#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 3.42 -0.09 1.61 0.01 -1.26 -5.09 113.70 112.29 2dna s SER 2 Ca 0.00 -0.91 -0.30 0.00 1.31 0.00 0.00 55.95 56.05 2dna s SER 2 Cb 0.00 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.99 2dna s SER 2 CO 0.00 -0.16 1.53 -0.55 0.41 0.00 0.00 173.24 174.47 2dna s SER 3 N 1.41 6.74 0.63 2.44 0.15 -1.26 -4.76 113.70 119.05 2dna s SER 3 Ca -0.02 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.68 2dna s SER 3 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dna s SER 3 CO -0.08 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2dna n GLY 4 N 3.99 0.42 2.23 9.45 0.00 -1.26 -5.03 105.19 114.99 2dna n GLY 4 Ca 0.16 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.35 2dna n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dna n SER 5 N -1.58 -8.57 -3.47 1.61 7.64 -1.26 -5.07 113.62 102.91 2dna n SER 5 Ca 0.00 1.68 0.01 0.00 1.01 0.00 0.00 58.87 61.57 2dna n SER 5 Cb 0.00 -4.83 -0.03 0.00 -1.01 0.00 0.00 64.21 58.34 2dna n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dna s SER 6 N -0.55 -0.94 0.73 6.43 0.15 -1.26 -5.09 113.70 113.17 2dna s SER 6 Ca -0.01 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.78 2dna s SER 6 Cb 0.00 2.01 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 2dna s SER 6 CO 0.03 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dna n GLY 7 N 5.28 -1.69 3.79 9.45 0.00 -1.26 -5.05 105.19 115.71 2dna n GLY 7 Ca -0.09 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.18 1.22 -0.40 1.61 0.04 -1.26 -5.02 135.00 129.01 2dna s PRO 8 Ca 0.00 0.32 -0.14 0.00 0.04 0.00 0.00 61.00 61.23 2dna s PRO 8 Cb 0.00 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.72 2dna s PRO 8 CO 0.00 -2.15 0.27 0.45 0.04 0.00 0.00 177.00 175.61 2dna s SER 9 N -4.01 5.97 -0.01 6.66 0.15 -1.26 -4.96 113.70 116.23 2dna s SER 9 Ca 0.64 -0.96 -0.19 0.00 0.70 0.00 0.00 55.95 56.13 2dna s SER 9 Cb -0.15 -2.11 -0.11 0.00 -1.71 0.00 0.00 66.02 61.95 2dna s SER 9 CO 0.53 -0.44 0.82 0.45 1.20 0.00 0.00 173.24 175.81 2dna h HIS 10 N 8.56 -0.64 -1.07 3.44 3.86 -2.04 -3.48 115.15 123.78 2dna h HIS 10 Ca -0.26 -0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.14 2dna h HIS 10 Cb 1.11 0.21 -0.33 0.00 1.06 0.00 0.00 27.41 29.46 2dna h HIS 10 CO 0.56 -0.40 0.77 -1.54 0.86 0.00 0.00 177.93 178.18 2dna s SER 11 N -4.60 -0.06 -0.26 2.45 1.04 -1.26 -5.07 113.70 105.94 2dna s SER 11 Ca -0.10 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 2dna s SER 11 Cb 0.01 0.87 0.01 0.00 0.10 0.00 0.00 66.02 67.01 2dna s SER 11 CO 0.30 -0.02 0.18 0.18 0.98 0.00 0.00 173.24 174.87 2dna n LEU 12 N 2.84 -6.28 -4.54 2.42 4.77 -1.26 -5.06 117.00 109.89 2dna n LEU 12 Ca -0.16 0.76 -0.26 0.00 -0.03 0.00 0.00 56.01 56.32 2dna n LEU 12 Cb 0.56 -2.69 -0.10 0.00 -2.33 0.00 0.00 43.42 38.86 2dna n LEU 12 CO 0.06 -2.05 -0.40 -1.58 -1.33 0.00 0.00 177.39 172.09 2dna s GLN 13 N -1.57 1.81 0.79 3.23 0.74 -1.26 -5.12 119.66 118.28 2dna s GLN 13 Ca 0.07 -1.90 -0.15 0.00 0.05 0.00 0.00 55.36 53.43 2dna s GLN 13 Cb -0.02 -1.72 0.03 0.00 1.10 0.00 0.00 33.01 32.39 2dna s GLN 13 CO 0.56 0.17 0.86 0.00 -0.55 0.00 0.00 175.29 176.33 2dna n ALA 14 N -0.77 -0.84 0.05 1.58 0.00 -1.26 -4.92 120.51 114.36 2dna n ALA 14 Ca -0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 2dna n ALA 14 Cb 0.63 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.72 -0.18 -1.26 0.00 0.13 -1.99 -2.93 132.00 125.05 2dna h PRO 15 Ca -0.46 0.01 0.37 0.00 -0.87 0.00 0.00 66.00 65.05 2dna h PRO 15 Cb 1.32 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.41 2dna h PRO 15 CO 0.43 -0.12 0.87 1.05 -0.23 0.00 0.00 178.00 180.01 2dna h GLU 16 N -0.58 0.12 -0.63 0.86 -0.00 -1.93 1.50 114.58 113.92 2dna h GLU 16 Ca -0.02 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.36 59.24 2dna h GLU 16 Cb 0.14 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 28.84 2dna h GLU 16 CO 0.03 0.08 0.04 0.28 -0.00 0.00 0.00 179.01 179.44 2dna h VAL 17 N 0.12 1.26 -0.07 -1.06 2.07 -1.95 1.36 116.25 117.98 2dna h VAL 17 Ca 0.66 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 2dna h VAL 17 Cb 2.29 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2dna h VAL 17 CO -0.16 0.41 -0.17 -0.09 0.02 0.00 0.00 177.57 177.58 2dna h ARG 18 N 1.00 0.24 -0.93 1.57 2.43 0.22 -3.22 114.38 115.69 2dna h ARG 18 Ca 0.19 -0.16 -0.55 0.00 -0.81 0.00 0.00 59.98 58.64 2dna h ARG 18 Cb 0.51 0.02 -0.29 0.00 -0.42 0.00 0.00 29.97 29.80 2dna h ARG 18 CO 0.02 0.76 0.61 1.19 -1.51 0.00 0.00 179.97 181.04 2dna n PHE 19 N -4.58 2.94 0.30 2.20 3.72 0.35 -4.61 117.46 117.77 2dna n PHE 19 Ca -0.08 -2.29 -0.14 0.00 -0.05 0.00 0.00 57.45 54.89 2dna n PHE 19 Cb 0.39 -1.07 -0.07 0.00 -0.94 0.00 0.00 39.48 37.79 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 1.43 -0.67 -1.89 4.37 4.64 0.18 -1.02 113.55 120.59 2dna h SER 20 Ca 0.58 -0.02 0.55 0.00 -0.47 0.00 0.00 61.79 62.43 2dna h SER 20 Cb 1.93 0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 64.11 2dna h SER 20 CO 1.21 -0.28 1.35 0.50 -0.87 0.00 0.00 176.83 178.73 2dna h LYS 21 N -1.13 0.00 0.02 4.77 3.64 -1.82 0.76 116.57 122.81 2dna h LYS 21 Ca -0.08 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2dna h LYS 21 Cb 0.65 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2dna h LYS 21 CO 0.13 0.00 -0.01 0.93 -2.27 0.00 0.00 179.45 178.23 2dna h GLU 22 N 0.00 -0.02 -1.26 1.90 3.07 -1.83 -2.92 114.58 113.52 2dna h GLU 22 Ca 0.92 0.00 0.36 0.00 -0.50 0.00 0.00 59.36 60.14 2dna h GLU 22 Cb 3.62 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 31.46 2dna h GLU 22 CO -0.05 0.49 0.87 0.52 -1.40 0.00 0.00 179.01 179.45 2dna h MET 23 N -0.99 0.10 -0.03 2.33 2.86 0.18 0.78 114.93 120.16 2dna h MET 23 Ca -0.00 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 2dna h MET 23 Cb 0.53 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.18 2dna h MET 23 CO 0.00 0.07 -0.72 0.93 1.06 0.00 0.00 176.91 178.25 2dna h GLU 24 N 0.11 0.54 -0.62 1.72 4.39 -1.12 -2.29 114.58 117.30 2dna h GLU 24 Ca 0.65 -0.54 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2dna h GLU 24 Cb 2.30 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 31.07 2dna h GLU 24 CO -0.13 1.17 0.14 0.00 -1.16 0.00 0.00 179.01 179.03 2dna h LEU 26 N 0.92 -0.65 -0.53 0.00 3.38 0.01 -2.53 115.31 115.92 2dna h LEU 26 Ca 0.19 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.32 2dna h LEU 26 Cb 0.37 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 2dna h LEU 26 CO 0.00 -0.36 -0.26 -0.61 0.09 0.00 0.00 178.44 177.31 2dna h GLN 27 N -0.53 -0.13 -0.80 1.13 -0.00 -1.22 0.19 115.11 113.75 2dna h GLN 27 Ca -0.01 0.01 0.18 0.00 -0.00 0.00 0.00 58.65 58.82 2dna h GLN 27 Cb 0.49 0.03 -0.15 0.00 0.00 0.00 0.00 27.48 27.85 2dna h GLN 27 CO -0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 178.83 178.61 2dna h ALA 28 N 1.16 0.70 -0.22 3.38 0.00 -1.03 1.36 119.26 124.61 2dna h ALA 28 Ca 0.24 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2dna h ALA 28 Cb 0.51 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2dna h ALA 28 CO -0.61 -0.43 0.08 0.52 0.00 0.00 0.00 179.25 178.81 2dna h MET 29 N 0.04 0.30 0.00 0.00 2.86 -0.28 -3.45 114.93 114.40 2dna h MET 29 Ca 0.42 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2dna h MET 29 Cb 0.71 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2dna h MET 29 CO -0.77 0.26 0.00 0.41 1.06 0.00 0.00 176.91 177.87 2dna n GLY 30 N -1.33 1.19 3.38 8.32 0.00 0.47 -5.04 105.19 112.18 2dna n GLY 30 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 2.21 0.11 1.61 3.72 -0.83 -4.61 117.46 119.68 2dna n PHE 31 Ca 0.00 -1.52 -0.02 0.00 -0.05 0.00 0.00 57.45 55.86 2dna n PHE 31 Cb 0.00 -2.17 0.21 0.00 -0.94 0.00 0.00 39.48 36.59 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 5.44 1.34 -0.26 -4.37 -1.51 -1.83 -3.25 116.25 111.80 2dna h VAL 32 Ca 0.30 -1.68 -0.43 0.00 -1.23 0.00 0.00 66.70 63.66 2dna h VAL 32 Cb 0.82 1.83 -0.08 0.00 -2.13 0.00 0.00 31.29 31.74 2dna h VAL 32 CO 1.55 0.49 1.69 0.59 -1.23 0.00 0.00 177.57 180.67 2dna n ASN 33 N -3.97 0.27 -0.01 4.19 4.13 -1.26 -4.75 115.26 113.86 2dna n ASN 33 Ca -0.02 -0.22 -0.01 0.00 1.68 0.00 0.00 54.58 56.02 2dna n ASN 33 Cb 0.52 -0.98 -0.00 0.00 -1.54 0.00 0.00 39.78 37.78 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 12.96 -0.04 -1.04 3.10 3.20 -1.98 -0.06 116.97 133.12 2dna h TYR 34 Ca -0.05 -0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.12 2dna h TYR 34 Cb 1.24 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 2dna h TYR 34 CO 1.15 -0.02 0.93 -0.91 -1.64 0.00 0.00 178.16 177.66 2dna h ASN 35 N -0.64 0.00 0.00 -2.11 4.21 -1.99 0.78 115.58 115.83 2dna h ASN 35 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2dna h ASN 35 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2dna h ASN 35 CO 0.01 0.00 -0.06 0.00 -1.29 0.00 0.00 177.43 176.08 2dna h ALA 36 N 1.12 0.00 -0.64 -0.83 0.00 -1.93 -3.17 119.26 113.82 2dna h ALA 36 Ca 0.49 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.43 2dna h ALA 36 Cb 2.34 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 20.07 2dna h ALA 36 CO -0.01 0.06 -0.30 -0.91 0.00 0.00 0.00 179.25 178.09 2dna h ASN 37 N -0.53 -1.07 -0.27 0.00 2.35 0.56 0.51 115.58 117.12 2dna h ASN 37 Ca 0.00 0.23 0.03 0.00 -0.55 0.00 0.00 56.30 56.01 2dna h ASN 37 Cb 0.06 0.56 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 2dna h ASN 37 CO 0.00 -0.29 -0.26 0.25 -1.65 0.00 0.00 177.43 175.48 2dna h LEU 38 N -0.12 -0.91 -0.37 1.61 6.46 0.34 1.25 115.31 123.56 2dna h LEU 38 Ca 0.26 0.13 0.08 0.00 -0.12 0.00 0.00 57.88 58.22 2dna h LEU 38 Cb 0.55 0.38 -0.08 0.00 -0.73 0.00 0.00 40.66 40.79 2dna h LEU 38 CO -0.71 -0.16 -0.13 1.56 -0.62 0.00 0.00 178.44 178.38 2dna h GLN 39 N -0.13 -0.05 -0.62 1.25 1.08 -1.18 0.14 115.11 115.61 2dna h GLN 39 Ca 0.05 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.37 2dna h GLN 39 Cb 0.25 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.60 2dna h GLN 39 CO -0.33 -0.03 0.10 0.00 -0.95 0.00 0.00 178.83 177.62 2dna h ALA 40 N 1.29 0.71 0.41 3.87 0.00 0.15 0.55 119.26 126.25 2dna h ALA 40 Ca 0.18 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2dna h ALA 40 Cb 0.33 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2dna h ALA 40 CO -0.41 -0.34 -0.37 -0.07 0.00 0.00 0.00 179.25 178.06 2dna h LEU 41 N 0.22 -1.01 -2.10 0.00 3.38 0.33 0.19 115.31 116.33 2dna h LEU 41 Ca 0.33 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.47 2dna h LEU 41 Cb 0.51 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2dna h LEU 41 CO -0.45 -0.53 0.28 0.40 0.09 0.00 0.00 178.44 178.23 2dna h ILE 42 N -0.80 0.58 0.00 1.22 2.04 0.08 1.24 117.51 121.87 2dna h ILE 42 Ca -0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2dna h ILE 42 Cb 0.70 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2dna h ILE 42 CO -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 178.15 177.84 2dna h ALA 43 N 1.73 0.89 -0.29 1.87 0.00 0.21 -3.01 119.26 120.66 2dna h ALA 43 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dna h ALA 43 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dna h ALA 43 CO -0.00 0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.83 2dna n THR 44 N -3.25 1.14 -4.11 0.00 -2.24 0.34 -4.98 114.28 101.19 2dna n THR 44 Ca 0.02 -1.11 -0.28 0.00 -2.27 0.00 0.00 64.05 60.41 2dna n THR 44 Cb 0.56 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.25 0.11 -1.88 3.42 9.92 0.34 -3.23 116.55 125.47 2dna n ASP 45 Ca 0.11 -1.12 -0.02 0.00 -0.53 0.00 0.00 54.79 53.24 2dna n ASP 45 Cb 0.45 -2.46 0.00 0.00 -0.64 0.00 0.00 41.12 38.48 2dna n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dna n GLY 46 N -2.20 -0.79 2.91 0.44 0.00 -0.58 -5.00 105.19 99.97 2dna n GLY 46 Ca -0.30 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.64 0.32 0.01 1.61 2.15 -1.20 -5.05 116.67 112.88 2dna s ASP 47 Ca 0.05 0.10 -0.26 0.00 0.43 0.00 0.00 52.55 52.88 2dna s ASP 47 Cb -0.01 1.09 -0.15 0.00 -0.30 0.00 0.00 42.92 43.55 2dna s ASP 47 CO 0.21 -0.31 1.09 0.71 -0.17 0.00 0.00 175.17 176.70 2dna h THR 48 N 6.18 0.09 -0.30 1.71 1.35 -1.97 0.26 112.91 120.24 2dna h THR 48 Ca -0.18 -0.35 0.03 0.00 -0.55 0.00 0.00 66.41 65.36 2dna h THR 48 Cb 1.15 0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.65 2dna h THR 48 CO 0.27 0.01 -0.19 0.78 -0.25 0.00 0.00 175.52 176.14 2dna h ASN 49 N -1.19 -0.70 -0.10 5.36 4.21 -1.98 1.18 115.58 122.37 2dna h ASN 49 Ca -0.09 0.10 0.04 0.00 1.21 0.00 0.00 56.30 57.57 2dna h ASN 49 Cb 0.68 0.31 -0.05 0.00 -1.12 0.00 0.00 38.32 38.14 2dna h ASN 49 CO 0.15 -0.09 -0.24 0.00 -1.29 0.00 0.00 177.43 175.96 2dna h ALA 50 N -0.57 -0.24 -0.84 -0.83 0.00 -1.98 0.32 119.26 115.11 2dna h ALA 50 Ca 0.05 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.18 2dna h ALA 50 Cb 0.15 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 2dna h ALA 50 CO -0.29 -0.71 -0.07 0.00 0.00 0.00 0.00 179.25 178.18 2dna h ALA 51 N 0.60 0.79 0.64 0.00 0.00 0.15 0.61 119.26 122.05 2dna h ALA 51 Ca 0.09 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2dna h ALA 51 Cb 0.45 0.54 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2dna h ALA 51 CO -0.28 -0.44 -0.31 0.82 0.00 0.00 0.00 179.25 179.04 2dna h ILE 52 N 0.05 0.22 -0.92 0.00 2.04 0.27 0.11 117.51 119.28 2dna h ILE 52 Ca 0.45 -0.28 0.26 0.00 1.00 0.00 0.00 64.86 66.29 2dna h ILE 52 Cb 0.79 0.29 -0.15 0.00 -0.74 0.00 0.00 36.82 37.01 2dna h ILE 52 CO -0.80 0.03 0.25 1.88 0.00 0.00 0.00 178.15 179.50 2dna h TYR 53 N -1.09 0.36 0.52 1.37 -1.99 0.16 0.63 116.97 116.92 2dna h TYR 53 Ca -0.09 0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 2dna h TYR 53 Cb 0.71 -0.01 0.01 0.00 2.00 0.00 0.00 36.73 39.43 2dna h TYR 53 CO 0.00 -0.27 -0.25 0.87 -0.00 0.00 0.00 178.16 178.51 2dna h LYS 54 N 0.16 -0.67 -0.50 4.88 1.57 0.26 -2.12 116.57 120.15 2dna h LYS 54 Ca 0.60 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.48 2dna h LYS 54 Cb 1.27 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 33.66 2dna h LYS 54 CO -0.71 -0.45 -0.46 -0.07 -0.57 0.00 0.00 179.45 177.19 2dna h LEU 55 N -1.01 -1.60 -0.81 2.94 3.38 0.56 0.47 115.31 119.24 2dna h LEU 55 Ca -0.07 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2dna h LEU 55 Cb 0.53 0.68 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 2dna h LEU 55 CO 0.12 -0.28 -0.52 0.11 0.09 0.00 0.00 178.44 177.96 2dna h LYS 56 N -0.21 -0.11 -0.73 1.13 1.57 0.11 0.19 116.57 118.52 2dna h LYS 56 Ca 0.08 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 2dna h LYS 56 Cb 0.43 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.64 2dna h LYS 56 CO -0.58 -0.07 -0.44 1.03 -0.57 0.00 0.00 179.45 178.81 2dna h SER 57 N -0.11 -1.56 -1.75 0.86 0.87 -0.26 -3.39 113.55 108.20 2dna h SER 57 Ca 0.18 0.27 -0.68 0.00 -1.23 0.00 0.00 61.79 60.33 2dna h SER 57 Cb 0.50 0.73 0.04 0.00 -0.44 0.00 0.00 62.40 63.24 2dna h SER 57 CO -0.84 -0.31 0.66 -0.24 -0.53 0.00 0.00 176.83 175.58 2dna n SER 58 N -5.40 2.17 -3.87 6.23 2.88 0.65 -4.91 113.62 111.37 2dna n SER 58 Ca 0.04 1.09 -0.28 0.00 -1.33 0.00 0.00 58.87 58.39 2dna n SER 58 Cb 0.35 -1.22 -0.12 0.00 -0.75 0.00 0.00 64.21 62.47 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 3.69 1.86 -3.03 -1.46 1.13 -1.26 -4.93 117.38 113.38 2dna n GLN 59 Ca 0.21 -4.49 -0.16 0.00 -1.94 0.00 0.00 57.00 50.62 2dna n GLN 59 Cb 0.20 -2.28 -0.03 0.00 0.11 0.00 0.00 30.24 28.24 2dna n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dna n GLY 60 N 1.89 1.05 2.82 1.08 0.00 -1.26 -5.05 105.19 105.72 2dna n GLY 60 Ca 0.21 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 2.33 -2.61 0.16 1.61 3.01 -1.26 -5.00 117.46 115.70 2dna n PHE 61 Ca 0.20 1.48 0.00 0.00 1.01 0.00 0.00 57.45 60.14 2dna n PHE 61 Cb 0.54 -2.72 0.00 0.00 -0.01 0.00 0.00 39.48 37.29 2dna n PHE 61 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2dna n SER 62 N 1.93 -1.65 0.00 4.37 2.88 -1.26 -5.12 113.62 114.77 2dna n SER 62 Ca -0.22 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2dna n SER 62 Cb 0.37 1.68 0.00 0.00 -0.75 0.00 0.00 64.21 65.51 2dna n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dna n GLY 63 N 0.22 -0.46 3.59 0.46 0.00 -1.26 -4.99 105.19 102.74 2dna n GLY 63 Ca 0.00 0.74 -0.42 0.00 0.00 0.00 0.00 46.02 46.34 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 3.38 -0.18 1.61 0.04 -1.26 -4.96 135.00 133.64 2dna s PRO 64 Ca 0.00 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 61.72 2dna s PRO 64 Cb 0.00 -4.10 0.06 0.00 0.04 0.00 0.00 34.50 30.50 2dna s PRO 64 CO 0.00 -1.82 0.05 -1.12 0.04 0.00 0.00 177.00 174.15 2dna s SER 65 N 4.50 2.63 0.23 6.66 0.01 -1.26 -5.13 113.70 121.33 2dna s SER 65 Ca 0.58 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 57.16 2dna s SER 65 Cb -0.13 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 2dna s SER 65 CO 0.28 -0.31 0.07 -0.55 0.41 0.00 0.00 173.24 173.14 2dna s SER 66 N 1.96 1.17 0.00 2.44 0.15 -1.26 -5.26 113.70 112.90 2dna s SER 66 Ca 0.00 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.34 2dna s SER 66 Cb -0.16 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2dna s SER 66 CO -0.08 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.29