#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm0 n SER 2 N 0.00 1.20 -3.83 1.61 2.88 -1.26 -5.06 113.62 109.16 2dm0 n SER 2 Ca 0.00 0.20 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 2dm0 n SER 2 Cb 0.00 -0.46 -0.14 0.00 -0.75 0.00 0.00 64.21 62.86 2dm0 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dm0 s SER 3 N -6.14 -0.05 -0.81 -3.46 0.01 -1.26 -5.10 113.70 96.89 2dm0 s SER 3 Ca -0.18 0.12 -0.21 0.00 1.31 0.00 0.00 55.95 57.00 2dm0 s SER 3 Cb 0.05 0.10 0.09 0.00 0.21 0.00 0.00 66.02 66.47 2dm0 s SER 3 CO 0.23 -0.05 1.08 -0.83 0.41 0.00 0.00 173.24 174.09 2dm0 s GLY 4 N 0.29 1.60 -0.16 3.44 0.00 -1.26 -4.83 107.32 106.40 2dm0 s GLY 4 Ca -0.02 -2.28 -0.21 0.00 0.00 0.00 0.00 44.72 42.21 2dm0 s GLY 4 CO -0.01 2.10 0.42 0.23 0.00 0.00 0.00 173.10 175.85 2dm0 h SER 5 N 9.28 0.12 -3.40 1.64 0.87 -2.04 -3.48 113.55 116.53 2dm0 h SER 5 Ca -0.05 -0.72 0.02 0.00 -1.23 0.00 0.00 61.79 59.81 2dm0 h SER 5 Cb 1.04 -0.04 -0.24 0.00 -0.44 0.00 0.00 62.40 62.73 2dm0 h SER 5 CO 1.17 1.45 0.27 -0.94 -0.53 0.00 0.00 176.83 178.26 2dm0 s SER 6 N -6.79 -0.63 0.00 6.23 1.04 -1.26 -5.16 113.70 107.13 2dm0 s SER 6 Ca -0.24 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2dm0 s SER 6 Cb 0.04 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.35 2dm0 s SER 6 CO 0.67 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.30 2dm0 n GLY 7 N 2.80 1.49 3.57 7.32 0.00 -1.26 -4.68 105.19 114.43 2dm0 n GLY 7 Ca -0.15 0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 2dm0 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm0 s ASN 8 N 0.00 -0.02 -0.52 1.61 -0.87 -1.26 -5.06 114.94 108.83 2dm0 s ASN 8 Ca 0.00 -0.99 0.02 0.00 -1.57 0.00 0.00 52.86 50.32 2dm0 s ASN 8 Cb 0.00 0.58 0.47 0.00 -0.02 0.00 0.00 41.25 42.28 2dm0 s ASN 8 CO 0.00 -1.14 1.74 0.29 -2.57 0.00 0.00 177.10 175.41 2dm0 n LYS 9 N -0.39 2.89 -0.20 -0.60 5.02 -1.26 -4.66 118.16 118.96 2dm0 n LYS 9 Ca -0.01 -3.54 -0.09 0.00 -2.02 0.00 0.00 58.31 52.65 2dm0 n LYS 9 Cb 0.62 -2.25 0.02 0.00 -0.02 0.00 0.00 35.03 33.40 2dm0 n LYS 9 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2dm0 h ILE 10 N 1.36 1.27 -3.63 -0.18 1.08 -2.08 -3.43 117.51 111.91 2dm0 h ILE 10 Ca 0.51 -1.14 -0.51 0.00 -0.39 0.00 0.00 64.86 63.34 2dm0 h ILE 10 Cb 1.21 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 2dm0 h ILE 10 CO 1.23 0.41 0.31 -0.89 -0.69 0.00 0.00 178.15 178.52 2dm0 s THR 11 N -5.02 4.31 -0.25 -0.27 2.01 -1.26 -5.04 115.64 110.12 2dm0 s THR 11 Ca -0.12 1.98 -0.09 0.00 0.31 0.00 0.00 61.69 63.77 2dm0 s THR 11 Cb 0.13 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2dm0 s THR 11 CO 0.85 0.44 0.12 0.54 -0.69 0.00 0.00 174.62 175.88 2dm0 s ASN 12 N -0.71 5.59 0.00 3.53 2.20 -1.26 -4.90 114.94 119.39 2dm0 s ASN 12 Ca 0.42 -0.08 0.00 0.00 -0.94 0.00 0.00 52.86 52.26 2dm0 s ASN 12 Cb -0.24 -2.02 0.00 0.00 -2.00 0.00 0.00 41.25 36.99 2dm0 s ASN 12 CO 0.30 -0.01 0.00 0.18 -2.94 0.00 0.00 177.10 174.62 2dm0 n LEU 13 N 4.80 0.05 -0.32 3.54 4.77 -1.26 -4.77 117.00 123.80 2dm0 n LEU 13 Ca -0.15 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 55.99 2dm0 n LEU 13 Cb 0.52 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.96 2dm0 n LEU 13 CO 0.32 0.01 1.09 1.05 -1.33 0.00 0.00 177.39 178.53 2dm0 h GLU 14 N 0.00 0.43 -1.19 3.23 4.11 -1.90 0.41 114.58 119.67 2dm0 h GLU 14 Ca 0.00 -0.03 0.34 0.00 0.07 0.00 0.00 59.36 59.75 2dm0 h GLU 14 Cb 0.63 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2dm0 h GLU 14 CO 0.00 0.29 0.85 -0.84 0.07 0.00 0.00 179.01 179.38 2dm0 h ILE 15 N 0.45 0.40 -4.21 -1.06 3.07 -1.96 -3.41 117.51 110.80 2dm0 h ILE 15 Ca 0.61 -0.01 -0.46 0.00 1.55 0.00 0.00 64.86 66.55 2dm0 h ILE 15 Cb 1.19 0.38 0.13 0.00 -0.27 0.00 0.00 36.82 38.25 2dm0 h ILE 15 CO -0.52 0.00 0.39 -0.31 -1.05 0.00 0.00 178.15 176.66 2dm0 s TYR 16 N -4.97 2.28 -0.11 0.16 2.02 0.14 -5.03 117.35 111.84 2dm0 s TYR 16 Ca -0.05 0.50 0.09 0.00 -0.37 0.00 0.00 57.07 57.23 2dm0 s TYR 16 Cb 0.23 -3.75 -0.13 0.00 -0.40 0.00 0.00 41.96 37.91 2dm0 s TYR 16 CO 0.81 -2.15 0.02 -0.85 -1.57 0.00 0.00 175.55 171.81 2dm0 n GLU 17 N -3.48 2.05 0.00 -0.62 0.28 -1.26 -4.44 120.64 113.17 2dm0 n GLU 17 Ca 0.12 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.19 2dm0 n GLU 17 Cb 0.60 -1.28 0.45 0.00 1.43 0.00 0.00 31.44 32.64 2dm0 n GLU 17 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 2dm0 n TRP 18 N -2.45 0.00 -3.51 -1.84 4.27 -1.26 -3.49 117.44 109.16 2dm0 n TRP 18 Ca -0.18 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.04 2dm0 n TRP 18 Cb 0.84 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.75 2dm0 n TRP 18 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 2dm0 n TYR 19 N -0.80 4.35 -2.40 -2.67 9.36 -1.26 0.13 117.16 123.88 2dm0 n TYR 19 Ca 0.11 -3.97 -0.37 0.00 3.32 0.00 0.00 57.90 56.99 2dm0 n TYR 19 Cb 0.05 -1.27 -0.04 0.00 -0.63 0.00 0.00 39.34 37.45 2dm0 n TYR 19 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 2dm0 s HIS 20 N -1.51 2.27 0.27 2.98 3.76 0.63 -4.78 115.29 118.90 2dm0 s HIS 20 Ca 0.29 -0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.91 2dm0 s HIS 20 Cb -0.06 -4.49 -0.04 0.00 1.11 0.00 0.00 32.58 29.10 2dm0 s HIS 20 CO -0.09 -1.92 0.47 -0.98 -0.85 0.00 0.00 174.74 171.36 2dm0 s ARG 21 N 5.70 3.53 -0.48 1.40 1.70 -1.26 -4.01 118.95 125.53 2dm0 s ARG 21 Ca 0.52 -0.29 -0.02 0.00 -0.47 0.00 0.00 55.73 55.47 2dm0 s ARG 21 Cb -0.03 -2.75 0.00 0.00 -0.57 0.00 0.00 34.95 31.60 2dm0 s ARG 21 CO -0.03 0.29 0.42 -1.71 -1.08 0.00 0.00 175.30 173.18 2dm0 n ASN 22 N -1.10 -3.03 -3.59 -2.89 2.85 -1.26 -5.04 115.26 101.20 2dm0 n ASN 22 Ca -0.04 -0.21 -0.23 0.00 -0.11 0.00 0.00 54.58 53.99 2dm0 n ASN 22 Cb 0.55 -2.20 -0.07 0.00 1.24 0.00 0.00 39.78 39.29 2dm0 n ASN 22 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2dm0 n ILE 23 N -2.96 0.00 -4.26 -1.44 -5.35 -1.26 -5.16 119.36 98.93 2dm0 n ILE 23 Ca -0.04 -2.37 -0.14 0.00 -0.27 0.00 0.00 62.75 59.93 2dm0 n ILE 23 Cb 0.54 0.98 -0.10 0.00 -1.74 0.00 0.00 39.64 39.32 2dm0 n ILE 23 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2dm0 s THR 24 N -3.17 0.42 0.18 7.28 -1.32 -1.26 -4.98 115.64 112.78 2dm0 s THR 24 Ca 0.28 -1.99 -0.24 0.00 -1.21 0.00 0.00 61.69 58.53 2dm0 s THR 24 Cb 0.01 -2.45 0.05 0.00 -1.51 0.00 0.00 72.50 68.61 2dm0 s THR 24 CO 0.20 -0.14 1.45 -1.14 -2.21 0.00 0.00 174.62 172.78 2dm0 n ARG 25 N -0.34 -0.34 -0.21 7.08 0.63 -1.26 0.36 116.66 122.58 2dm0 n ARG 25 Ca -0.01 1.43 0.00 0.00 -0.92 0.00 0.00 57.85 58.35 2dm0 n ARG 25 Cb 0.65 -2.11 0.09 0.00 0.45 0.00 0.00 32.46 31.54 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2dm0 h ASN 26 N 0.00 -0.39 0.41 6.15 2.35 -1.99 -0.64 115.58 121.48 2dm0 h ASN 26 Ca 0.22 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 56.12 2dm0 h ASN 26 Cb 0.46 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2dm0 h ASN 26 CO -0.90 -0.15 -0.20 1.56 -1.65 0.00 0.00 177.43 176.08 2dm0 h GLN 27 N 0.07 -0.54 -0.15 0.81 1.08 -0.49 0.82 115.11 116.71 2dm0 h GLN 27 Ca 0.32 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.57 2dm0 h GLN 27 Cb 0.51 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 2dm0 h GLN 27 CO -0.57 -0.30 -0.30 0.00 -0.95 0.00 0.00 178.83 176.71 2dm0 h ALA 28 N -0.11 -0.62 -0.13 3.87 0.00 0.13 0.25 119.26 122.65 2dm0 h ALA 28 Ca -0.06 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2dm0 h ALA 28 Cb 0.48 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2dm0 h ALA 28 CO 0.09 -0.74 -0.12 0.93 0.00 0.00 0.00 179.25 179.42 2dm0 h GLU 29 N -0.26 -0.13 -0.05 0.00 5.08 -1.19 -2.97 114.58 115.06 2dm0 h GLU 29 Ca 0.03 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2dm0 h GLU 29 Cb 0.34 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2dm0 h GLU 29 CO -0.28 -0.09 -0.21 1.25 -1.00 0.00 0.00 179.01 178.68 2dm0 h HIS 30 N -0.13 -0.64 -0.83 4.33 2.76 -0.33 0.13 115.15 120.44 2dm0 h HIS 30 Ca 0.09 0.02 0.34 0.00 -2.20 0.00 0.00 60.37 58.62 2dm0 h HIS 30 Cb 0.26 0.29 -0.15 0.00 1.55 0.00 0.00 27.41 29.36 2dm0 h HIS 30 CO -0.24 -0.22 0.41 1.28 -1.30 0.00 0.00 177.93 177.86 2dm0 n LEU 31 N -3.69 0.25 0.02 0.26 4.77 0.84 0.70 117.00 120.15 2dm0 n LEU 31 Ca -0.02 1.38 -0.12 0.00 -0.03 0.00 0.00 56.01 57.22 2dm0 n LEU 31 Cb 0.15 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 2dm0 n LEU 31 CO 0.03 -1.53 0.48 -0.07 -1.33 0.00 0.00 177.39 174.97 2dm0 h LEU 32 N 0.00 -0.10 -0.99 2.23 3.38 -0.98 -3.25 115.31 115.60 2dm0 h LEU 32 Ca 0.69 -0.48 0.36 0.00 0.09 0.00 0.00 57.88 58.54 2dm0 h LEU 32 Cb 1.79 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 42.39 2dm0 h LEU 32 CO -0.65 0.48 0.46 0.03 0.09 0.00 0.00 178.44 178.85 2dm0 h ARG 33 N -0.75 0.10 -0.71 1.13 2.47 0.28 0.87 114.38 117.77 2dm0 h ARG 33 Ca -0.01 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 2dm0 h ARG 33 Cb 0.57 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.81 2dm0 h ARG 33 CO 0.02 0.07 0.40 1.96 0.56 0.00 0.00 179.97 182.98 2dm0 h GLN 34 N 0.10 0.71 -0.05 0.04 4.20 -1.40 -2.72 115.11 115.99 2dm0 h GLN 34 Ca 0.77 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.42 2dm0 h GLN 34 Cb 1.89 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.50 2dm0 h GLN 34 CO -0.74 0.47 -0.03 0.93 -0.67 0.00 0.00 178.83 178.79 2dm0 h GLU 35 N 0.73 0.11 -6.32 1.46 5.08 0.64 -3.47 114.58 112.80 2dm0 h GLU 35 Ca 0.32 -0.05 -0.46 0.00 -1.00 0.00 0.00 59.36 58.18 2dm0 h GLU 35 Cb 0.21 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.49 2dm0 h GLU 35 CO -0.19 0.51 -0.91 -1.13 -1.00 0.00 0.00 179.01 176.29 2dm0 n SER 36 N -4.80 -2.84 -3.56 1.42 3.41 -0.62 -4.98 113.62 101.66 2dm0 n SER 36 Ca -0.07 -0.99 -0.00 0.00 -0.26 0.00 0.00 58.87 57.54 2dm0 n SER 36 Cb 0.25 -3.32 -0.04 0.00 -0.26 0.00 0.00 64.21 60.84 2dm0 n SER 36 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2dm0 s LYS 37 N -6.21 0.55 0.09 4.33 -2.85 -1.26 -4.94 119.74 109.44 2dm0 s LYS 37 Ca 0.23 1.32 -0.21 0.00 -1.00 0.00 0.00 55.97 56.31 2dm0 s LYS 37 Cb -0.08 0.79 -0.12 0.00 -2.06 0.00 0.00 37.83 36.36 2dm0 s LYS 37 CO 0.87 -0.25 0.46 -1.91 0.10 0.00 0.00 175.35 174.62 2dm0 n GLU 38 N 5.40 0.00 0.00 1.78 2.13 -1.25 -2.35 120.64 126.35 2dm0 n GLU 38 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2dm0 n GLU 38 Cb 0.50 -0.77 0.00 0.00 0.27 0.00 0.00 31.44 31.43 2dm0 n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm0 n GLY 39 N 1.23 3.12 3.51 8.31 0.00 -1.05 -4.65 105.19 115.66 2dm0 n GLY 39 Ca 0.12 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2dm0 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 n ALA 40 N 0.00 0.40 -2.40 4.61 0.00 -0.99 -3.72 120.51 118.41 2dm0 n ALA 40 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 2dm0 n ALA 40 Cb 0.00 -2.48 -0.10 0.00 0.00 0.00 0.00 19.45 16.87 2dm0 n ALA 40 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dm0 s PHE 41 N 9.64 1.86 0.24 0.00 -0.12 -1.08 0.52 117.98 129.04 2dm0 s PHE 41 Ca 1.28 -0.69 -0.20 0.00 -0.05 0.00 0.00 56.93 57.26 2dm0 s PHE 41 Cb -1.02 -1.03 0.03 0.00 -0.63 0.00 0.00 43.02 40.37 2dm0 s PHE 41 CO 0.44 0.26 0.65 0.96 -0.05 0.00 0.00 175.22 177.48 2dm0 s ILE 42 N -3.04 0.00 -0.01 -4.49 -4.36 -0.84 -2.78 121.20 105.68 2dm0 s ILE 42 Ca 0.28 -0.85 0.02 0.00 -0.26 0.00 0.00 60.65 59.84 2dm0 s ILE 42 Cb 0.03 -1.79 -0.00 0.00 1.25 0.00 0.00 42.46 41.95 2dm0 s ILE 42 CO 0.11 -0.02 -0.05 -0.69 0.24 0.00 0.00 174.94 174.52 2dm0 s VAL 43 N -3.90 0.45 0.28 8.37 1.01 0.35 -2.16 120.40 124.81 2dm0 s VAL 43 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2dm0 s VAL 43 Cb -0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2dm0 s VAL 43 CO 0.02 0.14 0.32 0.00 0.00 0.00 0.00 175.10 175.58 2dm0 s ARG 44 N 0.02 1.60 -0.10 2.72 1.70 -0.98 0.23 118.95 124.14 2dm0 s ARG 44 Ca 0.00 -1.72 -0.13 0.00 -0.47 0.00 0.00 55.73 53.41 2dm0 s ARG 44 Cb -0.04 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 2dm0 s ARG 44 CO -0.00 -0.61 0.32 0.34 -1.08 0.00 0.00 175.30 174.26 2dm0 s ASP 45 N -3.22 6.56 0.63 -2.89 2.15 -1.26 -2.73 116.67 115.91 2dm0 s ASP 45 Ca 0.35 0.67 -0.18 0.00 0.43 0.00 0.00 52.55 53.82 2dm0 s ASP 45 Cb 0.03 -2.19 -0.02 0.00 -0.30 0.00 0.00 42.92 40.43 2dm0 s ASP 45 CO 0.18 0.21 1.20 -0.44 -0.17 0.00 0.00 175.17 176.15 2dm0 s SER 46 N -0.23 4.97 -0.20 -0.34 0.01 0.96 -4.91 113.70 113.96 2dm0 s SER 46 Ca 0.19 2.36 -0.03 0.00 1.31 0.00 0.00 55.95 59.78 2dm0 s SER 46 Cb -0.14 -2.59 -0.20 0.00 0.21 0.00 0.00 66.02 63.29 2dm0 s SER 46 CO 0.07 -1.74 0.01 0.54 0.41 0.00 0.00 173.24 172.53 2dm0 n ARG 47 N -1.88 0.69 -0.29 12.44 5.12 -1.26 -4.37 116.66 127.10 2dm0 n ARG 47 Ca 0.13 0.21 -0.00 0.00 -1.93 0.00 0.00 57.85 56.26 2dm0 n ARG 47 Cb 0.50 -1.60 0.12 0.00 -1.16 0.00 0.00 32.46 30.32 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.12 -1.93 0.00 0.00 177.63 176.82 2dm0 h HIS 48 N -0.05 0.90 -2.99 -1.55 2.07 -1.97 -3.43 115.15 108.13 2dm0 h HIS 48 Ca -0.52 0.03 -0.13 0.00 -2.85 0.00 0.00 60.37 56.90 2dm0 h HIS 48 Cb 1.92 -0.29 -0.03 0.00 2.57 0.00 0.00 27.41 31.58 2dm0 h HIS 48 CO 0.05 0.46 -0.04 1.28 -3.07 0.00 0.00 177.93 176.60 2dm0 n LEU 49 N -4.66 0.00 -1.56 6.12 4.77 -1.26 -4.77 117.00 115.64 2dm0 n LEU 49 Ca 0.11 -1.49 -0.01 0.00 -0.03 0.00 0.00 56.01 54.59 2dm0 n LEU 49 Cb 0.17 1.45 -0.01 0.00 -2.33 0.00 0.00 43.42 42.70 2dm0 n LEU 49 CO 0.31 -0.36 0.96 0.61 -1.33 0.00 0.00 177.39 177.58 2dm0 n GLY 50 N -0.30 2.39 2.94 -0.72 0.00 -1.26 -4.25 105.19 103.99 2dm0 n GLY 50 Ca -0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2dm0 n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dm0 n SER 51 N 1.59 1.53 -4.24 1.61 2.88 -1.26 -4.92 113.62 110.81 2dm0 n SER 51 Ca 0.02 -2.13 -0.15 0.00 -1.33 0.00 0.00 58.87 55.28 2dm0 n SER 51 Cb 0.49 -0.34 -0.10 0.00 -0.75 0.00 0.00 64.21 63.51 2dm0 n SER 51 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2dm0 s TYR 52 N -1.76 1.28 -0.09 0.66 2.02 -1.25 -0.03 117.35 118.19 2dm0 s TYR 52 Ca 0.46 -0.69 -0.08 0.00 -0.37 0.00 0.00 57.07 56.39 2dm0 s TYR 52 Cb -0.04 -0.66 0.02 0.00 -0.40 0.00 0.00 41.96 40.89 2dm0 s TYR 52 CO 0.29 0.10 0.24 0.99 -1.57 0.00 0.00 175.55 175.60 2dm0 s THR 53 N -2.93 -0.00 -0.12 -0.71 2.01 -1.10 -0.38 115.64 112.42 2dm0 s THR 53 Ca 0.14 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.16 2dm0 s THR 53 Cb -0.00 -0.34 -0.00 0.00 0.01 0.00 0.00 72.50 72.17 2dm0 s THR 53 CO 0.01 0.00 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.11 2dm0 s ILE 54 N 0.13 2.31 -0.31 1.82 1.01 0.27 -2.32 121.20 124.11 2dm0 s ILE 54 Ca -0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 2dm0 s ILE 54 Cb -0.02 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.55 2dm0 s ILE 54 CO 0.00 0.55 0.11 -0.44 0.00 0.00 0.00 174.94 175.16 2dm0 s SER 55 N 0.45 5.28 -0.11 3.58 0.01 -0.92 -0.53 113.70 121.46 2dm0 s SER 55 Ca -0.15 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 2dm0 s SER 55 Cb -0.17 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2dm0 s SER 55 CO 0.06 -0.21 -0.02 -0.69 0.41 0.00 0.00 173.24 172.78 2dm0 s VAL 56 N 1.52 4.07 -0.32 3.43 1.01 -1.02 -1.99 120.40 127.10 2dm0 s VAL 56 Ca 0.03 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 2dm0 s VAL 56 Cb -0.17 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2dm0 s VAL 56 CO 0.04 0.57 0.75 0.12 0.00 0.00 0.00 175.10 176.58 2dm0 s PHE 57 N -0.45 3.18 -0.04 5.22 5.36 0.18 -1.33 117.98 130.09 2dm0 s PHE 57 Ca 0.08 0.69 -0.15 0.00 -0.96 0.00 0.00 56.93 56.58 2dm0 s PHE 57 Cb -0.12 -3.23 -0.09 0.00 -0.34 0.00 0.00 43.02 39.24 2dm0 s PHE 57 CO 0.02 -0.60 0.62 0.52 -1.46 0.00 0.00 175.22 174.32 2dm0 h MET 58 N 8.24 -0.43 0.00 10.12 2.86 -0.75 -2.79 114.93 132.18 2dm0 h MET 58 Ca -0.25 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2dm0 h MET 58 Cb 1.10 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2dm0 h MET 58 CO 0.87 -0.22 0.00 0.41 1.06 0.00 0.00 176.91 179.03 2dm0 n GLY 59 N 0.55 3.60 3.48 8.32 0.00 -1.23 -3.86 105.19 116.03 2dm0 n GLY 59 Ca -0.06 -1.42 -0.44 0.00 0.00 0.00 0.00 46.02 44.10 2dm0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 s ALA 60 N -0.49 3.51 -1.30 4.61 0.00 -1.25 -4.51 121.76 122.33 2dm0 s ALA 60 Ca 0.00 -2.93 -0.14 0.00 0.00 0.00 0.00 51.96 48.89 2dm0 s ALA 60 Cb 0.00 -4.17 0.12 0.00 0.00 0.00 0.00 23.12 19.07 2dm0 s ALA 60 CO 0.00 -3.00 1.76 0.54 0.00 0.00 0.00 175.76 175.06 2dm0 n ARG 61 N 6.61 3.27 -1.81 0.00 5.12 -1.26 -4.55 116.66 124.05 2dm0 n ARG 61 Ca 0.31 -3.39 0.00 0.00 -1.93 0.00 0.00 57.85 52.84 2dm0 n ARG 61 Cb 0.47 -3.20 0.00 0.00 -1.16 0.00 0.00 32.46 28.56 2dm0 n ARG 61 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2dm0 n ARG 62 N 6.23 -2.11 0.05 5.56 3.00 -1.26 -4.54 116.66 123.58 2dm0 n ARG 62 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 2dm0 n ARG 62 Cb 0.42 -4.03 0.00 0.00 0.00 0.00 0.00 32.46 28.85 2dm0 n ARG 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2dm0 n SER 63 N -0.48 0.97 -3.84 6.15 7.64 -1.26 -5.09 113.62 117.71 2dm0 n SER 63 Ca 0.00 0.15 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 2dm0 n SER 63 Cb 0.28 -0.27 -0.15 0.00 -1.01 0.00 0.00 64.21 63.06 2dm0 n SER 63 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dm0 s THR 64 N -1.94 0.05 1.00 0.44 -4.23 -1.26 -5.14 115.64 104.56 2dm0 s THR 64 Ca 0.00 0.06 -0.21 0.00 -1.18 0.00 0.00 61.69 60.35 2dm0 s THR 64 Cb 0.00 -0.10 -0.14 0.00 1.34 0.00 0.00 72.50 73.60 2dm0 s THR 64 CO 0.00 0.06 -0.98 -1.84 -0.54 0.00 0.00 174.62 171.32 2dm0 n GLU 65 N 3.56 -0.13 -0.79 3.99 0.00 -1.26 -3.92 120.64 122.08 2dm0 n GLU 65 Ca -0.19 -0.03 -0.32 0.00 0.00 0.00 0.00 57.16 56.61 2dm0 n GLU 65 Cb 0.55 -1.11 -0.05 0.00 0.00 0.00 0.00 31.44 30.83 2dm0 n GLU 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dm0 n ALA 66 N -3.11 -0.47 -2.79 -1.84 0.00 -1.26 -4.50 120.51 106.53 2dm0 n ALA 66 Ca -0.01 0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 2dm0 n ALA 66 Cb 0.64 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 2dm0 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm0 s ALA 67 N 1.85 3.44 -0.04 0.00 0.00 -1.26 -4.93 121.76 120.82 2dm0 s ALA 67 Ca 0.53 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 2dm0 s ALA 67 Cb -0.74 -1.76 0.03 0.00 0.00 0.00 0.00 23.12 20.65 2dm0 s ALA 67 CO 0.38 0.41 0.01 0.42 0.00 0.00 0.00 175.76 176.98 2dm0 s ILE 68 N -0.34 0.19 0.31 0.00 1.01 -1.26 0.01 121.20 121.12 2dm0 s ILE 68 Ca 0.08 0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.93 2dm0 s ILE 68 Cb -0.12 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 2dm0 s ILE 68 CO 0.02 0.17 0.40 -0.54 0.00 0.00 0.00 174.94 175.00 2dm0 s LYS 69 N 1.35 3.12 -0.26 2.79 3.01 -0.44 -4.95 119.74 124.36 2dm0 s LYS 69 Ca -0.05 -1.00 -0.02 0.00 -1.01 0.00 0.00 55.97 53.89 2dm0 s LYS 69 Cb -0.13 -2.77 0.08 0.00 -1.01 0.00 0.00 37.83 34.00 2dm0 s LYS 69 CO -0.02 0.17 0.07 -1.01 0.51 0.00 0.00 175.35 175.07 2dm0 s HIS 70 N -2.15 1.26 -0.35 3.18 3.76 -1.26 -2.44 115.29 117.29 2dm0 s HIS 70 Ca 0.41 -1.25 -0.15 0.00 -0.15 0.00 0.00 55.06 53.93 2dm0 s HIS 70 Cb -0.09 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 2dm0 s HIS 70 CO 0.30 -0.75 0.35 0.71 -0.85 0.00 0.00 174.74 174.49 2dm0 s TYR 71 N 1.78 3.21 0.05 1.40 2.02 0.31 -4.90 117.35 121.21 2dm0 s TYR 71 Ca 0.05 -0.10 -0.26 0.00 -0.37 0.00 0.00 57.07 56.38 2dm0 s TYR 71 Cb -0.17 -2.65 -0.05 0.00 -0.40 0.00 0.00 41.96 38.68 2dm0 s TYR 71 CO -0.19 -0.45 0.81 -0.65 -1.57 0.00 0.00 175.55 173.50 2dm0 s GLN 72 N 1.97 4.53 -0.38 -0.62 -0.21 -1.26 -0.56 119.66 123.13 2dm0 s GLN 72 Ca 0.11 1.14 -0.17 0.00 0.02 0.00 0.00 55.36 56.46 2dm0 s GLN 72 Cb -0.17 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.47 2dm0 s GLN 72 CO 0.12 0.25 0.47 0.42 -2.12 0.00 0.00 175.29 174.43 2dm0 s ILE 73 N 0.01 5.05 0.42 1.08 1.01 0.49 -4.70 121.20 124.56 2dm0 s ILE 73 Ca 0.40 0.06 0.08 0.00 0.00 0.00 0.00 60.65 61.19 2dm0 s ILE 73 Cb -0.21 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2dm0 s ILE 73 CO 0.24 -0.28 0.39 -0.54 0.00 0.00 0.00 174.94 174.76 2dm0 s LYS 74 N 2.27 2.56 -0.05 2.79 1.02 -1.07 -3.83 119.74 123.42 2dm0 s LYS 74 Ca 0.16 -1.52 0.04 0.00 0.02 0.00 0.00 55.97 54.67 2dm0 s LYS 74 Cb -0.16 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 2dm0 s LYS 74 CO 0.14 -0.20 -0.17 0.21 -0.92 0.00 0.00 175.35 174.40 2dm0 s LYS 75 N -4.15 2.51 0.66 1.68 2.20 -1.26 -2.05 119.74 119.33 2dm0 s LYS 75 Ca 0.49 -0.76 -0.08 0.00 -0.36 0.00 0.00 55.97 55.26 2dm0 s LYS 75 Cb -0.04 -2.32 0.15 0.00 -1.51 0.00 0.00 37.83 34.11 2dm0 s LYS 75 CO 0.28 0.55 0.91 0.27 -0.36 0.00 0.00 175.35 177.00 2dm0 n ASN 76 N 2.50 0.40 -0.05 1.43 6.94 -0.46 -4.84 115.26 121.19 2dm0 n ASN 76 Ca -0.17 -1.53 0.01 0.00 -0.02 0.00 0.00 54.58 52.87 2dm0 n ASN 76 Cb 0.52 -0.66 0.31 0.00 -2.36 0.00 0.00 39.78 37.58 2dm0 n ASN 76 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2dm0 h ASP 77 N -1.00 0.58 -0.14 0.53 3.32 -2.01 -1.21 116.42 116.48 2dm0 h ASP 77 Ca -0.29 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2dm0 h ASP 77 Cb 0.89 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2dm0 h ASP 77 CO 0.24 0.55 0.00 -1.20 -1.72 0.00 0.00 179.24 177.11 2dm0 n SER 78 N -4.34 1.95 -3.51 6.45 7.64 -1.26 -4.88 113.62 115.67 2dm0 n SER 78 Ca 0.03 -2.19 -0.20 0.00 1.01 0.00 0.00 58.87 57.53 2dm0 n SER 78 Cb 0.17 -0.48 0.06 0.00 -1.01 0.00 0.00 64.21 62.95 2dm0 n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm0 n GLY 79 N 0.25 -0.61 3.22 0.23 0.00 -0.46 -5.01 105.19 102.82 2dm0 n GLY 79 Ca 0.07 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 2dm0 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dm0 s GLN 80 N -5.41 2.31 0.05 1.61 -0.21 -1.26 -4.86 119.66 111.89 2dm0 s GLN 80 Ca 0.17 -0.80 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 2dm0 s GLN 80 Cb -0.03 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 2dm0 s GLN 80 CO 0.78 0.32 0.98 -1.58 -2.12 0.00 0.00 175.29 173.66 2dm0 s TRP 81 N -0.06 3.72 -0.03 0.91 0.52 -0.96 -1.35 118.94 121.69 2dm0 s TRP 81 Ca -0.05 1.73 -0.18 0.00 0.02 0.00 0.00 56.10 57.63 2dm0 s TRP 81 Cb -0.13 -3.10 0.03 0.00 -1.15 0.00 0.00 33.47 29.12 2dm0 s TRP 81 CO 0.03 0.05 0.38 1.52 0.02 0.00 0.00 176.95 178.96 2dm0 s TYR 82 N 0.56 -0.29 -0.05 -1.98 -0.85 -0.87 -0.21 117.35 113.67 2dm0 s TYR 82 Ca 0.50 0.48 -0.03 0.00 -0.52 0.00 0.00 57.07 57.51 2dm0 s TYR 82 Cb -0.22 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.25 2dm0 s TYR 82 CO 0.29 -0.41 -0.07 0.28 -1.52 0.00 0.00 175.55 174.12 2dm0 n VAL 83 N 1.34 0.35 1.58 -3.49 0.31 -1.26 -2.60 118.33 114.56 2dm0 n VAL 83 Ca -0.20 -0.05 0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2dm0 n VAL 83 Cb 0.56 -1.58 0.76 0.00 -0.91 0.00 0.00 33.84 32.68 2dm0 n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dm0 n ALA 84 N -3.26 2.45 -1.99 3.52 0.00 -1.26 -4.86 120.51 115.11 2dm0 n ALA 84 Ca -0.10 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 52.98 2dm0 n ALA 84 Cb 0.55 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 2dm0 n ALA 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dm0 n GLU 85 N -1.06 -1.59 0.00 0.00 1.02 -1.26 -4.74 120.64 113.02 2dm0 n GLU 85 Ca 0.18 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.41 2dm0 n GLU 85 Cb 0.12 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 25.93 2dm0 n GLU 85 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dm0 n ARG 86 N -2.67 1.53 -3.97 3.49 1.74 -1.26 -5.00 116.66 110.52 2dm0 n ARG 86 Ca -0.22 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.55 2dm0 n ARG 86 Cb 0.67 -0.73 -0.15 0.00 -1.02 0.00 0.00 32.46 31.23 2dm0 n ARG 86 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2dm0 s HIS 87 N -1.46 3.15 0.10 -1.55 3.76 -1.26 -5.11 115.29 112.91 2dm0 s HIS 87 Ca 0.00 -2.51 -0.14 0.00 -0.15 0.00 0.00 55.06 52.26 2dm0 s HIS 87 Cb 0.00 -2.37 -0.06 0.00 1.11 0.00 0.00 32.58 31.25 2dm0 s HIS 87 CO 0.00 -0.90 0.49 0.00 -0.85 0.00 0.00 174.74 173.48 2dm0 s ALA 88 N 1.12 3.63 0.33 -1.40 0.00 -1.26 -4.50 121.76 119.69 2dm0 s ALA 88 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2dm0 s ALA 88 Cb -0.19 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2dm0 s ALA 88 CO -0.10 0.48 0.01 1.19 0.00 0.00 0.00 175.76 177.33 2dm0 n PHE 89 N 1.13 0.73 -0.02 0.00 3.01 0.71 -4.92 117.46 118.10 2dm0 n PHE 89 Ca -0.08 -1.63 0.02 0.00 1.01 0.00 0.00 57.45 56.77 2dm0 n PHE 89 Cb 0.52 -0.22 -0.09 0.00 -0.01 0.00 0.00 39.48 39.68 2dm0 n PHE 89 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2dm0 n GLN 90 N -0.84 0.92 -4.06 -1.08 6.02 -1.26 -2.26 117.38 114.82 2dm0 n GLN 90 Ca -0.13 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.00 56.66 2dm0 n GLN 90 Cb 0.42 -1.29 -0.11 0.00 1.02 0.00 0.00 30.24 30.28 2dm0 n GLN 90 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dm0 s SER 91 N -3.69 0.78 0.12 1.08 0.01 -1.26 -4.82 113.70 105.93 2dm0 s SER 91 Ca -0.05 -0.58 -0.20 0.00 1.31 0.00 0.00 55.95 56.43 2dm0 s SER 91 Cb 0.06 0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.29 2dm0 s SER 91 CO 0.49 -0.24 1.75 0.40 0.41 0.00 0.00 173.24 176.05 2dm0 h ILE 92 N 4.39 0.97 0.00 1.44 1.08 -1.96 -1.24 117.51 122.19 2dm0 h ILE 92 Ca -0.35 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2dm0 h ILE 92 Cb 1.20 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2dm0 h ILE 92 CO 0.43 0.03 0.00 -0.81 -0.69 0.00 0.00 178.15 177.11 2dm0 n PRO 93 N -5.03 0.49 -0.12 2.37 -0.04 -1.26 -2.57 135.00 128.84 2dm0 n PRO 93 Ca -0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 2dm0 n PRO 93 Cb 0.06 -1.44 -0.13 0.00 -0.04 0.00 0.00 33.50 31.95 2dm0 n PRO 93 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dm0 n GLU 94 N -0.94 0.66 -0.15 0.54 -0.58 -0.50 -3.59 120.64 116.07 2dm0 n GLU 94 Ca 0.10 0.11 0.01 0.00 -0.42 0.00 0.00 57.16 56.96 2dm0 n GLU 94 Cb 0.05 -1.52 0.28 0.00 -0.57 0.00 0.00 31.44 29.68 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dm0 h LEU 95 N 0.00 0.76 0.00 -4.62 6.46 -1.19 -1.54 115.31 115.18 2dm0 h LEU 95 Ca -0.57 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.16 2dm0 h LEU 95 Cb 1.98 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.72 2dm0 h LEU 95 CO -0.06 0.57 -0.56 -0.38 -0.62 0.00 0.00 178.44 177.40 2dm0 n ILE 96 N -4.41 0.27 -0.33 4.05 2.08 -1.24 -3.33 119.36 116.44 2dm0 n ILE 96 Ca 0.06 -0.21 -0.02 0.00 0.56 0.00 0.00 62.75 63.15 2dm0 n ILE 96 Cb 0.06 -0.08 0.11 0.00 -0.75 0.00 0.00 39.64 38.98 2dm0 n ILE 96 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 2dm0 h TRP 97 N 0.00 1.11 0.00 1.39 -0.00 -1.33 -2.63 115.95 114.48 2dm0 h TRP 97 Ca 0.00 0.03 -0.23 0.00 -0.00 0.00 0.00 58.89 58.69 2dm0 h TRP 97 Cb 0.68 -0.37 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 2dm0 h TRP 97 CO 0.00 0.66 -1.31 0.66 -0.00 0.00 0.00 178.44 178.45 2dm0 n TYR 98 N -4.50 0.91 -0.31 2.65 4.02 -1.23 -4.31 117.16 114.40 2dm0 n TYR 98 Ca 0.11 0.39 0.12 0.00 -0.01 0.00 0.00 57.90 58.51 2dm0 n TYR 98 Cb 0.07 -1.06 0.23 0.00 -0.02 0.00 0.00 39.34 38.56 2dm0 n TYR 98 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2dm0 n HIS 99 N -4.43 0.51 -0.17 -0.72 8.25 -1.21 0.88 115.22 118.34 2dm0 n HIS 99 Ca -0.32 1.07 -0.03 0.00 -0.26 0.00 0.00 57.72 58.19 2dm0 n HIS 99 Cb 0.66 -1.13 0.04 0.00 1.12 0.00 0.00 29.99 30.67 2dm0 n HIS 99 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2dm0 h GLN 100 N 0.00 -0.00 -0.04 -0.41 4.20 -1.66 -2.08 115.11 115.12 2dm0 h GLN 100 Ca 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 2dm0 h GLN 100 Cb 1.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 2dm0 h GLN 100 CO -0.85 -0.00 -0.01 1.25 -0.67 0.00 0.00 178.83 178.55 2dm0 h HIS 101 N -0.00 0.09 -3.17 2.96 2.76 0.30 -3.41 115.15 114.68 2dm0 h HIS 101 Ca 0.25 -0.02 -0.36 0.00 -2.20 0.00 0.00 60.37 58.04 2dm0 h HIS 101 Cb 0.38 -0.02 -0.38 0.00 1.55 0.00 0.00 27.41 28.94 2dm0 h HIS 101 CO -0.44 0.43 -0.71 -0.80 -1.30 0.00 0.00 177.93 175.11 2dm0 s ASN 102 N -5.66 1.23 -0.83 3.26 0.01 -0.30 -5.06 114.94 107.59 2dm0 s ASN 102 Ca -0.15 0.03 -0.25 0.00 -0.71 0.00 0.00 52.86 51.78 2dm0 s ASN 102 Cb 0.03 -0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.63 2dm0 s ASN 102 CO 0.69 -0.27 1.98 0.00 -1.51 0.00 0.00 177.10 177.99 2dm0 s ALA 103 N 2.21 1.67 -0.44 0.60 0.00 -1.03 -3.86 121.76 120.91 2dm0 s ALA 103 Ca 0.04 -1.25 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 2dm0 s ALA 103 Cb -0.13 -4.50 -0.01 0.00 0.00 0.00 0.00 23.12 18.48 2dm0 s ALA 103 CO -0.05 -4.73 1.67 0.00 0.00 0.00 0.00 175.76 172.65 2dm0 s ALA 104 N 10.35 2.76 0.00 0.00 0.00 -1.26 -3.41 121.76 130.20 2dm0 s ALA 104 Ca 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2dm0 s ALA 104 Cb -0.09 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2dm0 s ALA 104 CO 0.05 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.34 2dm0 n GLY 105 N 5.38 2.41 3.82 0.00 0.00 -1.26 -4.82 105.19 110.72 2dm0 n GLY 105 Ca 0.20 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2dm0 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm0 s LEU 106 N 0.00 4.02 -0.03 0.99 1.02 -1.22 -5.02 118.68 118.43 2dm0 s LEU 106 Ca 0.00 1.62 -0.07 0.00 0.02 0.00 0.00 54.13 55.70 2dm0 s LEU 106 Cb 0.00 -4.37 -0.04 0.00 0.02 0.00 0.00 46.19 41.80 2dm0 s LEU 106 CO 0.00 -0.29 0.40 -0.03 0.02 0.00 0.00 176.35 176.45 2dm0 h MET 107 N 2.15 -0.25 -6.56 1.70 1.85 -1.95 -3.43 114.93 108.44 2dm0 h MET 107 Ca -0.49 0.02 -0.52 0.00 -0.61 0.00 0.00 59.70 58.10 2dm0 h MET 107 Cb 1.18 0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.27 2dm0 h MET 107 CO 0.62 -0.16 0.49 0.99 -0.40 0.00 0.00 176.91 178.44 2dm0 s THR 108 N -2.40 4.08 -0.11 -0.77 2.01 -1.26 -4.88 115.64 112.31 2dm0 s THR 108 Ca -0.04 1.64 -0.04 0.00 0.31 0.00 0.00 61.69 63.56 2dm0 s THR 108 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2dm0 s THR 108 CO 0.11 0.21 0.05 0.00 -0.69 0.00 0.00 174.62 174.30 2dm0 s ARG 109 N 0.29 3.27 -0.22 4.92 1.70 -1.26 -4.86 118.95 122.80 2dm0 s ARG 109 Ca 0.53 -0.32 -0.34 0.00 -0.47 0.00 0.00 55.73 55.12 2dm0 s ARG 109 Cb -0.28 -2.97 -0.11 0.00 -0.57 0.00 0.00 34.95 31.02 2dm0 s ARG 109 CO 0.32 0.65 2.03 1.28 -1.08 0.00 0.00 175.30 178.50 2dm0 n LEU 110 N 2.33 2.88 0.00 -1.89 4.77 -1.26 -4.74 117.00 119.08 2dm0 n LEU 110 Ca -0.19 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2dm0 n LEU 110 Cb 0.54 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2dm0 n LEU 110 CO 0.30 -0.42 -0.50 -2.11 -1.33 0.00 0.00 177.39 173.33 2dm0 n ARG 111 N 7.42 0.00 -3.56 3.23 1.85 -1.26 -4.70 116.66 119.64 2dm0 n ARG 111 Ca 0.31 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.76 2dm0 n ARG 111 Cb 0.28 -0.87 -0.05 0.00 -1.05 0.00 0.00 32.46 30.76 2dm0 n ARG 111 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2dm0 s TYR 112 N -2.00 3.85 -1.18 2.89 1.51 -1.24 -5.00 117.35 116.18 2dm0 s TYR 112 Ca 0.00 -2.78 -0.23 0.00 -1.01 0.00 0.00 57.07 53.05 2dm0 s TYR 112 Cb 0.00 -3.41 -0.09 0.00 -0.11 0.00 0.00 41.96 38.35 2dm0 s TYR 112 CO 0.00 -0.83 1.94 -1.25 -1.11 0.00 0.00 175.55 174.30 2dm0 s PRO 113 N -0.90 2.49 -0.55 -1.71 0.04 -1.26 -2.62 135.00 130.50 2dm0 s PRO 113 Ca 0.25 -1.15 -0.37 0.00 0.04 0.00 0.00 61.00 59.78 2dm0 s PRO 113 Cb -0.11 -5.24 -0.16 0.00 0.04 0.00 0.00 34.50 29.04 2dm0 s PRO 113 CO -0.09 -3.97 2.30 0.28 0.04 0.00 0.00 177.00 175.55 2dm0 n VAL 114 N 7.81 0.06 -2.71 -0.36 0.31 -1.12 -4.67 118.33 117.65 2dm0 n VAL 114 Ca 0.45 -0.16 -0.21 0.00 -0.01 0.00 0.00 64.34 64.41 2dm0 n VAL 114 Cb 0.47 -1.12 0.04 0.00 -0.91 0.00 0.00 33.84 32.32 2dm0 n VAL 114 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2dm0 s GLY 115 N 7.64 1.83 0.06 2.92 0.00 -1.26 -4.29 107.32 114.22 2dm0 s GLY 115 Ca 1.18 -1.49 -0.27 0.00 0.00 0.00 0.00 44.72 44.14 2dm0 s GLY 115 CO 0.53 -1.17 1.42 1.41 0.00 0.00 0.00 173.10 175.29 2dm0 h LEU 116 N 0.08 -1.07 -0.31 0.66 4.07 -1.91 -2.95 115.31 113.88 2dm0 h LEU 116 Ca -0.40 0.09 0.07 0.00 0.08 0.00 0.00 57.88 57.72 2dm0 h LEU 116 Cb 1.29 0.36 -0.08 0.00 1.08 0.00 0.00 40.66 43.31 2dm0 h LEU 116 CO 0.49 -0.49 -0.23 0.24 -1.08 0.00 0.00 178.44 177.37 2dm0 h MET 117 N -0.74 -0.19 0.00 1.13 2.86 -1.96 -3.44 114.93 112.59 2dm0 h MET 117 Ca -0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2dm0 h MET 117 Cb 0.65 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2dm0 h MET 117 CO -0.07 -0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.19 2dm0 n GLY 118 N -1.38 0.98 3.30 8.32 0.00 -1.12 -4.30 105.19 110.99 2dm0 n GLY 118 Ca 0.00 0.48 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 2dm0 n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm0 s SER 119 N -4.00 5.12 -0.23 1.61 0.01 -1.26 -4.95 113.70 109.99 2dm0 s SER 119 Ca 0.00 -0.92 -0.10 0.00 1.31 0.00 0.00 55.95 56.24 2dm0 s SER 119 Cb 0.00 -1.85 -0.17 0.00 0.21 0.00 0.00 66.02 64.21 2dm0 s SER 119 CO 0.00 -0.24 -0.09 -0.24 0.41 0.00 0.00 173.24 173.08 2dm0 n SER 120 N 4.82 1.97 0.00 2.44 2.88 -1.26 -5.12 113.62 119.34 2dm0 n SER 120 Ca -0.14 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2dm0 n SER 120 Cb 0.46 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2dm0 n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm0 n GLY 121 N 1.67 0.59 3.63 0.46 0.00 -1.26 -5.01 105.19 105.27 2dm0 n GLY 121 Ca -0.44 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 42.85 2dm0 n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm0 s PRO 122 N -0.58 3.83 0.58 1.61 0.04 -1.26 -5.01 135.00 134.21 2dm0 s PRO 122 Ca 0.00 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.78 2dm0 s PRO 122 Cb 0.00 -4.02 0.08 0.00 0.04 0.00 0.00 34.50 30.59 2dm0 s PRO 122 CO 0.00 -1.25 0.81 -1.12 0.04 0.00 0.00 177.00 175.47 2dm0 s SER 123 N 4.11 5.01 -0.24 6.66 0.01 -1.26 -5.13 113.70 122.86 2dm0 s SER 123 Ca 0.71 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 57.18 2dm0 s SER 123 Cb -0.25 -0.13 0.15 0.00 0.21 0.00 0.00 66.02 65.99 2dm0 s SER 123 CO 0.29 -1.36 1.14 -0.55 0.41 0.00 0.00 173.24 173.17 2dm0 s SER 124 N -4.59 -0.29 0.00 2.44 0.15 -1.26 -5.31 113.70 104.84 2dm0 s SER 124 Ca 0.61 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.70 2dm0 s SER 124 Cb -0.07 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2dm0 s SER 124 CO 0.39 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.26