 -0.17 0.00 0.05 0.00 0.00 55.36 55.98 2dna s GLN 13 Cb 0.00 -2.24 -0.10 0.00 1.10 0.00 0.00 33.01 31.76 2dna s GLN 13 CO 0.00 -0.18 -0.09 0.00 -0.55 0.00 0.00 175.29 174.47 2dna n ALA 14 N -1.51 -3.29 0.05 1.58 0.00 -1.26 -4.76 120.51 111.33 2dna n ALA 14 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 2dna n ALA 14 Cb 0.54 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 2dna n ALA 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dna h PRO 15 N -0.52 -0.17 -1.18 0.00 0.13 -1.94 -1.62 132.00 126.70 2dna h PRO 15 Ca -0.43 0.01 0.36 0.00 -0.87 0.00 0.00 66.00 65.07 2dna h PRO 15 Cb 1.36 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 32.41 2dna h PRO 15 CO 0.36 -0.12 0.75 1.05 -0.23 0.00 0.00 178.00 179.81 2dna h GLU 16 N -0.56 0.21 -0.25 0.86 -0.00 -1.92 1.49 114.58 114.41 2dna h GLU 16 Ca -0.02 -0.01 -0.18 0.00 -0.00 0.00 0.00 59.36 59.15 2dna h GLU 16 Cb 0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 2dna h GLU 16 CO 0.03 0.14 -0.55 0.28 -0.00 0.00 0.00 179.01 178.91 2dna h VAL 17 N 0.21 1.29 0.01 -1.06 2.07 -1.93 0.59 116.25 117.43 2dna h VAL 17 Ca 0.74 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2dna h VAL 17 Cb 2.10 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 2dna h VAL 17 CO -0.41 0.56 -0.01 -0.09 0.02 0.00 0.00 177.57 177.64 2dna h ARG 18 N 0.55 -0.02 -1.44 1.57 2.43 0.28 -3.11 114.38 114.65 2dna h ARG 18 Ca 0.00 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.48 2dna h ARG 18 Cb 1.16 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.40 2dna h ARG 18 CO 0.12 0.17 0.54 1.19 -1.51 0.00 0.00 179.97 180.48 2dna n PHE 19 N -5.01 3.10 0.03 2.20 3.72 0.15 -4.60 117.46 117.05 2dna n PHE 19 Ca -0.08 -2.67 -0.19 0.00 -0.05 0.00 0.00 57.45 54.47 2dna n PHE 19 Cb 0.12 -1.03 -0.13 0.00 -0.94 0.00 0.00 39.48 37.50 2dna n PHE 19 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2dna h SER 20 N 2.50 0.56 -1.05 4.37 4.64 -0.80 -2.54 113.55 121.24 2dna h SER 20 Ca 0.52 -0.84 0.29 0.00 -0.47 0.00 0.00 61.79 61.30 2dna h SER 20 Cb 0.60 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 2dna h SER 20 CO 1.34 1.34 0.73 0.11 -0.87 0.00 0.00 176.83 179.47 2dna h LYS 21 N -0.14 0.14 0.04 4.77 1.57 -1.83 -0.81 116.57 120.30 2dna h LYS 21 Ca -0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2dna h LYS 21 Cb 1.52 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.80 2dna h LYS 21 CO 0.15 0.09 -0.02 0.93 -0.57 0.00 0.00 179.45 180.03 2dna h GLU 22 N 0.14 -0.05 -1.26 3.15 3.07 -1.91 -3.06 114.58 114.66 2dna h GLU 22 Ca 0.53 0.00 0.44 0.00 -0.50 0.00 0.00 59.36 59.83 2dna h GLU 22 Cb 1.82 0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.61 2dna h GLU 22 CO -0.10 -0.03 0.80 -1.33 -1.40 0.00 0.00 179.01 176.95 2dna n MET 23 N -4.48 -0.03 -0.03 2.33 2.81 -0.70 0.18 117.12 117.20 2dna n MET 23 Ca -0.01 1.16 -0.13 0.00 -1.81 0.00 0.00 57.70 56.91 2dna n MET 23 Cb 0.02 -2.28 -0.09 0.00 -0.71 0.00 0.00 33.22 30.15 2dna n MET 23 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2dna h GLU 24 N 0.00 0.10 -0.85 0.03 4.39 -1.28 -1.76 114.58 115.20 2dna h GLU 24 Ca 0.81 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.44 2dna h GLU 24 Cb 2.60 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 31.21 2dna h GLU 24 CO -0.44 0.59 0.46 0.00 -1.16 0.00 0.00 179.01 178.46 2dna h LEU 26 N 1.20 -0.88 -0.42 0.00 3.38 0.30 -2.18 115.31 116.69 2dna h LEU 26 Ca 0.30 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.43 2dna h LEU 26 Cb 0.04 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2dna h LEU 26 CO -0.05 -0.47 -0.36 1.56 0.09 0.00 0.00 178.44 179.21 2dna h GLN 27 N -0.69 -0.26 -0.81 1.13 1.08 -0.96 0.35 115.11 114.95 2dna h GLN 27 Ca -0.02 0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.34 2dna h GLN 27 Cb 0.62 0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 27.97 2dna h GLN 27 CO -0.05 -0.17 -0.32 0.00 -0.95 0.00 0.00 178.83 177.34 2dna h ALA 28 N 0.68 0.21 -0.57 3.87 0.00 -1.08 1.43 119.26 123.80 2dna h ALA 28 Ca 0.17 0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.41 2dna h ALA 28 Cb 0.56 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2dna h ALA 28 CO -0.57 -0.58 0.38 0.52 0.00 0.00 0.00 179.25 179.00 2dna h MET 29 N -0.06 0.42 0.00 0.00 2.86 -0.36 -3.45 114.93 114.35 2dna h MET 29 Ca 0.32 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2dna h MET 29 Cb 0.59 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2dna h MET 29 CO -0.84 0.28 0.00 0.41 1.06 0.00 0.00 176.91 177.81 2dna n GLY 30 N -1.51 1.06 3.38 8.32 0.00 0.49 -5.04 105.19 111.88 2dna n GLY 30 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2dna n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dna n PHE 31 N 0.00 2.08 -0.10 1.61 3.72 -0.55 -4.62 117.46 119.60 2dna n PHE 31 Ca 0.00 -1.46 -0.10 0.00 -0.05 0.00 0.00 57.45 55.83 2dna n PHE 31 Cb 0.00 -2.11 0.04 0.00 -0.94 0.00 0.00 39.48 36.47 2dna n PHE 31 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 2dna h VAL 32 N 5.41 1.28 -0.05 -4.37 -1.51 -1.82 -3.21 116.25 111.97 2dna h VAL 32 Ca 0.29 -1.47 -0.47 0.00 -1.23 0.00 0.00 66.70 63.83 2dna h VAL 32 Cb 0.81 1.32 -0.09 0.00 -2.13 0.00 0.00 31.29 31.20 2dna h VAL 32 CO 1.58 0.49 1.80 0.59 -1.23 0.00 0.00 177.57 180.80 2dna n ASN 33 N -4.08 0.02 -0.00 4.19 4.13 -1.26 -4.75 115.26 113.50 2dna n ASN 33 Ca -0.01 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.24 2dna n ASN 33 Cb 0.49 -0.87 -0.00 0.00 -1.54 0.00 0.00 39.78 37.86 2dna n ASN 33 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2dna h TYR 34 N 12.05 -0.05 -1.28 3.10 3.20 -1.98 -0.84 116.97 131.17 2dna h TYR 34 Ca -0.04 -0.00 0.40 0.00 3.14 0.00 0.00 58.73 62.23 2dna h TYR 34 Cb 1.27 0.02 -0.12 0.00 1.54 0.00 0.00 36.73 39.44 2dna h TYR 34 CO 1.15 -0.03 0.83 -0.91 -1.64 0.00 0.00 178.16 177.56 2dna h ASN 35 N -0.49 0.26 0.13 -2.11 2.35 -1.99 0.84 115.58 114.58 2dna h ASN 35 Ca -0.01 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2dna h ASN 35 Cb 0.04 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2dna h ASN 35 CO 0.01 -0.12 -0.06 0.00 -1.65 0.00 0.00 177.43 175.61 2dna h ALA 36 N 1.58 -0.37 -0.77 -0.83 0.00 -1.94 -2.84 119.26 114.09 2dna h ALA 36 Ca 0.77 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.77 2dna h ALA 36 Cb 2.39 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 20.12 2dna h ALA 36 CO -0.36 -0.36 -0.36 -0.91 0.00 0.00 0.00 179.25 177.25 2dna h ASN 37 N -0.45 -1.30 -0.47 0.00 2.35 0.43 0.13 115.58 116.28 2dna h ASN 37 Ca -0.02 0.26 0.05 0.00 -0.55 0.00 0.00 56.30 56.04 2dna h ASN 37 Cb 0.13 0.66 -0.07 0.00 0.05 0.00 0.00 38.32 39.09 2dna h ASN 37 CO 0.03 -0.30 -0.42 0.25 -1.65 0.00 0.00 177.43 175.34 2dna h LEU 38 N -0.09 -1.46 -0.10 1.61 6.46 0.50 0.62 115.31 122.84 2dna h LEU 38 Ca 0.28 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 58.27 2dna h LEU 38 Cb 0.57 0.62 -0.06 0.00 -0.73 0.00 0.00 40.66 41.05 2dna h LEU 38 CO -0.82 -0.25 -0.52 1.56 -0.62 0.00 0.00 178.44 177.80 2dna h GLN 39 N -0.18 -0.57 -0.74 1.25 1.08 -0.69 0.48 115.11 115.74 2dna h GLN 39 Ca 0.08 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.45 2dna h GLN 39 Cb 0.39 0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 27.81 2dna h GLN 39 CO -0.54 -0.38 -0.28 0.00 -0.95 0.00 0.00 178.83 176.69 2dna h ALA 40 N -0.23 0.24 0.06 3.87 0.00 0.32 0.82 119.26 124.34 2dna h ALA 40 Ca 0.04 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2dna h ALA 40 Cb 0.68 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2dna h ALA 40 CO -0.41 -0.54 -0.26 -0.07 0.00 0.00 0.00 179.25 177.97 2dna h LEU 41 N -0.06 -0.77 -0.84 0.00 3.38 0.15 0.32 115.31 117.49 2dna h LEU 41 Ca 0.32 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.58 2dna h LEU 41 Cb 0.57 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 2dna h LEU 41 CO -0.78 -0.27 0.25 0.40 0.09 0.00 0.00 178.44 178.13 2dna h ILE 42 N -0.37 0.41 -0.64 1.22 2.04 0.42 1.78 117.51 122.37 2dna h ILE 42 Ca -0.00 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2dna h ILE 42 Cb 0.37 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 2dna h ILE 42 CO -0.14 0.05 0.42 0.00 0.00 0.00 0.00 178.15 178.48 2dna h ALA 43 N 1.72 1.84 -0.44 1.87 0.00 0.18 0.13 119.26 124.56 2dna h ALA 43 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2dna h ALA 43 Cb 0.98 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2dna h ALA 43 CO -0.59 0.05 0.00 0.25 0.00 0.00 0.00 179.25 178.96 2dna n THR 44 N -4.48 2.13 -4.33 0.00 -2.24 0.48 -4.95 114.28 100.90 2dna n THR 44 Ca 0.09 -1.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.04 2dna n THR 44 Cb 0.27 -0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.35 2dna n THR 44 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dna n ASP 45 N 0.27 -0.03 -1.69 3.42 8.00 0.49 -3.32 116.55 123.69 2dna n ASP 45 Ca 0.23 -1.23 -0.00 0.00 0.71 0.00 0.00 54.79 54.49 2dna n ASP 45 Cb 0.91 -1.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 2dna n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dna n GLY 46 N -2.11 -2.48 2.93 0.44 0.00 0.15 -4.96 105.19 99.16 2dna n GLY 46 Ca -0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 2dna n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dna s ASP 47 N -0.49 -0.96 0.23 1.61 -1.08 -1.21 -5.02 116.67 109.75 2dna s ASP 47 Ca 0.01 -1.38 -0.10 0.00 -0.52 0.00 0.00 52.55 50.56 2dna s ASP 47 Cb -0.00 1.61 0.35 0.00 -1.46 0.00 0.00 42.92 43.42 2dna s ASP 47 CO 0.12 -0.14 1.64 0.71 0.52 0.00 0.00 175.17 178.02 2dna h THR 48 N 4.98 0.38 -0.02 1.71 1.35 -1.96 1.14 112.91 120.49 2dna h THR 48 Ca 0.07 -0.03 0.01 0.00 -0.55 0.00 0.00 66.41 65.91 2dna h THR 48 Cb 1.12 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 2dna h THR 48 CO 0.10 0.01 -0.17 -1.13 -0.25 0.00 0.00 175.52 174.08 2dna h ASN 49 N 0.08 -0.53 -0.26 5.36 -1.24 -1.98 1.36 115.58 118.37 2dna h ASN 49 Ca 0.36 0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.49 2dna h ASN 49 Cb 0.61 0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.81 2dna h ASN 49 CO -0.63 -0.16 -0.06 0.00 -1.29 0.00 0.00 177.43 175.29 2dna h ALA 50 N -1.12 0.18 -0.56 1.57 0.00 -1.77 0.60 119.26 118.16 2dna h ALA 50 Ca 0.01 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2dna h ALA 50 Cb 0.22 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 2dna h ALA 50 CO -0.13 -0.47 -0.19 0.00 0.00 0.00 0.00 179.25 178.47 2dna h ALA 51 N 1.26 0.27 0.45 0.00 0.00 0.19 0.42 119.26 121.85 2dna h ALA 51 Ca 0.13 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2dna h ALA 51 Cb 0.19 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dna h ALA 51 CO -0.27 -0.49 -0.28 0.82 0.00 0.00 0.00 179.25 179.03 2dna h ILE 52 N -0.05 0.00 -0.94 0.00 2.04 0.29 0.22 117.51 119.07 2dna h ILE 52 Ca 0.27 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.35 2dna h ILE 52 Cb 0.46 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.37 2dna h ILE 52 CO -0.61 0.00 -0.09 0.22 0.00 0.00 0.00 178.15 177.67 2dna h TYR 53 N -0.68 -0.25 1.00 1.37 3.20 -0.23 0.47 116.97 121.85 2dna h TYR 53 Ca -0.06 0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2dna h TYR 53 Cb 0.55 0.26 0.01 0.00 1.54 0.00 0.00 36.73 39.09 2dna h TYR 53 CO -0.02 -0.40 -0.48 0.87 -1.64 0.00 0.00 178.16 176.49 2dna h LYS 54 N 0.02 -1.30 -0.34 1.82 1.57 0.09 -0.91 116.57 117.52 2dna h LYS 54 Ca 0.51 0.09 0.04 0.00 -1.87 0.00 0.00 60.65 59.42 2dna h LYS 54 Cb 0.93 0.30 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 2dna h LYS 54 CO -0.91 -0.87 -0.45 -0.07 -0.57 0.00 0.00 179.45 176.58 2dna h LEU 55 N -1.36 -1.52 -0.68 2.94 3.38 0.19 -0.50 115.31 117.76 2dna h LEU 55 Ca -0.14 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2dna h LEU 55 Cb 1.03 0.62 -0.09 0.00 0.09 0.00 0.00 40.66 42.32 2dna h LEU 55 CO 0.23 -0.33 -0.47 0.11 0.09 0.00 0.00 178.44 178.07 2dna h LYS 56 N -0.32 -0.08 -0.92 1.13 1.57 -0.14 0.32 116.57 118.12 2dna h LYS 56 Ca 0.06 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2dna h LYS 56 Cb 0.48 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.70 2dna h LYS 56 CO -0.49 -0.05 -0.57 0.77 -0.57 0.00 0.00 179.45 178.54 2dna h SER 57 N -0.09 -2.08 -3.58 0.86 0.02 -0.06 -3.18 113.55 105.45 2dna h SER 57 Ca 0.11 0.31 -0.72 0.00 -0.84 0.00 0.00 61.79 60.65 2dna h SER 57 Cb 0.37 0.91 -0.31 0.00 0.14 0.00 0.00 62.40 63.51 2dna h SER 57 CO -0.68 -0.24 -0.34 -0.55 -1.14 0.00 0.00 176.83 173.88 2dna s SER 58 N -5.39 5.68 -0.33 3.07 0.15 0.07 -5.00 113.70 111.96 2dna s SER 58 Ca -0.12 -2.25 -0.02 0.00 0.70 0.00 0.00 55.95 54.27 2dna s SER 58 Cb 0.10 -1.98 0.12 0.00 -1.71 0.00 0.00 66.02 62.55 2dna s SER 58 CO 0.60 -0.59 0.16 -1.58 1.20 0.00 0.00 173.24 173.03 2dna s GLN 59 N 0.85 0.51 -0.94 5.44 -0.44 -1.01 -4.56 119.66 119.50 2dna s GLN 59 Ca 0.10 -1.02 -0.24 0.00 -2.50 0.00 0.00 55.36 51.70 2dna s GLN 59 Cb -0.22 -1.48 0.02 0.00 -1.64 0.00 0.00 33.01 29.68 2dna s GLN 59 CO -0.03 -1.08 1.58 0.20 0.50 0.00 0.00 175.29 176.46 2dna s GLY 60 N 1.53 0.89 -0.41 2.59 0.00 -1.26 -4.92 107.32 105.74 2dna s GLY 60 Ca 0.13 -1.89 -0.30 0.00 0.00 0.00 0.00 44.72 42.66 2dna s GLY 60 CO -0.20 2.93 2.32 0.33 0.00 0.00 0.00 173.10 178.48 2dna n PHE 61 N 10.43 1.57 -3.13 1.90 -0.00 -1.26 -4.93 117.46 122.04 2dna n PHE 61 Ca 0.31 0.11 -0.23 0.00 -0.00 0.00 0.00 57.45 57.64 2dna n PHE 61 Cb 0.50 -2.61 0.00 0.00 -0.00 0.00 0.00 39.48 37.37 2dna n PHE 61 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2dna s SER 62 N 9.32 6.03 0.00 -2.13 1.04 -1.26 -4.96 113.70 121.74 2dna s SER 62 Ca 1.06 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.85 2dna s SER 62 Cb -0.52 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2dna s SER 62 CO 0.38 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2dna n GLY 63 N -1.96 0.68 3.77 7.32 0.00 -1.26 -5.12 105.19 108.62 2dna n GLY 63 Ca -0.01 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2dna n GLY 63 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dna s PRO 64 N -0.19 0.26 -0.40 1.61 0.04 -1.26 -4.55 135.00 130.50 2dna s PRO 64 Ca 0.00 -0.05 -0.28 0.00 0.04 0.00 0.00 61.00 60.71 2dna s PRO 64 Cb 0.00 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.81 2dna s PRO 64 CO 0.00 -2.73 0.56 0.45 0.04 0.00 0.00 177.00 175.32 2dna n SER 65 N -4.07 -6.36 0.12 6.66 2.88 -1.26 -4.95 113.62 106.64 2dna n SER 65 Ca 0.11 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2dna n SER 65 Cb 0.59 -2.79 0.00 0.00 -0.75 0.00 0.00 64.21 61.26 2dna n SER 65 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dna n SER 66 N -0.04 -0.10 0.00 -3.46 2.88 -1.26 -5.29 113.62 106.35 2dna n SER 66 Ca -0.02 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2dna n SER 66 Cb 0.58 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 2dna n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42