#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 3.31 -0.16 1.61 0.01 -1.26 -5.11 113.70 112.11 2dna s SER 2 Ca 0.00 -1.64 -0.10 0.00 1.31 0.00 0.00 55.95 55.52 2dna s SER 2 Cb 0.00 -0.37 0.05 0.00 0.21 0.00 0.00 66.02 65.91 2dna s SER 2 CO 0.00 -0.39 0.39 -0.55 0.41 0.00 0.00 173.24 173.10 2dna s SER 3 N 1.69 -0.48 0.45 2.44 0.15 -1.26 -5.07 113.70 111.63 2dna s SER 3 Ca 0.13 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.62 2dna s SER 3 Cb -0.19 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2dna s SER 3 CO -0.22 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2dna n GLY 4 N 4.01 1.38 3.61 9.45 0.00 -1.26 -4.85 105.19 117.54 2dna n GLY 4 Ca -0.22 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 2dna n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dna s SER 5 N -4.00 6.21 -0.10 1.61 0.15 -1.26 -4.96 113.70 111.36 2dna s SER 5 Ca 0.00 1.26 -0.03 0.00 0.70 0.00 0.00 55.95 57.88 2dna s SER 5 Cb 0.00 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 2dna s SER 5 CO 0.00 -1.46 0.09 -0.94 1.20 0.00 0.00 173.24 172.14 2dna s SER 6 N 4.72 1.48 -0.00 5.45 1.04 -1.26 -5.07 113.70 120.06 2dna s SER 6 Ca 0.71 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 57.00 2dna s SER 6 Cb -0.20 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.84 2dna s SER 6 CO 0.31 -0.29 0.08 0.61 0.98 0.00 0.00 173.24 174.94 2dna n GLY 7 N 5.30 0.62 0.19 7.32 0.00 -1.26 -5.03 105.19 112.33 2dna n GLY 7 Ca -0.05 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 2dna n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dna h PRO 8 N 0.00 0.63 -6.58 1.61 0.13 -2.01 -3.45 132.00 122.33 2dna h PRO 8 Ca -0.01 -0.61 -0.53 0.00 -0.87 0.00 0.00 66.00 63.98 2dna h PRO 8 Cb 0.08 0.16 0.03 0.00 0.13 0.00 0.00 31.00 31.40 2dna h PRO 8 CO 0.02 1.22 0.80 0.45 -0.23 0.00 0.00 178.00 180.26 2dna s SER 9 N -7.16 6.70 -0.16 1.44 0.15 -1.26 -4.14 113.70 109.27 2dna s SER 9 Ca -0.08 2.48 -0.00 0.00 0.70 0.00 0.00 55.95 59.05 2dna s SER 9 Cb 0.08 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2dna s SER 9 CO 0.90 -0.74 0.00 1.57 1.20 0.00 0.00 173.24 176.17 2dna n HIS 10 N 3.92 -2.08 0.00 3.44 -0.00 -1.26 -4.97 115.22 114.26 2dna n HIS 10 Ca 0.13 0.92 0.00 0.00 0.46 0.00 0.00 57.72 59.23 2dna n HIS 10 Cb 0.40 -2.81 0.00 0.00 -0.12 0.00 0.00 29.99 27.46 2dna n HIS 10 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2dna n SER 11 N 0.36 0.00 -3.53 0.26 2.88 -1.26 -4.87 113.62 107.47 2dna n SER 11 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2dna n SER 11 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.49 2dna n SER 11 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2dna n LEU 12 N 0.00 -2.95 -3.97 2.46 4.77 -1.26 -4.98 117.00 111.07 2dna n LEU 12 Ca 0.00 -0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 55.50 2dna n LEU 12 Cb 0.00 -1.83 -0.13 0.00 -2.33 0.00 0.00 43.42 39.12 2dna n LEU 12 CO 0.00 -0.13 -0.39 -1.58 -1.33 0.00 0.00 177.39 173.96 2dna s GLN 13 N -3.25 0.34 0.66 3.23 0.74 -1.26 -5.13 119.66 114.99 2dna s GLN 13 Ca 0.24 -0.33 -0.17 0.00 0.05 0.00 0.00 55.36 55.16 2dna s GLN 13 Cb -0.03 -0.24 -0.09 0.00 1.10 0.00 0.00 33.01 33.76 2dna s GLN 13 CO 0.87 0.06 0.26 0.00 -0.55 0.00 0.00 175.29 175.93 2dna n ALA 14 N 2.48 -2.14 0.03 1.58 0.00 -1.26 -4.81 120.51 116.39 2dna n ALA 14 Ca -0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 2dna n ALA 14 Cb 0.57 -1.68 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.20 -0.09 -0.99 0.00 0.13 -2.00 -1.92 132.00 126.93 2dna h PRO 15 Ca -0.44 0.01 0.33 0.00 -0.87 0.00 0.00 66.00 65.02 2dna h PRO 15 Cb 1.38 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.35 2dna h PRO 15 CO 0.42 -0.06 0.26 1.05 -0.23 0.00 0.00 178.00 179.43 2dna h GLU 16 N -0.30 0.02 -0.30 0.86 -0.00 -1.92 1.79 114.58 114.73 2dna h GLU 16 Ca -0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.31 2dna h GLU 16 Cb 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.80 2dna h GLU 16 CO 0.02 0.02 0.05 0.28 -0.00 0.00 0.00 179.01 179.37 2dna h VAL 17 N 0.02 1.23 -0.54 -1.06 2.07 -1.95 0.71 116.25 116.73 2dna h VAL 17 Ca 0.70 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2dna h VAL 17 Cb 1.65 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2dna h VAL 17 CO -0.84 0.26 0.09 -0.09 0.02 0.00 0.00 177.57 177.01 2dna h ARG 18 N 0.32 0.90 -1.02 1.57 2.43 0.28 -2.99 114.38 115.87 2dna h ARG 18 Ca 0.09 -0.24 -0.64 0.00 -0.81 0.00 0.00 59.98 58.38 2dna h ARG 18 Cb 0.34 -0.11 -0.34 0.00 -0.42 0.00 0.00 29.97 29.45 2dna h ARG 18 CO 0.01 0.87 0.29 1.19 -1.51 0.00 0.00 179.97 180.81 2dna n PHE 19 N -4.36 3.07 0.02 2.20 3.72 0.49 -4.65 117.46 117.95 2dna n PHE 19 Ca 0.02 -2.73 -0.09 0.00 -0.05 0.00 0.00 57.45 54.61 2dna n PHE 19 Cb 0.26 -1.03 -0.06 0.00 -0.94 0.00 0.00 39.48 37.71 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 2.16 -0.13 -1.23 4.37 4.64 0.59 -2.11 113.55 121.83 2dna h SER 20 Ca 0.52 -0.35 0.36 0.00 -0.47 0.00 0.00 61.79 61.85 2dna h SER 20 Cb 0.99 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 2dna h SER 20 CO 1.29 0.47 1.08 0.11 -0.87 0.00 0.00 176.83 178.91 2dna h LYS 21 N -0.95 0.00 0.00 4.77 6.56 -1.82 0.45 116.57 125.57 2dna h LYS 21 Ca -0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 2dna h LYS 21 Cb 0.48 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 2dna h LYS 21 CO 0.03 0.00 -0.15 0.93 -2.06 0.00 0.00 179.45 178.20 2dna h GLU 22 N 0.00 0.00 -1.10 3.15 3.07 -1.90 -3.19 114.58 114.62 2dna h GLU 22 Ca 0.59 0.00 0.31 0.00 -0.50 0.00 0.00 59.36 59.76 2dna h GLU 22 Cb 2.74 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 30.54 2dna h GLU 22 CO -0.01 0.54 0.70 0.52 -1.40 0.00 0.00 179.01 179.36 2dna h MET 23 N -1.00 0.32 -0.43 2.33 2.86 0.51 0.68 114.93 120.21 2dna h MET 23 Ca -0.03 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2dna h MET 23 Cb 0.60 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2dna h MET 23 CO -0.02 0.21 0.01 0.93 1.06 0.00 0.00 176.91 179.10 2dna h GLU 24 N 0.33 0.74 -0.16 1.72 4.39 -1.14 -0.84 114.58 119.61 2dna h GLU 24 Ca 0.66 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 60.10 2dna h GLU 24 Cb 1.75 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 2dna h GLU 24 CO -0.37 0.81 -0.02 0.00 -1.16 0.00 0.00 179.01 178.28 2dna h LEU 26 N 0.03 -0.58 -0.09 0.00 3.38 -0.08 -1.41 115.31 116.55 2dna h LEU 26 Ca 0.04 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2dna h LEU 26 Cb 0.42 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 2dna h LEU 26 CO 0.01 -0.20 -0.33 1.56 0.09 0.00 0.00 178.44 179.57 2dna h GLN 27 N -0.10 -0.41 -0.82 1.13 1.08 -1.02 -0.65 115.11 114.32 2dna h GLN 27 Ca 0.19 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.57 2dna h GLN 27 Cb 0.39 0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 27.77 2dna h GLN 27 CO -0.45 -0.27 -0.30 0.00 -0.95 0.00 0.00 178.83 176.86 2dna h ALA 28 N 0.35 0.28 -0.68 3.87 0.00 -0.70 1.42 119.26 123.81 2dna h ALA 28 Ca 0.08 0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.37 2dna h ALA 28 Cb 0.55 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2dna h ALA 28 CO -0.33 -0.54 0.45 0.52 0.00 0.00 0.00 179.25 179.35 2dna h MET 29 N -0.05 0.49 0.00 0.00 2.86 -0.44 -3.45 114.93 114.34 2dna h MET 29 Ca 0.34 -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 32.15 2dna h MET 29 CO -0.85 0.32 0.00 0.41 1.06 0.00 0.00 176.91 177.85 2dna n GLY 30 N -1.50 1.04 3.31 8.32 0.00 0.49 -5.04 105.19 111.82 2dna n GLY 30 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 1.77 -0.02 1.61 3.72 -0.35 -4.60 117.46 119.58 2dna n PHE 31 Ca 0.00 -1.43 -0.05 0.00 -0.05 0.00 0.00 57.45 55.92 2dna n PHE 31 Cb 0.00 -1.86 0.15 0.00 -0.94 0.00 0.00 39.48 36.83 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 5.13 1.27 -0.24 -4.37 -1.51 -1.81 -3.25 116.25 111.48 2dna h VAL 32 Ca 0.32 -1.33 -0.43 0.00 -1.23 0.00 0.00 66.70 64.02 2dna h VAL 32 Cb 0.76 1.33 -0.08 0.00 -2.13 0.00 0.00 31.29 31.18 2dna h VAL 32 CO 1.72 0.43 1.71 -3.20 -1.23 0.00 0.00 177.57 177.01 2dna n ASN 33 N -4.10 0.23 0.04 4.19 2.85 -1.26 -4.76 115.26 112.44 2dna n ASN 33 Ca -0.00 -0.19 -0.02 0.00 -0.11 0.00 0.00 54.58 54.26 2dna n ASN 33 Cb 0.43 -0.96 -0.01 0.00 1.24 0.00 0.00 39.78 40.48 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 12.84 -0.13 -0.86 1.20 3.20 -1.98 -1.05 116.97 130.18 2dna h TYR 34 Ca -0.05 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 61.99 2dna h TYR 34 Cb 1.24 0.04 -0.16 0.00 1.54 0.00 0.00 36.73 39.40 2dna h TYR 34 CO 1.15 -0.08 -0.19 -0.91 -1.64 0.00 0.00 178.16 176.49 2dna h ASN 35 N -0.47 -0.75 0.40 -2.11 4.21 -1.99 0.76 115.58 115.62 2dna h ASN 35 Ca -0.01 0.26 -0.02 0.00 1.21 0.00 0.00 56.30 57.73 2dna h ASN 35 Cb 0.11 0.52 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2dna h ASN 35 CO 0.02 -0.28 -0.20 0.00 -1.29 0.00 0.00 177.43 175.69 2dna h ALA 36 N 1.86 -1.14 -0.94 -0.83 0.00 -1.95 -1.85 119.26 114.41 2dna h ALA 36 Ca 0.42 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.31 2dna h ALA 36 Cb 0.67 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 2dna h ALA 36 CO -0.87 -1.10 -0.54 -0.91 0.00 0.00 0.00 179.25 175.82 2dna h ASN 37 N -0.54 -1.99 -0.34 0.00 2.35 0.16 0.13 115.58 115.36 2dna h ASN 37 Ca -0.05 0.32 0.03 0.00 -0.55 0.00 0.00 56.30 56.04 2dna h ASN 37 Cb 0.42 0.90 -0.04 0.00 0.05 0.00 0.00 38.32 39.64 2dna h ASN 37 CO 0.09 -0.26 -0.21 0.25 -1.65 0.00 0.00 177.43 175.65 2dna h LEU 38 N -0.04 -0.75 -0.98 1.61 6.46 0.53 0.48 115.31 122.61 2dna h LEU 38 Ca 0.19 0.11 0.14 0.00 -0.12 0.00 0.00 57.88 58.20 2dna h LEU 38 Cb 0.46 0.33 -0.15 0.00 -0.73 0.00 0.00 40.66 40.58 2dna h LEU 38 CO -0.91 -0.08 -0.43 0.00 -0.62 0.00 0.00 178.44 176.40 2dna n GLN 39 N -3.78 -0.27 0.10 1.25 6.02 -0.08 0.01 117.38 120.62 2dna n GLN 39 Ca 0.01 1.51 -0.14 0.00 -0.01 0.00 0.00 57.00 58.37 2dna n GLN 39 Cb 0.09 -2.24 -0.07 0.00 1.02 0.00 0.00 30.24 29.05 2dna n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dna h ALA 40 N 1.18 -0.68 -0.62 -1.58 0.00 0.47 0.64 119.26 118.67 2dna h ALA 40 Ca 0.30 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2dna h ALA 40 Cb 0.55 0.68 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 2dna h ALA 40 CO -0.97 -0.95 -0.50 -0.07 0.00 0.00 0.00 179.25 176.76 2dna h LEU 41 N -0.61 -1.74 -1.62 0.00 3.38 0.36 1.24 115.31 116.33 2dna h LEU 41 Ca 0.03 0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.34 2dna h LEU 41 Cb 0.65 0.76 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2dna h LEU 41 CO -0.26 -0.34 0.36 0.40 0.09 0.00 0.00 178.44 178.70 2dna h ILE 42 N -0.23 0.96 0.00 1.22 2.04 -0.11 1.57 117.51 122.96 2dna h ILE 42 Ca 0.15 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2dna h ILE 42 Cb 0.55 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2dna h ILE 42 CO -0.72 0.08 -0.19 0.00 0.00 0.00 0.00 178.15 177.32 2dna h ALA 43 N 1.71 1.29 -0.21 1.87 0.00 0.72 -2.10 119.26 122.53 2dna h ALA 43 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dna h ALA 43 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2dna h ALA 43 CO -0.06 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.68 2dna n THR 44 N -3.74 1.14 -3.91 0.00 -2.24 0.15 -4.99 114.28 100.70 2dna n THR 44 Ca -0.02 -1.13 -0.31 0.00 -2.27 0.00 0.00 64.05 60.33 2dna n THR 44 Cb 0.31 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.02 -2.49 -1.96 3.42 2.03 0.49 -3.54 116.55 114.52 2dna n ASP 45 Ca 0.09 -1.08 -0.02 0.00 0.52 0.00 0.00 54.79 54.30 2dna n ASP 45 Cb 0.42 -2.81 0.00 0.00 -0.72 0.00 0.00 41.12 38.01 2dna n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dna n GLY 46 N -1.96 -0.79 2.83 0.27 0.00 0.36 -4.98 105.19 100.93 2dna n GLY 46 Ca -0.21 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.81 1.06 0.04 1.61 -1.08 -1.23 -5.04 116.67 110.22 2dna s ASP 47 Ca 0.05 -0.66 -0.28 0.00 -0.52 0.00 0.00 52.55 51.14 2dna s ASP 47 Cb -0.01 0.78 -0.16 0.00 -1.46 0.00 0.00 42.92 42.07 2dna s ASP 47 CO 0.25 -0.36 1.42 0.71 0.52 0.00 0.00 175.17 177.70 2dna h THR 48 N 6.12 0.00 -0.29 1.71 1.35 -1.95 0.64 112.91 120.50 2dna h THR 48 Ca -0.10 -0.01 0.03 0.00 -0.55 0.00 0.00 66.41 65.78 2dna h THR 48 Cb 1.09 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 2dna h THR 48 CO 0.29 0.00 -0.19 0.78 -0.25 0.00 0.00 175.52 176.15 2dna h ASN 49 N -1.03 -0.69 -0.31 5.36 4.21 -1.98 1.38 115.58 122.51 2dna h ASN 49 Ca -0.10 0.10 0.07 0.00 1.21 0.00 0.00 56.30 57.58 2dna h ASN 49 Cb 0.79 0.30 -0.08 0.00 -1.12 0.00 0.00 38.32 38.21 2dna h ASN 49 CO 0.17 -0.09 -0.22 0.00 -1.29 0.00 0.00 177.43 176.00 2dna h ALA 50 N -0.59 -0.03 -0.47 -0.83 0.00 -1.99 0.21 119.26 115.55 2dna h ALA 50 Ca 0.05 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2dna h ALA 50 Cb 0.15 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2dna h ALA 50 CO -0.28 -0.62 -0.36 0.00 0.00 0.00 0.00 179.25 177.98 2dna h ALA 51 N 0.95 -0.21 0.31 0.00 0.00 0.27 0.87 119.26 121.44 2dna h ALA 51 Ca 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2dna h ALA 51 Cb 0.44 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2dna h ALA 51 CO -0.43 -0.75 -0.35 0.82 0.00 0.00 0.00 179.25 178.54 2dna h ILE 52 N -0.24 0.00 -0.88 0.00 2.04 0.30 0.31 117.51 119.04 2dna h ILE 52 Ca 0.18 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.24 2dna h ILE 52 Cb 0.56 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.47 2dna h ILE 52 CO -0.60 0.00 -0.13 -1.22 0.00 0.00 0.00 178.15 176.20 2dna n TYR 53 N -4.51 0.41 0.38 1.37 4.01 0.60 0.50 117.16 119.92 2dna n TYR 53 Ca -0.08 1.07 -0.15 0.00 -0.16 0.00 0.00 57.90 58.58 2dna n TYR 53 Cb 0.31 -1.07 -0.07 0.00 -0.31 0.00 0.00 39.34 38.20 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 -0.93 -0.31 -0.72 1.57 -0.27 -0.20 116.57 115.71 2dna h LYS 54 Ca 0.47 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.34 2dna h LYS 54 Cb 0.82 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 2dna h LYS 54 CO -0.88 -0.62 -0.35 -0.07 -0.57 0.00 0.00 179.45 176.96 2dna h LEU 55 N -1.01 -1.18 -0.72 2.94 3.38 0.15 0.30 115.31 119.17 2dna h LEU 55 Ca -0.10 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2dna h LEU 55 Cb 0.74 0.49 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 2dna h LEU 55 CO 0.16 -0.23 -0.49 0.11 0.09 0.00 0.00 178.44 178.08 2dna h LYS 56 N -0.21 -0.08 -0.54 1.13 1.79 0.03 0.60 116.57 119.29 2dna h LYS 56 Ca 0.05 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.60 2dna h LYS 56 Cb 0.35 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.92 2dna h LYS 56 CO -0.40 -0.05 -0.50 1.03 -1.08 0.00 0.00 179.45 178.45 2dna h SER 57 N -0.08 -1.70 -2.14 0.86 0.87 0.12 -3.01 113.55 108.47 2dna h SER 57 Ca 0.12 0.25 -0.52 0.00 -1.23 0.00 0.00 61.79 60.41 2dna h SER 57 Cb 0.38 0.74 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 2dna h SER 57 CO -0.72 -0.36 1.37 -0.44 -0.53 0.00 0.00 176.83 176.15 2dna s SER 58 N -5.15 5.35 -0.23 6.23 0.01 0.94 -4.02 113.70 116.83 2dna s SER 58 Ca -0.14 0.74 -0.02 0.00 1.31 0.00 0.00 55.95 57.83 2dna s SER 58 Cb 0.11 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.83 2dna s SER 58 CO 0.64 -2.24 0.05 0.00 0.41 0.00 0.00 173.24 172.10 2dna n GLN 59 N 8.93 -3.21 0.00 12.44 6.02 -1.25 -4.79 117.38 135.51 2dna n GLN 59 Ca 0.23 2.61 0.00 0.00 -0.01 0.00 0.00 57.00 59.83 2dna n GLN 59 Cb 0.51 -4.58 0.00 0.00 1.02 0.00 0.00 30.24 27.19 2dna n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dna n GLY 60 N 1.05 4.10 2.84 1.08 0.00 -1.14 -4.76 105.19 108.37 2dna n GLY 60 Ca -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.59 -2.62 1.61 7.35 -1.26 -4.66 117.46 115.29 2dna n PHE 61 Ca 0.00 1.37 -0.05 0.00 -0.76 0.00 0.00 57.45 58.01 2dna n PHE 61 Cb 0.00 -2.78 -0.04 0.00 0.35 0.00 0.00 39.48 37.01 2dna n PHE 61 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2dna n SER 62 N 1.61 -1.91 0.00 -2.13 2.88 -1.26 -5.04 113.62 107.76 2dna n SER 62 Ca -0.15 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 2dna n SER 62 Cb 0.32 -4.88 0.00 0.00 -0.75 0.00 0.00 64.21 58.90 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 1.83 -0.30 3.64 0.46 0.00 -1.26 -4.95 105.19 104.61 2dna n GLY 63 Ca -0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.10 3.98 -0.18 1.61 0.04 -1.26 -4.89 135.00 134.21 2dna s PRO 64 Ca 0.00 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.28 2dna s PRO 64 Cb 0.00 -3.87 -0.06 0.00 0.04 0.00 0.00 34.50 30.61 2dna s PRO 64 CO 0.00 -1.03 -0.28 0.45 0.04 0.00 0.00 177.00 176.18 2dna n SER 65 N 7.45 1.90 -3.67 6.66 2.88 -1.26 -5.05 113.62 122.53 2dna n SER 65 Ca 0.15 0.42 -0.14 0.00 -1.33 0.00 0.00 58.87 57.97 2dna n SER 65 Cb 0.46 -0.80 -0.08 0.00 -0.75 0.00 0.00 64.21 63.04 2dna n SER 65 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dna s SER 66 N -6.06 -0.52 0.00 -3.46 0.15 -1.26 -5.28 113.70 97.26 2dna s SER 66 Ca -0.26 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2dna s SER 66 Cb 0.05 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 2dna s SER 66 CO 0.38 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.13