#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dna n SER 2 N 0.00 -1.55 0.00 1.61 7.64 -1.26 -5.03 113.62 115.03 2dna n SER 2 Ca 0.00 1.30 -0.04 0.00 1.01 0.00 0.00 58.87 61.15 2dna n SER 2 Cb 0.00 -5.10 -0.01 0.00 -1.01 0.00 0.00 64.21 58.09 2dna n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dna n SER 3 N 1.47 1.23 0.00 6.43 2.88 -1.26 -5.15 113.62 119.22 2dna n SER 3 Ca -0.35 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2dna n SER 3 Cb 0.53 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2dna n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dna n GLY 4 N 2.83 3.81 3.45 0.46 0.00 -1.26 -5.15 105.19 109.34 2dna n GLY 4 Ca -0.06 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 3.50 -0.56 1.61 1.04 -1.26 -5.10 113.70 112.93 2dna s SER 5 Ca 0.00 -1.01 -0.12 0.00 0.48 0.00 0.00 55.95 55.30 2dna s SER 5 Cb 0.00 -0.28 0.14 0.00 0.10 0.00 0.00 66.02 65.98 2dna s SER 5 CO 0.00 0.04 0.48 -0.55 0.98 0.00 0.00 173.24 174.18 2dna s SER 6 N -3.37 6.04 0.00 7.02 0.15 -1.26 -5.00 113.70 117.28 2dna s SER 6 Ca 0.28 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.91 2dna s SER 6 Cb -0.05 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2dna s SER 6 CO 0.14 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2dna n GLY 7 N 4.85 3.14 3.58 9.45 0.00 -1.26 -5.10 105.19 119.85 2dna n GLY 7 Ca -0.07 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.31 3.29 0.05 1.61 0.04 -1.26 -4.96 135.00 133.46 2dna s PRO 8 Ca 0.00 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 2dna s PRO 8 Cb 0.00 -4.14 0.01 0.00 0.04 0.00 0.00 34.50 30.41 2dna s PRO 8 CO 0.00 -1.95 0.23 0.45 0.04 0.00 0.00 177.00 175.77 2dna s SER 9 N 4.80 -0.00 0.39 6.66 0.15 -1.26 -5.14 113.70 119.29 2dna s SER 9 Ca 0.57 -0.37 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 2dna s SER 9 Cb -0.12 0.32 -0.09 0.00 -1.71 0.00 0.00 66.02 64.42 2dna s SER 9 CO 0.26 -0.62 1.25 -1.00 1.20 0.00 0.00 173.24 174.34 2dna s HIS 10 N -2.86 2.96 0.05 3.44 3.76 -1.26 -4.95 115.29 116.43 2dna s HIS 10 Ca -0.03 1.47 -0.27 0.00 -0.15 0.00 0.00 55.06 56.08 2dna s HIS 10 Cb 0.00 -3.57 -0.17 0.00 1.11 0.00 0.00 32.58 29.95 2dna s HIS 10 CO -0.05 -1.76 1.53 1.03 -0.85 0.00 0.00 174.74 174.63 2dna h SER 11 N 2.82 -0.36 0.31 1.40 0.87 -2.01 -2.46 113.55 114.12 2dna h SER 11 Ca -0.49 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 59.96 2dna h SER 11 Cb 1.24 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2dna h SER 11 CO 0.63 -0.15 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.51 2dna h LEU 12 N -0.55 0.00 -0.49 2.23 3.38 -2.07 -3.48 115.31 114.33 2dna h LEU 12 Ca -0.04 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.23 2dna h LEU 12 Cb 0.41 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.00 2dna h LEU 12 CO 0.07 0.20 -1.03 1.67 0.09 0.00 0.00 178.44 179.44 2dna n GLN 13 N -4.00 -2.84 -1.17 1.13 7.27 -0.93 -4.77 117.38 112.07 2dna n GLN 13 Ca -0.02 2.28 -0.36 0.00 0.07 0.00 0.00 57.00 58.97 2dna n GLN 13 Cb 0.28 -3.41 0.06 0.00 2.41 0.00 0.00 30.24 29.58 2dna n GLN 13 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dna n ALA 14 N -3.93 -2.58 0.02 1.69 0.00 -1.26 -4.83 120.51 109.61 2dna n ALA 14 Ca -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.04 2dna n ALA 14 Cb 0.61 -1.65 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.53 -0.06 -0.95 0.00 0.13 -1.99 -2.36 132.00 126.24 2dna h PRO 15 Ca -0.44 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 2dna h PRO 15 Cb 1.35 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.32 2dna h PRO 15 CO 0.38 -0.04 -0.24 1.49 -0.23 0.00 0.00 178.00 179.36 2dna h GLU 16 N -0.20 -0.00 -0.75 0.86 4.22 -1.92 1.48 114.58 118.27 2dna h GLU 16 Ca -0.01 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.48 2dna h GLU 16 Cb 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2dna h GLU 16 CO 0.01 -0.00 0.46 0.28 -2.18 0.00 0.00 179.01 177.58 2dna h VAL 17 N -0.00 1.05 0.47 0.32 2.07 -1.95 1.45 116.25 119.66 2dna h VAL 17 Ca 0.45 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2dna h VAL 17 Cb 0.69 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2dna h VAL 17 CO -0.98 0.16 -0.46 -0.09 0.02 0.00 0.00 177.57 176.21 2dna h ARG 18 N 0.86 -0.90 -0.98 1.57 2.43 0.26 -2.77 114.38 114.85 2dna h ARG 18 Ca 0.32 0.06 -0.64 0.00 -0.81 0.00 0.00 59.98 58.90 2dna h ARG 18 Cb 0.10 0.20 -0.30 0.00 -0.42 0.00 0.00 29.97 29.56 2dna h ARG 18 CO -0.15 -0.60 0.76 1.19 -1.51 0.00 0.00 179.97 179.67 2dna n PHE 19 N -5.25 3.17 0.07 2.20 3.72 -0.13 -4.59 117.46 116.64 2dna n PHE 19 Ca -0.11 -2.81 -0.13 0.00 -0.05 0.00 0.00 57.45 54.35 2dna n PHE 19 Cb 0.42 -1.32 -0.09 0.00 -0.94 0.00 0.00 39.48 37.56 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 1.85 -0.16 -0.81 4.37 4.64 0.23 -1.08 113.55 122.59 2dna h SER 20 Ca 0.60 -0.31 0.24 0.00 -0.47 0.00 0.00 61.79 61.85 2dna h SER 20 Cb 1.15 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2dna h SER 20 CO 1.48 0.25 0.80 0.11 -0.87 0.00 0.00 176.83 178.59 2dna h LYS 21 N -0.60 0.00 0.03 4.77 1.79 -1.81 0.43 116.57 121.18 2dna h LYS 21 Ca -0.02 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.35 2dna h LYS 21 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2dna h LYS 21 CO 0.03 0.00 -0.53 0.93 -1.08 0.00 0.00 179.45 178.80 2dna h GLU 22 N 0.00 0.06 -0.68 3.15 3.07 -1.82 -3.12 114.58 115.24 2dna h GLU 22 Ca 0.39 -0.10 0.15 0.00 -0.50 0.00 0.00 59.36 59.31 2dna h GLU 22 Cb 1.99 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.89 2dna h GLU 22 CO -0.00 1.05 0.46 0.52 -1.40 0.00 0.00 179.01 179.64 2dna h MET 23 N -0.86 0.24 -0.16 2.33 2.86 0.11 0.36 114.93 119.80 2dna h MET 23 Ca -0.13 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.31 2dna h MET 23 Cb 1.22 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 2dna h MET 23 CO -0.03 0.16 -0.67 0.93 1.06 0.00 0.00 176.91 178.36 2dna h GLU 24 N 0.25 0.63 0.23 1.72 5.08 -0.99 -2.50 114.58 119.00 2dna h GLU 24 Ca 0.33 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2dna h GLU 24 Cb 0.94 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2dna h GLU 24 CO -0.07 1.08 -0.11 0.00 -1.00 0.00 0.00 179.01 178.91 2dna h LEU 26 N -0.80 -0.54 0.15 0.00 3.38 -0.48 0.21 115.31 117.23 2dna h LEU 26 Ca -0.03 0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2dna h LEU 26 Cb 0.51 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2dna h LEU 26 CO 0.05 -0.24 -0.25 1.56 0.09 0.00 0.00 178.44 179.66 2dna h GLN 27 N 0.05 -0.45 -0.81 1.13 1.08 -1.41 0.16 115.11 114.86 2dna h GLN 27 Ca 0.43 0.03 0.20 0.00 -1.45 0.00 0.00 58.65 57.85 2dna h GLN 27 Cb 0.73 0.10 -0.14 0.00 -0.05 0.00 0.00 27.48 28.13 2dna h GLN 27 CO -0.77 -0.30 0.10 0.00 -0.95 0.00 0.00 178.83 176.91 2dna h ALA 28 N 0.27 0.99 -0.07 3.87 0.00 -0.07 1.33 119.26 125.57 2dna h ALA 28 Ca 0.02 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2dna h ALA 28 Cb 0.48 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2dna h ALA 28 CO -0.12 -0.44 -0.08 0.52 0.00 0.00 0.00 179.25 179.14 2dna h MET 29 N 0.15 0.10 0.00 0.00 2.86 -0.29 -3.46 114.93 114.29 2dna h MET 29 Ca 0.47 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2dna h MET 29 Cb 0.88 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.53 2dna h MET 29 CO -0.67 0.19 0.00 0.41 1.06 0.00 0.00 176.91 177.90 2dna n GLY 30 N -1.18 1.26 3.34 8.32 0.00 0.46 -4.99 105.19 112.40 2dna n GLY 30 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 2.15 0.27 1.61 3.72 0.44 -4.60 117.46 121.04 2dna n PHE 31 Ca 0.00 -1.57 0.15 0.00 -0.05 0.00 0.00 57.45 55.99 2dna n PHE 31 Cb 0.00 -2.08 0.66 0.00 -0.94 0.00 0.00 39.48 37.12 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 5.28 0.20 -0.32 -4.37 -1.51 -1.82 -3.23 116.25 110.47 2dna h VAL 32 Ca 0.32 -0.65 -0.13 0.00 -1.23 0.00 0.00 66.70 65.02 2dna h VAL 32 Cb 0.79 1.54 -0.03 0.00 -2.13 0.00 0.00 31.29 31.46 2dna h VAL 32 CO 1.63 0.07 0.63 -3.20 -1.23 0.00 0.00 177.57 175.47 2dna n ASN 33 N -3.22 1.00 0.03 4.19 2.85 -1.26 -4.74 115.26 114.11 2dna n ASN 33 Ca 0.00 -1.17 -0.02 0.00 -0.11 0.00 0.00 54.58 53.28 2dna n ASN 33 Cb 0.32 -1.37 -0.01 0.00 1.24 0.00 0.00 39.78 39.96 2dna n ASN 33 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 2dna h TYR 34 N 12.66 -0.10 -1.18 1.20 3.20 -1.98 0.20 116.97 130.97 2dna h TYR 34 Ca -0.00 -0.00 0.44 0.00 3.14 0.00 0.00 58.73 62.30 2dna h TYR 34 Cb 1.05 0.03 -0.16 0.00 1.54 0.00 0.00 36.73 39.20 2dna h TYR 34 CO 1.20 -0.06 0.71 -0.91 -1.64 0.00 0.00 178.16 177.46 2dna h ASN 35 N -0.29 0.27 0.20 -2.11 2.35 -1.99 0.97 115.58 114.98 2dna h ASN 35 Ca -0.01 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2dna h ASN 35 Cb 0.08 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2dna h ASN 35 CO 0.02 -0.33 -0.10 0.00 -1.65 0.00 0.00 177.43 175.37 2dna h ALA 36 N 1.80 -0.37 -0.79 -0.83 0.00 -1.94 -2.55 119.26 114.58 2dna h ALA 36 Ca 0.86 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.84 2dna h ALA 36 Cb 2.49 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 20.25 2dna h ALA 36 CO -0.61 -0.35 -0.34 -0.91 0.00 0.00 0.00 179.25 177.04 2dna h ASN 37 N -0.74 -1.21 -0.07 0.00 2.35 0.22 0.39 115.58 116.53 2dna h ASN 37 Ca -0.03 0.26 0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2dna h ASN 37 Cb 0.21 0.64 -0.04 0.00 0.05 0.00 0.00 38.32 39.18 2dna h ASN 37 CO 0.05 -0.29 -0.34 0.25 -1.65 0.00 0.00 177.43 175.44 2dna h LEU 38 N -0.07 -1.08 -0.49 1.61 6.46 0.71 0.66 115.31 123.10 2dna h LEU 38 Ca 0.30 0.13 0.09 0.00 -0.12 0.00 0.00 57.88 58.28 2dna h LEU 38 Cb 0.58 0.42 -0.10 0.00 -0.73 0.00 0.00 40.66 40.83 2dna h LEU 38 CO -0.83 -0.31 -0.38 1.56 -0.62 0.00 0.00 178.44 177.86 2dna h GLN 39 N -0.37 -0.23 -0.24 1.25 4.20 -0.59 0.19 115.11 119.31 2dna h GLN 39 Ca 0.02 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.80 2dna h GLN 39 Cb 0.43 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 2dna h GLN 39 CO -0.27 -0.16 -0.34 0.00 -0.67 0.00 0.00 178.83 177.40 2dna h ALA 40 N 0.71 -0.34 -0.12 3.87 0.00 0.43 0.98 119.26 124.79 2dna h ALA 40 Ca 0.18 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2dna h ALA 40 Cb 0.56 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2dna h ALA 40 CO -0.62 -0.79 -0.45 -0.07 0.00 0.00 0.00 179.25 177.32 2dna h LEU 41 N -0.35 -1.43 -1.42 0.00 3.38 0.20 0.88 115.31 116.57 2dna h LEU 41 Ca 0.12 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.44 2dna h LEU 41 Cb 0.56 0.56 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 2dna h LEU 41 CO -0.44 -0.40 0.58 0.40 0.09 0.00 0.00 178.44 178.67 2dna h ILE 42 N -0.48 0.74 0.00 1.22 2.04 -0.01 1.44 117.51 122.46 2dna h ILE 42 Ca 0.03 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2dna h ILE 42 Cb 0.56 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2dna h ILE 42 CO -0.37 0.09 -0.20 0.00 0.00 0.00 0.00 178.15 177.68 2dna h ALA 43 N 1.61 1.10 -0.30 1.87 0.00 0.46 -2.22 119.26 121.79 2dna h ALA 43 Ca 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2dna h ALA 43 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2dna h ALA 43 CO -0.19 0.25 0.00 0.25 0.00 0.00 0.00 179.25 179.56 2dna n THR 44 N -3.49 1.76 -3.79 0.00 -2.24 0.41 -4.95 114.28 101.99 2dna n THR 44 Ca -0.01 -1.51 -0.29 0.00 -2.27 0.00 0.00 64.05 59.97 2dna n THR 44 Cb 0.37 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.08 -3.44 -1.68 3.42 8.00 0.30 -3.48 116.55 119.59 2dna n ASP 45 Ca 0.17 -0.68 -0.00 0.00 0.71 0.00 0.00 54.79 54.99 2dna n ASP 45 Cb 0.70 -2.83 -0.00 0.00 -0.02 0.00 0.00 41.12 38.97 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 -1.26 -3.06 2.88 0.44 0.00 0.87 -4.97 105.19 100.09 2dna n GLY 46 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.24 -1.39 0.35 1.61 -1.08 -1.23 -5.01 116.67 109.69 2dna s ASP 47 Ca -0.00 -1.49 0.16 0.00 -0.52 0.00 0.00 52.55 50.69 2dna s ASP 47 Cb 0.00 1.86 1.17 0.00 -1.46 0.00 0.00 42.92 44.49 2dna s ASP 47 CO 0.12 -0.09 1.60 0.71 0.52 0.00 0.00 175.17 178.03 2dna h THR 48 N 4.99 0.08 0.14 1.71 1.35 -1.96 0.52 112.91 119.74 2dna h THR 48 Ca 0.06 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.89 2dna h THR 48 Cb 1.13 -0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 2dna h THR 48 CO 0.04 0.01 -0.21 0.78 -0.25 0.00 0.00 175.52 175.90 2dna h ASN 49 N 0.07 -0.60 -0.66 5.36 2.35 -1.98 1.31 115.58 121.43 2dna h ASN 49 Ca 0.77 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 56.66 2dna h ASN 49 Cb 1.91 0.21 -0.07 0.00 0.05 0.00 0.00 38.32 40.42 2dna h ASN 49 CO -0.76 -0.25 0.31 0.00 -1.65 0.00 0.00 177.43 175.08 2dna h ALA 50 N -1.31 0.89 0.13 -0.83 0.00 -1.20 0.64 119.26 117.59 2dna h ALA 50 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2dna h ALA 50 Cb 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2dna h ALA 50 CO -0.06 -0.09 -0.35 0.00 0.00 0.00 0.00 179.25 178.74 2dna h ALA 51 N 1.41 -0.62 0.12 0.00 0.00 0.38 0.36 119.26 120.91 2dna h ALA 51 Ca 0.32 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2dna h ALA 51 Cb 0.35 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2dna h ALA 51 CO -0.27 -0.91 -0.46 0.82 0.00 0.00 0.00 179.25 178.44 2dna h ILE 52 N -0.59 0.10 -0.53 0.00 2.04 0.25 0.59 117.51 119.38 2dna h ILE 52 Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.99 2dna h ILE 52 Cb 0.62 0.10 -0.11 0.00 -0.74 0.00 0.00 36.82 36.69 2dna h ILE 52 CO -0.20 0.00 -0.31 0.22 0.00 0.00 0.00 178.15 177.86 2dna h TYR 53 N -0.69 -0.83 0.73 1.37 3.20 -0.51 0.47 116.97 120.70 2dna h TYR 53 Ca 0.01 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2dna h TYR 53 Cb 0.71 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2dna h TYR 53 CO -0.40 -0.37 -0.47 0.87 -1.64 0.00 0.00 178.16 176.16 2dna h LYS 54 N -0.17 -1.09 -0.70 1.82 1.57 0.33 -0.92 116.57 117.41 2dna h LYS 54 Ca 0.22 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 2dna h LYS 54 Cb 0.53 0.25 -0.10 0.00 0.08 0.00 0.00 32.23 32.99 2dna h LYS 54 CO -0.62 -0.72 -0.56 -0.07 -0.57 0.00 0.00 179.45 176.90 2dna h LEU 55 N -1.13 -1.97 -0.52 2.94 3.38 0.91 0.30 115.31 119.22 2dna h LEU 55 Ca -0.10 0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.21 2dna h LEU 55 Cb 0.91 0.84 -0.08 0.00 0.09 0.00 0.00 40.66 42.43 2dna h LEU 55 CO 0.08 -0.31 -0.45 0.11 0.09 0.00 0.00 178.44 177.97 2dna h LYS 56 N -0.19 -0.17 -0.45 1.13 1.57 0.07 0.28 116.57 118.81 2dna h LYS 56 Ca 0.11 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 2dna h LYS 56 Cb 0.49 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.74 2dna h LYS 56 CO -0.75 -0.11 -0.51 0.77 -0.57 0.00 0.00 179.45 178.28 2dna h SER 57 N -0.18 -1.70 -0.40 0.86 0.02 0.38 -1.62 113.55 110.91 2dna h SER 57 Ca 0.09 0.24 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 2dna h SER 57 Cb 0.40 0.72 -0.08 0.00 0.14 0.00 0.00 62.40 63.59 2dna h SER 57 CO -0.59 -0.38 -0.50 -1.28 -1.14 0.00 0.00 176.83 172.94 2dna h SER 58 N -0.34 -1.70 0.00 3.07 0.87 0.12 -3.45 113.55 112.12 2dna h SER 58 Ca 0.11 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2dna h SER 58 Cb 0.58 0.70 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dna h SER 58 CO -0.62 -0.35 0.00 1.67 -0.53 0.00 0.00 176.83 177.00 2dna n GLN 59 N -5.09 0.00 -1.49 2.24 7.27 0.83 -5.10 117.38 116.04 2dna n GLN 59 Ca -0.03 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.10 2dna n GLN 59 Cb 0.30 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.92 2dna n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2dna n GLY 60 N -1.50 -3.81 3.67 1.69 0.00 -0.90 -4.75 105.19 99.60 2dna n GLY 60 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2dna n GLY 60 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dna s PHE 61 N -4.99 2.04 -0.35 1.61 5.36 -1.26 -4.98 117.98 115.41 2dna s PHE 61 Ca 0.00 1.36 0.01 0.00 -0.96 0.00 0.00 56.93 57.34 2dna s PHE 61 Cb 0.00 -3.17 0.14 0.00 -0.34 0.00 0.00 43.02 39.65 2dna s PHE 61 CO 0.00 -2.69 0.24 0.45 -1.46 0.00 0.00 175.22 171.76 2dna s SER 62 N -3.12 2.64 0.00 6.13 0.15 -1.26 -5.03 113.70 113.21 2dna s SER 62 Ca 0.65 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 55.22 2dna s SER 62 Cb -0.20 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2dna s SER 62 CO 0.58 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2dna n GLY 63 N 4.08 -0.12 3.72 9.45 0.00 -1.26 -5.14 105.19 115.92 2dna n GLY 63 Ca 0.12 0.58 -0.42 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 4.46 -0.03 1.61 0.04 -1.26 -4.97 135.00 134.86 2dna s PRO 64 Ca 0.00 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 2dna s PRO 64 Cb 0.00 -3.35 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 2dna s PRO 64 CO 0.00 -0.20 0.76 1.03 0.04 0.00 0.00 177.00 178.63 2dna h SER 65 N 6.59 -0.50 -4.05 6.66 0.87 -2.00 -3.50 113.55 117.62 2dna h SER 65 Ca -0.42 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2dna h SER 65 Cb 1.21 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2dna h SER 65 CO 0.79 -0.07 -0.71 -0.24 -0.53 0.00 0.00 176.83 176.08 2dna n SER 66 N -5.17 -6.88 0.00 6.23 2.88 -1.26 -5.33 113.62 104.09 2dna n SER 66 Ca -0.08 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2dna n SER 66 Cb 0.25 -3.51 0.00 0.00 -0.75 0.00 0.00 64.21 60.21 2dna n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42