#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 -0.44 -0.72 1.61 0.01 -1.26 -5.11 113.70 107.80 2dna s SER 2 Ca 0.00 0.01 -0.19 0.00 1.31 0.00 0.00 55.95 57.08 2dna s SER 2 Cb 0.00 1.16 0.12 0.00 0.21 0.00 0.00 66.02 67.51 2dna s SER 2 CO 0.00 -0.08 0.86 -0.55 0.41 0.00 0.00 173.24 173.89 2dna s SER 3 N 2.79 6.37 0.00 2.44 0.15 -1.26 -4.75 113.70 119.45 2dna s SER 3 Ca 0.25 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2dna s SER 3 Cb -0.01 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2dna s SER 3 CO -0.22 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 173.75 2dna n GLY 4 N 5.17 -3.30 3.17 9.45 0.00 -1.26 -4.96 105.19 113.46 2dna n GLY 4 Ca 0.03 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.00 5.80 -0.66 1.61 0.15 -1.26 -5.03 113.70 114.31 2dna s SER 5 Ca 0.00 -2.93 -0.28 0.00 0.70 0.00 0.00 55.95 53.44 2dna s SER 5 Cb 0.00 -1.97 0.03 0.00 -1.71 0.00 0.00 66.02 62.37 2dna s SER 5 CO 0.00 -0.40 1.23 -0.44 1.20 0.00 0.00 173.24 174.83 2dna s SER 6 N 1.01 6.30 0.00 5.45 0.01 -1.26 -4.83 113.70 120.38 2dna s SER 6 Ca 0.19 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2dna s SER 6 Cb -0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2dna s SER 6 CO -0.06 -1.66 0.00 0.61 0.41 0.00 0.00 173.24 172.54 2dna n GLY 7 N 5.22 0.16 0.17 3.44 0.00 -1.26 -4.97 105.19 107.96 2dna n GLY 7 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.32 -6.80 1.61 0.13 -2.07 -3.46 132.00 121.09 2dna h PRO 8 Ca 0.00 0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.59 2dna h PRO 8 Cb 0.00 0.07 0.18 0.00 0.13 0.00 0.00 31.00 31.38 2dna h PRO 8 CO 0.00 -0.19 -0.11 0.43 -0.23 0.00 0.00 178.00 177.90 2dna n SER 9 N -5.00 -0.19 -4.86 1.44 7.64 -1.26 -4.96 113.62 106.43 2dna n SER 9 Ca -0.04 0.66 -0.31 0.00 1.01 0.00 0.00 58.87 60.19 2dna n SER 9 Cb 0.14 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 61.99 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 -1.81 3.47 -0.57 1.43 -3.43 -1.26 -4.92 115.29 108.20 2dna s HIS 10 Ca 0.71 1.22 0.04 0.00 -0.80 0.00 0.00 55.06 56.23 2dna s HIS 10 Cb -0.36 -2.59 0.14 0.00 -1.43 0.00 0.00 32.58 28.34 2dna s HIS 10 CO 0.53 -0.23 0.32 0.45 -2.00 0.00 0.00 174.74 173.81 2dna s SER 11 N -3.16 4.42 -0.46 7.38 0.15 -1.26 -4.96 113.70 115.81 2dna s SER 11 Ca 0.54 -3.24 0.06 0.00 0.70 0.00 0.00 55.95 54.02 2dna s SER 11 Cb -0.10 -1.61 0.18 0.00 -1.71 0.00 0.00 66.02 62.78 2dna s SER 11 CO 0.32 -0.19 0.60 -0.22 1.20 0.00 0.00 173.24 174.95 2dna s LEU 12 N -0.59 -0.78 0.12 3.45 0.20 -1.26 -5.14 118.68 114.68 2dna s LEU 12 Ca 0.19 -1.78 0.07 0.00 0.69 0.00 0.00 54.13 53.30 2dna s LEU 12 Cb -0.20 1.32 -0.04 0.00 -0.43 0.00 0.00 46.19 46.84 2dna s LEU 12 CO -0.05 -0.12 -0.06 -1.58 -0.29 0.00 0.00 176.35 174.26 2dna s GLN 13 N 0.98 2.27 0.75 1.98 0.74 -1.26 -5.10 119.66 120.02 2dna s GLN 13 Ca 0.26 -1.03 -0.16 0.00 0.05 0.00 0.00 55.36 54.49 2dna s GLN 13 Cb -0.02 -2.35 -0.03 0.00 1.10 0.00 0.00 33.01 31.71 2dna s GLN 13 CO -0.08 0.50 0.50 0.00 -0.55 0.00 0.00 175.29 175.66 2dna n ALA 14 N 0.42 -1.69 0.06 1.58 0.00 -1.26 -4.91 120.51 114.72 2dna n ALA 14 Ca -0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 2dna n ALA 14 Cb 0.53 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.53 -0.22 -0.89 0.00 0.13 -1.99 -3.00 132.00 125.50 2dna h PRO 15 Ca -0.45 0.01 0.23 0.00 -0.87 0.00 0.00 66.00 64.93 2dna h PRO 15 Cb 1.34 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 2dna h PRO 15 CO 0.41 -0.14 0.33 1.05 -0.23 0.00 0.00 178.00 179.42 2dna h GLU 16 N -0.71 0.30 -0.80 0.86 -0.00 -1.92 1.19 114.58 113.49 2dna h GLU 16 Ca -0.02 -0.02 0.08 0.00 -0.00 0.00 0.00 59.36 59.40 2dna h GLU 16 Cb 0.17 -0.07 -0.05 0.00 -0.00 0.00 0.00 28.75 28.80 2dna h GLU 16 CO 0.04 0.20 0.52 0.28 -0.00 0.00 0.00 179.01 180.05 2dna h VAL 17 N 0.31 0.99 0.42 -1.06 2.07 -1.95 1.25 116.25 118.28 2dna h VAL 17 Ca 0.56 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.79 2dna h VAL 17 Cb 1.12 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2dna h VAL 17 CO -0.59 0.14 -0.20 -0.09 0.02 0.00 0.00 177.57 176.86 2dna h ARG 18 N 0.79 -0.54 -1.29 1.57 2.43 0.15 -3.28 114.38 114.21 2dna h ARG 18 Ca 0.36 0.04 -0.58 0.00 -0.81 0.00 0.00 59.98 58.98 2dna h ARG 18 Cb 0.35 0.12 -0.24 0.00 -0.42 0.00 0.00 29.97 29.78 2dna h ARG 18 CO -0.13 -0.28 0.75 1.19 -1.51 0.00 0.00 179.97 179.99 2dna n PHE 19 N -5.16 2.67 0.00 2.20 3.72 -0.09 -4.52 117.46 116.29 2dna n PHE 19 Ca -0.08 -2.62 -0.12 0.00 -0.05 0.00 0.00 57.45 54.57 2dna n PHE 19 Cb 0.26 -1.29 -0.09 0.00 -0.94 0.00 0.00 39.48 37.41 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 2.01 -0.08 -0.69 4.37 4.64 0.15 -1.63 113.55 122.33 2dna h SER 20 Ca 0.51 -0.54 0.20 0.00 -0.47 0.00 0.00 61.79 61.49 2dna h SER 20 Cb 0.75 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 2dna h SER 20 CO 1.32 0.56 0.79 0.50 -0.87 0.00 0.00 176.83 179.12 2dna h LYS 21 N -0.77 0.00 0.00 4.77 3.64 -1.82 0.15 116.57 122.53 2dna h LYS 21 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2dna h LYS 21 Cb 0.61 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2dna h LYS 21 CO 0.02 0.00 -0.44 0.93 -2.27 0.00 0.00 179.45 177.69 2dna h GLU 22 N 0.00 0.00 -1.44 1.90 3.07 -1.87 -3.09 114.58 113.15 2dna h GLU 22 Ca 0.33 0.00 0.42 0.00 -0.50 0.00 0.00 59.36 59.60 2dna h GLU 22 Cb 1.89 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.75 2dna h GLU 22 CO -0.00 0.54 1.04 0.52 -1.40 0.00 0.00 179.01 179.71 2dna h MET 23 N -1.00 0.00 0.12 2.33 2.86 0.24 0.83 114.93 120.30 2dna h MET 23 Ca -0.09 -0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.35 2dna h MET 23 Cb 0.73 -0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.41 2dna h MET 23 CO -0.06 0.00 -0.86 0.93 1.06 0.00 0.00 176.91 177.99 2dna h GLU 24 N 0.00 0.37 -0.90 1.72 5.08 -1.32 -2.42 114.58 117.12 2dna h GLU 24 Ca 0.69 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2dna h GLU 24 Cb 2.76 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 32.16 2dna h GLU 24 CO -0.01 1.24 0.54 0.00 -1.00 0.00 0.00 179.01 179.79 2dna h LEU 26 N 1.24 -1.04 -1.00 0.00 3.38 -0.43 -2.77 115.31 114.70 2dna h LEU 26 Ca 0.32 0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.62 2dna h LEU 26 Cb -0.05 0.27 -0.19 0.00 0.09 0.00 0.00 40.66 40.78 2dna h LEU 26 CO -0.06 -0.71 0.08 -0.61 0.09 0.00 0.00 178.44 177.23 2dna h GLN 27 N -1.29 0.00 -0.47 1.13 -0.00 -1.20 1.21 115.11 114.49 2dna h GLN 27 Ca -0.13 -0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.62 2dna h GLN 27 Cb 0.94 -0.00 -0.09 0.00 0.00 0.00 0.00 27.48 28.33 2dna h GLN 27 CO 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 178.83 178.93 2dna h ALA 28 N 2.00 0.33 -0.52 3.38 0.00 -1.13 0.28 119.26 123.59 2dna h ALA 28 Ca 0.63 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.78 2dna h ALA 28 Cb 1.37 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 2dna h ALA 28 CO -0.92 -0.44 0.35 0.52 0.00 0.00 0.00 179.25 178.76 2dna h MET 29 N 0.01 0.49 0.00 0.00 2.86 0.16 -3.45 114.93 114.99 2dna h MET 29 Ca 0.23 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2dna h MET 29 Cb 0.35 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2dna h MET 29 CO -0.48 0.32 0.00 0.41 1.06 0.00 0.00 176.91 178.22 2dna n GLY 30 N -1.49 0.99 3.55 8.32 0.00 1.00 -4.67 105.19 112.88 2dna n GLY 30 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 2.47 0.33 1.61 3.72 -1.15 -4.62 117.46 119.83 2dna n PHE 31 Ca 0.00 -1.36 0.14 0.00 -0.05 0.00 0.00 57.45 56.18 2dna n PHE 31 Cb 0.00 -2.54 0.40 0.00 -0.94 0.00 0.00 39.48 36.40 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 6.07 0.00 -0.66 -4.37 -1.51 -1.87 -3.23 116.25 110.69 2dna h VAL 32 Ca 0.21 -0.68 -0.16 0.00 -1.23 0.00 0.00 66.70 64.84 2dna h VAL 32 Cb 0.92 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 2dna h VAL 32 CO 1.27 0.00 0.60 -0.46 -1.23 0.00 0.00 177.57 177.75 2dna n ASN 33 N -2.86 1.73 0.14 4.19 6.94 -1.26 -4.76 115.26 119.39 2dna n ASN 33 Ca 0.03 -1.14 -0.07 0.00 -0.02 0.00 0.00 54.58 53.39 2dna n ASN 33 Cb 0.41 -1.57 -0.03 0.00 -2.36 0.00 0.00 39.78 36.24 2dna n ASN 33 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 2dna h TYR 34 N 14.50 -0.40 -1.06 -2.53 3.20 -1.98 0.36 116.97 129.06 2dna h TYR 34 Ca -0.06 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.11 2dna h TYR 34 Cb 1.09 0.13 -0.13 0.00 1.54 0.00 0.00 36.73 39.36 2dna h TYR 34 CO 1.12 -0.25 0.64 -0.97 -1.64 0.00 0.00 178.16 177.07 2dna h ASN 35 N -0.91 0.49 0.21 -2.11 -1.24 -1.99 1.17 115.58 111.20 2dna h ASN 35 Ca -0.04 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2dna h ASN 35 Cb 0.33 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2dna h ASN 35 CO 0.07 -0.04 -0.10 0.00 -1.29 0.00 0.00 177.43 176.06 2dna h ALA 36 N 1.73 -0.41 -0.65 1.57 0.00 -1.94 -2.68 119.26 116.89 2dna h ALA 36 Ca 0.70 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.65 2dna h ALA 36 Cb 1.70 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.48 2dna h ALA 36 CO -0.48 -0.39 -0.39 -0.91 0.00 0.00 0.00 179.25 177.09 2dna h ASN 37 N -0.71 -1.35 -0.49 0.00 2.35 0.88 0.23 115.58 116.50 2dna h ASN 37 Ca -0.03 0.25 0.05 0.00 -0.55 0.00 0.00 56.30 56.02 2dna h ASN 37 Cb 0.22 0.65 -0.08 0.00 0.05 0.00 0.00 38.32 39.16 2dna h ASN 37 CO 0.05 -0.31 -0.53 0.25 -1.65 0.00 0.00 177.43 175.24 2dna h LEU 38 N -0.16 -1.80 -0.40 1.61 6.46 0.12 0.73 115.31 121.87 2dna h LEU 38 Ca 0.22 0.24 0.08 0.00 -0.12 0.00 0.00 57.88 58.31 2dna h LEU 38 Cb 0.56 0.75 -0.09 0.00 -0.73 0.00 0.00 40.66 41.15 2dna h LEU 38 CO -0.73 -0.35 -0.23 1.56 -0.62 0.00 0.00 178.44 178.07 2dna h GLN 39 N -0.30 -0.15 -0.12 1.25 4.20 -0.64 0.22 115.11 119.57 2dna h GLN 39 Ca 0.08 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.85 2dna h GLN 39 Cb 0.52 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 2dna h GLN 39 CO -0.62 -0.10 -0.30 0.00 -0.67 0.00 0.00 178.83 177.14 2dna h ALA 40 N 1.06 -0.34 -0.22 3.87 0.00 0.14 0.34 119.26 124.12 2dna h ALA 40 Ca 0.19 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2dna h ALA 40 Cb 0.46 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2dna h ALA 40 CO -0.50 -0.77 -0.43 -0.07 0.00 0.00 0.00 179.25 177.48 2dna h LEU 41 N -0.38 -1.41 -1.22 0.00 3.38 0.16 0.42 115.31 116.26 2dna h LEU 41 Ca 0.09 0.18 0.23 0.00 0.09 0.00 0.00 57.88 58.47 2dna h LEU 41 Cb 0.52 0.56 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 2dna h LEU 41 CO -0.33 -0.35 0.63 0.40 0.09 0.00 0.00 178.44 178.88 2dna h ILE 42 N -0.38 0.59 -0.23 1.22 2.04 -0.50 1.45 117.51 121.71 2dna h ILE 42 Ca 0.04 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2dna h ILE 42 Cb 0.50 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2dna h ILE 42 CO -0.41 0.10 0.15 0.00 0.00 0.00 0.00 178.15 177.99 2dna h ALA 43 N 1.65 1.83 -0.33 1.87 0.00 0.38 -0.35 119.26 124.31 2dna h ALA 43 Ca 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2dna h ALA 43 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2dna h ALA 43 CO -0.34 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.31 2dna n THR 44 N -4.50 2.04 -4.28 0.00 -2.24 0.43 -4.96 114.28 100.78 2dna n THR 44 Ca 0.00 -1.62 -0.32 0.00 -2.27 0.00 0.00 64.05 59.84 2dna n THR 44 Cb 0.07 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.11 0.05 -1.59 3.42 2.03 0.23 -3.18 116.55 117.40 2dna n ASP 45 Ca 0.20 -1.21 -0.01 0.00 0.52 0.00 0.00 54.79 54.30 2dna n ASP 45 Cb 0.82 -1.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 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 -2.18 -0.77 2.94 0.27 0.00 -0.29 -4.97 105.19 100.20 2dna n GLY 46 Ca -0.24 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.09 0.10 0.08 1.61 -1.08 -1.19 -5.05 116.67 110.06 2dna s ASP 47 Ca 0.02 -0.28 -0.37 0.00 -0.52 0.00 0.00 52.55 51.40 2dna s ASP 47 Cb -0.00 1.24 -0.18 0.00 -1.46 0.00 0.00 42.92 42.51 2dna s ASP 47 CO 0.05 -0.35 1.57 0.71 0.52 0.00 0.00 175.17 177.67 2dna h THR 48 N 6.14 0.01 -0.33 1.71 1.35 -1.95 0.70 112.91 120.54 2dna h THR 48 Ca -0.08 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.81 2dna h THR 48 Cb 1.13 0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.52 2dna h THR 48 CO 0.25 0.00 -0.25 0.78 -0.25 0.00 0.00 175.52 176.05 2dna h ASN 49 N -1.13 -0.89 -0.27 5.36 2.35 -1.98 1.26 115.58 120.27 2dna h ASN 49 Ca -0.09 0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 2dna h ASN 49 Cb 0.93 0.38 -0.07 0.00 0.05 0.00 0.00 38.32 39.61 2dna h ASN 49 CO 0.04 -0.13 -0.25 0.00 -1.65 0.00 0.00 177.43 175.43 2dna h ALA 50 N -0.52 -0.12 -0.48 -0.83 0.00 -1.96 0.24 119.26 115.59 2dna h ALA 50 Ca 0.05 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2dna h ALA 50 Cb 0.22 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 2dna h ALA 50 CO -0.35 -0.67 -0.36 0.00 0.00 0.00 0.00 179.25 177.87 2dna h ALA 51 N 0.82 -0.21 0.20 0.00 0.00 0.24 0.25 119.26 120.56 2dna h ALA 51 Ca 0.15 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dna h ALA 51 Cb 0.47 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2dna h ALA 51 CO -0.41 -0.75 -0.21 0.82 0.00 0.00 0.00 179.25 178.70 2dna h ILE 52 N -0.24 0.00 -0.89 0.00 2.04 0.27 0.31 117.51 119.00 2dna h ILE 52 Ca 0.18 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.28 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 -0.61 0.00 -0.01 -1.22 0.00 0.00 0.00 178.15 176.31 2dna n TYR 53 N -3.61 0.54 0.28 1.37 4.01 0.73 0.59 117.16 121.08 2dna n TYR 53 Ca -0.05 1.07 -0.11 0.00 -0.16 0.00 0.00 57.90 58.65 2dna n TYR 53 Cb 0.19 -1.15 -0.05 0.00 -0.31 0.00 0.00 39.34 38.02 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 -0.70 -0.52 -0.72 1.57 0.03 -1.23 116.57 115.00 2dna h LYS 54 Ca 0.53 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.41 2dna h LYS 54 Cb 1.06 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 2dna h LYS 54 CO -0.85 -0.47 -0.47 -0.07 -0.57 0.00 0.00 179.45 177.03 2dna h LEU 55 N -0.86 -1.62 -0.63 2.94 3.38 0.25 0.15 115.31 118.93 2dna h LEU 55 Ca -0.07 0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2dna h LEU 55 Cb 0.56 0.69 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 2dna h LEU 55 CO 0.12 -0.27 -0.47 0.11 0.09 0.00 0.00 178.44 178.01 2dna h LYS 56 N -0.20 -0.13 -0.91 1.13 1.79 0.10 0.51 116.57 118.87 2dna h LYS 56 Ca 0.09 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.67 2dna h LYS 56 Cb 0.43 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 30.98 2dna h LYS 56 CO -0.60 -0.09 -0.52 0.77 -1.08 0.00 0.00 179.45 177.94 2dna h SER 57 N -0.13 -1.88 -4.20 0.86 0.02 0.14 -3.39 113.55 104.97 2dna h SER 57 Ca 0.10 0.31 -0.53 0.00 -0.84 0.00 0.00 61.79 60.83 2dna h SER 57 Cb 0.40 0.86 0.15 0.00 0.14 0.00 0.00 62.40 63.96 2dna h SER 57 CO -0.66 -0.27 0.37 -0.55 -1.14 0.00 0.00 176.83 174.58 2dna s SER 58 N -5.40 4.15 0.24 3.07 0.15 0.17 -5.02 113.70 111.07 2dna s SER 58 Ca -0.13 2.27 -0.02 0.00 0.70 0.00 0.00 55.95 58.78 2dna s SER 58 Cb 0.14 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 2dna s SER 58 CO 0.65 -2.29 0.46 -1.58 1.20 0.00 0.00 173.24 171.67 2dna s GLN 59 N -4.06 3.56 -0.15 5.44 0.74 -1.26 -4.88 119.66 119.04 2dna s GLN 59 Ca 0.72 -0.23 -0.04 0.00 0.05 0.00 0.00 55.36 55.86 2dna s GLN 59 Cb -0.27 -2.76 0.07 0.00 1.10 0.00 0.00 33.01 31.15 2dna s GLN 59 CO 0.47 0.32 0.23 0.20 -0.55 0.00 0.00 175.29 175.96 2dna s GLY 60 N -3.22 -0.05 -0.67 2.59 0.00 -1.26 -5.09 107.32 99.62 2dna s GLY 60 Ca 0.40 0.63 -0.26 0.00 0.00 0.00 0.00 44.72 45.50 2dna s GLY 60 CO 0.30 2.00 1.96 -0.12 0.00 0.00 0.00 173.10 177.24 2dna s PHE 61 N 2.37 1.60 -0.27 1.90 2.19 -1.26 -4.88 117.98 119.63 2dna s PHE 61 Ca 0.04 0.89 -0.22 0.00 0.33 0.00 0.00 56.93 57.97 2dna s PHE 61 Cb -0.13 -4.00 0.08 0.00 -1.31 0.00 0.00 43.02 37.66 2dna s PHE 61 CO -0.09 -2.19 0.75 0.45 1.83 0.00 0.00 175.22 175.97 2dna s SER 62 N 8.66 -0.77 0.85 6.13 0.15 -1.26 -5.16 113.70 122.31 2dna s SER 62 Ca 0.72 1.39 -0.14 0.00 0.70 0.00 0.00 55.95 58.62 2dna s SER 62 Cb -0.12 1.38 0.01 0.00 -1.71 0.00 0.00 66.02 65.58 2dna s SER 62 CO 0.16 -0.23 0.50 0.61 1.20 0.00 0.00 173.24 175.48 2dna n GLY 63 N 3.14 -1.70 3.66 9.45 0.00 -1.26 -4.88 105.19 113.60 2dna n GLY 63 Ca -0.16 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.32 4.24 -0.38 1.61 0.04 -1.26 -4.95 135.00 130.97 2dna s PRO 64 Ca 0.61 1.68 0.07 0.00 0.04 0.00 0.00 61.00 63.41 2dna s PRO 64 Cb -0.27 -3.76 0.18 0.00 0.04 0.00 0.00 34.50 30.69 2dna s PRO 64 CO 0.63 -0.70 0.62 0.45 0.04 0.00 0.00 177.00 178.04 2dna s SER 65 N 2.00 -1.50 -0.12 6.66 0.15 -1.26 -5.14 113.70 114.49 2dna s SER 65 Ca 0.55 -0.59 -0.02 0.00 0.70 0.00 0.00 55.95 56.59 2dna s SER 65 Cb -0.22 1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 66.01 2dna s SER 65 CO 0.16 -0.20 -0.03 -0.44 1.20 0.00 0.00 173.24 173.93 2dna s SER 66 N 2.05 4.95 0.00 5.45 0.01 -1.26 -5.04 113.70 119.86 2dna s SER 66 Ca 0.15 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2dna s SER 66 Cb -0.05 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2dna s SER 66 CO -0.11 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.43