#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 4.31 -0.34 1.61 0.01 -1.26 -5.05 113.70 112.98 2dna s SER 2 Ca 0.00 -2.59 0.01 0.00 1.31 0.00 0.00 55.95 54.68 2dna s SER 2 Cb 0.00 -1.47 0.08 0.00 0.21 0.00 0.00 66.02 64.84 2dna s SER 2 CO 0.00 -0.29 0.05 -0.55 0.41 0.00 0.00 173.24 172.86 2dna s SER 3 N 0.32 4.88 0.48 2.44 0.15 -1.26 -5.09 113.70 115.62 2dna s SER 3 Ca 0.15 -1.78 0.01 0.00 0.70 0.00 0.00 55.95 55.03 2dna s SER 3 Cb -0.23 -1.69 -0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2dna s SER 3 CO -0.04 -0.36 0.04 0.61 1.20 0.00 0.00 173.24 174.68 2dna n GLY 4 N 4.47 3.48 0.00 9.45 0.00 -1.26 -5.16 105.19 116.17 2dna n GLY 4 Ca -0.05 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.36 0.00 -3.60 1.61 7.64 -1.26 -5.17 113.62 111.48 2dna n SER 5 Ca -0.17 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.68 2dna n SER 5 Cb 0.63 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.77 2dna n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dna s SER 6 N 0.00 -0.68 0.00 6.43 1.04 -1.26 -5.06 113.70 114.17 2dna s SER 6 Ca 0.00 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2dna s SER 6 Cb 0.00 1.43 0.00 0.00 0.10 0.00 0.00 66.02 67.55 2dna s SER 6 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2dna n GLY 7 N 4.23 0.17 3.59 7.32 0.00 -1.26 -5.00 105.19 114.24 2dna n GLY 7 Ca -0.17 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.96 3.38 -0.80 1.61 0.04 -1.26 -4.95 135.00 132.06 2dna s PRO 8 Ca 0.00 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 61.66 2dna s PRO 8 Cb 0.00 -4.10 0.21 0.00 0.04 0.00 0.00 34.50 30.65 2dna s PRO 8 CO 0.00 -1.83 0.70 -1.12 0.04 0.00 0.00 177.00 174.79 2dna s SER 9 N 4.49 6.22 0.44 6.66 0.01 -1.26 -4.61 113.70 125.66 2dna s SER 9 Ca 0.58 -2.96 0.00 0.00 1.31 0.00 0.00 55.95 54.88 2dna s SER 9 Cb -0.12 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.05 2dna s SER 9 CO 0.28 -0.43 0.00 1.41 0.41 0.00 0.00 173.24 174.91 2dna n HIS 10 N 3.48 -4.28 -3.20 2.43 8.25 -1.26 -5.14 115.22 115.50 2dna n HIS 10 Ca 0.14 1.38 -0.18 0.00 -0.26 0.00 0.00 57.72 58.80 2dna n HIS 10 Cb 0.42 3.28 -0.00 0.00 1.12 0.00 0.00 29.99 34.80 2dna n HIS 10 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2dna s SER 11 N -2.77 5.47 1.11 0.41 1.04 -1.26 -5.09 113.70 112.61 2dna s SER 11 Ca 0.00 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 2dna s SER 11 Cb 0.00 -0.65 0.20 0.00 0.10 0.00 0.00 66.02 65.67 2dna s SER 11 CO 0.00 -0.71 0.67 0.18 0.98 0.00 0.00 173.24 174.36 2dna n LEU 12 N -1.74 -1.06 -3.54 2.42 4.77 -1.26 -5.04 117.00 111.55 2dna n LEU 12 Ca 0.06 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 2dna n LEU 12 Cb 0.60 -1.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 2dna n LEU 12 CO 0.40 -3.14 0.75 -1.58 -1.33 0.00 0.00 177.39 172.50 2dna s GLN 13 N -4.07 0.75 0.73 3.23 0.74 -1.26 -5.12 119.66 114.66 2dna s GLN 13 Ca 0.64 -0.29 -0.17 0.00 0.05 0.00 0.00 55.36 55.59 2dna s GLN 13 Cb -0.21 0.33 -0.08 0.00 1.10 0.00 0.00 33.01 34.16 2dna s GLN 13 CO 0.65 -0.33 0.18 0.00 -0.55 0.00 0.00 175.29 175.24 2dna n ALA 14 N -0.24 -2.50 0.06 1.58 0.00 -1.26 -4.87 120.51 113.28 2dna n ALA 14 Ca -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.06 2dna n ALA 14 Cb 0.61 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.44 -0.19 -1.08 0.00 0.13 -2.01 -2.93 132.00 125.47 2dna h PRO 15 Ca -0.44 0.01 0.31 0.00 -0.87 0.00 0.00 66.00 65.01 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 0.39 -0.13 0.67 1.05 -0.23 0.00 0.00 178.00 179.75 2dna h GLU 16 N -0.65 0.33 -0.74 0.86 -0.00 -1.92 1.50 114.58 113.96 2dna h GLU 16 Ca -0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.30 2dna h GLU 16 Cb 0.15 -0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 28.79 2dna h GLU 16 CO 0.03 0.22 0.37 0.28 -0.00 0.00 0.00 179.01 179.92 2dna h VAL 17 N 0.34 1.23 0.15 -1.06 2.07 -1.94 1.33 116.25 118.37 2dna h VAL 17 Ca 0.69 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2dna h VAL 17 Cb 1.73 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2dna h VAL 17 CO -0.44 0.27 -0.07 -0.09 0.02 0.00 0.00 177.57 177.26 2dna h ARG 18 N 1.04 -0.19 -1.03 1.57 1.12 0.21 -3.28 114.38 113.82 2dna h ARG 18 Ca 0.26 0.01 -0.28 0.00 -1.11 0.00 0.00 59.98 58.86 2dna h ARG 18 Cb 0.08 0.04 -0.17 0.00 -0.01 0.00 0.00 29.97 29.91 2dna h ARG 18 CO -0.04 0.20 0.36 1.19 -3.11 0.00 0.00 179.97 178.57 2dna n PHE 19 N -4.89 1.66 0.25 2.20 3.72 0.11 -4.41 117.46 116.10 2dna n PHE 19 Ca -0.06 -1.29 -0.14 0.00 -0.05 0.00 0.00 57.45 55.91 2dna n PHE 19 Cb 0.23 -0.65 -0.08 0.00 -0.94 0.00 0.00 39.48 38.04 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 0.61 -0.55 -1.77 4.37 4.64 0.17 -1.39 113.55 119.63 2dna h SER 20 Ca 0.34 -0.08 0.51 0.00 -0.47 0.00 0.00 61.79 62.10 2dna h SER 20 Cb 1.93 0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 64.09 2dna h SER 20 CO 0.61 -0.21 1.33 0.50 -0.87 0.00 0.00 176.83 178.19 2dna h LYS 21 N -0.91 0.00 0.00 4.77 3.11 -1.82 0.88 116.57 122.60 2dna h LYS 21 Ca -0.07 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2dna h LYS 21 Cb 0.59 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.82 2dna h LYS 21 CO 0.11 0.00 -0.05 0.93 -2.81 0.00 0.00 179.45 177.63 2dna h GLU 22 N 0.00 0.00 -1.14 1.90 3.07 -1.78 -3.02 114.58 113.61 2dna h GLU 22 Ca 0.84 0.00 0.34 0.00 -0.50 0.00 0.00 59.36 60.04 2dna h GLU 22 Cb 3.49 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 31.29 2dna h GLU 22 CO -0.01 0.73 0.73 0.52 -1.40 0.00 0.00 179.01 179.58 2dna h MET 23 N -1.00 0.26 -0.01 2.33 2.86 0.18 0.69 114.93 120.23 2dna h MET 23 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2dna h MET 23 Cb 0.75 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2dna h MET 23 CO -0.01 0.17 -0.02 0.93 1.06 0.00 0.00 176.91 179.04 2dna h GLU 24 N 0.27 0.04 0.18 1.72 5.08 -1.26 -2.35 114.58 118.26 2dna h GLU 24 Ca 0.69 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 2dna h GLU 24 Cb 1.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 2dna h GLU 24 CO -0.37 0.57 -0.16 0.00 -1.00 0.00 0.00 179.01 178.05 2dna h LEU 26 N -0.36 -0.75 0.04 0.00 3.38 0.14 0.52 115.31 118.27 2dna h LEU 26 Ca -0.00 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.21 2dna h LEU 26 Cb 0.34 0.47 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2dna h LEU 26 CO -0.03 -0.25 -0.35 1.56 0.09 0.00 0.00 178.44 179.47 2dna h GLN 27 N -0.03 -0.51 -0.80 1.13 1.08 -0.83 0.46 115.11 115.61 2dna h GLN 27 Ca 0.33 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.71 2dna h GLN 27 Cb 0.53 0.12 -0.15 0.00 -0.05 0.00 0.00 27.48 27.93 2dna h GLN 27 CO -0.73 -0.34 -0.30 0.00 -0.95 0.00 0.00 178.83 176.51 2dna h ALA 28 N 0.13 0.26 -0.67 3.87 0.00 0.13 1.39 119.26 124.37 2dna h ALA 28 Ca 0.05 0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.33 2dna h ALA 28 Cb 0.59 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2dna h ALA 28 CO -0.25 -0.55 0.45 0.52 0.00 0.00 0.00 179.25 179.42 2dna h MET 29 N -0.05 0.47 0.00 0.00 2.86 -0.38 -3.45 114.93 114.38 2dna h MET 29 Ca 0.33 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2dna h MET 29 Cb 0.59 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2dna h MET 29 CO -0.84 0.31 0.00 0.41 1.06 0.00 0.00 176.91 177.86 2dna n GLY 30 N -1.50 1.02 3.41 8.32 0.00 0.48 -5.03 105.19 111.89 2dna n GLY 30 Ca 0.11 0.00 -0.33 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 2.06 0.41 1.61 3.72 0.04 -4.60 117.46 120.69 2dna n PHE 31 Ca 0.00 -1.38 0.13 0.00 -0.05 0.00 0.00 57.45 56.15 2dna n PHE 31 Cb 0.00 -2.16 0.50 0.00 -0.94 0.00 0.00 39.48 36.88 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 5.55 0.00 -0.20 -4.37 -1.51 -1.81 -3.20 116.25 110.70 2dna h VAL 32 Ca 0.27 -0.32 -0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2dna h VAL 32 Cb 0.83 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2dna h VAL 32 CO 1.52 0.00 0.01 0.54 -1.23 0.00 0.00 177.57 178.40 2dna s ASN 33 N -4.53 3.56 0.00 4.19 4.22 -1.26 -4.73 114.94 116.39 2dna s ASN 33 Ca 0.05 -0.49 -0.02 0.00 -2.14 0.00 0.00 52.86 50.26 2dna s ASN 33 Cb 0.10 -2.58 -0.01 0.00 1.28 0.00 0.00 41.25 40.04 2dna s ASN 33 CO 0.45 -4.45 0.67 0.22 -2.04 0.00 0.00 177.10 171.94 2dna h TYR 34 N 12.16 -0.06 -0.93 1.54 3.20 -1.97 0.65 116.97 131.57 2dna h TYR 34 Ca 0.00 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.09 2dna h TYR 34 Cb 1.00 0.02 -0.17 0.00 1.54 0.00 0.00 36.73 39.12 2dna h TYR 34 CO 1.08 -0.04 -0.06 -0.97 -1.64 0.00 0.00 178.16 176.53 2dna h ASN 35 N -0.09 -0.57 0.78 -2.11 -0.73 -1.99 0.90 115.58 111.78 2dna h ASN 35 Ca -0.01 0.26 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 2dna h ASN 35 Cb 0.05 0.49 0.01 0.00 0.27 0.00 0.00 38.32 39.13 2dna h ASN 35 CO 0.01 -0.30 -0.38 0.00 -0.37 0.00 0.00 177.43 176.39 2dna h ALA 36 N 1.91 -1.05 -0.70 1.57 0.00 -1.94 -2.31 119.26 116.74 2dna h ALA 36 Ca 0.51 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.31 2dna h ALA 36 Cb 0.96 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 2dna h ALA 36 CO -0.88 -1.01 -0.31 -0.91 0.00 0.00 0.00 179.25 176.14 2dna h ASN 37 N -1.22 -1.10 -0.03 0.00 2.35 0.31 0.23 115.58 116.11 2dna h ASN 37 Ca -0.11 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2dna h ASN 37 Cb 0.82 0.58 -0.01 0.00 0.05 0.00 0.00 38.32 39.77 2dna h ASN 37 CO 0.18 -0.29 -0.04 0.25 -1.65 0.00 0.00 177.43 175.88 2dna h LEU 38 N -0.10 -0.13 -0.62 1.61 6.46 0.76 0.65 115.31 123.94 2dna h LEU 38 Ca 0.28 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 58.15 2dna h LEU 38 Cb 0.56 0.06 -0.11 0.00 -0.73 0.00 0.00 40.66 40.44 2dna h LEU 38 CO -0.76 -0.03 -0.44 1.56 -0.62 0.00 0.00 178.44 178.15 2dna h GLN 39 N -0.03 -0.20 -0.56 1.25 4.20 -0.71 0.12 115.11 119.18 2dna h GLN 39 Ca 0.01 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.82 2dna h GLN 39 Cb 0.04 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.76 2dna h GLN 39 CO -0.04 -0.13 -0.37 0.00 -0.67 0.00 0.00 178.83 177.62 2dna h ALA 40 N 0.64 -0.15 -0.17 3.87 0.00 0.24 0.84 119.26 124.53 2dna h ALA 40 Ca 0.18 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2dna h ALA 40 Cb 0.56 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 2dna h ALA 40 CO -0.71 -0.73 -0.55 -0.07 0.00 0.00 0.00 179.25 177.19 2dna h LEU 41 N -0.20 -1.74 -0.81 0.00 3.38 0.27 0.35 115.31 116.57 2dna h LEU 41 Ca 0.21 0.21 0.15 0.00 0.09 0.00 0.00 57.88 58.53 2dna h LEU 41 Cb 0.56 0.68 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 2dna h LEU 41 CO -0.66 -0.47 0.38 0.40 0.09 0.00 0.00 178.44 178.17 2dna h ILE 42 N -0.56 0.69 0.00 1.22 2.04 0.53 1.63 117.51 123.06 2dna h ILE 42 Ca 0.04 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2dna h ILE 42 Cb 0.67 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2dna h ILE 42 CO -0.46 0.10 -0.01 0.00 0.00 0.00 0.00 178.15 177.78 2dna h ALA 43 N 1.55 1.22 -0.08 1.87 0.00 0.32 0.34 119.26 124.48 2dna h ALA 43 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2dna h ALA 43 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2dna h ALA 43 CO -0.38 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.13 2dna n THR 44 N -3.41 1.72 -4.25 0.00 -2.24 0.40 -4.98 114.28 101.52 2dna n THR 44 Ca -0.03 -1.83 -0.34 0.00 -2.27 0.00 0.00 64.05 59.58 2dna n THR 44 Cb 0.10 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.91 -0.23 -2.31 3.42 -0.08 0.46 -3.25 116.55 113.64 2dna n ASP 45 Ca 0.13 -1.27 -0.00 0.00 -1.51 0.00 0.00 54.79 52.14 2dna n ASP 45 Cb 0.60 -1.69 0.00 0.00 2.34 0.00 0.00 41.12 42.37 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 -2.45 -3.76 2.90 0.27 0.00 0.29 -4.97 105.19 97.47 2dna n GLY 46 Ca -0.28 0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.11 -1.46 0.17 1.61 -1.08 -1.20 -5.04 116.67 108.56 2dna s ASP 47 Ca 0.00 -1.41 -0.25 0.00 -0.52 0.00 0.00 52.55 50.37 2dna s ASP 47 Cb -0.00 1.90 0.03 0.00 -1.46 0.00 0.00 42.92 43.39 2dna s ASP 47 CO 0.52 -0.09 1.44 0.35 0.52 0.00 0.00 175.17 177.92 2dna n THR 48 N 3.41 -0.59 -0.15 1.71 -2.24 -1.26 0.93 114.28 116.09 2dna n THR 48 Ca 0.16 2.24 -0.05 0.00 -2.27 0.00 0.00 64.05 64.12 2dna n THR 48 Cb 0.56 -2.83 -0.04 0.00 -2.10 0.00 0.00 70.33 65.92 2dna n THR 48 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2dna h ASN 49 N 0.00 -0.92 -0.08 3.42 -1.24 -1.98 1.51 115.58 116.29 2dna h ASN 49 Ca 0.21 0.13 0.04 0.00 0.71 0.00 0.00 56.30 57.39 2dna h ASN 49 Cb 0.44 0.40 -0.06 0.00 0.73 0.00 0.00 38.32 39.83 2dna h ASN 49 CO -0.90 -0.13 -0.28 0.00 -1.29 0.00 0.00 177.43 174.84 2dna h ALA 50 N -0.47 -0.33 -0.67 1.57 0.00 -1.30 0.77 119.26 118.84 2dna h ALA 50 Ca 0.06 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.11 2dna h ALA 50 Cb 0.21 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.39 2dna h ALA 50 CO -0.37 -0.76 -0.26 0.00 0.00 0.00 0.00 179.25 177.86 2dna h ALA 51 N 0.47 0.23 0.64 0.00 0.00 0.24 1.05 119.26 121.89 2dna h ALA 51 Ca 0.09 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2dna h ALA 51 Cb 0.51 0.67 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2dna h ALA 51 CO -0.30 -0.54 -0.31 0.82 0.00 0.00 0.00 179.25 178.92 2dna h ILE 52 N -0.08 0.33 -0.73 0.00 2.04 0.32 0.19 117.51 119.58 2dna h ILE 52 Ca 0.29 -0.13 0.16 0.00 1.00 0.00 0.00 64.86 66.19 2dna h ILE 52 Cb 0.54 0.37 -0.13 0.00 -0.74 0.00 0.00 36.82 36.86 2dna h ILE 52 CO -0.72 0.02 -0.01 0.22 0.00 0.00 0.00 178.15 177.66 2dna h TYR 53 N -0.95 -0.08 0.57 1.37 3.20 0.20 0.52 116.97 121.80 2dna h TYR 53 Ca -0.09 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2dna h TYR 53 Cb 0.69 0.15 0.01 0.00 1.54 0.00 0.00 36.73 39.11 2dna h TYR 53 CO -0.01 -0.24 -0.27 0.87 -1.64 0.00 0.00 178.16 176.87 2dna h LYS 54 N 0.10 -0.74 -0.69 1.82 1.57 0.12 -1.68 116.57 117.07 2dna h LYS 54 Ca 0.40 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.29 2dna h LYS 54 Cb 0.68 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 33.07 2dna h LYS 54 CO -0.65 -0.49 -0.50 -0.07 -0.57 0.00 0.00 179.45 177.16 2dna h LEU 55 N -0.86 -1.79 -0.66 2.94 3.38 0.08 0.37 115.31 118.75 2dna h LEU 55 Ca -0.08 0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2dna h LEU 55 Cb 0.59 0.77 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 2dna h LEU 55 CO 0.13 -0.25 -0.46 0.11 0.09 0.00 0.00 178.44 178.05 2dna h LYS 56 N -0.12 -0.09 -0.96 1.13 1.57 -0.00 0.82 116.57 118.92 2dna h LYS 56 Ca 0.11 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.01 2dna h LYS 56 Cb 0.41 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.61 2dna h LYS 56 CO -0.71 -0.06 -0.52 1.03 -0.57 0.00 0.00 179.45 178.62 2dna h SER 57 N -0.09 -1.91 -3.82 0.86 0.87 -0.00 -3.40 113.55 106.06 2dna h SER 57 Ca 0.11 0.32 -0.46 0.00 -1.23 0.00 0.00 61.79 60.52 2dna h SER 57 Cb 0.37 0.88 0.17 0.00 -0.44 0.00 0.00 62.40 63.38 2dna h SER 57 CO -0.67 -0.26 0.17 -0.94 -0.53 0.00 0.00 176.83 174.60 2dna s SER 58 N -5.43 2.52 0.40 6.23 1.04 0.28 -5.06 113.70 113.69 2dna s SER 58 Ca -0.13 1.41 0.08 0.00 0.48 0.00 0.00 55.95 57.79 2dna s SER 58 Cb 0.14 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 2dna s SER 58 CO 0.65 -3.22 0.26 -1.10 0.98 0.00 0.00 173.24 170.81 2dna s GLN 59 N -4.82 2.40 0.00 4.02 1.11 -1.26 -4.89 119.66 116.22 2dna s GLN 59 Ca 0.65 -1.65 0.00 0.00 0.01 0.00 0.00 55.36 54.38 2dna s GLN 59 Cb -0.20 -2.20 0.00 0.00 -1.01 0.00 0.00 33.01 29.60 2dna s GLN 59 CO 0.59 -0.11 0.00 0.41 0.01 0.00 0.00 175.29 176.19 2dna n GLY 60 N -1.36 0.84 3.82 3.09 0.00 -1.26 -5.10 105.19 105.21 2dna n GLY 60 Ca 0.01 0.42 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 2dna n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dna s PHE 61 N 0.00 3.25 0.17 1.61 0.08 -1.26 -5.07 117.98 116.76 2dna s PHE 61 Ca 0.00 1.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.57 2dna s PHE 61 Cb 0.00 -2.90 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 2dna s PHE 61 CO 0.00 -0.43 0.17 -1.54 -0.10 0.00 0.00 175.22 173.32 2dna s SER 62 N -2.43 0.16 0.00 1.36 1.04 -1.26 -5.17 113.70 107.40 2dna s SER 62 Ca 0.62 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2dna s SER 62 Cb -0.12 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2dna s SER 62 CO 0.22 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2dna n GLY 63 N -0.21 0.74 3.56 7.32 0.00 -1.26 -4.94 105.19 110.41 2dna n GLY 63 Ca -0.03 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 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 1.58 3.10 -0.29 1.61 0.04 -1.26 -4.84 135.00 134.95 2dna s PRO 64 Ca 0.00 -0.83 -0.16 0.00 0.04 0.00 0.00 61.00 60.05 2dna s PRO 64 Cb 0.00 -5.24 0.14 0.00 0.04 0.00 0.00 34.50 29.44 2dna s PRO 64 CO 0.00 -2.83 0.94 -1.54 0.04 0.00 0.00 177.00 173.60 2dna s SER 65 N 6.33 -0.58 -0.66 6.66 1.04 -1.26 -5.09 113.70 120.14 2dna s SER 65 Ca 0.58 0.91 -0.30 0.00 0.48 0.00 0.00 55.95 57.62 2dna s SER 65 Cb -0.03 1.31 -0.14 0.00 0.10 0.00 0.00 66.02 67.26 2dna s SER 65 CO -0.03 -0.14 2.47 -0.24 0.98 0.00 0.00 173.24 176.28 2dna n SER 66 N 3.97 1.47 -0.75 7.02 2.88 -1.26 -5.08 113.62 121.87 2dna n SER 66 Ca -0.17 -0.03 0.09 0.00 -1.33 0.00 0.00 58.87 57.43 2dna n SER 66 Cb 0.57 -1.25 0.08 0.00 -0.75 0.00 0.00 64.21 62.86 2dna n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42