#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dna s SER 2 N 0.00 -0.58 0.06 1.61 0.01 -1.26 -5.18 113.70 108.36 2dna s SER 2 Ca 0.00 0.48 -0.01 0.00 1.31 0.00 0.00 55.95 57.74 2dna s SER 2 Cb 0.00 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 2dna s SER 2 CO 0.00 -0.67 -0.04 -0.55 0.41 0.00 0.00 173.24 172.40 2dna s SER 3 N -1.55 0.58 0.00 2.44 0.15 -1.26 -5.16 113.70 108.90 2dna s SER 3 Ca -0.09 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2dna s SER 3 Cb -0.01 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2dna s SER 3 CO 0.04 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2dna n GLY 4 N 0.11 3.54 3.92 9.45 0.00 -1.26 -5.17 105.19 115.79 2dna n GLY 4 Ca -0.14 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 2dna n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dna s SER 5 N 1.79 4.72 -0.04 1.61 0.01 -1.26 -5.05 113.70 115.48 2dna s SER 5 Ca 0.00 0.55 -0.07 0.00 1.31 0.00 0.00 55.95 57.73 2dna s SER 5 Cb 0.00 -1.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 2dna s SER 5 CO 0.00 -1.69 -0.15 -0.24 0.41 0.00 0.00 173.24 171.57 2dna n SER 6 N -3.04 1.36 -1.04 2.44 2.88 -1.26 -5.01 113.62 109.96 2dna n SER 6 Ca 0.08 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2dna n SER 6 Cb 0.61 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2dna n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dna n GLY 7 N 2.55 -1.99 3.78 0.46 0.00 -1.26 -5.02 105.19 103.71 2dna n GLY 7 Ca -0.09 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.45 1.03 0.00 1.61 0.04 -1.26 -5.08 135.00 130.89 2dna s PRO 8 Ca 0.00 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2dna s PRO 8 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2dna s PRO 8 CO 0.00 -2.26 0.00 0.43 0.04 0.00 0.00 177.00 175.21 2dna n SER 9 N -3.80 0.00 -3.27 6.66 7.64 -1.26 -5.12 113.62 114.46 2dna n SER 9 Ca 0.07 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 2dna n SER 9 Cb 0.59 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 2dna n SER 9 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2dna s HIS 10 N -2.00 -0.67 0.10 1.43 -3.43 -1.26 -5.13 115.29 104.33 2dna s HIS 10 Ca 0.00 -0.65 -0.26 0.00 -0.80 0.00 0.00 55.06 53.34 2dna s HIS 10 Cb 0.00 -0.20 0.08 0.00 -1.43 0.00 0.00 32.58 31.04 2dna s HIS 10 CO 0.00 -1.04 1.08 -1.12 -2.00 0.00 0.00 174.74 171.66 2dna s SER 11 N 1.37 -0.12 -0.59 7.38 0.01 -1.26 -5.11 113.70 115.39 2dna s SER 11 Ca 0.19 -0.34 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 2dna s SER 11 Cb -0.10 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.58 2dna s SER 11 CO -0.05 -0.71 0.84 -0.76 0.41 0.00 0.00 173.24 172.98 2dna s LEU 12 N -3.02 4.59 0.05 2.44 1.43 -1.26 -5.00 118.68 117.91 2dna s LEU 12 Ca 0.14 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2dna s LEU 12 Cb 0.01 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2dna s LEU 12 CO 0.01 -1.22 -0.03 -1.58 0.23 0.00 0.00 176.35 173.76 2dna s GLN 13 N 3.51 0.58 0.72 1.70 0.74 -1.26 -5.14 119.66 120.51 2dna s GLN 13 Ca 0.21 -1.16 -0.16 0.00 0.05 0.00 0.00 55.36 54.30 2dna s GLN 13 Cb -0.17 0.19 -0.06 0.00 1.10 0.00 0.00 33.01 34.07 2dna s GLN 13 CO 0.12 -0.10 0.38 0.00 -0.55 0.00 0.00 175.29 175.14 2dna n ALA 14 N 0.27 -1.94 0.02 1.58 0.00 -1.26 -4.82 120.51 114.36 2dna n ALA 14 Ca -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 2dna n ALA 14 Cb 0.60 -1.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.40 -0.05 -1.00 0.00 0.13 -2.00 -1.82 132.00 126.87 2dna h PRO 15 Ca -0.45 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.05 2dna h PRO 15 Cb 1.36 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.32 2dna h PRO 15 CO 0.41 -0.04 0.37 1.05 -0.23 0.00 0.00 178.00 179.56 2dna h GLU 16 N -0.17 0.02 -0.22 0.86 4.11 -1.93 1.56 114.58 118.80 2dna h GLU 16 Ca -0.01 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2dna h GLU 16 Cb 0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2dna h GLU 16 CO 0.01 0.01 0.00 0.28 0.07 0.00 0.00 179.01 179.38 2dna h VAL 17 N 0.02 1.25 0.63 -1.06 2.07 -1.95 -1.58 116.25 115.63 2dna h VAL 17 Ca 0.76 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2dna h VAL 17 Cb 1.88 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2dna h VAL 17 CO -0.82 0.27 -0.48 -0.09 0.02 0.00 0.00 177.57 176.48 2dna h ARG 18 N 0.16 -1.02 -2.29 1.57 2.43 0.30 -3.11 114.38 112.41 2dna h ARG 18 Ca 0.06 0.07 -0.80 0.00 -0.81 0.00 0.00 59.98 58.50 2dna h ARG 18 Cb 0.39 0.23 -0.26 0.00 -0.42 0.00 0.00 29.97 29.92 2dna h ARG 18 CO 0.01 -0.68 1.14 1.19 -1.51 0.00 0.00 179.97 180.12 2dna n PHE 19 N -5.40 2.75 -0.09 2.20 3.72 0.67 -4.63 117.46 116.68 2dna n PHE 19 Ca -0.13 -2.58 -0.13 0.00 -0.05 0.00 0.00 57.45 54.56 2dna n PHE 19 Cb 0.46 -1.25 -0.06 0.00 -0.94 0.00 0.00 39.48 37.69 2dna n PHE 19 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2dna n SER 20 N 0.10 1.83 -0.35 4.37 3.41 -0.60 -3.55 113.62 118.84 2dna n SER 20 Ca 0.48 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.63 2dna n SER 20 Cb 0.26 -0.92 0.07 0.00 -0.26 0.00 0.00 64.21 63.37 2dna n SER 20 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2dna h LYS 21 N -1.00 -0.02 0.20 4.33 1.57 -1.84 0.32 116.57 120.14 2dna h LYS 21 Ca -0.18 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2dna h LYS 21 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2dna h LYS 21 CO -0.11 -0.01 -0.35 0.93 -0.57 0.00 0.00 179.45 179.34 2dna h GLU 22 N -0.02 -0.61 -0.88 3.15 3.07 -1.92 -1.53 114.58 115.83 2dna h GLU 22 Ca 0.38 0.04 0.24 0.00 -0.50 0.00 0.00 59.36 59.52 2dna h GLU 22 Cb 0.63 0.14 -0.14 0.00 -0.84 0.00 0.00 28.75 28.54 2dna h GLU 22 CO -0.95 -0.41 0.27 0.52 -1.40 0.00 0.00 179.01 177.03 2dna h MET 23 N -0.64 0.22 -0.46 2.33 2.86 -0.53 1.09 114.93 119.81 2dna h MET 23 Ca 0.01 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2dna h MET 23 Cb 0.63 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2dna h MET 23 CO -0.16 0.15 0.18 0.93 1.06 0.00 0.00 176.91 179.08 2dna h GLU 24 N 0.23 0.66 -0.09 1.72 4.39 -0.12 -0.37 114.58 121.00 2dna h GLU 24 Ca 0.56 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 60.00 2dna h GLU 24 Cb 1.13 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2dna h GLU 24 CO -0.64 0.55 -0.66 0.00 -1.16 0.00 0.00 179.01 177.09 2dna h LEU 26 N 0.26 -0.72 -0.61 0.00 3.38 0.86 -2.86 115.31 115.63 2dna h LEU 26 Ca -0.02 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.06 2dna h LEU 26 Cb 1.21 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 42.03 2dna h LEU 26 CO 0.11 -0.44 -0.26 1.56 0.09 0.00 0.00 178.44 179.50 2dna h GLN 27 N -0.95 -0.10 -0.82 1.13 1.08 -1.12 0.42 115.11 114.75 2dna h GLN 27 Ca -0.09 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.24 2dna h GLN 27 Cb 0.68 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 28.00 2dna h GLN 27 CO 0.14 -0.07 -0.44 0.00 -0.95 0.00 0.00 178.83 177.52 2dna h ALA 28 N 1.27 -0.15 -0.63 3.87 0.00 -1.39 1.43 119.26 123.66 2dna h ALA 28 Ca 0.27 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.47 2dna h ALA 28 Cb 0.53 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2dna h ALA 28 CO -0.67 -0.76 0.42 0.52 0.00 0.00 0.00 179.25 178.76 2dna h MET 29 N -0.09 0.37 0.00 0.00 2.86 -0.73 -3.45 114.93 113.89 2dna h MET 29 Ca 0.25 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2dna h MET 29 Cb 0.55 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2dna h MET 29 CO -0.85 0.24 0.00 0.41 1.06 0.00 0.00 176.91 177.77 2dna n GLY 30 N -1.53 1.07 3.35 8.32 0.00 0.49 -5.04 105.19 111.85 2dna n GLY 30 Ca 0.11 0.00 -0.37 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 1.68 -0.22 1.61 3.72 -0.78 -4.62 117.46 118.85 2dna n PHE 31 Ca 0.00 -1.33 -0.09 0.00 -0.05 0.00 0.00 57.45 55.99 2dna n PHE 31 Cb 0.00 -1.87 0.03 0.00 -0.94 0.00 0.00 39.48 36.70 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 5.24 1.27 -0.07 -4.37 -1.51 -1.83 -3.22 116.25 111.76 2dna h VAL 32 Ca 0.30 -1.10 -0.46 0.00 -1.23 0.00 0.00 66.70 64.20 2dna h VAL 32 Cb 0.78 0.73 -0.09 0.00 -2.13 0.00 0.00 31.29 30.58 2dna h VAL 32 CO 1.69 0.41 1.79 0.59 -1.23 0.00 0.00 177.57 180.82 2dna n ASN 33 N -4.20 0.02 -0.04 4.19 3.02 -1.26 -4.74 115.26 112.24 2dna n ASN 33 Ca 0.03 -0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.56 2dna n ASN 33 Cb 0.32 -0.87 -0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2dna n ASN 33 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2dna h TYR 34 N 12.10 0.00 -0.88 3.10 3.20 -1.98 -1.07 116.97 131.44 2dna h TYR 34 Ca -0.04 0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.09 2dna h TYR 34 Cb 1.27 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 2dna h TYR 34 CO 1.15 0.00 0.90 -0.91 -1.64 0.00 0.00 178.16 177.66 2dna h ASN 35 N -0.77 0.00 0.00 -2.11 2.35 -1.99 0.49 115.58 113.55 2dna h ASN 35 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2dna h ASN 35 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2dna h ASN 35 CO 0.00 0.00 -0.09 0.00 -1.65 0.00 0.00 177.43 175.69 2dna h ALA 36 N 1.02 0.00 -0.87 -0.83 0.00 -1.93 -3.09 119.26 113.56 2dna h ALA 36 Ca 0.42 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.31 2dna h ALA 36 Cb 2.22 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.95 2dna h ALA 36 CO -0.00 0.09 -0.37 -0.91 0.00 0.00 0.00 179.25 178.06 2dna h ASN 37 N -0.39 -1.33 -0.01 0.00 2.35 0.20 0.35 115.58 116.75 2dna h ASN 37 Ca 0.00 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2dna h ASN 37 Cb 0.09 0.69 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2dna h ASN 37 CO 0.00 -0.29 -0.10 0.25 -1.65 0.00 0.00 177.43 175.64 2dna h LEU 38 N -0.05 -0.30 -1.39 1.61 6.46 -0.27 0.49 115.31 121.86 2dna h LEU 38 Ca 0.31 0.03 0.47 0.00 -0.12 0.00 0.00 57.88 58.58 2dna h LEU 38 Cb 0.59 0.12 -0.13 0.00 -0.73 0.00 0.00 40.66 40.51 2dna h LEU 38 CO -0.89 -0.09 0.91 0.00 -0.62 0.00 0.00 178.44 177.74 2dna n GLN 39 N -3.05 -0.03 0.07 1.25 1.13 -0.35 0.14 117.38 116.54 2dna n GLN 39 Ca -0.01 1.18 -0.11 0.00 -1.94 0.00 0.00 57.00 56.11 2dna n GLN 39 Cb 0.07 -2.37 -0.08 0.00 0.11 0.00 0.00 30.24 27.98 2dna n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dna h ALA 40 N 1.45 -0.23 -0.21 -1.58 0.00 0.12 -2.24 119.26 116.57 2dna h ALA 40 Ca 0.85 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.58 2dna h ALA 40 Cb 2.82 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 20.63 2dna h ALA 40 CO -0.40 -0.34 -0.45 -0.07 0.00 0.00 0.00 179.25 178.00 2dna h LEU 41 N -0.82 -1.43 -0.91 0.00 3.38 0.59 0.40 115.31 116.52 2dna h LEU 41 Ca -0.02 0.19 0.20 0.00 0.09 0.00 0.00 57.88 58.34 2dna h LEU 41 Cb 0.52 0.59 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 2dna h LEU 41 CO 0.04 -0.42 0.47 0.40 0.09 0.00 0.00 178.44 179.01 2dna h ILE 42 N -0.47 0.59 0.00 1.22 2.04 -0.92 1.73 117.51 121.71 2dna h ILE 42 Ca 0.08 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2dna h ILE 42 Cb 0.63 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2dna h ILE 42 CO -0.45 0.10 -0.20 0.00 0.00 0.00 0.00 178.15 177.60 2dna h ALA 43 N 1.66 1.45 -0.33 1.87 0.00 0.04 -1.56 119.26 122.40 2dna h ALA 43 Ca 0.55 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2dna h ALA 43 Cb 0.95 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2dna h ALA 43 CO -0.45 0.25 0.01 0.25 0.00 0.00 0.00 179.25 179.31 2dna n THR 44 N -3.99 2.40 -4.32 0.00 -2.24 0.49 -4.94 114.28 101.69 2dna n THR 44 Ca -0.02 -1.92 -0.38 0.00 -2.27 0.00 0.00 64.05 59.46 2dna n THR 44 Cb 0.28 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.47 -1.85 -0.91 3.42 8.00 0.43 -3.23 116.55 121.93 2dna n ASP 45 Ca 0.25 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2dna n ASP 45 Cb 0.97 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 -1.02 -1.28 3.28 0.44 0.00 0.11 -4.96 105.19 101.76 2dna n GLY 46 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.19 -0.53 -0.08 1.61 -1.08 -1.20 -5.05 116.67 110.15 2dna s ASP 47 Ca 0.00 0.98 -0.23 0.00 -0.52 0.00 0.00 52.55 52.78 2dna s ASP 47 Cb 0.00 1.65 -0.19 0.00 -1.46 0.00 0.00 42.92 42.91 2dna s ASP 47 CO 0.00 -0.24 0.85 0.71 0.52 0.00 0.00 175.17 177.01 2dna h THR 48 N 6.11 1.26 -0.09 1.71 1.35 -1.96 -1.63 112.91 119.65 2dna h THR 48 Ca -0.18 -1.59 0.01 0.00 -0.55 0.00 0.00 66.41 64.11 2dna h THR 48 Cb 1.12 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 69.74 2dna h THR 48 CO 0.16 0.37 -0.20 0.78 -0.25 0.00 0.00 175.52 176.38 2dna h ASN 49 N -0.84 -0.66 -0.57 5.36 4.21 -1.98 1.40 115.58 122.50 2dna h ASN 49 Ca -0.01 0.08 0.11 0.00 1.21 0.00 0.00 56.30 57.69 2dna h ASN 49 Cb 0.65 0.26 -0.08 0.00 -1.12 0.00 0.00 38.32 38.03 2dna h ASN 49 CO 0.01 -0.16 0.11 0.00 -1.29 0.00 0.00 177.43 176.09 2dna h ALA 50 N -0.94 0.66 0.04 -0.83 0.00 -1.99 0.18 119.26 116.38 2dna h ALA 50 Ca 0.02 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2dna h ALA 50 Cb 0.23 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2dna h ALA 50 CO -0.19 -0.32 -0.43 0.00 0.00 0.00 0.00 179.25 178.32 2dna h ALA 51 N 1.46 -0.73 0.12 0.00 0.00 -0.17 0.19 119.26 120.13 2dna h ALA 51 Ca 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dna h ALA 51 Cb 0.44 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dna h ALA 51 CO -0.39 -0.98 -0.20 0.82 0.00 0.00 0.00 179.25 178.50 2dna h ILE 52 N -0.62 0.00 -0.89 0.00 2.04 0.29 0.30 117.51 118.63 2dna h ILE 52 Ca 0.03 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.12 2dna h ILE 52 Cb 0.67 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.58 2dna h ILE 52 CO -0.29 0.00 -0.07 -1.22 0.00 0.00 0.00 178.15 176.57 2dna n TYR 53 N -3.53 0.48 0.47 1.37 4.01 0.53 0.69 117.16 121.17 2dna n TYR 53 Ca -0.04 1.08 -0.19 0.00 -0.16 0.00 0.00 57.90 58.60 2dna n TYR 53 Cb 0.16 -1.12 -0.09 0.00 -0.31 0.00 0.00 39.34 37.99 2dna n TYR 53 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2dna h LYS 54 N 0.00 -1.15 -0.53 -0.72 1.57 0.07 -0.99 116.57 114.82 2dna h LYS 54 Ca 0.50 0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.45 2dna h LYS 54 Cb 0.95 0.26 -0.11 0.00 0.08 0.00 0.00 32.23 33.42 2dna h LYS 54 CO -0.87 -0.76 -0.36 -0.07 -0.57 0.00 0.00 179.45 176.82 2dna h LEU 55 N -1.30 -1.22 -0.29 2.94 3.38 0.34 0.12 115.31 119.28 2dna h LEU 55 Ca -0.12 0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2dna h LEU 55 Cb 0.92 0.58 -0.07 0.00 0.09 0.00 0.00 40.66 42.17 2dna h LEU 55 CO 0.20 -0.32 -0.55 0.11 0.09 0.00 0.00 178.44 177.97 2dna h LYS 56 N -0.21 -0.46 -0.42 1.13 1.57 0.34 -1.54 116.57 116.98 2dna h LYS 56 Ca 0.20 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.08 2dna h LYS 56 Cb 0.55 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 2dna h LYS 56 CO -0.64 -0.30 -0.48 0.77 -0.57 0.00 0.00 179.45 178.22 2dna h SER 57 N -0.47 -1.61 -1.88 0.86 0.02 0.27 -3.36 113.55 107.37 2dna h SER 57 Ca 0.05 0.23 -0.58 0.00 -0.84 0.00 0.00 61.79 60.65 2dna h SER 57 Cb 0.63 0.69 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 2dna h SER 57 CO -0.52 -0.38 1.51 -1.20 -1.14 0.00 0.00 176.83 175.09 2dna n SER 58 N -5.40 3.09 -3.29 3.07 7.64 0.28 -4.89 113.62 114.12 2dna n SER 58 Ca -0.02 0.14 -0.08 0.00 1.01 0.00 0.00 58.87 59.93 2dna n SER 58 Cb 0.35 -1.54 -0.05 0.00 -1.01 0.00 0.00 64.21 61.95 2dna n SER 58 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2dna s GLN 59 N 6.55 0.45 0.00 1.43 -1.52 -1.26 -4.85 119.66 120.46 2dna s GLN 59 Ca 1.01 0.09 0.00 0.00 -1.95 0.00 0.00 55.36 54.52 2dna s GLN 59 Cb -0.35 -0.27 0.00 0.00 -0.22 0.00 0.00 33.01 32.16 2dna s GLN 59 CO 0.35 -1.05 0.00 0.41 -0.25 0.00 0.00 175.29 174.75 2dna n GLY 60 N 5.27 0.15 3.35 3.09 0.00 -1.26 -5.09 105.19 110.69 2dna n GLY 60 Ca 0.02 0.09 -0.55 0.00 0.00 0.00 0.00 46.02 45.59 2dna n GLY 60 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dna n PHE 61 N 0.00 1.28 -3.76 1.61 3.01 -1.26 -4.88 117.46 113.46 2dna n PHE 61 Ca 0.00 0.54 -0.10 0.00 1.01 0.00 0.00 57.45 58.90 2dna n PHE 61 Cb 0.00 -2.39 -0.07 0.00 -0.01 0.00 0.00 39.48 37.01 2dna n PHE 61 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2dna s SER 62 N 6.85 -0.05 0.00 4.37 0.01 -1.26 -5.17 113.70 118.45 2dna s SER 62 Ca 1.17 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2dna s SER 62 Cb -1.21 0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2dna s SER 62 CO 0.58 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2dna n GLY 63 N 0.12 3.21 2.60 3.44 0.00 -1.26 -5.00 105.19 108.29 2dna n GLY 63 Ca -0.17 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2dna n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dna n PRO 64 N -0.98 2.61 -3.69 1.61 -0.04 -1.26 -4.74 135.00 128.51 2dna n PRO 64 Ca 0.00 -1.89 -0.10 0.00 -0.04 0.00 0.00 63.50 61.47 2dna n PRO 64 Cb 0.00 -2.73 -0.10 0.00 -0.04 0.00 0.00 33.50 30.62 2dna n PRO 64 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dna s SER 65 N 3.23 -0.53 0.16 3.54 1.04 -1.26 -5.15 113.70 114.72 2dna s SER 65 Ca 0.52 0.96 -0.29 0.00 0.48 0.00 0.00 55.95 57.62 2dna s SER 65 Cb 0.14 0.87 -0.07 0.00 0.10 0.00 0.00 66.02 67.06 2dna s SER 65 CO -0.03 -0.20 0.90 -0.55 0.98 0.00 0.00 173.24 174.34 2dna s SER 66 N 1.53 7.50 0.00 7.02 0.15 -1.26 -5.11 113.70 123.52 2dna s SER 66 Ca -0.09 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2dna s SER 66 Cb -0.08 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dna s SER 66 CO -0.13 0.08 0.17 0.61 1.20 0.00 0.00 173.24 175.16