#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 -2.81 -4.90 1.61 7.64 -1.26 -4.96 113.62 108.94 2dm0 n SER 2 Ca 0.00 -0.02 -0.28 0.00 1.01 0.00 0.00 58.87 59.58 2dm0 n SER 2 Cb 0.00 -0.83 0.03 0.00 -1.01 0.00 0.00 64.21 62.40 2dm0 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dm0 s SER 3 N -1.54 5.72 0.00 6.43 0.01 -1.26 -5.09 113.70 117.97 2dm0 s SER 3 Ca 0.49 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2dm0 s SER 3 Cb -0.06 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2dm0 s SER 3 CO 0.67 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2dm0 n GLY 4 N -2.66 0.84 3.82 3.44 0.00 -1.26 -5.13 105.19 104.23 2dm0 n GLY 4 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2dm0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm0 s SER 5 N -1.00 -0.03 -0.10 1.61 1.04 -1.26 -5.09 113.70 108.87 2dm0 s SER 5 Ca 0.00 -1.02 -0.07 0.00 0.48 0.00 0.00 55.95 55.34 2dm0 s SER 5 Cb 0.00 0.79 -0.06 0.00 0.10 0.00 0.00 66.02 66.85 2dm0 s SER 5 CO 0.00 -1.55 0.22 0.77 0.98 0.00 0.00 173.24 173.65 2dm0 h SER 6 N 2.00 -0.03 0.00 7.02 4.64 -2.09 -3.48 113.55 121.61 2dm0 h SER 6 Ca -0.30 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2dm0 h SER 6 Cb 1.25 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2dm0 h SER 6 CO 0.38 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 2dm0 n GLY 7 N 1.63 -1.11 3.24 -0.77 0.00 -1.26 -5.13 105.19 101.79 2dm0 n GLY 7 Ca -0.03 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 5.55 -1.19 1.61 -0.87 -1.26 -5.02 114.94 113.75 2dm0 s ASN 8 Ca 0.00 -1.61 -0.20 0.00 -1.57 0.00 0.00 52.86 49.48 2dm0 s ASN 8 Cb 0.00 -1.95 0.06 0.00 -0.02 0.00 0.00 41.25 39.34 2dm0 s ASN 8 CO 0.00 -0.54 1.63 -0.54 -2.57 0.00 0.00 177.10 175.08 2dm0 s LYS 9 N 1.37 3.83 0.21 -0.60 1.02 -1.26 -4.97 119.74 119.34 2dm0 s LYS 9 Ca 0.04 -1.66 -0.25 0.00 0.02 0.00 0.00 55.97 54.11 2dm0 s LYS 9 Cb -0.23 -5.47 -0.08 0.00 -0.52 0.00 0.00 37.83 31.52 2dm0 s LYS 9 CO 0.01 -2.25 0.82 0.42 -0.92 0.00 0.00 175.35 173.42 2dm0 s ILE 10 N 4.55 4.34 -0.10 2.17 1.01 -1.26 -5.06 121.20 126.84 2dm0 s ILE 10 Ca 0.51 1.70 -0.03 0.00 0.00 0.00 0.00 60.65 62.82 2dm0 s ILE 10 Cb 0.02 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.46 2dm0 s ILE 10 CO 0.01 0.39 0.16 -0.89 0.00 0.00 0.00 174.94 174.62 2dm0 s THR 11 N -1.30 -0.25 -0.25 2.92 2.01 -1.26 -5.12 115.64 112.38 2dm0 s THR 11 Ca 0.40 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2dm0 s THR 11 Cb -0.22 -0.35 0.07 0.00 0.01 0.00 0.00 72.50 72.01 2dm0 s THR 11 CO 0.26 0.08 -0.05 0.54 -0.69 0.00 0.00 174.62 174.76 2dm0 s ASN 12 N 2.28 4.02 -0.14 3.53 2.20 -1.26 -4.95 114.94 120.62 2dm0 s ASN 12 Ca 0.04 -1.31 0.08 0.00 -0.94 0.00 0.00 52.86 50.73 2dm0 s ASN 12 Cb -0.13 -1.25 -0.15 0.00 -2.00 0.00 0.00 41.25 37.72 2dm0 s ASN 12 CO -0.07 -0.25 -0.02 0.18 -2.94 0.00 0.00 177.10 174.01 2dm0 n LEU 13 N 4.61 0.98 -0.34 3.54 4.77 -1.26 -4.53 117.00 124.77 2dm0 n LEU 13 Ca -0.11 -0.03 0.21 0.00 -0.03 0.00 0.00 56.01 56.06 2dm0 n LEU 13 Cb 0.43 0.02 0.44 0.00 -2.33 0.00 0.00 43.42 41.99 2dm0 n LEU 13 CO 0.18 0.48 1.16 1.05 -1.33 0.00 0.00 177.39 178.93 2dm0 h GLU 14 N 0.00 0.43 -1.11 3.23 4.11 -1.92 0.44 114.58 119.76 2dm0 h GLU 14 Ca -0.37 -0.03 0.31 0.00 0.07 0.00 0.00 59.36 59.35 2dm0 h GLU 14 Cb 1.74 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.83 2dm0 h GLU 14 CO -0.01 0.29 0.76 -0.84 0.07 0.00 0.00 179.01 179.28 2dm0 h ILE 15 N 0.45 0.46 -3.80 -1.06 3.07 -1.96 -3.41 117.51 111.26 2dm0 h ILE 15 Ca 0.68 -0.06 -0.43 0.00 1.55 0.00 0.00 64.86 66.60 2dm0 h ILE 15 Cb 1.48 0.28 0.18 0.00 -0.27 0.00 0.00 36.82 38.48 2dm0 h ILE 15 CO -0.50 0.03 0.32 -0.31 -1.05 0.00 0.00 178.15 176.64 2dm0 s TYR 16 N -5.18 1.07 -0.07 0.16 2.02 0.15 -5.03 117.35 110.47 2dm0 s TYR 16 Ca -0.07 0.34 0.04 0.00 -0.37 0.00 0.00 57.07 57.01 2dm0 s TYR 16 Cb 0.24 -3.92 -0.07 0.00 -0.40 0.00 0.00 41.96 37.81 2dm0 s TYR 16 CO 0.80 -3.17 -0.01 -0.85 -1.57 0.00 0.00 175.55 170.75 2dm0 n GLU 17 N -4.17 2.04 0.00 -0.62 0.28 -1.26 -4.52 120.64 112.39 2dm0 n GLU 17 Ca 0.15 0.01 0.07 0.00 -0.16 0.00 0.00 57.16 57.24 2dm0 n GLU 17 Cb 0.59 -1.16 0.43 0.00 1.43 0.00 0.00 31.44 32.74 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 -2.40 0.00 -3.49 -1.84 4.27 -1.26 -3.55 117.44 109.17 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 0.68 0.00 -0.04 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 4.01 -1.04 -2.67 5.04 -1.26 -0.14 117.35 119.29 2dm0 s TYR 19 Ca 0.22 -2.77 -0.23 0.00 -2.44 0.00 0.00 57.07 51.85 2dm0 s TYR 19 Cb 0.10 -3.55 0.03 0.00 0.35 0.00 0.00 41.96 38.90 2dm0 s TYR 19 CO 0.17 -0.86 1.57 -1.01 -1.34 0.00 0.00 175.55 174.08 2dm0 s HIS 20 N -1.09 2.44 -0.06 4.97 3.76 -0.22 -4.75 115.29 120.34 2dm0 s HIS 20 Ca 0.27 -0.68 -0.13 0.00 -0.15 0.00 0.00 55.06 54.37 2dm0 s HIS 20 Cb -0.10 -4.59 -0.30 0.00 1.11 0.00 0.00 32.58 28.70 2dm0 s HIS 20 CO -0.10 -1.88 0.67 0.07 -0.85 0.00 0.00 174.74 172.66 2dm0 h ARG 21 N 9.75 0.37 -2.78 1.40 0.11 -1.95 -3.35 114.38 117.94 2dm0 h ARG 21 Ca 0.22 -0.64 -0.65 0.00 0.10 0.00 0.00 59.98 59.00 2dm0 h ARG 21 Cb 0.99 0.24 -0.03 0.00 1.11 0.00 0.00 29.97 32.28 2dm0 h ARG 21 CO 1.40 1.31 3.00 -1.71 0.10 0.00 0.00 179.97 184.07 2dm0 n ASN 22 N -3.68 8.23 -3.67 0.08 5.15 -1.26 -4.62 115.26 115.50 2dm0 n ASN 22 Ca -0.24 -2.76 -0.13 0.00 -0.60 0.00 0.00 54.58 50.85 2dm0 n ASN 22 Cb 1.04 -1.48 -0.06 0.00 -0.53 0.00 0.00 39.78 38.75 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 0.91 0.00 0.22 -1.44 -4.36 -1.26 -5.14 121.20 110.13 2dm0 s ILE 23 Ca 0.65 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.38 2dm0 s ILE 23 Cb 0.20 -2.48 -0.05 0.00 1.25 0.00 0.00 42.46 41.38 2dm0 s ILE 23 CO -0.07 0.00 -0.02 0.28 0.24 0.00 0.00 174.94 175.37 2dm0 s THR 24 N -3.60 1.03 0.23 8.37 -1.32 -1.26 -4.90 115.64 114.20 2dm0 s THR 24 Ca 0.32 -2.03 -0.07 0.00 -1.21 0.00 0.00 61.69 58.69 2dm0 s THR 24 Cb 0.02 -2.27 0.38 0.00 -1.51 0.00 0.00 72.50 69.11 2dm0 s THR 24 CO 0.16 -0.39 1.31 -1.14 -2.21 0.00 0.00 174.62 172.35 2dm0 n ARG 25 N -0.38 -0.08 0.24 7.08 3.00 -1.26 0.09 116.66 125.34 2dm0 n ARG 25 Ca -0.06 1.30 -0.16 0.00 -0.00 0.00 0.00 57.85 58.94 2dm0 n ARG 25 Cb 0.63 -1.95 -0.08 0.00 0.00 0.00 0.00 32.46 31.07 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2dm0 h ASN 26 N 0.00 -1.06 -0.26 6.15 -0.73 -2.00 -2.88 115.58 114.80 2dm0 h ASN 26 Ca 0.40 0.09 0.05 0.00 1.87 0.00 0.00 56.30 58.71 2dm0 h ASN 26 Cb 0.61 0.36 -0.08 0.00 0.27 0.00 0.00 38.32 39.48 2dm0 h ASN 26 CO -0.86 -0.54 -0.44 1.56 -0.37 0.00 0.00 177.43 176.78 2dm0 h GLN 27 N -0.79 -0.41 -0.94 6.67 1.08 -0.74 0.15 115.11 120.13 2dm0 h GLN 27 Ca -0.03 0.03 0.18 0.00 -1.45 0.00 0.00 58.65 57.37 2dm0 h GLN 27 Cb 0.71 0.09 -0.17 0.00 -0.05 0.00 0.00 27.48 28.07 2dm0 h GLN 27 CO -0.07 -0.27 -0.27 0.00 -0.95 0.00 0.00 178.83 177.27 2dm0 n ALA 28 N -3.00 0.13 0.13 3.87 0.00 -0.44 0.56 120.51 121.77 2dm0 n ALA 28 Ca -0.03 1.00 -0.12 0.00 0.00 0.00 0.00 53.44 54.30 2dm0 n ALA 28 Cb 0.36 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 2dm0 n ALA 28 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dm0 h GLU 29 N 0.00 -0.38 -0.06 0.00 5.08 -1.05 -3.22 114.58 114.95 2dm0 h GLU 29 Ca 0.42 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 2dm0 h GLU 29 Cb 0.65 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 2dm0 h GLU 29 CO -0.96 -0.04 -0.34 1.25 -1.00 0.00 0.00 179.01 177.92 2dm0 h HIS 30 N -0.89 -1.02 -0.73 4.33 2.76 0.92 0.80 115.15 121.32 2dm0 h HIS 30 Ca -0.04 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.29 2dm0 h HIS 30 Cb 0.52 0.45 -0.13 0.00 1.55 0.00 0.00 27.41 29.80 2dm0 h HIS 30 CO 0.04 -0.35 -0.25 1.28 -1.30 0.00 0.00 177.93 177.36 2dm0 n LEU 31 N -4.37 -0.39 0.08 0.26 4.77 0.19 0.50 117.00 118.03 2dm0 n LEU 31 Ca -0.04 1.27 -0.13 0.00 -0.03 0.00 0.00 56.01 57.08 2dm0 n LEU 31 Cb 0.24 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2dm0 n LEU 31 CO 0.06 -1.17 0.69 -0.07 -1.33 0.00 0.00 177.39 175.57 2dm0 h LEU 32 N 0.00 -0.15 -0.74 2.23 3.38 -1.37 -3.16 115.31 115.50 2dm0 h LEU 32 Ca 0.29 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2dm0 h LEU 32 Cb 0.47 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 2dm0 h LEU 32 CO -0.74 0.13 -0.27 0.03 0.09 0.00 0.00 178.44 177.69 2dm0 h ARG 33 N -0.43 -0.06 -0.77 1.13 2.47 0.25 0.19 114.38 117.16 2dm0 h ARG 33 Ca -0.02 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.88 2dm0 h ARG 33 Cb 0.34 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 28.54 2dm0 h ARG 33 CO 0.03 -0.04 0.01 1.96 0.56 0.00 0.00 179.97 182.49 2dm0 h GLN 34 N -0.06 0.10 -0.51 0.04 4.20 -1.00 0.14 115.11 118.02 2dm0 h GLN 34 Ca 0.32 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.96 2dm0 h GLN 34 Cb 0.57 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2dm0 h GLN 34 CO -0.78 0.06 0.06 0.93 -0.67 0.00 0.00 178.83 178.44 2dm0 h GLU 35 N 0.10 0.85 -6.50 1.46 4.39 -0.71 -3.47 114.58 110.69 2dm0 h GLU 35 Ca 0.43 -0.24 -0.50 0.00 0.34 0.00 0.00 59.36 59.39 2dm0 h GLU 35 Cb 0.76 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2dm0 h GLU 35 CO -0.68 0.85 -0.91 -1.13 -1.16 0.00 0.00 179.01 175.98 2dm0 n SER 36 N -4.38 -1.42 -3.67 1.42 3.41 0.47 -4.97 113.62 104.48 2dm0 n SER 36 Ca 0.01 -1.04 -0.12 0.00 -0.26 0.00 0.00 58.87 57.46 2dm0 n SER 36 Cb 0.27 -2.95 -0.12 0.00 -0.26 0.00 0.00 64.21 61.15 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 -6.54 0.23 -0.17 4.33 -2.85 -1.26 -5.08 119.74 108.39 2dm0 s LYS 37 Ca 0.12 0.80 -0.40 0.00 -1.00 0.00 0.00 55.97 55.50 2dm0 s LYS 37 Cb -0.05 0.06 -0.17 0.00 -2.06 0.00 0.00 37.83 35.61 2dm0 s LYS 37 CO 0.89 -0.25 1.52 -1.91 0.10 0.00 0.00 175.35 175.71 2dm0 n GLU 38 N 5.11 0.85 0.00 1.78 2.13 -1.26 -2.27 120.64 126.97 2dm0 n GLU 38 Ca -0.11 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2dm0 n GLU 38 Cb 0.51 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.28 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 3.35 3.38 3.32 8.31 0.00 -1.18 -4.76 105.19 117.61 2dm0 n GLY 39 Ca 0.24 -0.97 -0.55 0.00 0.00 0.00 0.00 46.02 44.73 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 0.37 -2.44 4.61 0.00 -0.96 -3.21 120.51 118.86 2dm0 n ALA 40 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 2dm0 n ALA 40 Cb 0.00 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.15 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 6.73 1.68 0.09 0.00 -0.71 -0.59 -0.04 117.98 125.14 2dm0 s PHE 41 Ca 1.20 -0.51 -0.20 0.00 -1.04 0.00 0.00 56.93 56.38 2dm0 s PHE 41 Cb -1.35 -0.84 0.05 0.00 -1.21 0.00 0.00 43.02 39.67 2dm0 s PHE 41 CO 0.60 0.28 0.49 0.96 -1.34 0.00 0.00 175.22 176.21 2dm0 s ILE 42 N -2.23 0.04 -0.33 -4.49 -4.36 -0.27 -2.99 121.20 106.56 2dm0 s ILE 42 Ca 0.15 -0.31 0.02 0.00 -0.26 0.00 0.00 60.65 60.24 2dm0 s ILE 42 Cb -0.05 -1.04 0.09 0.00 1.25 0.00 0.00 42.46 42.72 2dm0 s ILE 42 CO 0.06 -0.17 0.04 -0.69 0.24 0.00 0.00 174.94 174.41 2dm0 s VAL 43 N -3.11 2.53 0.33 8.37 1.01 0.80 -0.09 120.40 130.24 2dm0 s VAL 43 Ca -0.02 -2.03 0.04 0.00 0.00 0.00 0.00 61.98 59.97 2dm0 s VAL 43 Cb 0.00 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2dm0 s VAL 43 CO -0.07 -0.44 0.49 0.00 0.00 0.00 0.00 175.10 175.08 2dm0 s ARG 44 N 1.03 3.27 -0.14 2.72 1.70 0.19 -1.06 118.95 126.66 2dm0 s ARG 44 Ca 0.04 -0.72 -0.10 0.00 -0.47 0.00 0.00 55.73 54.48 2dm0 s ARG 44 Cb -0.20 -2.77 -0.05 0.00 -0.57 0.00 0.00 34.95 31.37 2dm0 s ARG 44 CO -0.06 0.13 0.20 0.34 -1.08 0.00 0.00 175.30 174.83 2dm0 s ASP 45 N -4.10 6.39 -1.36 -2.89 -1.08 -1.26 -0.44 116.67 111.92 2dm0 s ASP 45 Ca 0.41 0.45 -0.15 0.00 -0.52 0.00 0.00 52.55 52.75 2dm0 s ASP 45 Cb -0.09 -2.12 0.08 0.00 -1.46 0.00 0.00 42.92 39.32 2dm0 s ASP 45 CO 0.33 0.26 1.96 -1.20 0.52 0.00 0.00 175.17 177.04 2dm0 n SER 46 N 2.79 4.48 -0.40 -0.34 7.64 -0.87 -4.79 113.62 122.14 2dm0 n SER 46 Ca -0.16 -2.91 0.33 0.00 1.01 0.00 0.00 58.87 57.13 2dm0 n SER 46 Cb 0.53 -1.66 0.54 0.00 -1.01 0.00 0.00 64.21 62.61 2dm0 n SER 46 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dm0 n ARG 47 N 6.54 -0.02 -0.05 1.43 0.63 -1.26 0.79 116.66 124.71 2dm0 n ARG 47 Ca 0.48 0.93 -0.09 0.00 -0.92 0.00 0.00 57.85 58.25 2dm0 n ARG 47 Cb 0.41 -1.89 -0.03 0.00 0.45 0.00 0.00 32.46 31.41 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 -0.83 -3.74 -0.14 2.76 -1.95 -3.45 115.15 107.79 2dm0 h HIS 48 Ca 0.68 0.05 -0.46 0.00 -2.20 0.00 0.00 60.37 58.44 2dm0 h HIS 48 Cb 2.30 0.40 -0.14 0.00 1.55 0.00 0.00 27.41 31.53 2dm0 h HIS 48 CO -0.00 -0.37 -0.54 -1.17 -1.30 0.00 0.00 177.93 174.54 2dm0 s LEU 49 N -10.50 1.77 0.00 0.26 2.96 0.24 -5.02 118.68 108.38 2dm0 s LEU 49 Ca -0.15 -1.60 -0.03 0.00 -0.22 0.00 0.00 54.13 52.13 2dm0 s LEU 49 Cb 0.12 0.16 -0.13 0.00 0.50 0.00 0.00 46.19 46.84 2dm0 s LEU 49 CO 0.67 -0.91 2.36 0.61 -1.32 0.00 0.00 176.35 177.76 2dm0 n GLY 50 N -0.66 2.32 2.78 7.98 0.00 -1.26 -4.42 105.19 111.93 2dm0 n GLY 50 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2dm0 n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm0 n SER 51 N 2.26 3.02 -4.39 1.61 7.64 -1.26 -5.05 113.62 117.44 2dm0 n SER 51 Ca 0.20 -2.70 -0.20 0.00 1.01 0.00 0.00 58.87 57.19 2dm0 n SER 51 Cb 0.58 0.29 -0.10 0.00 -1.01 0.00 0.00 64.21 63.96 2dm0 n SER 51 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2dm0 s TYR 52 N -2.41 1.79 -0.01 1.43 2.02 -1.25 -2.05 117.35 116.87 2dm0 s TYR 52 Ca 0.01 -0.93 -0.13 0.00 -0.37 0.00 0.00 57.07 55.64 2dm0 s TYR 52 Cb 0.00 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.48 2dm0 s TYR 52 CO 0.00 -0.00 0.27 0.99 -1.57 0.00 0.00 175.55 175.24 2dm0 s THR 53 N -3.34 0.06 -0.04 -0.71 2.01 0.41 -0.25 115.64 113.78 2dm0 s THR 53 Ca 0.33 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.86 2dm0 s THR 53 Cb 0.07 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 2dm0 s THR 53 CO 0.13 -0.29 -0.21 -0.63 -0.69 0.00 0.00 174.62 172.93 2dm0 s ILE 54 N -1.34 2.44 -0.26 1.82 1.01 0.19 0.55 121.20 125.61 2dm0 s ILE 54 Ca -0.14 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.59 2dm0 s ILE 54 Cb -0.06 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.56 2dm0 s ILE 54 CO 0.04 0.58 -0.10 -0.55 0.00 0.00 0.00 174.94 174.90 2dm0 s SER 55 N -0.50 4.42 0.04 3.58 0.15 0.86 -1.10 113.70 121.16 2dm0 s SER 55 Ca 0.06 -1.34 0.05 0.00 0.70 0.00 0.00 55.95 55.42 2dm0 s SER 55 Cb -0.11 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 2dm0 s SER 55 CO 0.01 -0.19 -0.08 -0.69 1.20 0.00 0.00 173.24 173.49 2dm0 s VAL 56 N 1.13 3.50 -0.54 4.45 1.01 -1.12 -1.12 120.40 127.72 2dm0 s VAL 56 Ca -0.08 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 2dm0 s VAL 56 Cb -0.20 -2.57 0.07 0.00 0.00 0.00 0.00 36.38 33.69 2dm0 s VAL 56 CO -0.05 0.28 0.65 0.12 0.00 0.00 0.00 175.10 176.10 2dm0 s PHE 57 N -1.08 3.03 0.01 5.22 5.36 0.94 -1.84 117.98 129.61 2dm0 s PHE 57 Ca 0.19 -0.69 -0.25 0.00 -0.96 0.00 0.00 56.93 55.22 2dm0 s PHE 57 Cb -0.11 -3.70 -0.19 0.00 -0.34 0.00 0.00 43.02 38.68 2dm0 s PHE 57 CO 0.10 -1.12 1.36 0.52 -1.46 0.00 0.00 175.22 174.62 2dm0 h MET 58 N 9.06 -0.04 0.00 10.12 2.86 0.04 -3.11 114.93 133.85 2dm0 h MET 58 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2dm0 h MET 58 Cb 1.09 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2dm0 h MET 58 CO 1.01 0.32 0.00 0.41 1.06 0.00 0.00 176.91 179.71 2dm0 n GLY 59 N -0.11 3.13 3.55 8.32 0.00 -1.14 -4.66 105.19 114.27 2dm0 n GLY 59 Ca -0.08 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 2dm0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 n ALA 60 N 0.68 0.71 -0.03 4.61 0.00 -1.26 -4.12 120.51 121.10 2dm0 n ALA 60 Ca 0.00 -2.49 -0.06 0.00 0.00 0.00 0.00 53.44 50.89 2dm0 n ALA 60 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 19.45 15.99 2dm0 n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dm0 n ARG 61 N 8.10 0.12 -0.09 0.00 5.12 -1.26 -4.86 116.66 123.78 2dm0 n ARG 61 Ca 0.43 0.05 -0.23 0.00 -1.93 0.00 0.00 57.85 56.17 2dm0 n ARG 61 Cb 0.46 -0.77 -0.12 0.00 -1.16 0.00 0.00 32.46 30.87 2dm0 n ARG 61 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2dm0 n ARG 62 N -3.16 0.63 -1.88 5.56 1.74 -1.26 -4.98 116.66 113.31 2dm0 n ARG 62 Ca -0.11 0.35 -0.29 0.00 -0.77 0.00 0.00 57.85 57.03 2dm0 n ARG 62 Cb 0.58 -1.63 0.12 0.00 -1.02 0.00 0.00 32.46 30.52 2dm0 n ARG 62 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dm0 s SER 63 N -7.02 3.98 0.48 0.55 0.01 -1.26 -4.96 113.70 105.47 2dm0 s SER 63 Ca -0.31 0.63 0.27 0.00 1.31 0.00 0.00 55.95 57.85 2dm0 s SER 63 Cb 0.09 -0.98 1.01 0.00 0.21 0.00 0.00 66.02 66.35 2dm0 s SER 63 CO 0.60 -2.22 1.86 0.74 0.41 0.00 0.00 173.24 174.63 2dm0 h THR 64 N -1.28 0.29 -4.45 1.44 2.02 -1.95 -3.46 112.91 105.52 2dm0 h THR 64 Ca -0.46 -0.90 -0.42 0.00 0.77 0.00 0.00 66.41 65.40 2dm0 h THR 64 Cb 1.30 1.71 -0.11 0.00 -1.74 0.00 0.00 68.15 69.31 2dm0 h THR 64 CO 0.57 0.12 -0.40 -1.84 0.37 0.00 0.00 175.52 174.34 2dm0 n GLU 65 N -3.24 0.40 -0.96 6.66 0.28 -1.26 -5.03 120.64 117.49 2dm0 n GLU 65 Ca 0.01 -2.84 -0.34 0.00 -0.16 0.00 0.00 57.16 53.82 2dm0 n GLU 65 Cb 0.40 2.18 0.04 0.00 1.43 0.00 0.00 31.44 35.49 2dm0 n GLU 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dm0 n ALA 66 N -1.12 -5.38 -3.52 -1.84 0.00 -1.26 -4.08 120.51 103.31 2dm0 n ALA 66 Ca -0.11 -0.66 -0.22 0.00 0.00 0.00 0.00 53.44 52.45 2dm0 n ALA 66 Cb 0.51 -1.09 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.91 1.00 -0.05 0.00 0.00 -1.26 -4.66 121.76 114.87 2dm0 s ALA 67 Ca 0.38 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2dm0 s ALA 67 Cb -0.17 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2dm0 s ALA 67 CO 0.79 0.07 -0.04 0.42 0.00 0.00 0.00 175.76 177.00 2dm0 s ILE 68 N 0.74 0.56 0.29 0.00 1.01 -1.26 0.79 121.20 123.33 2dm0 s ILE 68 Ca -0.13 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.47 2dm0 s ILE 68 Cb -0.15 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 2dm0 s ILE 68 CO 0.02 0.24 0.26 -0.54 0.00 0.00 0.00 174.94 174.92 2dm0 s LYS 69 N 1.04 2.87 -0.25 2.79 3.01 -0.77 -4.96 119.74 123.46 2dm0 s LYS 69 Ca -0.09 -1.15 -0.02 0.00 -1.01 0.00 0.00 55.97 53.71 2dm0 s LYS 69 Cb -0.14 -2.55 0.08 0.00 -1.01 0.00 0.00 37.83 34.21 2dm0 s LYS 69 CO -0.01 0.25 0.06 -1.01 0.51 0.00 0.00 175.35 175.15 2dm0 s HIS 70 N -2.21 1.36 -0.36 3.18 3.76 -1.26 -2.79 115.29 116.97 2dm0 s HIS 70 Ca 0.37 -1.30 -0.15 0.00 -0.15 0.00 0.00 55.06 53.83 2dm0 s HIS 70 Cb -0.07 -1.35 -0.00 0.00 1.11 0.00 0.00 32.58 32.27 2dm0 s HIS 70 CO 0.26 -0.75 0.37 0.71 -0.85 0.00 0.00 174.74 174.47 2dm0 s TYR 71 N 1.74 3.20 0.17 1.40 2.02 -0.26 -4.88 117.35 120.74 2dm0 s TYR 71 Ca 0.04 -0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.28 2dm0 s TYR 71 Cb -0.17 -2.70 -0.07 0.00 -0.40 0.00 0.00 41.96 38.62 2dm0 s TYR 71 CO -0.17 -0.50 1.03 -0.65 -1.57 0.00 0.00 175.55 173.69 2dm0 s GLN 72 N 2.00 4.66 -0.49 -0.62 -0.21 -1.26 -0.64 119.66 123.10 2dm0 s GLN 72 Ca 0.11 1.60 -0.18 0.00 0.02 0.00 0.00 55.36 56.91 2dm0 s GLN 72 Cb -0.17 -3.31 0.07 0.00 1.00 0.00 0.00 33.01 30.60 2dm0 s GLN 72 CO 0.12 0.18 0.53 0.42 -2.12 0.00 0.00 175.29 174.42 2dm0 s ILE 73 N -0.30 5.03 0.43 1.08 1.01 0.65 -4.59 121.20 124.51 2dm0 s ILE 73 Ca 0.47 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.45 2dm0 s ILE 73 Cb -0.27 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 37.99 2dm0 s ILE 73 CO 0.33 -0.71 0.58 -0.54 0.00 0.00 0.00 174.94 174.60 2dm0 s LYS 74 N 2.20 2.78 -0.12 2.79 3.01 -0.89 -3.75 119.74 125.77 2dm0 s LYS 74 Ca 0.10 -1.28 0.00 0.00 -1.01 0.00 0.00 55.97 53.79 2dm0 s LYS 74 Cb -0.22 -2.75 0.02 0.00 -1.01 0.00 0.00 37.83 33.88 2dm0 s LYS 74 CO 0.09 -0.32 -0.11 0.21 0.51 0.00 0.00 175.35 175.74 2dm0 s LYS 75 N -4.37 1.81 0.45 1.68 2.20 -1.26 -0.64 119.74 119.61 2dm0 s LYS 75 Ca 0.55 -0.38 -0.07 0.00 -0.36 0.00 0.00 55.97 55.71 2dm0 s LYS 75 Cb -0.10 -1.73 0.11 0.00 -1.51 0.00 0.00 37.83 34.61 2dm0 s LYS 75 CO 0.33 -0.21 0.34 0.27 -0.36 0.00 0.00 175.35 175.73 2dm0 n ASN 76 N 4.70 -1.91 -0.14 1.43 0.23 -0.72 -4.84 115.26 114.01 2dm0 n ASN 76 Ca -0.15 -0.56 0.00 0.00 -0.53 0.00 0.00 54.58 53.34 2dm0 n ASN 76 Cb 0.50 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 2dm0 n ASN 76 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2dm0 n ASP 77 N -3.76 0.24 -0.32 0.53 8.00 -1.26 -2.80 116.55 117.18 2dm0 n ASP 77 Ca 0.05 -1.80 0.08 0.00 0.71 0.00 0.00 54.79 53.82 2dm0 n ASP 77 Cb 0.20 -0.12 0.15 0.00 -0.02 0.00 0.00 41.12 41.33 2dm0 n ASP 77 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2dm0 n SER 78 N -0.35 2.76 -2.76 -2.24 2.88 -1.26 -4.97 113.62 107.68 2dm0 n SER 78 Ca 0.00 -2.83 -0.21 0.00 -1.33 0.00 0.00 58.87 54.50 2dm0 n SER 78 Cb 0.06 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.15 2dm0 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm0 n GLY 79 N -0.91 -0.51 3.28 0.46 0.00 -1.12 -4.97 105.19 101.41 2dm0 n GLY 79 Ca 0.15 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 2.68 0.44 1.61 -0.21 -1.26 -4.91 119.66 112.60 2dm0 s GLN 80 Ca 0.16 -0.88 -0.21 0.00 0.02 0.00 0.00 55.36 54.46 2dm0 s GLN 80 Cb -0.08 -2.23 -0.11 0.00 1.00 0.00 0.00 33.01 31.60 2dm0 s GLN 80 CO 0.20 0.35 0.96 -1.58 -2.12 0.00 0.00 175.29 173.10 2dm0 s TRP 81 N -0.08 3.29 -0.19 0.91 0.52 -1.18 -1.75 118.94 120.46 2dm0 s TRP 81 Ca -0.06 1.61 -0.27 0.00 0.02 0.00 0.00 56.10 57.39 2dm0 s TRP 81 Cb -0.14 -2.87 0.07 0.00 -1.15 0.00 0.00 33.47 29.38 2dm0 s TRP 81 CO 0.04 -0.17 0.72 1.52 0.02 0.00 0.00 176.95 179.09 2dm0 s TYR 82 N -2.17 -0.72 -0.16 -1.98 -0.85 0.19 -0.77 117.35 110.89 2dm0 s TYR 82 Ca 0.62 1.58 -0.12 0.00 -0.52 0.00 0.00 57.07 58.64 2dm0 s TYR 82 Cb -0.10 0.33 -0.07 0.00 0.38 0.00 0.00 41.96 42.51 2dm0 s TYR 82 CO 0.14 -0.46 -0.26 0.28 -1.52 0.00 0.00 175.55 173.73 2dm0 n VAL 83 N 1.97 1.27 1.85 -3.49 0.31 -1.26 -2.08 118.33 116.90 2dm0 n VAL 83 Ca -0.16 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2dm0 n VAL 83 Cb 0.56 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 -4.06 2.49 -2.08 3.52 0.00 -1.26 -4.84 120.51 114.28 2dm0 n ALA 84 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.09 2dm0 n ALA 84 Cb 0.60 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 2dm0 n ALA 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dm0 n GLU 85 N -0.43 -2.05 0.00 0.00 2.13 -1.26 -4.62 120.64 114.40 2dm0 n GLU 85 Ca 0.00 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2dm0 n GLU 85 Cb 0.03 -4.90 0.00 0.00 0.27 0.00 0.00 31.44 26.84 2dm0 n GLU 85 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dm0 n ARG 86 N -2.36 1.39 -4.00 5.31 5.12 -1.26 -5.00 116.66 115.85 2dm0 n ARG 86 Ca -0.10 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.51 2dm0 n ARG 86 Cb 0.49 -0.72 -0.15 0.00 -1.16 0.00 0.00 32.46 30.92 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 -1.43 3.39 0.06 -1.55 3.76 -1.26 -5.11 115.29 113.15 2dm0 s HIS 87 Ca 0.00 -2.66 -0.09 0.00 -0.15 0.00 0.00 55.06 52.16 2dm0 s HIS 87 Cb 0.00 -2.51 -0.05 0.00 1.11 0.00 0.00 32.58 31.13 2dm0 s HIS 87 CO 0.00 -0.92 0.36 0.00 -0.85 0.00 0.00 174.74 173.33 2dm0 s ALA 88 N 1.04 3.77 0.30 -1.40 0.00 -1.26 -4.41 121.76 119.79 2dm0 s ALA 88 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2dm0 s ALA 88 Cb -0.19 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.73 2dm0 s ALA 88 CO -0.09 0.60 0.02 1.19 0.00 0.00 0.00 175.76 177.48 2dm0 n PHE 89 N 0.94 0.52 -0.02 0.00 3.01 0.05 -4.94 117.46 117.02 2dm0 n PHE 89 Ca -0.09 -1.44 0.06 0.00 1.01 0.00 0.00 57.45 56.99 2dm0 n PHE 89 Cb 0.52 -0.20 -0.14 0.00 -0.01 0.00 0.00 39.48 39.65 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 -0.78 0.68 -3.94 -1.08 6.02 -1.26 -3.10 117.38 113.92 2dm0 n GLN 90 Ca -0.11 -0.14 -0.09 0.00 -0.01 0.00 0.00 57.00 56.64 2dm0 n GLN 90 Cb 0.37 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 30.10 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 -4.31 0.18 0.12 1.08 0.01 -1.26 -4.86 113.70 104.66 2dm0 s SER 91 Ca -0.07 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 56.50 2dm0 s SER 91 Cb 0.11 0.20 -0.07 0.00 0.21 0.00 0.00 66.02 66.47 2dm0 s SER 91 CO 0.76 -0.45 1.78 0.40 0.41 0.00 0.00 173.24 176.13 2dm0 h ILE 92 N 3.92 1.05 0.00 1.44 1.08 -1.97 -1.50 117.51 121.53 2dm0 h ILE 92 Ca -0.32 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2dm0 h ILE 92 Cb 1.19 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 2dm0 h ILE 92 CO 0.48 0.05 0.00 -0.81 -0.69 0.00 0.00 178.15 177.18 2dm0 n PRO 93 N -4.95 0.49 -0.12 2.37 -0.04 -1.26 -2.76 135.00 128.73 2dm0 n PRO 93 Ca -0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 2dm0 n PRO 93 Cb 0.03 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 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 -0.85 0.58 -0.17 0.54 -0.58 -0.60 -3.62 120.64 115.94 2dm0 n GLU 94 Ca 0.08 0.17 0.13 0.00 -0.42 0.00 0.00 57.16 57.12 2dm0 n GLU 94 Cb 0.04 -1.46 0.46 0.00 -0.57 0.00 0.00 31.44 29.91 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 -0.28 0.47 0.00 -4.62 6.46 -1.29 0.19 115.31 116.24 2dm0 h LEU 95 Ca -0.57 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.17 2dm0 h LEU 95 Cb 1.75 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.60 2dm0 h LEU 95 CO -0.18 0.26 -0.89 0.40 -0.62 0.00 0.00 178.44 177.41 2dm0 h ILE 96 N 0.50 0.16 -0.62 4.05 1.08 -1.78 -3.08 117.51 117.83 2dm0 h ILE 96 Ca 0.36 -1.28 0.11 0.00 -0.39 0.00 0.00 64.86 63.66 2dm0 h ILE 96 Cb 0.70 1.75 -0.08 0.00 -3.07 0.00 0.00 36.82 36.11 2dm0 h ILE 96 CO -0.12 0.09 0.17 -0.25 -0.69 0.00 0.00 178.15 177.35 2dm0 h TRP 97 N 0.00 0.29 0.00 1.37 -0.00 -1.01 -1.85 115.95 114.75 2dm0 h TRP 97 Ca -0.03 0.03 -0.17 0.00 -0.00 0.00 0.00 58.89 58.72 2dm0 h TRP 97 Cb 1.14 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 30.24 2dm0 h TRP 97 CO 0.00 0.01 -1.10 0.66 -0.00 0.00 0.00 178.44 178.02 2dm0 n TYR 98 N -5.08 0.91 -0.28 2.65 4.02 -1.20 -4.28 117.16 113.91 2dm0 n TYR 98 Ca 0.09 0.39 0.21 0.00 -0.01 0.00 0.00 57.90 58.59 2dm0 n TYR 98 Cb 0.32 -0.98 0.39 0.00 -0.02 0.00 0.00 39.34 39.05 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 -4.48 0.80 -0.37 -0.72 8.25 -1.16 0.23 115.22 117.77 2dm0 n HIS 99 Ca -0.25 1.01 0.01 0.00 -0.26 0.00 0.00 57.72 58.23 2dm0 n HIS 99 Cb 0.56 -1.30 0.07 0.00 1.12 0.00 0.00 29.99 30.45 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 0.14 -0.41 4.20 -1.51 -1.85 115.11 115.68 2dm0 h GLN 100 Ca 0.63 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.98 2dm0 h GLN 100 Cb 1.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 2dm0 h GLN 100 CO -0.71 -0.00 -1.91 1.25 -0.67 0.00 0.00 178.83 176.79 2dm0 h HIS 101 N -0.00 0.55 -2.78 2.96 2.76 -0.47 -3.33 115.15 114.84 2dm0 h HIS 101 Ca 0.39 -0.40 -0.68 0.00 -2.20 0.00 0.00 60.37 57.47 2dm0 h HIS 101 Cb 0.64 -0.02 -0.18 0.00 1.55 0.00 0.00 27.41 29.40 2dm0 h HIS 101 CO -0.83 1.75 0.40 -0.80 -1.30 0.00 0.00 177.93 177.15 2dm0 s ASN 102 N -7.12 6.31 -0.77 3.26 0.02 -0.01 -4.95 114.94 111.67 2dm0 s ASN 102 Ca -0.20 -1.52 -0.26 0.00 -1.02 0.00 0.00 52.86 49.86 2dm0 s ASN 102 Cb 0.06 -2.35 -0.22 0.00 0.02 0.00 0.00 41.25 38.76 2dm0 s ASN 102 CO 0.79 -1.17 1.90 0.00 0.02 0.00 0.00 177.10 178.65 2dm0 n ALA 103 N 6.63 1.35 -2.61 0.60 0.00 -1.22 -4.11 120.51 121.15 2dm0 n ALA 103 Ca 0.01 -2.75 -0.41 0.00 0.00 0.00 0.00 53.44 50.29 2dm0 n ALA 103 Cb 0.45 -3.54 -0.07 0.00 0.00 0.00 0.00 19.45 16.29 2dm0 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm0 s ALA 104 N 10.83 3.57 0.00 0.00 0.00 -1.26 -4.55 121.76 130.35 2dm0 s ALA 104 Ca 0.71 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2dm0 s ALA 104 Cb 0.05 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2dm0 s ALA 104 CO 0.20 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2dm0 n GLY 105 N 4.33 2.36 3.58 0.00 0.00 -1.26 -4.86 105.19 109.33 2dm0 n GLY 105 Ca -0.01 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 3.22 0.17 0.99 2.01 -1.26 -5.01 118.68 118.79 2dm0 s LEU 106 Ca 0.00 -0.03 -0.13 0.00 0.01 0.00 0.00 54.13 53.99 2dm0 s LEU 106 Cb 0.00 -1.72 0.17 0.00 0.01 0.00 0.00 46.19 44.65 2dm0 s LEU 106 CO 0.00 0.33 1.13 0.23 1.01 0.00 0.00 176.35 179.05 2dm0 n MET 107 N 2.44 -0.17 -1.88 1.70 2.81 -1.26 -4.32 117.12 116.43 2dm0 n MET 107 Ca -0.18 1.12 -0.40 0.00 -1.81 0.00 0.00 57.70 56.43 2dm0 n MET 107 Cb 0.53 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2dm0 n MET 107 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2dm0 s THR 108 N -5.68 2.24 0.41 2.03 2.01 -1.26 -4.88 115.64 110.52 2dm0 s THR 108 Ca -0.10 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2dm0 s THR 108 Cb 0.15 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 2dm0 s THR 108 CO 0.52 0.04 0.02 0.00 -0.69 0.00 0.00 174.62 174.51 2dm0 s ARG 109 N -2.27 1.94 -0.62 4.92 1.04 -1.26 -4.88 118.95 117.81 2dm0 s ARG 109 Ca 0.57 -2.12 -0.26 0.00 -1.04 0.00 0.00 55.73 52.88 2dm0 s ARG 109 Cb -0.43 -1.41 0.04 0.00 -2.04 0.00 0.00 34.95 31.11 2dm0 s ARG 109 CO 0.56 -0.15 1.12 -0.51 -0.04 0.00 0.00 175.30 176.27 2dm0 s LEU 110 N -3.69 3.68 0.00 -1.89 1.43 -1.25 -4.55 118.68 112.41 2dm0 s LEU 110 Ca 0.30 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2dm0 s LEU 110 Cb 0.08 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2dm0 s LEU 110 CO 0.15 -1.50 0.00 -2.11 0.23 0.00 0.00 176.35 173.12 2dm0 n ARG 111 N 8.31 3.12 -3.57 1.70 1.85 -1.25 -4.65 116.66 122.18 2dm0 n ARG 111 Ca 0.04 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.50 2dm0 n ARG 111 Cb 0.48 -0.96 -0.05 0.00 -1.05 0.00 0.00 32.46 30.88 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 -1.92 3.89 -1.19 2.89 2.02 -1.20 -4.97 117.35 116.87 2dm0 s TYR 112 Ca 0.00 -2.85 -0.23 0.00 -0.37 0.00 0.00 57.07 53.62 2dm0 s TYR 112 Cb 0.00 -3.39 -0.09 0.00 -0.40 0.00 0.00 41.96 38.08 2dm0 s TYR 112 CO 0.00 -0.81 1.93 -0.35 -1.57 0.00 0.00 175.55 174.75 2dm0 n PRO 113 N 2.67 1.61 -1.57 -1.71 -0.04 -1.26 -1.54 135.00 133.16 2dm0 n PRO 113 Ca 0.19 -2.47 -0.56 0.00 -0.04 0.00 0.00 63.50 60.62 2dm0 n PRO 113 Cb 0.38 -3.73 -0.08 0.00 -0.04 0.00 0.00 33.50 30.03 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 7.79 0.21 -3.24 0.52 0.31 -1.16 -4.77 118.33 117.99 2dm0 n VAL 114 Ca 0.45 -0.11 -0.31 0.00 -0.01 0.00 0.00 64.34 64.37 2dm0 n VAL 114 Cb 0.46 -1.21 -0.04 0.00 -0.91 0.00 0.00 33.84 32.14 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 5.03 2.10 0.09 2.92 0.00 -1.26 -4.20 107.32 111.99 2dm0 s GLY 115 Ca 1.05 -0.29 -0.17 0.00 0.00 0.00 0.00 44.72 45.31 2dm0 s GLY 115 CO 0.62 -0.14 1.02 1.04 0.00 0.00 0.00 173.10 175.64 2dm0 n LEU 116 N -0.62 -0.59 -0.13 0.66 4.32 -1.23 -0.78 117.00 118.62 2dm0 n LEU 116 Ca 0.01 1.16 -0.03 0.00 -0.02 0.00 0.00 56.01 57.12 2dm0 n LEU 116 Cb 0.53 -0.21 -0.03 0.00 -1.62 0.00 0.00 43.42 42.09 2dm0 n LEU 116 CO 0.46 -0.89 0.39 0.23 -1.22 0.00 0.00 177.39 176.36 2dm0 n MET 117 N -4.40 -0.14 -0.11 3.23 2.81 -1.26 -4.83 117.12 112.42 2dm0 n MET 117 Ca 0.01 0.95 0.02 0.00 -1.81 0.00 0.00 57.70 56.87 2dm0 n MET 117 Cb 0.14 -1.41 -0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2dm0 n MET 117 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dm0 n GLY 118 N -1.08 -0.33 4.05 3.03 0.00 0.04 -4.52 105.19 106.38 2dm0 n GLY 118 Ca 0.01 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2dm0 n GLY 118 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dm0 n SER 119 N -3.91 -2.58 -1.80 1.61 3.41 -1.26 -0.00 113.62 109.08 2dm0 n SER 119 Ca 0.00 -0.95 -0.04 0.00 -0.26 0.00 0.00 58.87 57.62 2dm0 n SER 119 Cb 0.05 -3.14 -0.01 0.00 -0.26 0.00 0.00 64.21 60.85 2dm0 n SER 119 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dm0 n SER 120 N -2.81 -1.40 -4.70 4.04 2.88 -1.26 -4.73 113.62 105.64 2dm0 n SER 120 Ca -0.07 0.25 -0.60 0.00 -1.33 0.00 0.00 58.87 57.12 2dm0 n SER 120 Cb 0.57 -1.46 -0.08 0.00 -0.75 0.00 0.00 64.21 62.49 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 -0.33 0.52 0.00 0.46 0.00 0.10 -4.77 105.19 101.18 2dm0 n GLY 121 Ca -0.04 0.92 0.03 0.00 0.00 0.00 0.00 46.02 46.93 2dm0 n GLY 121 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm0 n PRO 122 N 4.36 0.48 -3.90 1.61 -0.04 -1.26 -4.83 135.00 131.43 2dm0 n PRO 122 Ca 0.27 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.44 2dm0 n PRO 122 Cb 0.07 -1.20 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 2dm0 n PRO 122 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dm0 n SER 123 N -0.70 -3.53 -4.87 3.54 3.41 -1.26 -4.96 113.62 105.24 2dm0 n SER 123 Ca 0.05 -0.83 -0.30 0.00 -0.26 0.00 0.00 58.87 57.53 2dm0 n SER 123 Cb 0.02 -3.76 -0.05 0.00 -0.26 0.00 0.00 64.21 60.17 2dm0 n SER 123 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dm0 s SER 124 N -3.62 6.04 0.00 4.04 1.04 -1.26 -5.27 113.70 114.67 2dm0 s SER 124 Ca 0.48 0.14 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2dm0 s SER 124 Cb -0.24 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.11 2dm0 s SER 124 CO 0.84 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.82