#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 -0.28 0.15 1.61 0.15 -1.26 -5.06 113.70 109.00 2dna s SER 2 Ca 0.00 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2dna s SER 2 Cb 0.00 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 2dna s SER 2 CO 0.00 -0.06 0.00 -0.24 1.20 0.00 0.00 173.24 174.14 2dna n SER 3 N 4.48 -1.32 0.00 5.45 2.88 -1.26 -5.16 113.62 118.69 2dna n SER 3 Ca -0.09 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2dna n SER 3 Cb 0.55 1.53 0.00 0.00 -0.75 0.00 0.00 64.21 65.53 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 -1.17 2.97 3.66 0.46 0.00 -1.26 -5.17 105.19 104.68 2dna n GLY 4 Ca 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -0.26 0.63 1.61 0.01 -1.26 -5.15 113.70 109.28 2dna s SER 5 Ca 0.00 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.52 2dna s SER 5 Cb 0.00 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.84 2dna s SER 5 CO 0.00 -1.18 1.08 -1.54 0.41 0.00 0.00 173.24 172.02 2dna n SER 6 N -0.40 1.22 -3.52 2.44 3.41 -1.26 -5.00 113.62 110.51 2dna n SER 6 Ca -0.07 0.80 -0.29 0.00 -0.26 0.00 0.00 58.87 59.05 2dna n SER 6 Cb 0.61 -1.45 -0.13 0.00 -0.26 0.00 0.00 64.21 62.98 2dna n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dna s GLY 7 N -1.33 0.92 0.34 5.00 0.00 -1.26 -5.13 107.32 105.87 2dna s GLY 7 Ca 0.79 -1.84 -0.27 0.00 0.00 0.00 0.00 44.72 43.41 2dna s GLY 7 CO 0.44 1.99 1.07 2.56 0.00 0.00 0.00 173.10 179.16 2dna s PRO 8 N 1.15 4.41 -0.13 2.90 0.04 -1.26 -4.99 135.00 137.12 2dna s PRO 8 Ca 0.16 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 2dna s PRO 8 Cb -0.22 -2.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 2dna s PRO 8 CO -0.06 0.05 0.04 0.77 0.04 0.00 0.00 177.00 177.83 2dna h SER 9 N 3.16 0.00 -2.82 6.66 0.02 -2.06 -3.45 113.55 115.06 2dna h SER 9 Ca -0.47 -0.15 -0.54 0.00 -0.84 0.00 0.00 61.79 59.78 2dna h SER 9 Cb 1.21 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.35 2dna h SER 9 CO 0.65 0.73 -0.78 -1.38 -1.14 0.00 0.00 176.83 174.90 2dna s HIS 10 N -1.93 0.54 0.11 3.45 -3.43 -1.26 -5.12 115.29 107.65 2dna s HIS 10 Ca -0.10 -1.07 -0.15 0.00 -0.80 0.00 0.00 55.06 52.94 2dna s HIS 10 Cb 0.01 -1.01 0.03 0.00 -1.43 0.00 0.00 32.58 30.18 2dna s HIS 10 CO 0.20 -0.84 0.37 -1.12 -2.00 0.00 0.00 174.74 171.35 2dna s SER 11 N 1.92 -0.19 0.15 7.38 0.01 -1.26 -5.18 113.70 116.53 2dna s SER 11 Ca 0.10 -0.33 0.08 0.00 1.31 0.00 0.00 55.95 57.12 2dna s SER 11 Cb -0.17 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 2dna s SER 11 CO -0.31 -0.81 -0.19 -0.22 0.41 0.00 0.00 173.24 172.12 2dna s LEU 12 N -2.72 2.41 -0.04 2.44 0.20 -1.26 -5.13 118.68 114.59 2dna s LEU 12 Ca 0.02 -0.82 -0.20 0.00 0.69 0.00 0.00 54.13 53.82 2dna s LEU 12 Cb 0.02 -0.83 0.04 0.00 -0.43 0.00 0.00 46.19 44.99 2dna s LEU 12 CO -0.11 -0.02 0.44 -1.58 -0.29 0.00 0.00 176.35 174.80 2dna s GLN 13 N -2.61 0.79 0.77 1.98 0.74 -1.26 -5.15 119.66 114.92 2dna s GLN 13 Ca 0.14 0.01 -0.16 0.00 0.05 0.00 0.00 55.36 55.40 2dna s GLN 13 Cb -0.07 0.36 -0.06 0.00 1.10 0.00 0.00 33.01 34.34 2dna s GLN 13 CO 0.06 -0.22 0.18 0.00 -0.55 0.00 0.00 175.29 174.76 2dna n ALA 14 N 1.25 -2.60 0.04 1.58 0.00 -1.26 -4.79 120.51 114.74 2dna n ALA 14 Ca -0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 2dna n ALA 14 Cb 0.56 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.59 -0.13 -1.18 0.00 0.13 -1.98 -1.34 132.00 126.91 2dna h PRO 15 Ca -0.44 0.01 0.34 0.00 -0.87 0.00 0.00 66.00 65.03 2dna h PRO 15 Cb 1.35 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.41 2dna h PRO 15 CO 0.38 -0.08 0.78 1.05 -0.23 0.00 0.00 178.00 179.89 2dna h GLU 16 N -0.41 0.22 -0.11 0.86 4.11 -1.91 1.79 114.58 119.13 2dna h GLU 16 Ca -0.01 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.21 2dna h GLU 16 Cb 0.10 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2dna h GLU 16 CO 0.02 0.14 -0.73 0.28 0.07 0.00 0.00 179.01 178.79 2dna h VAL 17 N 0.22 1.35 -0.03 -1.06 2.07 -1.94 0.59 116.25 117.45 2dna h VAL 17 Ca 0.67 -2.07 -0.20 0.00 0.82 0.00 0.00 66.70 65.91 2dna h VAL 17 Cb 2.02 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 33.86 2dna h VAL 17 CO -0.27 0.63 -0.76 -0.09 0.02 0.00 0.00 177.57 177.10 2dna h ARG 18 N 0.36 0.57 -0.75 1.57 2.43 0.32 -3.26 114.38 115.62 2dna h ARG 18 Ca -0.03 -0.57 -0.41 0.00 -0.81 0.00 0.00 59.98 58.15 2dna h ARG 18 Cb 1.32 0.15 -0.24 0.00 -0.42 0.00 0.00 29.97 30.78 2dna h ARG 18 CO 0.13 1.19 0.36 1.19 -1.51 0.00 0.00 179.97 181.33 2dna n PHE 19 N -4.06 2.35 -0.01 2.20 3.72 0.49 -4.59 117.46 117.56 2dna n PHE 19 Ca -0.10 -1.88 -0.13 0.00 -0.05 0.00 0.00 57.45 55.29 2dna n PHE 19 Cb 0.74 -0.81 -0.08 0.00 -0.94 0.00 0.00 39.48 38.39 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 1.13 0.05 -0.67 4.37 4.64 0.15 0.12 113.55 123.35 2dna h SER 20 Ca 0.48 -0.33 0.19 0.00 -0.47 0.00 0.00 61.79 61.66 2dna h SER 20 Cb 2.21 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 64.26 2dna h SER 20 CO 0.88 0.37 0.53 0.11 -0.87 0.00 0.00 176.83 177.86 2dna h LYS 21 N -0.26 0.00 0.00 4.77 1.57 -1.82 -0.21 116.57 120.61 2dna h LYS 21 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2dna h LYS 21 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2dna h LYS 21 CO 0.00 0.00 -0.03 0.93 -0.57 0.00 0.00 179.45 179.78 2dna h GLU 22 N 0.00 0.00 -1.12 3.15 3.07 -1.78 -2.92 114.58 114.97 2dna h GLU 22 Ca 0.32 0.00 0.32 0.00 -0.50 0.00 0.00 59.36 59.50 2dna h GLU 22 Cb 1.38 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 29.19 2dna h GLU 22 CO -0.00 0.95 0.72 0.52 -1.40 0.00 0.00 179.01 179.79 2dna h MET 23 N -1.00 0.28 0.06 2.33 2.86 0.76 0.57 114.93 120.80 2dna h MET 23 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2dna h MET 23 Cb 0.95 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2dna h MET 23 CO -0.01 0.19 -0.03 0.93 1.06 0.00 0.00 176.91 179.05 2dna h GLU 24 N 0.29 -0.08 -0.68 1.72 4.39 -1.39 -1.73 114.58 117.10 2dna h GLU 24 Ca 0.67 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.51 2dna h GLU 24 Cb 1.85 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.48 2dna h GLU 24 CO -0.34 0.49 0.46 0.00 -1.16 0.00 0.00 179.01 178.46 2dna h LEU 26 N 0.36 -0.12 -0.66 0.00 3.38 0.08 -3.13 115.31 115.22 2dna h LEU 26 Ca 0.33 -0.30 0.13 0.00 0.09 0.00 0.00 57.88 58.13 2dna h LEU 26 Cb 0.78 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 2dna h LEU 26 CO -0.09 0.25 -0.17 1.56 0.09 0.00 0.00 178.44 180.08 2dna h GLN 27 N -0.51 -0.01 -0.68 1.13 1.08 -0.14 0.96 115.11 116.94 2dna h GLN 27 Ca -0.01 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.30 2dna h GLN 27 Cb 0.41 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.72 2dna h GLN 27 CO 0.02 -0.00 -0.35 0.00 -0.95 0.00 0.00 178.83 177.55 2dna h ALA 28 N 1.65 -0.00 -0.66 3.87 0.00 -1.29 1.06 119.26 123.89 2dna h ALA 28 Ca 0.32 0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.54 2dna h ALA 28 Cb 0.49 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 2dna h ALA 28 CO -0.69 -0.67 0.44 0.52 0.00 0.00 0.00 179.25 178.86 2dna h MET 29 N -0.13 0.35 0.00 0.00 2.86 -0.80 -3.45 114.93 113.77 2dna h MET 29 Ca 0.26 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2dna h MET 29 Cb 0.56 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2dna h MET 29 CO -0.75 0.23 0.00 0.41 1.06 0.00 0.00 176.91 177.87 2dna n GLY 30 N -1.53 1.08 3.41 8.32 0.00 0.37 -5.04 105.19 111.79 2dna n GLY 30 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 2.18 0.14 1.61 3.72 -0.96 -4.60 117.46 119.54 2dna n PHE 31 Ca 0.00 -1.46 -0.01 0.00 -0.05 0.00 0.00 57.45 55.93 2dna n PHE 31 Cb 0.00 -2.20 0.17 0.00 -0.94 0.00 0.00 39.48 36.51 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 5.53 1.42 -0.41 -4.37 -1.51 -1.84 -3.26 116.25 111.81 2dna h VAL 32 Ca 0.28 -2.12 -0.35 0.00 -1.23 0.00 0.00 66.70 63.28 2dna h VAL 32 Cb 0.83 2.15 -0.06 0.00 -2.13 0.00 0.00 31.29 32.09 2dna h VAL 32 CO 1.52 0.60 1.46 0.59 -1.23 0.00 0.00 177.57 180.51 2dna n ASN 33 N -3.78 0.54 0.11 4.19 4.13 -1.26 -4.76 115.26 114.43 2dna n ASN 33 Ca -0.01 -0.52 -0.05 0.00 1.68 0.00 0.00 54.58 55.68 2dna n ASN 33 Cb 0.62 -1.11 -0.02 0.00 -1.54 0.00 0.00 39.78 37.73 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 13.51 -0.31 -0.99 3.10 3.20 -1.98 -1.61 116.97 131.89 2dna h TYR 34 Ca -0.06 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.92 2dna h TYR 34 Cb 1.19 0.10 -0.14 0.00 1.54 0.00 0.00 36.73 39.42 2dna h TYR 34 CO 1.16 -0.19 -0.50 0.09 -1.64 0.00 0.00 178.16 177.08 2dna n ASN 35 N -3.84 -0.88 0.10 -2.11 3.02 -1.26 0.16 115.26 110.45 2dna n ASN 35 Ca -0.04 1.75 -0.09 0.00 -0.03 0.00 0.00 54.58 56.17 2dna n ASN 35 Cb 0.13 -0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 2dna n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dna h ALA 36 N 0.86 -0.86 -0.54 5.41 0.00 -1.96 0.61 119.26 122.77 2dna h ALA 36 Ca 0.24 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2dna h ALA 36 Cb 0.48 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2dna h ALA 36 CO -0.96 -0.91 -0.53 -0.91 0.00 0.00 0.00 179.25 175.95 2dna h ASN 37 N -0.46 -1.81 -0.95 0.00 2.35 0.01 0.73 115.58 115.44 2dna h ASN 37 Ca -0.02 0.25 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 2dna h ASN 37 Cb 0.43 0.76 -0.12 0.00 0.05 0.00 0.00 38.32 39.44 2dna h ASN 37 CO -0.11 -0.32 -0.55 0.25 -1.65 0.00 0.00 177.43 175.05 2dna h LEU 38 N -0.26 -2.02 0.12 1.61 6.46 0.19 1.42 115.31 122.82 2dna h LEU 38 Ca 0.09 0.32 0.02 0.00 -0.12 0.00 0.00 57.88 58.19 2dna h LEU 38 Cb 0.50 0.91 -0.03 0.00 -0.73 0.00 0.00 40.66 41.30 2dna h LEU 38 CO -0.65 -0.25 -0.28 1.56 -0.62 0.00 0.00 178.44 178.20 2dna h GLN 39 N -0.03 -0.48 -0.21 1.25 1.08 0.11 -0.59 115.11 116.25 2dna h GLN 39 Ca 0.18 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.47 2dna h GLN 39 Cb 0.45 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.92 2dna h GLN 39 CO -0.92 -0.32 -0.36 0.00 -0.95 0.00 0.00 178.83 176.28 2dna h ALA 40 N 0.22 -0.41 -0.54 3.87 0.00 0.32 0.48 119.26 123.18 2dna h ALA 40 Ca 0.03 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2dna h ALA 40 Cb 0.52 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 2dna h ALA 40 CO -0.16 -0.83 -0.39 -0.07 0.00 0.00 0.00 179.25 177.80 2dna h LEU 41 N -0.39 -1.35 -2.19 0.00 3.38 0.22 1.52 115.31 116.50 2dna h LEU 41 Ca 0.11 0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.33 2dna h LEU 41 Cb 0.57 0.63 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2dna h LEU 41 CO -0.42 -0.33 0.06 0.40 0.09 0.00 0.00 178.44 178.24 2dna h ILE 42 N -0.22 0.74 0.00 1.22 2.04 0.10 1.20 117.51 122.58 2dna h ILE 42 Ca 0.19 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 2dna h ILE 42 Cb 0.56 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2dna h ILE 42 CO -0.66 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 177.33 2dna h ALA 43 N 1.94 0.96 -0.14 1.87 0.00 0.67 -2.92 119.26 121.65 2dna h ALA 43 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dna h ALA 43 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dna h ALA 43 CO -0.00 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.71 2dna n THR 44 N -3.24 1.17 -3.76 0.00 -2.24 0.17 -5.00 114.28 101.39 2dna n THR 44 Ca 0.01 -1.18 -0.32 0.00 -2.27 0.00 0.00 64.05 60.29 2dna n THR 44 Cb 0.46 0.38 0.03 0.00 -2.10 0.00 0.00 70.33 69.10 2dna n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2dna n ASP 45 N -0.22 -4.52 -2.53 3.42 -0.08 0.36 -3.52 116.55 109.46 2dna n ASP 45 Ca 0.07 -1.04 -0.03 0.00 -1.51 0.00 0.00 54.79 52.28 2dna n ASP 45 Cb 0.40 -3.18 0.00 0.00 2.34 0.00 0.00 41.12 40.68 2dna n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dna n GLY 46 N -1.76 -1.06 2.93 0.27 0.00 0.09 -4.99 105.19 100.67 2dna n GLY 46 Ca -0.12 0.60 -0.15 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.41 0.45 -0.08 1.61 2.15 -1.23 -5.06 116.67 112.10 2dna s ASP 47 Ca 0.10 0.45 -0.06 0.00 0.43 0.00 0.00 52.55 53.46 2dna s ASP 47 Cb -0.03 0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 43.00 2dna s ASP 47 CO 0.54 -0.23 0.25 0.71 -0.17 0.00 0.00 175.17 176.27 2dna h THR 48 N 6.27 0.10 -0.40 1.71 1.35 -1.96 -2.46 112.91 117.52 2dna h THR 48 Ca -0.18 -0.93 0.04 0.00 -0.55 0.00 0.00 66.41 64.78 2dna h THR 48 Cb 1.12 0.18 -0.05 0.00 -1.73 0.00 0.00 68.15 67.67 2dna h THR 48 CO 0.18 0.03 -0.30 -1.13 -0.25 0.00 0.00 175.52 174.05 2dna h ASN 49 N -1.04 -1.06 -0.35 5.36 -0.73 -1.98 1.13 115.58 116.91 2dna h ASN 49 Ca -0.02 0.15 0.07 0.00 1.87 0.00 0.00 56.30 58.38 2dna h ASN 49 Cb 0.18 0.46 -0.09 0.00 0.27 0.00 0.00 38.32 39.14 2dna h ASN 49 CO 0.03 -0.15 -0.33 0.00 -0.37 0.00 0.00 177.43 176.60 2dna h ALA 50 N -0.39 -0.23 -0.32 1.57 0.00 -1.98 0.20 119.26 118.10 2dna h ALA 50 Ca 0.07 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2dna h ALA 50 Cb 0.25 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2dna h ALA 50 CO -0.42 -0.75 -0.46 0.00 0.00 0.00 0.00 179.25 177.63 2dna h ALA 51 N 0.68 -0.56 -0.04 0.00 0.00 -0.43 0.20 119.26 119.12 2dna h ALA 51 Ca 0.16 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2dna h ALA 51 Cb 0.54 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2dna h ALA 51 CO -0.51 -0.93 -0.31 0.82 0.00 0.00 0.00 179.25 178.32 2dna h ILE 52 N -0.40 0.00 -0.95 0.00 2.04 0.25 0.62 117.51 119.07 2dna h ILE 52 Ca 0.11 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.12 2dna h ILE 52 Cb 0.61 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.53 2dna h ILE 52 CO -0.53 0.00 -0.37 0.22 0.00 0.00 0.00 178.15 177.47 2dna h TYR 53 N -0.36 -1.04 0.50 1.37 3.20 0.02 0.67 116.97 121.33 2dna h TYR 53 Ca 0.01 0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2dna h TYR 53 Cb 0.41 0.59 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 2dna h TYR 53 CO -0.49 -0.40 -0.30 0.87 -1.64 0.00 0.00 178.16 176.20 2dna h LYS 54 N -0.02 -0.72 -0.62 1.82 1.57 0.20 -0.53 116.57 118.28 2dna h LYS 54 Ca 0.34 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.23 2dna h LYS 54 Cb 0.60 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.99 2dna h LYS 54 CO -0.95 -0.48 -0.42 -0.07 -0.57 0.00 0.00 179.45 176.96 2dna h LEU 55 N -0.75 -1.50 -0.70 2.94 3.38 0.16 0.32 115.31 119.16 2dna h LEU 55 Ca -0.07 0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2dna h LEU 55 Cb 0.59 0.65 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 2dna h LEU 55 CO 0.08 -0.19 -0.49 0.11 0.09 0.00 0.00 178.44 178.03 2dna h LYS 56 N -0.07 -0.10 -0.48 1.13 1.79 0.35 0.56 116.57 119.76 2dna h LYS 56 Ca 0.10 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.65 2dna h LYS 56 Cb 0.32 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.90 2dna h LYS 56 CO -0.61 -0.06 -0.47 1.03 -1.08 0.00 0.00 179.45 178.25 2dna h SER 57 N -0.10 -1.60 -2.08 0.86 0.87 0.74 -3.39 113.55 108.85 2dna h SER 57 Ca 0.11 0.24 -0.61 0.00 -1.23 0.00 0.00 61.79 60.30 2dna h SER 57 Cb 0.39 0.69 0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2dna h SER 57 CO -0.71 -0.37 0.99 -0.24 -0.53 0.00 0.00 176.83 175.97 2dna n SER 58 N -5.40 3.28 -4.69 6.23 2.88 0.92 -4.85 113.62 112.00 2dna n SER 58 Ca -0.01 1.01 -0.44 0.00 -1.33 0.00 0.00 58.87 58.11 2dna n SER 58 Cb 0.35 -1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 62.39 2dna n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dna n GLN 59 N 5.58 2.58 0.00 -1.46 10.64 -1.26 -4.87 117.38 128.59 2dna n GLN 59 Ca 0.21 0.94 0.00 0.00 -1.83 0.00 0.00 57.00 56.32 2dna n GLN 59 Cb 0.29 -2.79 0.00 0.00 -0.86 0.00 0.00 30.24 26.87 2dna n GLN 59 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dna n GLY 60 N 4.06 -0.33 2.74 2.61 0.00 -1.26 -5.10 105.19 107.91 2dna n GLY 60 Ca 0.18 0.77 -0.03 0.00 0.00 0.00 0.00 46.02 46.93 2dna n GLY 60 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dna n PHE 61 N 0.00 -2.90 -1.22 1.61 7.35 -1.26 -4.95 117.46 116.09 2dna n PHE 61 Ca 0.00 1.69 -0.29 0.00 -0.76 0.00 0.00 57.45 58.09 2dna n PHE 61 Cb 0.00 -2.86 0.17 0.00 0.35 0.00 0.00 39.48 37.14 2dna n PHE 61 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2dna s SER 62 N -0.42 2.75 0.00 -2.13 0.01 -1.26 -4.94 113.70 107.72 2dna s SER 62 Ca -0.17 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2dna s SER 62 Cb 0.01 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2dna s SER 62 CO 0.47 -3.05 0.00 0.61 0.41 0.00 0.00 173.24 171.68 2dna n GLY 63 N -1.26 1.13 3.78 3.44 0.00 -1.26 -5.14 105.19 105.88 2dna n GLY 63 Ca 0.05 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.04 0.73 -0.00 1.61 0.04 -1.26 -5.09 135.00 130.98 2dna s PRO 64 Ca 0.00 0.13 -0.10 0.00 0.04 0.00 0.00 61.00 61.07 2dna s PRO 64 Cb 0.00 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2dna s PRO 64 CO 0.00 -2.45 0.19 0.45 0.04 0.00 0.00 177.00 175.24 2dna s SER 65 N -4.15 -0.04 0.00 6.66 0.15 -1.26 -4.96 113.70 110.10 2dna s SER 65 Ca 0.66 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2dna s SER 65 Cb -0.12 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2dna s SER 65 CO 0.54 -0.40 0.00 -0.24 1.20 0.00 0.00 173.24 174.34 2dna n SER 66 N 1.39 0.00 0.00 5.45 2.88 -1.26 -5.23 113.62 116.85 2dna n SER 66 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 2dna n SER 66 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2dna n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42