#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 -2.86 -0.11 1.61 2.88 -1.26 -4.86 113.62 109.01 2dm0 n SER 2 Ca 0.00 -0.99 -0.22 0.00 -1.33 0.00 0.00 58.87 56.33 2dm0 n SER 2 Cb 0.00 -2.90 -0.09 0.00 -0.75 0.00 0.00 64.21 60.47 2dm0 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dm0 n SER 3 N -2.73 1.91 0.00 -3.46 7.64 -1.26 -5.09 113.62 110.63 2dm0 n SER 3 Ca -0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2dm0 n SER 3 Cb 0.53 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2dm0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm0 n GLY 4 N 1.38 1.69 3.43 0.23 0.00 -1.26 -5.08 105.19 105.58 2dm0 n GLY 4 Ca -0.37 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 2dm0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm0 s SER 5 N 0.00 6.80 0.13 1.61 0.15 -1.26 -4.86 113.70 116.28 2dm0 s SER 5 Ca 0.00 -2.46 -0.18 0.00 0.70 0.00 0.00 55.95 54.00 2dm0 s SER 5 Cb 0.00 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2dm0 s SER 5 CO 0.00 -0.88 1.78 0.28 1.20 0.00 0.00 173.24 175.63 2dm0 h SER 6 N 8.13 0.34 0.00 5.45 0.02 -1.99 -3.43 113.55 122.08 2dm0 h SER 6 Ca 0.20 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2dm0 h SER 6 Cb 0.98 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2dm0 h SER 6 CO 1.10 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 177.66 2dm0 n GLY 7 N -1.14 0.06 3.54 -3.77 0.00 -1.26 -5.10 105.19 97.52 2dm0 n GLY 7 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2dm0 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dm0 s ASN 8 N -0.78 4.10 0.75 1.61 3.04 -1.26 -5.10 114.94 117.30 2dm0 s ASN 8 Ca 0.00 -0.64 -0.17 0.00 0.04 0.00 0.00 52.86 52.09 2dm0 s ASN 8 Cb 0.00 -0.63 -0.10 0.00 -1.54 0.00 0.00 41.25 38.98 2dm0 s ASN 8 CO 0.00 0.10 -0.06 0.29 -3.04 0.00 0.00 177.10 174.39 2dm0 n LYS 9 N 0.05 0.08 -1.62 0.43 5.02 -1.26 -4.77 118.16 116.09 2dm0 n LYS 9 Ca -0.11 0.05 -0.47 0.00 -2.02 0.00 0.00 58.31 55.76 2dm0 n LYS 9 Cb 0.56 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 2dm0 n LYS 9 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2dm0 n ILE 10 N -2.22 1.00 -3.97 -0.18 2.08 -1.26 -4.96 119.36 109.86 2dm0 n ILE 10 Ca 0.06 -0.25 -0.33 0.00 0.56 0.00 0.00 62.75 62.79 2dm0 n ILE 10 Cb 0.51 -1.10 -0.14 0.00 -0.75 0.00 0.00 39.64 38.15 2dm0 n ILE 10 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2dm0 s THR 11 N -0.21 2.54 -0.48 1.39 2.01 -1.26 -5.07 115.64 114.55 2dm0 s THR 11 Ca 0.70 -2.06 -0.23 0.00 0.31 0.00 0.00 61.69 60.41 2dm0 s THR 11 Cb -0.76 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.05 2dm0 s THR 11 CO 0.52 -0.46 0.84 0.54 -0.69 0.00 0.00 174.62 175.37 2dm0 s ASN 12 N 1.16 6.39 -0.12 3.53 4.22 -1.26 -4.84 114.94 124.03 2dm0 s ASN 12 Ca 0.05 -0.20 0.07 0.00 -2.14 0.00 0.00 52.86 50.64 2dm0 s ASN 12 Cb -0.20 -2.40 -0.12 0.00 1.28 0.00 0.00 41.25 39.80 2dm0 s ASN 12 CO -0.06 -1.03 -0.01 0.18 -2.04 0.00 0.00 177.10 174.14 2dm0 n LEU 13 N 6.97 0.89 -0.32 3.54 4.77 -1.26 -4.58 117.00 127.01 2dm0 n LEU 13 Ca 0.02 -0.02 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 2dm0 n LEU 13 Cb 0.48 0.04 0.37 0.00 -2.33 0.00 0.00 43.42 41.99 2dm0 n LEU 13 CO 0.61 0.41 1.00 1.05 -1.33 0.00 0.00 177.39 179.13 2dm0 h GLU 14 N 0.00 0.21 -1.45 3.23 4.11 -1.88 0.35 114.58 119.15 2dm0 h GLU 14 Ca -0.30 -0.01 0.48 0.00 0.07 0.00 0.00 59.36 59.59 2dm0 h GLU 14 Cb 1.62 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.70 2dm0 h GLU 14 CO -0.00 0.14 0.96 -0.84 0.07 0.00 0.00 179.01 179.34 2dm0 h ILE 15 N 0.22 0.05 -3.86 -1.06 3.07 -1.96 -3.39 117.51 110.58 2dm0 h ILE 15 Ca 0.64 -0.01 -0.44 0.00 1.55 0.00 0.00 64.86 66.60 2dm0 h ILE 15 Cb 1.39 0.02 0.18 0.00 -0.27 0.00 0.00 36.82 38.14 2dm0 h ILE 15 CO -0.67 0.01 0.39 -0.31 -1.05 0.00 0.00 178.15 176.52 2dm0 s TYR 16 N -5.21 1.21 -0.07 0.16 2.02 0.12 -5.03 117.35 110.55 2dm0 s TYR 16 Ca -0.07 0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.94 2dm0 s TYR 16 Cb 0.30 -4.14 -0.07 0.00 -0.40 0.00 0.00 41.96 37.65 2dm0 s TYR 16 CO 0.84 -2.96 0.00 -0.85 -1.57 0.00 0.00 175.55 171.00 2dm0 n GLU 17 N -3.98 2.36 0.00 -0.62 0.28 -1.26 -4.52 120.64 112.90 2dm0 n GLU 17 Ca 0.16 0.01 0.09 0.00 -0.16 0.00 0.00 57.16 57.26 2dm0 n GLU 17 Cb 0.59 -1.16 0.53 0.00 1.43 0.00 0.00 31.44 32.83 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 -2.35 0.00 -3.52 -1.84 4.27 -1.26 -3.19 117.44 109.56 2dm0 n TRP 18 Ca -0.11 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.09 2dm0 n TRP 18 Cb 0.69 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.60 2dm0 n TRP 18 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2dm0 s TYR 19 N -2.00 3.84 -0.96 -2.67 5.04 -1.26 -0.45 117.35 118.90 2dm0 s TYR 19 Ca 0.27 -2.66 -0.22 0.00 -2.44 0.00 0.00 57.07 52.01 2dm0 s TYR 19 Cb 0.12 -3.49 0.07 0.00 0.35 0.00 0.00 41.96 39.01 2dm0 s TYR 19 CO 0.21 -0.86 1.33 -1.01 -1.34 0.00 0.00 175.55 173.88 2dm0 s HIS 20 N -0.73 2.66 -0.16 4.97 3.76 -0.40 -4.78 115.29 120.62 2dm0 s HIS 20 Ca 0.24 -0.89 -0.23 0.00 -0.15 0.00 0.00 55.06 54.03 2dm0 s HIS 20 Cb -0.11 -4.57 -0.24 0.00 1.11 0.00 0.00 32.58 28.77 2dm0 s HIS 20 CO -0.09 -1.83 0.51 0.07 -0.85 0.00 0.00 174.74 172.55 2dm0 h ARG 21 N 9.57 0.07 -3.17 1.40 0.11 -1.95 -3.33 114.38 117.08 2dm0 h ARG 21 Ca 0.12 -0.12 -0.54 0.00 0.10 0.00 0.00 59.98 59.55 2dm0 h ARG 21 Cb 1.02 0.04 0.02 0.00 1.11 0.00 0.00 29.97 32.17 2dm0 h ARG 21 CO 1.33 1.06 3.29 -1.71 0.10 0.00 0.00 179.97 184.03 2dm0 n ASN 22 N -4.36 7.14 -3.46 0.08 5.15 -1.26 -4.58 115.26 113.97 2dm0 n ASN 22 Ca -0.22 -2.46 -0.14 0.00 -0.60 0.00 0.00 54.58 51.15 2dm0 n ASN 22 Cb 0.67 -1.36 -0.05 0.00 -0.53 0.00 0.00 39.78 38.51 2dm0 n ASN 22 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2dm0 s ILE 23 N 2.66 0.00 0.18 -1.44 -4.36 -1.26 -5.14 121.20 111.83 2dm0 s ILE 23 Ca 0.57 -1.63 0.05 0.00 -0.26 0.00 0.00 60.65 59.37 2dm0 s ILE 23 Cb 0.15 -2.55 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 2dm0 s ILE 23 CO -0.05 0.00 -0.08 0.28 0.24 0.00 0.00 174.94 175.33 2dm0 s THR 24 N -3.33 1.20 0.23 8.37 -1.32 -1.26 -4.88 115.64 114.65 2dm0 s THR 24 Ca 0.31 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.72 2dm0 s THR 24 Cb 0.00 -2.01 0.33 0.00 -1.51 0.00 0.00 72.50 69.32 2dm0 s THR 24 CO 0.18 -0.61 1.20 -1.14 -2.21 0.00 0.00 174.62 172.04 2dm0 n ARG 25 N -0.28 -0.06 0.47 7.08 0.63 -1.26 -0.01 116.66 123.23 2dm0 n ARG 25 Ca -0.09 1.15 -0.19 0.00 -0.92 0.00 0.00 57.85 57.81 2dm0 n ARG 25 Cb 0.61 -1.81 -0.09 0.00 0.45 0.00 0.00 32.46 31.62 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 2dm0 h ASN 26 N 0.00 -1.09 -0.93 6.15 -1.24 -2.00 -2.88 115.58 113.59 2dm0 h ASN 26 Ca 0.45 0.04 0.16 0.00 0.71 0.00 0.00 56.30 57.66 2dm0 h ASN 26 Cb 0.89 0.29 -0.16 0.00 0.73 0.00 0.00 38.32 40.07 2dm0 h ASN 26 CO -0.73 -0.75 -0.33 1.56 -1.29 0.00 0.00 177.43 175.90 2dm0 h GLN 27 N -1.22 -0.02 -0.17 6.67 1.08 -0.82 0.29 115.11 120.92 2dm0 h GLN 27 Ca -0.12 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.11 2dm0 h GLN 27 Cb 0.95 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.33 2dm0 h GLN 27 CO 0.18 -0.01 -0.36 0.00 -0.95 0.00 0.00 178.83 177.69 2dm0 h ALA 28 N 1.54 -0.68 0.42 3.87 0.00 -1.24 0.45 119.26 123.62 2dm0 h ALA 28 Ca 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2dm0 h ALA 28 Cb 0.63 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2dm0 h ALA 28 CO -0.95 -0.83 -0.33 0.93 0.00 0.00 0.00 179.25 178.07 2dm0 h GLU 29 N -0.32 -0.72 -0.07 0.00 5.08 -0.97 -2.93 114.58 114.65 2dm0 h GLU 29 Ca 0.03 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2dm0 h GLU 29 Cb 0.42 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2dm0 h GLU 29 CO -0.33 -0.48 -0.14 1.25 -1.00 0.00 0.00 179.01 178.30 2dm0 h HIS 30 N -0.75 -0.44 -0.73 4.33 2.76 -0.20 -0.39 115.15 119.73 2dm0 h HIS 30 Ca -0.04 0.02 0.25 0.00 -2.20 0.00 0.00 60.37 58.40 2dm0 h HIS 30 Cb 0.65 0.20 -0.13 0.00 1.55 0.00 0.00 27.41 29.67 2dm0 h HIS 30 CO -0.15 -0.14 0.19 1.28 -1.30 0.00 0.00 177.93 177.82 2dm0 n LEU 31 N -3.36 0.08 -0.01 0.26 4.77 0.15 0.17 117.00 119.06 2dm0 n LEU 31 Ca -0.01 1.23 -0.13 0.00 -0.03 0.00 0.00 56.01 57.07 2dm0 n LEU 31 Cb 0.09 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2dm0 n LEU 31 CO 0.01 -1.31 0.71 -0.07 -1.33 0.00 0.00 177.39 175.40 2dm0 h LEU 32 N 0.00 0.07 -0.85 2.23 3.38 -0.93 -3.22 115.31 115.98 2dm0 h LEU 32 Ca 0.53 -0.35 0.13 0.00 0.09 0.00 0.00 57.88 58.28 2dm0 h LEU 32 Cb 1.26 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2dm0 h LEU 32 CO -0.63 0.40 -0.38 0.03 0.09 0.00 0.00 178.44 177.95 2dm0 h ARG 33 N -0.26 -0.06 -0.88 1.13 2.47 0.31 0.54 114.38 117.63 2dm0 h ARG 33 Ca 0.01 0.00 0.21 0.00 -1.26 0.00 0.00 59.98 58.95 2dm0 h ARG 33 Cb 0.37 0.01 -0.12 0.00 -1.65 0.00 0.00 29.97 28.58 2dm0 h ARG 33 CO 0.00 -0.04 0.38 1.96 0.56 0.00 0.00 179.97 182.83 2dm0 h GLN 34 N -0.06 0.39 -0.05 0.04 4.20 -1.48 -0.70 115.11 117.44 2dm0 h GLN 34 Ca 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 2dm0 h GLN 34 Cb 0.58 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2dm0 h GLN 34 CO -0.88 0.26 0.00 0.93 -0.67 0.00 0.00 178.83 178.47 2dm0 h GLU 35 N 0.40 0.09 -6.64 1.46 4.39 -0.02 -3.47 114.58 110.79 2dm0 h GLU 35 Ca 0.55 -0.03 -0.53 0.00 0.34 0.00 0.00 59.36 59.69 2dm0 h GLU 35 Cb 1.02 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 2dm0 h GLU 35 CO -0.52 0.36 -0.94 -1.13 -1.16 0.00 0.00 179.01 175.61 2dm0 n SER 36 N -4.89 -2.05 -3.21 1.42 3.41 -0.27 -4.95 113.62 103.08 2dm0 n SER 36 Ca -0.07 -1.12 -0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2dm0 n SER 36 Cb 0.18 -2.56 -0.03 0.00 -0.26 0.00 0.00 64.21 61.54 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 -6.77 0.50 -0.36 4.33 -2.85 -1.26 -5.10 119.74 108.23 2dm0 s LYS 37 Ca 0.22 0.80 -0.33 0.00 -1.00 0.00 0.00 55.97 55.65 2dm0 s LYS 37 Cb -0.10 0.20 -0.14 0.00 -2.06 0.00 0.00 37.83 35.73 2dm0 s LYS 37 CO 0.92 -0.68 1.26 -1.91 0.10 0.00 0.00 175.35 175.04 2dm0 n GLU 38 N 5.41 0.00 0.00 1.78 2.13 -1.26 -2.69 120.64 126.01 2dm0 n GLU 38 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2dm0 n GLU 38 Cb 0.51 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 31.14 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 3.56 3.99 3.63 8.31 0.00 -1.21 -4.83 105.19 118.63 2dm0 n GLY 39 Ca 0.27 -0.64 -0.51 0.00 0.00 0.00 0.00 46.02 45.14 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 0.68 -2.19 4.61 0.00 -1.09 -3.21 120.51 119.31 2dm0 n ALA 40 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 2dm0 n ALA 40 Cb 0.00 -2.46 -0.10 0.00 0.00 0.00 0.00 19.45 16.89 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 4.91 0.98 -0.00 0.00 -0.71 -1.06 -0.48 117.98 121.62 2dm0 s PHE 41 Ca 0.99 -0.92 -0.28 0.00 -1.04 0.00 0.00 56.93 55.67 2dm0 s PHE 41 Cb -0.82 -0.56 0.08 0.00 -1.21 0.00 0.00 43.02 40.52 2dm0 s PHE 41 CO 0.54 -0.15 0.73 0.96 -1.34 0.00 0.00 175.22 175.96 2dm0 s ILE 42 N -3.61 0.00 -0.33 -4.49 -4.36 -1.03 -3.15 121.20 104.23 2dm0 s ILE 42 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.54 2dm0 s ILE 42 Cb 0.05 -1.00 0.08 0.00 1.25 0.00 0.00 42.46 42.84 2dm0 s ILE 42 CO -0.03 0.00 0.04 -0.69 0.24 0.00 0.00 174.94 174.50 2dm0 s VAL 43 N -2.10 2.73 0.33 8.37 1.01 0.40 -0.72 120.40 130.43 2dm0 s VAL 43 Ca -0.05 -1.83 0.08 0.00 0.00 0.00 0.00 61.98 60.18 2dm0 s VAL 43 Cb -0.00 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2dm0 s VAL 43 CO 0.00 -0.35 0.23 0.00 0.00 0.00 0.00 175.10 174.98 2dm0 s ARG 44 N 1.11 2.59 -0.10 2.72 1.70 -0.97 -1.27 118.95 124.73 2dm0 s ARG 44 Ca 0.01 -1.38 -0.13 0.00 -0.47 0.00 0.00 55.73 53.76 2dm0 s ARG 44 Cb -0.20 -2.36 -0.05 0.00 -0.57 0.00 0.00 34.95 31.77 2dm0 s ARG 44 CO -0.04 0.12 0.30 -0.51 -1.08 0.00 0.00 175.30 174.09 2dm0 s ASP 45 N -3.93 6.54 -0.69 -2.89 1.11 -1.26 -2.12 116.67 113.43 2dm0 s ASP 45 Ca 0.39 0.64 -0.26 0.00 0.18 0.00 0.00 52.55 53.51 2dm0 s ASP 45 Cb -0.05 -2.19 -0.05 0.00 1.07 0.00 0.00 42.92 41.70 2dm0 s ASP 45 CO 0.25 0.22 2.07 -0.55 1.18 0.00 0.00 175.17 178.34 2dm0 s SER 46 N -0.25 4.86 0.53 0.27 0.15 -0.97 -4.78 113.70 113.52 2dm0 s SER 46 Ca 0.19 0.16 0.30 0.00 0.70 0.00 0.00 55.95 57.30 2dm0 s SER 46 Cb -0.14 -2.53 1.03 0.00 -1.71 0.00 0.00 66.02 62.66 2dm0 s SER 46 CO 0.07 -2.80 1.23 -1.14 1.20 0.00 0.00 173.24 171.80 2dm0 n ARG 47 N 9.01 0.01 0.14 5.44 0.63 -1.26 0.13 116.66 130.76 2dm0 n ARG 47 Ca 0.33 0.93 -0.06 0.00 -0.92 0.00 0.00 57.85 58.13 2dm0 n ARG 47 Cb 0.50 -2.27 -0.03 0.00 0.45 0.00 0.00 32.46 31.11 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2dm0 h HIS 48 N 0.00 -0.38 -2.31 -0.14 2.76 -1.99 -3.48 115.15 109.61 2dm0 h HIS 48 Ca 0.56 -0.01 -0.55 0.00 -2.20 0.00 0.00 60.37 58.17 2dm0 h HIS 48 Cb 2.85 0.13 -0.14 0.00 1.55 0.00 0.00 27.41 31.81 2dm0 h HIS 48 CO 0.00 -0.24 -0.65 -1.17 -1.30 0.00 0.00 177.93 174.57 2dm0 s LEU 49 N -8.14 2.57 0.00 0.26 2.96 0.12 -5.01 118.68 111.44 2dm0 s LEU 49 Ca -0.06 -1.27 -0.02 0.00 -0.22 0.00 0.00 54.13 52.57 2dm0 s LEU 49 Cb 0.01 -0.73 -0.07 0.00 0.50 0.00 0.00 46.19 45.90 2dm0 s LEU 49 CO 0.18 -0.38 1.91 0.61 -1.32 0.00 0.00 176.35 177.34 2dm0 n GLY 50 N -0.73 2.10 2.89 7.98 0.00 -1.26 -3.63 105.19 112.54 2dm0 n GLY 50 Ca -0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 2.02 1.68 -4.24 1.61 2.88 -1.26 -4.95 113.62 111.35 2dm0 n SER 51 Ca 0.11 -2.18 -0.19 0.00 -1.33 0.00 0.00 58.87 55.28 2dm0 n SER 51 Cb 0.47 -0.27 -0.11 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.73 1.44 -0.16 0.66 2.02 -1.26 -2.30 117.35 116.02 2dm0 s TYR 52 Ca 0.42 -0.51 -0.09 0.00 -0.37 0.00 0.00 57.07 56.52 2dm0 s TYR 52 Cb -0.03 -0.76 0.06 0.00 -0.40 0.00 0.00 41.96 40.82 2dm0 s TYR 52 CO 0.27 0.15 0.39 0.99 -1.57 0.00 0.00 175.55 175.77 2dm0 s THR 53 N -1.85 -0.03 -0.24 -0.71 2.01 -0.90 -0.05 115.64 113.88 2dm0 s THR 53 Ca 0.07 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.99 2dm0 s THR 53 Cb -0.07 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2dm0 s THR 53 CO 0.03 0.04 0.48 -0.63 -0.69 0.00 0.00 174.62 173.86 2dm0 s ILE 54 N 1.37 5.11 -0.45 1.82 1.01 0.14 -2.29 121.20 127.90 2dm0 s ILE 54 Ca -0.09 0.84 -0.10 0.00 0.00 0.00 0.00 60.65 61.30 2dm0 s ILE 54 Cb -0.09 -3.80 0.10 0.00 0.01 0.00 0.00 42.46 38.68 2dm0 s ILE 54 CO -0.12 0.14 0.32 -0.44 0.00 0.00 0.00 174.94 174.85 2dm0 s SER 55 N 1.37 5.75 0.11 3.58 0.01 0.10 -1.21 113.70 123.41 2dm0 s SER 55 Ca 0.21 -1.68 0.03 0.00 1.31 0.00 0.00 55.95 55.81 2dm0 s SER 55 Cb -0.15 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2dm0 s SER 55 CO 0.09 -0.64 0.17 -0.69 0.41 0.00 0.00 173.24 172.58 2dm0 s VAL 56 N 1.43 4.88 -0.41 3.43 1.01 -1.15 -2.47 120.40 127.12 2dm0 s VAL 56 Ca 0.04 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 2dm0 s VAL 56 Cb -0.25 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2dm0 s VAL 56 CO 0.01 0.02 0.39 0.12 0.00 0.00 0.00 175.10 175.64 2dm0 s PHE 57 N -1.59 3.19 -0.08 5.22 2.19 0.37 -1.40 117.98 125.89 2dm0 s PHE 57 Ca 0.32 -0.43 -0.13 0.00 0.33 0.00 0.00 56.93 57.02 2dm0 s PHE 57 Cb -0.12 -2.79 -0.10 0.00 -1.31 0.00 0.00 43.02 38.70 2dm0 s PHE 57 CO 0.25 -0.66 0.48 0.52 1.83 0.00 0.00 175.22 177.64 2dm0 h MET 58 N 8.69 -0.16 0.00 10.12 2.86 -1.01 -3.21 114.93 132.22 2dm0 h MET 58 Ca -0.27 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2dm0 h MET 58 Cb 1.11 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2dm0 h MET 58 CO 0.77 0.14 0.00 0.41 1.06 0.00 0.00 176.91 179.29 2dm0 n GLY 59 N 1.16 1.04 3.53 8.32 0.00 -0.96 -4.42 105.19 113.86 2dm0 n GLY 59 Ca -0.05 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -0.20 0.13 4.61 0.00 -1.25 -4.73 121.76 120.32 2dm0 s ALA 60 Ca 0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.51 2dm0 s ALA 60 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 2dm0 s ALA 60 CO 0.00 -3.66 1.76 0.00 0.00 0.00 0.00 175.76 173.85 2dm0 h ARG 61 N -2.50 0.22 -5.96 0.00 2.47 -1.94 -3.42 114.38 103.25 2dm0 h ARG 61 Ca -0.60 -0.01 -0.67 0.00 -1.26 0.00 0.00 59.98 57.44 2dm0 h ARG 61 Cb 1.34 -0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 29.49 2dm0 h ARG 61 CO 0.52 0.15 -0.59 1.03 0.56 0.00 0.00 179.97 181.64 2dm0 s ARG 62 N -6.17 3.04 0.27 0.04 1.81 -1.26 -5.01 118.95 111.67 2dm0 s ARG 62 Ca -0.13 -0.42 -0.00 0.00 -1.72 0.00 0.00 55.73 53.46 2dm0 s ARG 62 Cb 0.10 -2.85 0.55 0.00 -0.45 0.00 0.00 34.95 32.30 2dm0 s ARG 62 CO 0.70 0.69 1.78 1.03 -0.68 0.00 0.00 175.30 178.81 2dm0 h SER 63 N 4.72 0.62 0.00 0.23 0.87 -2.00 0.16 113.55 118.14 2dm0 h SER 63 Ca -0.51 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2dm0 h SER 63 Cb 1.19 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2dm0 h SER 63 CO 0.57 0.27 0.56 0.00 -0.53 0.00 0.00 176.83 177.70 2dm0 h THR 64 N 0.69 0.00 -2.71 2.23 1.03 -1.96 -3.39 112.91 108.81 2dm0 h THR 64 Ca 0.48 0.00 -0.60 0.00 -0.01 0.00 0.00 66.41 66.28 2dm0 h THR 64 Cb 0.65 0.39 -0.16 0.00 -1.07 0.00 0.00 68.15 67.96 2dm0 h THR 64 CO -0.35 0.00 -0.78 -1.61 -0.01 0.00 0.00 175.52 172.78 2dm0 s GLU 65 N -3.94 1.55 0.38 0.00 2.02 0.56 -5.16 118.70 114.11 2dm0 s GLU 65 Ca -0.02 -1.63 0.05 0.00 0.02 0.00 0.00 54.97 53.39 2dm0 s GLU 65 Cb 0.05 -1.67 -0.07 0.00 0.10 0.00 0.00 34.13 32.54 2dm0 s GLU 65 CO 0.16 0.33 0.03 0.00 0.02 0.00 0.00 175.26 175.80 2dm0 s ALA 66 N -2.25 2.91 -0.17 5.21 0.00 -1.26 -3.97 121.76 122.22 2dm0 s ALA 66 Ca 0.25 -2.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.12 2dm0 s ALA 66 Cb -0.06 0.38 0.07 0.00 0.00 0.00 0.00 23.12 23.52 2dm0 s ALA 66 CO 0.12 -0.20 0.40 0.00 0.00 0.00 0.00 175.76 176.08 2dm0 s ALA 67 N -2.98 -1.05 -0.03 0.00 0.00 -1.26 -4.15 121.76 112.30 2dm0 s ALA 67 Ca 0.33 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.78 2dm0 s ALA 67 Cb 0.08 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.19 2dm0 s ALA 67 CO 0.16 -0.41 -0.02 0.42 0.00 0.00 0.00 175.76 175.91 2dm0 s ILE 68 N 1.77 0.26 0.22 0.00 1.01 -1.26 -0.31 121.20 122.88 2dm0 s ILE 68 Ca -0.07 -0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.63 2dm0 s ILE 68 Cb -0.10 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 2dm0 s ILE 68 CO -0.13 0.14 0.22 -0.54 0.00 0.00 0.00 174.94 174.64 2dm0 s LYS 69 N 0.74 3.07 -0.26 2.79 3.01 -0.49 -4.93 119.74 123.67 2dm0 s LYS 69 Ca -0.08 -0.91 0.01 0.00 -1.01 0.00 0.00 55.97 53.98 2dm0 s LYS 69 Cb -0.11 -2.69 0.07 0.00 -1.01 0.00 0.00 37.83 34.10 2dm0 s LYS 69 CO -0.01 0.44 -0.00 -1.01 0.51 0.00 0.00 175.35 175.28 2dm0 s HIS 70 N -1.97 2.35 -0.41 3.18 3.76 -1.26 -2.94 115.29 118.00 2dm0 s HIS 70 Ca 0.33 -1.85 -0.12 0.00 -0.15 0.00 0.00 55.06 53.26 2dm0 s HIS 70 Cb -0.09 -1.75 0.05 0.00 1.11 0.00 0.00 32.58 31.90 2dm0 s HIS 70 CO 0.26 -0.80 0.27 0.71 -0.85 0.00 0.00 174.74 174.32 2dm0 s TYR 71 N 1.41 3.26 -0.16 1.40 2.02 -0.35 -4.95 117.35 119.98 2dm0 s TYR 71 Ca -0.00 -1.03 -0.28 0.00 -0.37 0.00 0.00 57.07 55.39 2dm0 s TYR 71 Cb -0.18 -2.71 -0.01 0.00 -0.40 0.00 0.00 41.96 38.66 2dm0 s TYR 71 CO -0.10 -0.71 0.97 -0.65 -1.57 0.00 0.00 175.55 173.49 2dm0 s GLN 72 N 1.56 4.34 -0.56 -0.62 -0.21 -1.26 0.24 119.66 123.14 2dm0 s GLN 72 Ca 0.03 1.28 -0.28 0.00 0.02 0.00 0.00 55.36 56.41 2dm0 s GLN 72 Cb -0.21 -3.58 0.02 0.00 1.00 0.00 0.00 33.01 30.24 2dm0 s GLN 72 CO 0.06 -0.42 1.31 0.42 -2.12 0.00 0.00 175.29 174.54 2dm0 s ILE 73 N 2.43 3.91 0.51 1.08 1.01 0.93 -4.85 121.20 126.22 2dm0 s ILE 73 Ca 0.44 0.80 0.09 0.00 0.00 0.00 0.00 60.65 61.98 2dm0 s ILE 73 Cb -0.17 -4.57 0.06 0.00 0.01 0.00 0.00 42.46 37.79 2dm0 s ILE 73 CO 0.13 -1.23 0.70 -0.54 0.00 0.00 0.00 174.94 174.00 2dm0 s LYS 74 N 5.20 2.51 -0.02 2.79 1.02 -1.16 -4.36 119.74 125.72 2dm0 s LYS 74 Ca 0.48 -1.49 0.06 0.00 0.02 0.00 0.00 55.97 55.04 2dm0 s LYS 74 Cb -0.09 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 2dm0 s LYS 74 CO 0.26 -0.63 -0.20 0.21 -0.92 0.00 0.00 175.35 174.07 2dm0 s LYS 75 N -4.54 1.70 0.56 1.68 2.20 -1.26 -2.29 119.74 117.78 2dm0 s LYS 75 Ca 0.59 -0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 55.48 2dm0 s LYS 75 Cb -0.07 -1.61 0.11 0.00 -1.51 0.00 0.00 37.83 34.75 2dm0 s LYS 75 CO 0.36 0.41 0.77 0.27 -0.36 0.00 0.00 175.35 176.80 2dm0 n ASN 76 N 2.66 1.04 -0.04 1.43 0.23 -1.00 -4.89 115.26 114.69 2dm0 n ASN 76 Ca -0.16 -1.88 0.15 0.00 -0.53 0.00 0.00 54.58 52.17 2dm0 n ASN 76 Cb 0.53 -0.50 0.58 0.00 -2.08 0.00 0.00 39.78 38.32 2dm0 n ASN 76 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2dm0 h ASP 77 N -0.45 0.21 -0.03 0.53 1.82 -2.01 0.26 116.42 116.74 2dm0 h ASP 77 Ca -0.25 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 2dm0 h ASP 77 Cb 0.94 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.91 2dm0 h ASP 77 CO 0.27 0.12 0.00 -1.20 -1.61 0.00 0.00 179.24 176.82 2dm0 n SER 78 N -4.44 0.94 -4.02 2.28 7.64 -1.26 -4.85 113.62 109.91 2dm0 n SER 78 Ca 0.10 -2.04 -0.33 0.00 1.01 0.00 0.00 58.87 57.61 2dm0 n SER 78 Cb 0.47 -0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.20 -0.47 3.57 0.23 0.00 0.91 -4.94 105.19 104.69 2dm0 n GLY 79 Ca 0.01 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.72 2.43 0.01 1.61 -0.21 -1.26 -4.88 119.66 110.65 2dm0 s GLN 80 Ca 0.68 -0.80 -0.27 0.00 0.02 0.00 0.00 55.36 54.98 2dm0 s GLN 80 Cb -0.36 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 2dm0 s GLN 80 CO 0.83 0.58 0.87 -1.58 -2.12 0.00 0.00 175.29 173.87 2dm0 s TRP 81 N -1.01 3.67 0.08 0.91 0.52 -1.04 -2.38 118.94 119.69 2dm0 s TRP 81 Ca 0.17 1.56 -0.07 0.00 0.02 0.00 0.00 56.10 57.78 2dm0 s TRP 81 Cb -0.11 -2.97 -0.01 0.00 -1.15 0.00 0.00 33.47 29.23 2dm0 s TRP 81 CO 0.08 0.10 0.15 1.52 0.02 0.00 0.00 176.95 178.81 2dm0 s TYR 82 N 0.63 0.22 0.02 -1.98 -0.85 -0.97 -1.03 117.35 113.38 2dm0 s TYR 82 Ca 0.45 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 56.34 2dm0 s TYR 82 Cb -0.20 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.01 2dm0 s TYR 82 CO 0.25 -0.50 0.00 0.28 -1.52 0.00 0.00 175.55 174.05 2dm0 n VAL 83 N 0.02 0.08 1.78 -3.49 0.31 -1.26 -2.99 118.33 112.78 2dm0 n VAL 83 Ca -0.15 0.03 0.07 0.00 -0.01 0.00 0.00 64.34 64.27 2dm0 n VAL 83 Cb 0.62 -1.11 0.41 0.00 -0.91 0.00 0.00 33.84 32.85 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 -2.87 2.47 -1.96 3.52 0.00 -1.26 -4.84 120.51 115.57 2dm0 n ALA 84 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 2dm0 n ALA 84 Cb 0.27 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.74 -1.64 0.00 0.00 1.02 -1.26 -4.69 120.64 113.33 2dm0 n GLU 85 Ca 0.10 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 2dm0 n GLU 85 Cb 0.05 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.05 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 -2.54 0.83 -4.44 3.49 5.12 -1.26 -5.05 116.66 112.81 2dm0 n ARG 86 Ca -0.19 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.40 2dm0 n ARG 86 Cb 0.61 -0.65 -0.16 0.00 -1.16 0.00 0.00 32.46 31.11 2dm0 n ARG 86 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2dm0 s HIS 87 N -1.30 2.76 -0.00 -1.55 3.76 -1.26 -5.12 115.29 112.58 2dm0 s HIS 87 Ca 0.00 -1.26 0.07 0.00 -0.15 0.00 0.00 55.06 53.72 2dm0 s HIS 87 Cb 0.00 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 2dm0 s HIS 87 CO 0.00 -0.59 -0.20 0.00 -0.85 0.00 0.00 174.74 173.09 2dm0 s ALA 88 N 0.96 2.45 0.42 -1.40 0.00 -1.26 -4.17 121.76 118.77 2dm0 s ALA 88 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2dm0 s ALA 88 Cb -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2dm0 s ALA 88 CO -0.04 0.55 0.03 1.19 0.00 0.00 0.00 175.76 177.49 2dm0 n PHE 89 N 2.07 0.82 -0.04 0.00 3.01 -0.20 -4.91 117.46 118.22 2dm0 n PHE 89 Ca -0.16 -2.06 0.02 0.00 1.01 0.00 0.00 57.45 56.26 2dm0 n PHE 89 Cb 0.52 -0.29 -0.13 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.10 0.83 -4.16 -1.08 6.02 -1.26 -2.50 117.38 114.13 2dm0 n GLN 90 Ca -0.16 -0.10 -0.17 0.00 -0.01 0.00 0.00 57.00 56.56 2dm0 n GLN 90 Cb 0.53 -1.42 -0.12 0.00 1.02 0.00 0.00 30.24 30.25 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 -4.41 1.36 0.13 1.08 0.01 -1.26 -4.85 113.70 105.75 2dm0 s SER 91 Ca -0.07 -0.55 -0.19 0.00 1.31 0.00 0.00 55.95 56.45 2dm0 s SER 91 Cb 0.09 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 2dm0 s SER 91 CO 0.71 -0.10 1.76 0.40 0.41 0.00 0.00 173.24 176.42 2dm0 h ILE 92 N 4.42 0.98 0.00 1.44 1.08 -1.96 -1.21 117.51 122.26 2dm0 h ILE 92 Ca -0.38 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2dm0 h ILE 92 Cb 1.19 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2dm0 h ILE 92 CO 0.41 0.04 0.00 -0.81 -0.69 0.00 0.00 178.15 177.10 2dm0 n PRO 93 N -5.02 0.48 -0.11 2.37 -0.04 -1.26 -2.59 135.00 128.85 2dm0 n PRO 93 Ca -0.03 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.27 2dm0 n PRO 93 Cb 0.06 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.98 0.67 -0.22 0.54 -0.58 -0.49 -3.46 120.64 116.13 2dm0 n GLU 94 Ca 0.11 0.14 0.01 0.00 -0.42 0.00 0.00 57.16 57.00 2dm0 n GLU 94 Cb 0.05 -1.55 0.25 0.00 -0.57 0.00 0.00 31.44 29.62 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 0.01 0.85 0.00 -4.62 6.46 -1.21 -1.52 115.31 115.28 2dm0 h LEU 95 Ca -0.55 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 2dm0 h LEU 95 Cb 1.98 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 2dm0 h LEU 95 CO -0.04 0.61 -0.60 0.40 -0.62 0.00 0.00 178.44 178.19 2dm0 h ILE 96 N 1.01 0.00 -0.44 4.05 1.08 -1.76 -3.20 117.51 118.24 2dm0 h ILE 96 Ca 0.28 -0.56 0.04 0.00 -0.39 0.00 0.00 64.86 64.23 2dm0 h ILE 96 Cb -0.09 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 2dm0 h ILE 96 CO -0.07 0.00 0.20 -0.25 -0.69 0.00 0.00 178.15 177.34 2dm0 h TRP 97 N 0.00 0.36 0.00 1.37 -0.00 -1.30 -1.95 115.95 114.43 2dm0 h TRP 97 Ca 0.00 0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.76 2dm0 h TRP 97 Cb 0.78 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.83 2dm0 h TRP 97 CO 0.00 0.16 -0.81 1.88 -0.00 0.00 0.00 178.44 179.67 2dm0 h TYR 98 N 0.40 0.01 -0.98 2.65 0.05 -1.69 -3.37 116.97 114.04 2dm0 h TYR 98 Ca 0.20 -0.01 0.34 0.00 0.05 0.00 0.00 58.73 59.31 2dm0 h TYR 98 Cb 0.14 -0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.71 2dm0 h TYR 98 CO -0.12 1.32 0.35 0.45 -1.05 0.00 0.00 178.16 179.10 2dm0 h HIS 99 N -0.98 0.51 -1.00 4.88 3.86 -1.57 1.10 115.15 121.95 2dm0 h HIS 99 Ca -0.22 0.05 0.16 0.00 -1.16 0.00 0.00 60.37 59.20 2dm0 h HIS 99 Cb 1.21 -0.06 -0.10 0.00 1.06 0.00 0.00 27.41 29.52 2dm0 h HIS 99 CO 0.16 -0.39 0.62 1.96 0.86 0.00 0.00 177.93 181.15 2dm0 h GLN 100 N 0.08 0.83 0.16 2.45 1.08 -1.50 -1.87 115.11 116.33 2dm0 h GLN 100 Ca 0.72 -0.05 -0.33 0.00 -1.45 0.00 0.00 58.65 57.53 2dm0 h GLN 100 Cb 1.71 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.96 2dm0 h GLN 100 CO -0.78 0.55 -1.68 0.45 -0.95 0.00 0.00 178.83 176.42 2dm0 h HIS 101 N 0.85 0.61 -1.84 2.96 3.86 0.91 -3.41 115.15 119.09 2dm0 h HIS 101 Ca 0.54 -0.44 -0.18 0.00 -1.16 0.00 0.00 60.37 59.13 2dm0 h HIS 101 Cb 0.74 -0.02 -0.30 0.00 1.06 0.00 0.00 27.41 28.89 2dm0 h HIS 101 CO -0.00 1.56 -0.52 0.54 0.86 0.00 0.00 177.93 180.37 2dm0 s ASN 102 N -7.15 0.42 -1.11 2.45 4.22 0.51 -5.06 114.94 109.22 2dm0 s ASN 102 Ca -0.13 -0.10 -0.24 0.00 -2.14 0.00 0.00 52.86 50.25 2dm0 s ASN 102 Cb 0.06 1.06 -0.12 0.00 1.28 0.00 0.00 41.25 43.53 2dm0 s ASN 102 CO 0.85 -0.33 2.00 0.00 -2.04 0.00 0.00 177.10 177.59 2dm0 s ALA 103 N 2.53 1.40 -1.15 3.54 0.00 -0.85 -3.82 121.76 123.41 2dm0 s ALA 103 Ca 0.11 -1.85 -0.24 0.00 0.00 0.00 0.00 51.96 49.99 2dm0 s ALA 103 Cb -0.14 -4.67 -0.12 0.00 0.00 0.00 0.00 23.12 18.19 2dm0 s ALA 103 CO -0.23 -5.65 1.98 0.00 0.00 0.00 0.00 175.76 171.87 2dm0 s ALA 104 N 12.62 1.48 0.00 0.00 0.00 -1.26 -3.80 121.76 130.80 2dm0 s ALA 104 Ca 0.73 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2dm0 s ALA 104 Cb -0.03 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 18.41 2dm0 s ALA 104 CO 0.13 -5.62 0.00 0.41 0.00 0.00 0.00 175.76 170.67 2dm0 n GLY 105 N 5.93 0.00 3.88 0.00 0.00 -1.26 -4.70 105.19 109.03 2dm0 n GLY 105 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 2dm0 n GLY 105 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dm0 n LEU 106 N 0.00 -0.73 -3.79 0.99 7.94 -1.25 -4.89 117.00 115.28 2dm0 n LEU 106 Ca 0.00 -0.97 -0.12 0.00 -1.11 0.00 0.00 56.01 53.81 2dm0 n LEU 106 Cb 0.00 -1.20 -0.08 0.00 0.53 0.00 0.00 43.42 42.66 2dm0 n LEU 106 CO 0.00 0.35 -0.02 -0.32 -1.11 0.00 0.00 177.39 176.29 2dm0 s MET 107 N -6.32 0.71 0.24 1.96 1.75 -1.26 -5.13 119.30 111.25 2dm0 s MET 107 Ca 0.00 -0.43 -0.26 0.00 -1.25 0.00 0.00 55.69 53.76 2dm0 s MET 107 Cb -0.00 0.30 -0.17 0.00 2.84 0.00 0.00 34.83 37.81 2dm0 s MET 107 CO 0.76 -0.21 0.42 2.41 -0.65 0.00 0.00 175.02 177.75 2dm0 n THR 108 N 0.90 1.67 -3.80 10.11 -1.04 -1.26 -4.69 114.28 116.17 2dm0 n THR 108 Ca -0.20 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 60.94 2dm0 n THR 108 Cb 0.58 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.03 2dm0 n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dm0 s ARG 109 N -0.99 3.54 -0.08 -2.82 1.70 -1.26 -4.83 118.95 114.21 2dm0 s ARG 109 Ca 0.62 -0.02 -0.29 0.00 -0.47 0.00 0.00 55.73 55.57 2dm0 s ARG 109 Cb -0.85 -3.20 -0.06 0.00 -0.57 0.00 0.00 34.95 30.27 2dm0 s ARG 109 CO 0.57 0.76 1.91 -0.51 -1.08 0.00 0.00 175.30 176.95 2dm0 s LEU 110 N -1.05 4.09 0.00 -1.89 1.43 -1.26 -4.78 118.68 115.22 2dm0 s LEU 110 Ca 0.17 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 2dm0 s LEU 110 Cb -0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2dm0 s LEU 110 CO 0.06 -1.28 0.00 -2.11 0.23 0.00 0.00 176.35 173.25 2dm0 n ARG 111 N 7.78 0.89 -3.56 1.70 1.85 -1.25 -4.61 116.66 119.47 2dm0 n ARG 111 Ca 0.22 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.67 2dm0 n ARG 111 Cb 0.43 -0.94 -0.05 0.00 -1.05 0.00 0.00 32.46 30.84 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 -1.88 3.83 -1.18 2.89 2.02 -1.20 -5.00 117.35 116.84 2dm0 s TYR 112 Ca 0.00 -2.77 -0.23 0.00 -0.37 0.00 0.00 57.07 53.71 2dm0 s TYR 112 Cb 0.00 -3.41 -0.09 0.00 -0.40 0.00 0.00 41.96 38.06 2dm0 s TYR 112 CO 0.00 -0.83 1.93 -0.35 -1.57 0.00 0.00 175.55 174.73 2dm0 n PRO 113 N 2.86 1.59 -1.53 -1.71 -0.04 -1.26 -2.57 135.00 132.34 2dm0 n PRO 113 Ca 0.18 -2.45 -0.61 0.00 -0.04 0.00 0.00 63.50 60.58 2dm0 n PRO 113 Cb 0.39 -3.71 -0.09 0.00 -0.04 0.00 0.00 33.50 30.05 2dm0 n PRO 113 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dm0 n VAL 114 N 7.75 0.00 -1.44 0.52 0.31 -1.19 -4.72 118.33 119.56 2dm0 n VAL 114 Ca 0.45 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.48 2dm0 n VAL 114 Cb 0.46 -0.45 0.10 0.00 -0.91 0.00 0.00 33.84 33.04 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 3.01 1.63 -0.01 2.92 0.00 -1.26 -4.09 107.32 109.52 2dm0 s GLY 115 Ca 0.96 -0.12 -0.15 0.00 0.00 0.00 0.00 44.72 45.41 2dm0 s GLY 115 CO 0.72 0.31 0.77 1.41 0.00 0.00 0.00 173.10 176.32 2dm0 h LEU 116 N -1.20 -0.47 -0.76 0.66 3.38 -1.89 -3.20 115.31 111.83 2dm0 h LEU 116 Ca -0.47 0.02 0.31 0.00 0.09 0.00 0.00 57.88 57.82 2dm0 h LEU 116 Cb 1.27 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 42.00 2dm0 h LEU 116 CO 0.57 -0.17 0.38 1.15 0.09 0.00 0.00 178.44 180.47 2dm0 n MET 117 N -4.45 -0.05 0.00 1.13 0.00 -1.26 -4.54 117.12 107.96 2dm0 n MET 117 Ca -0.07 1.05 0.00 0.00 0.00 0.00 0.00 57.70 58.68 2dm0 n MET 117 Cb 0.22 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.57 2dm0 n MET 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dm0 n GLY 118 N -1.21 1.41 3.64 3.17 0.00 -1.21 -4.63 105.19 106.36 2dm0 n GLY 118 Ca 0.28 0.41 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 2dm0 n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm0 s SER 119 N -2.95 -0.19 0.29 1.61 1.04 -1.26 -5.10 113.70 107.14 2dm0 s SER 119 Ca 0.00 0.35 -0.15 0.00 0.48 0.00 0.00 55.95 56.63 2dm0 s SER 119 Cb 0.00 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.48 2dm0 s SER 119 CO 0.00 -0.07 0.62 -0.44 0.98 0.00 0.00 173.24 174.32 2dm0 s SER 120 N -0.01 -0.03 0.00 7.02 0.01 -1.26 -5.08 113.70 114.35 2dm0 s SER 120 Ca 0.06 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2dm0 s SER 120 Cb -0.05 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2dm0 s SER 120 CO -0.12 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 172.82 2dm0 n GLY 121 N -0.45 -0.40 3.77 3.44 0.00 -1.26 -5.16 105.19 105.13 2dm0 n GLY 121 Ca -0.03 0.63 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 3.76 -0.24 1.61 0.04 -1.26 -4.99 135.00 133.91 2dm0 s PRO 122 Ca 0.00 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 2dm0 s PRO 122 Cb 0.00 -2.40 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 2dm0 s PRO 122 CO 0.00 -0.55 -0.35 0.43 0.04 0.00 0.00 177.00 176.57 2dm0 n SER 123 N -0.49 1.91 -4.97 6.66 7.64 -1.26 -5.04 113.62 118.07 2dm0 n SER 123 Ca 0.07 0.33 -0.22 0.00 1.01 0.00 0.00 58.87 60.06 2dm0 n SER 123 Cb 0.48 -0.78 0.03 0.00 -1.01 0.00 0.00 64.21 62.93 2dm0 n SER 123 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dm0 s SER 124 N -6.99 4.96 0.00 6.43 1.04 -1.26 -5.39 113.70 112.50 2dm0 s SER 124 Ca -0.35 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2dm0 s SER 124 Cb 0.11 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2dm0 s SER 124 CO 0.46 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 174.13