#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm0 s SER 2 N 0.00 4.86 -1.76 1.61 0.01 -1.26 -4.84 113.70 112.32 2dm0 s SER 2 Ca 0.00 -3.70 -0.18 0.00 1.31 0.00 0.00 55.95 53.37 2dm0 s SER 2 Cb 0.00 -1.67 0.18 0.00 0.21 0.00 0.00 66.02 64.75 2dm0 s SER 2 CO 0.00 -0.12 0.45 -0.24 0.41 0.00 0.00 173.24 173.75 2dm0 n SER 3 N 2.20 -1.18 -3.59 2.44 2.88 -1.26 -4.84 113.62 110.26 2dm0 n SER 3 Ca 0.17 -1.22 -0.30 0.00 -1.33 0.00 0.00 58.87 56.20 2dm0 n SER 3 Cb 0.35 -1.55 -0.07 0.00 -0.75 0.00 0.00 64.21 62.19 2dm0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm0 n GLY 4 N -1.37 4.75 0.06 0.46 0.00 -1.26 -4.87 105.19 102.97 2dm0 n GLY 4 Ca 0.02 -2.74 -0.07 0.00 0.00 0.00 0.00 46.02 43.24 2dm0 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dm0 h SER 5 N 4.57 0.00 -3.21 1.61 0.02 -2.02 -3.48 113.55 111.05 2dm0 h SER 5 Ca 0.19 -0.32 -0.64 0.00 -0.84 0.00 0.00 61.79 60.18 2dm0 h SER 5 Cb 0.67 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.08 2dm0 h SER 5 CO 0.90 0.78 -0.69 -0.55 -1.14 0.00 0.00 176.83 176.13 2dm0 s SER 6 N -5.90 4.68 0.00 3.07 0.15 -1.26 -5.10 113.70 109.34 2dm0 s SER 6 Ca -0.11 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2dm0 s SER 6 Cb 0.00 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 2dm0 s SER 6 CO 0.29 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.47 2dm0 n GLY 7 N 0.31 2.97 3.75 9.45 0.00 -1.26 -5.19 105.19 115.21 2dm0 n GLY 7 Ca -0.11 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.05 -0.22 1.61 3.84 -1.26 -5.18 114.94 113.68 2dm0 s ASN 8 Ca 0.00 -0.90 -0.28 0.00 0.21 0.00 0.00 52.86 51.89 2dm0 s ASN 8 Cb 0.00 0.72 0.13 0.00 -0.55 0.00 0.00 41.25 41.55 2dm0 s ASN 8 CO 0.00 -1.38 1.07 -0.75 -2.79 0.00 0.00 177.10 173.25 2dm0 s LYS 9 N -3.47 0.49 0.56 0.43 2.47 -1.26 -5.15 119.74 113.80 2dm0 s LYS 9 Ca 0.17 0.30 -0.18 0.00 -1.56 0.00 0.00 55.97 54.69 2dm0 s LYS 9 Cb -0.04 0.23 -0.09 0.00 -1.46 0.00 0.00 37.83 36.48 2dm0 s LYS 9 CO 0.10 -0.11 0.57 -0.89 0.16 0.00 0.00 175.35 175.18 2dm0 n ILE 10 N 1.33 2.35 -0.12 5.43 5.41 -1.26 -4.95 119.36 127.54 2dm0 n ILE 10 Ca -0.10 -0.50 -0.25 0.00 1.00 0.00 0.00 62.75 62.89 2dm0 n ILE 10 Cb 0.57 -0.72 -0.10 0.00 -0.71 0.00 0.00 39.64 38.68 2dm0 n ILE 10 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2dm0 n THR 11 N -1.61 1.53 -3.84 1.39 -2.24 -1.26 -5.01 114.28 103.24 2dm0 n THR 11 Ca 0.12 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 2dm0 n THR 11 Cb 0.47 -1.98 0.01 0.00 -2.10 0.00 0.00 70.33 66.73 2dm0 n THR 11 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2dm0 n ASN 12 N -4.34 -2.71 0.26 3.42 6.94 -1.26 -4.84 115.26 112.72 2dm0 n ASN 12 Ca -0.43 -1.03 0.15 0.00 -0.02 0.00 0.00 54.58 53.25 2dm0 n ASN 12 Cb 0.77 -3.13 0.55 0.00 -2.36 0.00 0.00 39.78 35.62 2dm0 n ASN 12 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2dm0 h LEU 13 N -1.92 0.00 -1.39 -4.53 3.38 -1.98 -3.16 115.31 105.72 2dm0 h LEU 13 Ca -0.65 0.00 0.31 0.00 0.09 0.00 0.00 57.88 57.63 2dm0 h LEU 13 Cb 1.37 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.02 2dm0 h LEU 13 CO 0.55 0.04 0.72 1.05 0.09 0.00 0.00 178.44 180.90 2dm0 h GLU 14 N 0.00 0.29 -0.83 1.13 4.11 -1.89 0.50 114.58 117.90 2dm0 h GLU 14 Ca -0.00 -0.02 0.20 0.00 0.07 0.00 0.00 59.36 59.61 2dm0 h GLU 14 Cb 0.64 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2dm0 h GLU 14 CO 0.01 0.19 0.56 -0.84 0.07 0.00 0.00 179.01 179.00 2dm0 h ILE 15 N 0.30 0.68 -3.43 -1.06 3.07 -1.93 -3.42 117.51 111.73 2dm0 h ILE 15 Ca 0.65 -0.10 -0.35 0.00 1.55 0.00 0.00 64.86 66.61 2dm0 h ILE 15 Cb 1.80 0.38 0.15 0.00 -0.27 0.00 0.00 36.82 38.88 2dm0 h ILE 15 CO -0.33 0.05 0.29 -1.22 -1.05 0.00 0.00 178.15 175.89 2dm0 n TYR 16 N -4.44 -3.94 -0.02 0.16 4.01 0.18 -5.04 117.16 108.07 2dm0 n TYR 16 Ca 0.17 -0.95 -0.02 0.00 -0.16 0.00 0.00 57.90 56.94 2dm0 n TYR 16 Cb 0.71 -0.88 -0.02 0.00 -0.31 0.00 0.00 39.34 38.84 2dm0 n TYR 16 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2dm0 n GLU 17 N -3.60 1.31 0.00 -0.72 0.28 -1.26 -4.57 120.64 112.08 2dm0 n GLU 17 Ca 0.14 0.01 0.06 0.00 -0.16 0.00 0.00 57.16 57.21 2dm0 n GLU 17 Cb 0.49 -1.08 0.35 0.00 1.43 0.00 0.00 31.44 32.63 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 -2.44 0.00 -3.22 -1.84 4.27 -1.25 -0.85 117.44 112.10 2dm0 n TRP 18 Ca -0.07 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.08 2dm0 n TRP 18 Cb 0.59 -0.11 -0.02 0.00 -1.36 0.00 0.00 31.31 30.40 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 -2.23 3.63 -0.56 -2.67 5.04 -1.26 -1.38 117.35 117.91 2dm0 s TYR 19 Ca 0.16 -1.88 -0.27 0.00 -2.44 0.00 0.00 57.07 52.64 2dm0 s TYR 19 Cb 0.09 -3.94 0.03 0.00 0.35 0.00 0.00 41.96 38.49 2dm0 s TYR 19 CO 0.16 -1.12 1.09 -1.01 -1.34 0.00 0.00 175.55 173.34 2dm0 s HIS 20 N 0.74 2.70 0.18 4.97 3.76 -0.96 -4.87 115.29 121.81 2dm0 s HIS 20 Ca 0.23 0.29 0.07 0.00 -0.15 0.00 0.00 55.06 55.49 2dm0 s HIS 20 Cb -0.09 -4.33 -0.04 0.00 1.11 0.00 0.00 32.58 29.23 2dm0 s HIS 20 CO -0.09 -1.46 0.05 -0.98 -0.85 0.00 0.00 174.74 171.41 2dm0 s ARG 21 N 4.52 2.59 -0.46 1.40 1.70 -1.26 -4.17 118.95 123.27 2dm0 s ARG 21 Ca 0.39 -1.04 -0.03 0.00 -0.47 0.00 0.00 55.73 54.58 2dm0 s ARG 21 Cb -0.09 -2.45 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 2dm0 s ARG 21 CO 0.24 0.46 0.40 -1.71 -1.08 0.00 0.00 175.30 173.61 2dm0 n ASN 22 N -0.27 -3.44 -3.91 -2.89 2.85 -1.26 -5.05 115.26 101.29 2dm0 n ASN 22 Ca -0.09 -0.18 -0.24 0.00 -0.11 0.00 0.00 54.58 53.96 2dm0 n ASN 22 Cb 0.55 -2.03 -0.08 0.00 1.24 0.00 0.00 39.78 39.46 2dm0 n ASN 22 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2dm0 s ILE 23 N -3.11 0.41 0.19 -1.44 -4.36 -1.26 -5.16 121.20 106.47 2dm0 s ILE 23 Ca 0.19 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 2dm0 s ILE 23 Cb -0.09 -2.39 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 2dm0 s ILE 23 CO 0.25 0.00 -0.00 0.28 0.24 0.00 0.00 174.94 175.70 2dm0 s THR 24 N -3.30 0.78 0.19 8.37 -1.32 -1.26 -4.88 115.64 114.22 2dm0 s THR 24 Ca 0.29 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 58.63 2dm0 s THR 24 Cb 0.03 -2.17 0.21 0.00 -1.51 0.00 0.00 72.50 69.05 2dm0 s THR 24 CO 0.18 -0.44 1.28 -1.14 -2.21 0.00 0.00 174.62 172.29 2dm0 n ARG 25 N -0.29 -0.19 -0.11 7.08 0.63 -1.26 0.76 116.66 123.28 2dm0 n ARG 25 Ca -0.06 1.27 -0.05 0.00 -0.92 0.00 0.00 57.85 58.09 2dm0 n ARG 25 Cb 0.63 -1.89 0.01 0.00 0.45 0.00 0.00 32.46 31.66 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 -0.54 0.57 6.15 -1.24 -2.00 -2.00 115.58 116.53 2dm0 h ASN 26 Ca 0.29 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.42 2dm0 h ASN 26 Cb 0.50 0.31 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 2dm0 h ASN 26 CO -0.82 -0.19 -0.41 1.56 -1.29 0.00 0.00 177.43 176.28 2dm0 h GLN 27 N -0.08 -0.91 -0.94 6.67 1.08 -0.05 0.15 115.11 121.04 2dm0 h GLN 27 Ca 0.19 0.06 0.21 0.00 -1.45 0.00 0.00 58.65 57.66 2dm0 h GLN 27 Cb 0.37 0.21 -0.18 0.00 -0.05 0.00 0.00 27.48 27.83 2dm0 h GLN 27 CO -0.45 -0.61 -0.15 0.00 -0.95 0.00 0.00 178.83 176.68 2dm0 h ALA 28 N -0.67 0.78 0.41 3.87 0.00 -0.73 0.32 119.26 123.24 2dm0 h ALA 28 Ca -0.07 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2dm0 h ALA 28 Cb 0.79 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2dm0 h ALA 28 CO 0.03 -0.44 -0.20 0.93 0.00 0.00 0.00 179.25 179.58 2dm0 h GLU 29 N 0.01 -0.53 -0.39 0.00 5.08 -1.08 -3.15 114.58 114.52 2dm0 h GLU 29 Ca 0.49 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.93 2dm0 h GLU 29 Cb 0.83 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.12 2dm0 h GLU 29 CO -0.93 -0.24 -0.56 1.25 -1.00 0.00 0.00 179.01 177.53 2dm0 h HIS 30 N -1.01 -1.70 -0.96 4.33 2.76 0.51 0.11 115.15 119.18 2dm0 h HIS 30 Ca -0.06 0.08 0.25 0.00 -2.20 0.00 0.00 60.37 58.44 2dm0 h HIS 30 Cb 0.54 0.79 -0.18 0.00 1.55 0.00 0.00 27.41 30.12 2dm0 h HIS 30 CO 0.02 -0.49 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.07 2dm0 h LEU 31 N -0.41 -0.54 -0.23 0.26 3.38 -0.53 0.41 115.31 117.66 2dm0 h LEU 31 Ca 0.07 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 2dm0 h LEU 31 Cb 0.60 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2dm0 h LEU 31 CO -0.59 -0.33 -0.02 -0.07 0.09 0.00 0.00 178.44 177.52 2dm0 h LEU 32 N 0.02 0.41 -0.95 1.67 3.38 -0.98 -3.06 115.31 115.80 2dm0 h LEU 32 Ca 0.56 -0.34 0.30 0.00 0.09 0.00 0.00 57.88 58.49 2dm0 h LEU 32 Cb 1.09 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.57 2dm0 h LEU 32 CO -0.91 0.65 0.32 0.03 0.09 0.00 0.00 178.44 178.62 2dm0 h ARG 33 N 0.17 0.15 -0.65 1.13 2.47 0.22 0.59 114.38 118.44 2dm0 h ARG 33 Ca 0.06 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.83 2dm0 h ARG 33 Cb 0.45 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.68 2dm0 h ARG 33 CO 0.02 0.10 0.35 1.96 0.56 0.00 0.00 179.97 182.96 2dm0 h GLN 34 N 0.15 0.63 0.39 0.04 4.20 -1.32 -2.79 115.11 116.40 2dm0 h GLN 34 Ca 0.66 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.31 2dm0 h GLN 34 Cb 1.48 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.12 2dm0 h GLN 34 CO -0.72 0.42 -0.19 0.93 -0.67 0.00 0.00 178.83 178.60 2dm0 h GLU 35 N 0.65 -0.50 -6.13 1.46 4.39 0.08 -3.47 114.58 111.06 2dm0 h GLU 35 Ca 0.30 0.03 -0.42 0.00 0.34 0.00 0.00 59.36 59.61 2dm0 h GLU 35 Cb 0.20 0.11 0.05 0.00 -0.10 0.00 0.00 28.75 29.02 2dm0 h GLU 35 CO -0.19 -0.28 -0.86 -1.13 -1.16 0.00 0.00 179.01 175.39 2dm0 n SER 36 N -5.28 -2.00 -3.62 1.42 3.41 -0.83 -4.99 113.62 101.74 2dm0 n SER 36 Ca -0.11 -0.87 -0.04 0.00 -0.26 0.00 0.00 58.87 57.59 2dm0 n SER 36 Cb 0.25 -3.87 -0.06 0.00 -0.26 0.00 0.00 64.21 60.26 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 -5.96 0.47 -0.42 4.33 -2.85 -1.26 -5.03 119.74 109.01 2dm0 s LYS 37 Ca 0.10 1.24 -0.44 0.00 -1.00 0.00 0.00 55.97 55.88 2dm0 s LYS 37 Cb -0.03 0.61 -0.18 0.00 -2.06 0.00 0.00 37.83 36.17 2dm0 s LYS 37 CO 0.83 -0.25 1.76 -1.91 0.10 0.00 0.00 175.35 175.88 2dm0 n GLU 38 N 5.42 0.44 0.00 1.78 2.13 -1.25 -2.33 120.64 126.82 2dm0 n GLU 38 Ca -0.10 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2dm0 n GLU 38 Cb 0.49 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.45 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 4.73 3.18 3.54 8.31 0.00 -1.23 -4.78 105.19 118.94 2dm0 n GLY 39 Ca 0.34 -0.56 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 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 0.98 -2.48 4.61 0.00 -0.99 -3.22 120.51 119.41 2dm0 n ALA 40 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 2dm0 n ALA 40 Cb 0.00 -2.54 -0.11 0.00 0.00 0.00 0.00 19.45 16.80 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 6.41 1.02 0.17 0.00 -0.71 -1.05 -0.03 117.98 123.79 2dm0 s PHE 41 Ca 1.04 -0.66 -0.12 0.00 -1.04 0.00 0.00 56.93 56.15 2dm0 s PHE 41 Cb -0.79 -0.56 0.01 0.00 -1.21 0.00 0.00 43.02 40.46 2dm0 s PHE 41 CO 0.50 -0.02 0.37 0.96 -1.34 0.00 0.00 175.22 175.69 2dm0 s ILE 42 N -2.46 0.05 -0.28 -4.49 -4.36 -0.99 -3.16 121.20 105.52 2dm0 s ILE 42 Ca 0.05 -1.15 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 2dm0 s ILE 42 Cb -0.03 -1.72 0.08 0.00 1.25 0.00 0.00 42.46 42.04 2dm0 s ILE 42 CO -0.00 -0.24 -0.02 -0.69 0.24 0.00 0.00 174.94 174.22 2dm0 s VAL 43 N -3.93 1.92 0.27 8.37 1.01 -0.48 -1.60 120.40 125.97 2dm0 s VAL 43 Ca 0.14 -1.74 0.06 0.00 0.00 0.00 0.00 61.98 60.43 2dm0 s VAL 43 Cb 0.02 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2dm0 s VAL 43 CO -0.02 -0.30 0.34 0.00 0.00 0.00 0.00 175.10 175.13 2dm0 s ARG 44 N 1.16 3.18 0.03 2.72 1.70 0.24 -2.26 118.95 125.72 2dm0 s ARG 44 Ca 0.00 -0.94 -0.13 0.00 -0.47 0.00 0.00 55.73 54.20 2dm0 s ARG 44 Cb -0.19 -2.76 -0.06 0.00 -0.57 0.00 0.00 34.95 31.37 2dm0 s ARG 44 CO -0.08 0.31 0.41 -0.51 -1.08 0.00 0.00 175.30 174.35 2dm0 s ASP 45 N -3.99 6.74 -1.20 -2.89 1.11 -1.26 -0.90 116.67 114.28 2dm0 s ASP 45 Ca 0.37 0.90 -0.11 0.00 0.18 0.00 0.00 52.55 53.89 2dm0 s ASP 45 Cb -0.09 -2.22 0.20 0.00 1.07 0.00 0.00 42.92 41.89 2dm0 s ASP 45 CO 0.28 0.26 1.52 -1.20 1.18 0.00 0.00 175.17 177.21 2dm0 n SER 46 N 1.43 5.37 -0.46 0.27 7.64 -0.32 -4.84 113.62 122.71 2dm0 n SER 46 Ca -0.11 -3.08 0.37 0.00 1.01 0.00 0.00 58.87 57.06 2dm0 n SER 46 Cb 0.52 -1.48 0.58 0.00 -1.01 0.00 0.00 64.21 62.83 2dm0 n SER 46 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2dm0 n ARG 47 N 4.16 -0.01 -0.02 1.43 -4.01 -1.26 0.10 116.66 117.05 2dm0 n ARG 47 Ca 0.34 0.89 -0.09 0.00 -1.04 0.00 0.00 57.85 57.96 2dm0 n ARG 47 Cb 0.39 -1.91 -0.02 0.00 -3.04 0.00 0.00 32.46 27.87 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 2dm0 h HIS 48 N 0.00 -0.54 -4.37 2.89 2.76 -1.94 -3.45 115.15 110.49 2dm0 h HIS 48 Ca 0.70 0.03 -0.45 0.00 -2.20 0.00 0.00 60.37 58.46 2dm0 h HIS 48 Cb 2.58 0.26 -0.14 0.00 1.55 0.00 0.00 27.41 31.67 2dm0 h HIS 48 CO -0.00 -0.28 -0.52 -1.17 -1.30 0.00 0.00 177.93 174.65 2dm0 s LEU 49 N -10.46 1.70 0.00 0.26 2.96 0.29 -5.02 118.68 108.41 2dm0 s LEU 49 Ca -0.15 -1.67 -0.03 0.00 -0.22 0.00 0.00 54.13 52.07 2dm0 s LEU 49 Cb 0.11 0.38 -0.12 0.00 0.50 0.00 0.00 46.19 47.06 2dm0 s LEU 49 CO 0.68 -0.99 2.32 0.61 -1.32 0.00 0.00 176.35 177.65 2dm0 n GLY 50 N -0.62 2.33 2.83 7.98 0.00 -1.26 -4.37 105.19 112.08 2dm0 n GLY 50 Ca 0.04 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 2.18 2.25 -4.31 1.61 7.64 -1.26 -5.04 113.62 116.69 2dm0 n SER 51 Ca 0.19 -2.78 -0.18 0.00 1.01 0.00 0.00 58.87 57.11 2dm0 n SER 51 Cb 0.57 0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 64.20 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 -2.62 1.63 -0.04 1.43 1.51 -1.25 -1.17 117.35 116.84 2dm0 s TYR 52 Ca 0.08 -1.16 -0.09 0.00 -1.01 0.00 0.00 57.07 54.88 2dm0 s TYR 52 Cb 0.00 -0.97 0.01 0.00 -0.11 0.00 0.00 41.96 40.90 2dm0 s TYR 52 CO 0.05 -0.29 0.21 0.99 -1.11 0.00 0.00 175.55 175.41 2dm0 s THR 53 N -3.65 0.05 -0.08 -0.71 2.01 -0.08 0.26 115.64 113.43 2dm0 s THR 53 Ca 0.37 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 2dm0 s THR 53 Cb 0.08 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 2dm0 s THR 53 CO 0.14 -0.21 0.03 -0.63 -0.69 0.00 0.00 174.62 173.27 2dm0 s ILE 54 N -0.79 4.56 -0.32 1.82 1.01 0.49 -0.59 121.20 127.37 2dm0 s ILE 54 Ca -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.39 2dm0 s ILE 54 Cb -0.05 -2.95 0.10 0.00 0.01 0.00 0.00 42.46 39.57 2dm0 s ILE 54 CO 0.02 0.58 0.06 -0.44 0.00 0.00 0.00 174.94 175.15 2dm0 s SER 55 N -1.00 4.46 0.03 3.58 0.01 -0.62 -0.67 113.70 119.49 2dm0 s SER 55 Ca 0.15 -1.91 0.00 0.00 1.31 0.00 0.00 55.95 55.49 2dm0 s SER 55 Cb -0.11 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 2dm0 s SER 55 CO 0.04 -0.38 0.13 -0.69 0.41 0.00 0.00 173.24 172.75 2dm0 s VAL 56 N 1.17 4.99 -0.69 3.43 1.01 -1.10 -2.34 120.40 126.88 2dm0 s VAL 56 Ca 0.09 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2dm0 s VAL 56 Cb -0.18 -3.37 0.13 0.00 0.00 0.00 0.00 36.38 32.96 2dm0 s VAL 56 CO -0.14 0.23 0.77 0.12 0.00 0.00 0.00 175.10 176.09 2dm0 s PHE 57 N -1.35 3.19 0.09 5.22 5.36 0.95 -1.82 117.98 129.62 2dm0 s PHE 57 Ca 0.29 -1.26 -0.23 0.00 -0.96 0.00 0.00 56.93 54.76 2dm0 s PHE 57 Cb -0.12 -4.01 -0.13 0.00 -0.34 0.00 0.00 43.02 38.42 2dm0 s PHE 57 CO 0.21 -1.25 1.73 0.52 -1.46 0.00 0.00 175.22 174.96 2dm0 h MET 58 N 8.83 -0.06 0.00 10.12 2.86 -0.32 -3.26 114.93 133.11 2dm0 h MET 58 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2dm0 h MET 58 Cb 1.07 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2dm0 h MET 58 CO 1.03 -0.04 0.00 0.41 1.06 0.00 0.00 176.91 179.37 2dm0 n GLY 59 N -1.13 3.76 3.44 8.32 0.00 -1.09 -4.41 105.19 114.07 2dm0 n GLY 59 Ca -0.07 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.63 3.91 -0.06 4.61 0.00 -1.26 -3.70 120.51 123.37 2dm0 n ALA 60 Ca 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 53.44 49.47 2dm0 n ALA 60 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 19.45 15.96 2dm0 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm0 h ARG 61 N 7.24 0.00 -7.19 0.00 2.47 -1.85 -3.46 114.38 111.59 2dm0 h ARG 61 Ca 0.44 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.65 2dm0 h ARG 61 Cb 0.83 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 29.27 2dm0 h ARG 61 CO 1.48 0.01 0.38 0.50 0.56 0.00 0.00 179.97 182.89 2dm0 s ARG 62 N -1.93 2.69 0.20 0.04 3.00 -1.26 -4.83 118.95 116.85 2dm0 s ARG 62 Ca -0.08 1.46 0.10 0.00 -1.00 0.00 0.00 55.73 56.21 2dm0 s ARG 62 Cb 0.01 -1.93 0.68 0.00 0.00 0.00 0.00 34.95 33.71 2dm0 s ARG 62 CO 0.12 -1.35 0.87 0.45 0.00 0.00 0.00 175.30 175.39 2dm0 n SER 63 N -2.45 0.14 -3.77 -2.12 2.88 -1.26 -4.37 113.62 102.67 2dm0 n SER 63 Ca 0.11 0.92 -0.22 0.00 -1.33 0.00 0.00 58.87 58.35 2dm0 n SER 63 Cb 0.52 -0.43 0.14 0.00 -0.75 0.00 0.00 64.21 63.69 2dm0 n SER 63 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2dm0 n THR 64 N -4.33 0.00 -2.06 2.46 -2.24 -1.26 -5.01 114.28 101.84 2dm0 n THR 64 Ca 0.19 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.77 2dm0 n THR 64 Cb 0.66 -0.47 0.07 0.00 -2.10 0.00 0.00 70.33 68.48 2dm0 n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dm0 n GLU 65 N -1.46 -0.02 -0.92 -0.78 1.02 -1.26 -4.71 120.64 112.50 2dm0 n GLU 65 Ca 0.04 -1.13 -0.31 0.00 -0.02 0.00 0.00 57.16 55.74 2dm0 n GLU 65 Cb 0.43 -0.41 0.02 0.00 -0.02 0.00 0.00 31.44 31.45 2dm0 n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm0 n ALA 66 N -3.11 -3.88 -3.74 0.62 0.00 -1.26 -4.47 120.51 104.66 2dm0 n ALA 66 Ca -0.08 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.76 2dm0 n ALA 66 Cb 0.27 -1.05 -0.17 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.64 1.78 -0.07 0.00 0.00 -1.24 -4.77 121.76 115.82 2dm0 s ALA 67 Ca 0.40 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2dm0 s ALA 67 Cb -0.28 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 21.96 2dm0 s ALA 67 CO 0.61 -0.14 -0.09 0.42 0.00 0.00 0.00 175.76 176.56 2dm0 s ILE 68 N 1.08 0.94 0.17 0.00 1.01 -1.26 0.47 121.20 123.61 2dm0 s ILE 68 Ca -0.04 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.31 2dm0 s ILE 68 Cb -0.14 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2dm0 s ILE 68 CO -0.04 0.32 0.24 -0.54 0.00 0.00 0.00 174.94 174.92 2dm0 s LYS 69 N 0.92 3.25 -0.27 2.79 3.01 -0.76 -4.96 119.74 123.73 2dm0 s LYS 69 Ca -0.10 -0.72 0.01 0.00 -1.01 0.00 0.00 55.97 54.15 2dm0 s LYS 69 Cb -0.15 -2.84 0.08 0.00 -1.01 0.00 0.00 37.83 33.91 2dm0 s LYS 69 CO 0.01 0.50 -0.00 -1.01 0.51 0.00 0.00 175.35 175.35 2dm0 s HIS 70 N -1.79 2.51 -0.50 3.18 3.76 -1.25 -2.69 115.29 118.50 2dm0 s HIS 70 Ca 0.33 -1.98 -0.16 0.00 -0.15 0.00 0.00 55.06 53.10 2dm0 s HIS 70 Cb -0.10 -1.85 0.09 0.00 1.11 0.00 0.00 32.58 31.82 2dm0 s HIS 70 CO 0.27 -0.83 0.49 0.71 -0.85 0.00 0.00 174.74 174.53 2dm0 s TYR 71 N 1.35 3.19 -0.17 1.40 2.02 0.16 -4.88 117.35 120.42 2dm0 s TYR 71 Ca 0.00 -0.95 -0.29 0.00 -0.37 0.00 0.00 57.07 55.46 2dm0 s TYR 71 Cb -0.19 -3.46 -0.02 0.00 -0.40 0.00 0.00 41.96 37.90 2dm0 s TYR 71 CO -0.10 -0.93 1.29 -1.14 -1.57 0.00 0.00 175.55 173.10 2dm0 s GLN 72 N 1.89 4.20 -0.74 -0.62 0.74 -1.26 -0.38 119.66 123.49 2dm0 s GLN 72 Ca 0.06 1.66 -0.27 0.00 0.05 0.00 0.00 55.36 56.87 2dm0 s GLN 72 Cb -0.25 -3.79 0.03 0.00 1.10 0.00 0.00 33.01 30.10 2dm0 s GLN 72 CO 0.07 -0.76 1.26 0.42 -0.55 0.00 0.00 175.29 175.73 2dm0 s ILE 73 N 3.63 3.76 0.61 -2.34 1.01 0.14 -4.81 121.20 123.20 2dm0 s ILE 73 Ca 0.56 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.63 2dm0 s ILE 73 Cb -0.22 -4.91 0.10 0.00 0.01 0.00 0.00 42.46 37.44 2dm0 s ILE 73 CO 0.16 -1.84 0.84 -0.54 0.00 0.00 0.00 174.94 173.57 2dm0 s LYS 74 N 5.63 2.15 -0.13 2.79 1.02 -1.13 -3.88 119.74 126.20 2dm0 s LYS 74 Ca 0.34 -1.49 -0.00 0.00 0.02 0.00 0.00 55.97 54.84 2dm0 s LYS 74 Cb -0.08 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 2dm0 s LYS 74 CO 0.15 -1.00 -0.12 0.21 -0.92 0.00 0.00 175.35 173.67 2dm0 s LYS 75 N -4.79 3.36 0.46 1.68 2.20 -1.26 -1.91 119.74 119.48 2dm0 s LYS 75 Ca 0.63 -0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 55.52 2dm0 s LYS 75 Cb -0.06 -2.66 0.10 0.00 -1.51 0.00 0.00 37.83 33.71 2dm0 s LYS 75 CO 0.40 0.26 0.63 0.27 -0.36 0.00 0.00 175.35 176.55 2dm0 n ASN 76 N 3.41 0.17 0.18 1.43 0.23 -0.39 -4.87 115.26 115.42 2dm0 n ASN 76 Ca -0.18 -1.31 0.06 0.00 -0.53 0.00 0.00 54.58 52.62 2dm0 n ASN 76 Cb 0.53 -0.47 0.54 0.00 -2.08 0.00 0.00 39.78 38.29 2dm0 n ASN 76 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2dm0 h ASP 77 N -0.76 0.13 0.00 0.53 3.32 -2.00 -0.64 116.42 117.00 2dm0 h ASP 77 Ca -0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2dm0 h ASP 77 Cb 0.60 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2dm0 h ASP 77 CO 0.16 0.16 0.00 -1.20 -1.72 0.00 0.00 179.24 176.63 2dm0 n SER 78 N -4.45 0.32 -3.06 6.45 7.64 -1.26 -4.83 113.62 114.43 2dm0 n SER 78 Ca -0.01 -1.73 -0.21 0.00 1.01 0.00 0.00 58.87 57.92 2dm0 n SER 78 Cb 0.14 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.26 -0.50 3.47 0.23 0.00 -0.25 -4.97 105.19 103.43 2dm0 n GLY 79 Ca 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.72 1.67 0.31 1.61 -1.52 -1.26 -4.89 119.66 109.87 2dm0 s GLN 80 Ca 0.29 -1.75 -0.25 0.00 -1.95 0.00 0.00 55.36 51.70 2dm0 s GLN 80 Cb -0.14 -1.78 -0.10 0.00 -0.22 0.00 0.00 33.01 30.77 2dm0 s GLN 80 CO 0.36 0.33 0.91 -1.58 -0.25 0.00 0.00 175.29 175.06 2dm0 s TRP 81 N -2.45 3.67 0.06 0.91 0.52 -1.13 -1.26 118.94 119.26 2dm0 s TRP 81 Ca 0.29 1.71 -0.25 0.00 0.02 0.00 0.00 56.10 57.87 2dm0 s TRP 81 Cb -0.05 -2.87 0.06 0.00 -1.15 0.00 0.00 33.47 29.47 2dm0 s TRP 81 CO 0.15 0.22 0.60 1.52 0.02 0.00 0.00 176.95 179.46 2dm0 s TYR 82 N -1.62 -0.54 0.05 -1.98 -0.85 -0.80 -1.59 117.35 110.02 2dm0 s TYR 82 Ca 0.49 0.63 0.00 0.00 -0.52 0.00 0.00 57.07 57.67 2dm0 s TYR 82 Cb -0.18 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.60 2dm0 s TYR 82 CO 0.23 -0.71 0.00 0.28 -1.52 0.00 0.00 175.55 173.83 2dm0 n VAL 83 N 0.27 0.32 1.53 -3.49 0.31 -1.26 -2.82 118.33 113.19 2dm0 n VAL 83 Ca -0.18 0.11 0.09 0.00 -0.01 0.00 0.00 64.34 64.35 2dm0 n VAL 83 Cb 0.61 -1.25 0.56 0.00 -0.91 0.00 0.00 33.84 32.84 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 -3.09 2.37 -2.09 3.52 0.00 -1.26 -4.84 120.51 115.13 2dm0 n ALA 84 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 2dm0 n ALA 84 Cb 0.24 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.88 -1.68 0.00 0.00 1.02 -1.26 -4.71 120.64 113.12 2dm0 n GLU 85 Ca 0.14 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 2dm0 n GLU 85 Cb 0.06 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 25.99 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 -2.68 0.78 -4.93 3.49 5.12 -1.26 -5.07 116.66 112.11 2dm0 n ARG 86 Ca -0.21 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.43 2dm0 n ARG 86 Cb 0.64 -0.63 -0.17 0.00 -1.16 0.00 0.00 32.46 31.15 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 -1.25 2.07 0.40 -1.55 3.76 -1.26 -5.13 115.29 112.32 2dm0 s HIS 87 Ca 0.00 -0.83 0.08 0.00 -0.15 0.00 0.00 55.06 54.16 2dm0 s HIS 87 Cb 0.00 -1.43 -0.07 0.00 1.11 0.00 0.00 32.58 32.19 2dm0 s HIS 87 CO 0.00 -0.36 0.05 0.00 -0.85 0.00 0.00 174.74 173.58 2dm0 s ALA 88 N 0.49 3.26 0.22 -1.40 0.00 -1.26 -4.20 121.76 118.88 2dm0 s ALA 88 Ca -0.17 -2.20 -0.06 0.00 0.00 0.00 0.00 51.96 49.54 2dm0 s ALA 88 Cb -0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2dm0 s ALA 88 CO 0.07 -0.09 0.27 -0.06 0.00 0.00 0.00 175.76 175.95 2dm0 s PHE 89 N -2.65 0.83 -0.37 0.00 0.40 -0.62 -4.96 117.98 110.60 2dm0 s PHE 89 Ca 0.36 -1.11 0.23 0.00 -0.60 0.00 0.00 56.93 55.81 2dm0 s PHE 89 Cb 0.06 -0.25 -0.07 0.00 0.51 0.00 0.00 43.02 43.28 2dm0 s PHE 89 CO 0.19 -0.79 0.89 1.04 0.70 0.00 0.00 175.22 177.26 2dm0 n GLN 90 N -0.32 0.46 -4.02 0.44 6.02 -1.26 -2.83 117.38 115.87 2dm0 n GLN 90 Ca 0.01 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 2dm0 n GLN 90 Cb 0.64 -1.64 -0.12 0.00 1.02 0.00 0.00 30.24 30.14 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 -4.44 0.50 0.12 1.08 0.01 -1.26 -4.94 113.70 104.77 2dm0 s SER 91 Ca -0.00 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 56.66 2dm0 s SER 91 Cb 0.13 0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.33 2dm0 s SER 91 CO 0.83 -0.17 1.77 0.40 0.41 0.00 0.00 173.24 176.47 2dm0 h ILE 92 N 4.71 1.06 0.00 1.44 1.08 -1.99 -1.59 117.51 122.22 2dm0 h ILE 92 Ca -0.32 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2dm0 h ILE 92 Cb 1.20 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2dm0 h ILE 92 CO 0.43 0.05 0.00 -0.81 -0.69 0.00 0.00 178.15 177.14 2dm0 n PRO 93 N -4.95 0.50 -0.11 2.37 -0.04 -1.26 -2.66 135.00 128.85 2dm0 n PRO 93 Ca -0.03 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.24 2dm0 n PRO 93 Cb 0.03 -1.46 -0.12 0.00 -0.04 0.00 0.00 33.50 31.90 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 -0.96 0.67 -0.14 0.54 -0.58 -0.63 -3.47 120.64 116.06 2dm0 n GLU 94 Ca 0.11 0.17 0.08 0.00 -0.42 0.00 0.00 57.16 57.10 2dm0 n GLU 94 Cb 0.05 -1.55 0.41 0.00 -0.57 0.00 0.00 31.44 29.78 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 0.56 0.00 -4.62 6.46 -1.25 -0.77 115.31 115.69 2dm0 h LEU 95 Ca -0.56 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.20 2dm0 h LEU 95 Cb 1.92 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.74 2dm0 h LEU 95 CO -0.06 0.35 -0.80 0.40 -0.62 0.00 0.00 178.44 177.72 2dm0 h ILE 96 N 0.63 0.06 -0.69 4.05 1.08 -1.76 -3.21 117.51 117.67 2dm0 h ILE 96 Ca 0.30 -1.10 0.11 0.00 -0.39 0.00 0.00 64.86 63.78 2dm0 h ILE 96 Cb 0.34 1.67 -0.08 0.00 -3.07 0.00 0.00 36.82 35.68 2dm0 h ILE 96 CO -0.09 0.03 0.28 -0.25 -0.69 0.00 0.00 178.15 177.42 2dm0 h TRP 97 N 0.00 0.48 0.00 1.37 -0.00 -1.17 -1.99 115.95 114.64 2dm0 h TRP 97 Ca -0.01 0.03 -0.11 0.00 -0.00 0.00 0.00 58.89 58.80 2dm0 h TRP 97 Cb 1.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 30.08 2dm0 h TRP 97 CO 0.00 0.10 -0.65 1.88 -0.00 0.00 0.00 178.44 179.78 2dm0 h TYR 98 N 0.45 0.00 -1.45 2.65 -1.99 -1.69 -3.35 116.97 111.59 2dm0 h TYR 98 Ca 0.36 0.00 0.48 0.00 2.00 0.00 0.00 58.73 61.57 2dm0 h TYR 98 Cb 0.48 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.09 2dm0 h TYR 98 CO -0.16 1.01 0.96 0.72 -0.00 0.00 0.00 178.16 180.70 2dm0 n HIS 99 N -4.54 0.51 0.04 4.88 8.25 -1.18 0.54 115.22 123.72 2dm0 n HIS 99 Ca -0.19 0.52 -0.11 0.00 -0.26 0.00 0.00 57.72 57.68 2dm0 n HIS 99 Cb 0.50 -0.96 -0.04 0.00 1.12 0.00 0.00 29.99 30.61 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 -0.34 0.13 -0.41 1.08 -1.50 -3.20 115.11 110.87 2dm0 h GLN 100 Ca 0.85 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 58.07 2dm0 h GLN 100 Cb 2.91 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 30.42 2dm0 h GLN 100 CO -0.34 -0.23 -0.06 1.25 -0.95 0.00 0.00 178.83 178.50 2dm0 h HIS 101 N -0.35 -0.16 -2.91 2.96 2.76 -0.11 -3.41 115.15 113.92 2dm0 h HIS 101 Ca 0.07 -0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.60 2dm0 h HIS 101 Cb 0.45 0.05 -0.09 0.00 1.55 0.00 0.00 27.41 29.37 2dm0 h HIS 101 CO -0.29 0.28 -0.47 0.54 -1.30 0.00 0.00 177.93 176.69 2dm0 s ASN 102 N -5.56 6.34 -0.39 3.26 2.20 -0.54 -5.04 114.94 115.20 2dm0 s ASN 102 Ca -0.12 0.40 -0.28 0.00 -0.94 0.00 0.00 52.86 51.92 2dm0 s ASN 102 Cb -0.00 -2.09 0.02 0.00 -2.00 0.00 0.00 41.25 37.18 2dm0 s ASN 102 CO 0.43 0.31 1.07 0.00 -2.94 0.00 0.00 177.10 175.97 2dm0 s ALA 103 N -0.46 3.34 -0.28 3.54 0.00 -1.25 -3.83 121.76 122.81 2dm0 s ALA 103 Ca 0.13 -0.31 0.13 0.00 0.00 0.00 0.00 51.96 51.91 2dm0 s ALA 103 Cb -0.12 -3.74 0.48 0.00 0.00 0.00 0.00 23.12 19.74 2dm0 s ALA 103 CO 0.02 -1.83 1.15 0.00 0.00 0.00 0.00 175.76 175.10 2dm0 n ALA 104 N 7.26 4.11 -2.99 0.00 0.00 -1.26 -4.98 120.51 122.64 2dm0 n ALA 104 Ca 0.11 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.13 2dm0 n ALA 104 Cb 0.48 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2dm0 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm0 n GLY 105 N -0.65 5.19 3.44 0.00 0.00 -1.26 -4.49 105.19 107.42 2dm0 n GLY 105 Ca 0.30 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2dm0 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dm0 n LEU 106 N 0.00 2.75 -2.20 0.99 7.99 -1.26 -4.18 117.00 121.10 2dm0 n LEU 106 Ca 0.00 -2.75 0.00 0.00 -0.01 0.00 0.00 56.01 53.25 2dm0 n LEU 106 Cb 0.00 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 41.90 2dm0 n LEU 106 CO 0.00 -1.80 0.00 0.23 -1.51 0.00 0.00 177.39 174.31 2dm0 n MET 107 N 7.88 -2.69 -5.26 3.23 2.81 -1.26 -4.85 117.12 116.98 2dm0 n MET 107 Ca 0.46 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 56.04 2dm0 n MET 107 Cb 0.44 -3.85 -0.16 0.00 -0.71 0.00 0.00 33.22 28.95 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 -1.70 2.00 -0.52 2.03 2.01 -1.26 -5.09 115.64 113.11 2dm0 s THR 108 Ca 0.00 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.95 2dm0 s THR 108 Cb 0.00 -1.67 0.13 0.00 0.01 0.00 0.00 72.50 70.97 2dm0 s THR 108 CO 0.00 0.56 0.27 -0.60 -0.69 0.00 0.00 174.62 174.17 2dm0 s ARG 109 N -0.47 2.06 -0.33 4.92 3.52 -1.26 -4.30 118.95 123.08 2dm0 s ARG 109 Ca 0.06 -2.46 -0.27 0.00 -0.13 0.00 0.00 55.73 52.94 2dm0 s ARG 109 Cb -0.11 -3.42 -0.12 0.00 -1.56 0.00 0.00 34.95 29.74 2dm0 s ARG 109 CO 0.00 -1.10 1.36 1.28 -0.81 0.00 0.00 175.30 176.04 2dm0 n LEU 110 N 3.44 0.45 0.00 -0.88 4.77 -1.26 -4.73 117.00 118.79 2dm0 n LEU 110 Ca 0.05 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2dm0 n LEU 110 Cb 0.35 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2dm0 n LEU 110 CO 0.32 -0.48 -0.43 -2.11 -1.33 0.00 0.00 177.39 173.36 2dm0 n ARG 111 N 4.74 2.76 -3.60 3.23 1.85 -1.25 -4.72 116.66 119.67 2dm0 n ARG 111 Ca 0.35 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.82 2dm0 n ARG 111 Cb -0.02 -0.93 -0.06 0.00 -1.05 0.00 0.00 32.46 30.39 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 -1.86 3.80 -1.17 2.89 2.02 -1.20 -5.00 117.35 116.83 2dm0 s TYR 112 Ca 0.00 -2.83 -0.23 0.00 -0.37 0.00 0.00 57.07 53.64 2dm0 s TYR 112 Cb 0.00 -3.34 -0.09 0.00 -0.40 0.00 0.00 41.96 38.13 2dm0 s TYR 112 CO 0.00 -0.80 1.93 -0.35 -1.57 0.00 0.00 175.55 174.76 2dm0 n PRO 113 N 2.79 1.60 -1.43 -1.71 -0.04 -1.26 -2.53 135.00 132.42 2dm0 n PRO 113 Ca 0.18 -2.45 -0.56 0.00 -0.04 0.00 0.00 63.50 60.63 2dm0 n PRO 113 Cb 0.38 -3.70 -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 7.73 0.13 -1.67 0.52 0.31 -1.19 -4.65 118.33 119.51 2dm0 n VAL 114 Ca 0.45 -0.13 -0.31 0.00 -0.01 0.00 0.00 64.34 64.35 2dm0 n VAL 114 Cb 0.46 -1.13 0.04 0.00 -0.91 0.00 0.00 33.84 32.30 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 6.13 1.66 0.13 2.92 0.00 -1.26 -3.83 107.32 113.06 2dm0 s GLY 115 Ca 1.11 -0.02 -0.25 0.00 0.00 0.00 0.00 44.72 45.56 2dm0 s GLY 115 CO 0.59 0.29 1.43 1.04 0.00 0.00 0.00 173.10 176.45 2dm0 n LEU 116 N -3.05 -0.86 -4.55 0.66 4.77 -0.03 -3.68 117.00 110.26 2dm0 n LEU 116 Ca 0.07 1.62 -0.14 0.00 -0.03 0.00 0.00 56.01 57.53 2dm0 n LEU 116 Cb 0.54 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2dm0 n LEU 116 CO 0.57 -1.26 1.31 0.23 -1.33 0.00 0.00 177.39 176.90 2dm0 n MET 117 N -4.82 0.47 -2.71 3.23 2.81 -1.26 -4.56 117.12 110.28 2dm0 n MET 117 Ca 0.02 -0.79 -0.01 0.00 -1.81 0.00 0.00 57.70 55.11 2dm0 n MET 117 Cb 0.21 -3.39 0.08 0.00 -0.71 0.00 0.00 33.22 29.41 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 6.63 1.84 3.27 3.03 0.00 -1.24 -5.12 105.19 113.60 2dm0 n GLY 118 Ca 0.49 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.71 0.65 0.33 1.61 0.01 -1.26 -4.73 113.70 107.60 2dm0 s SER 119 Ca 0.20 -1.48 -0.18 0.00 1.31 0.00 0.00 55.95 55.80 2dm0 s SER 119 Cb 0.37 0.47 0.06 0.00 0.21 0.00 0.00 66.02 67.12 2dm0 s SER 119 CO -0.08 -0.96 0.85 -0.44 0.41 0.00 0.00 173.24 173.03 2dm0 s SER 120 N -3.22 -0.01 -0.30 2.44 0.01 -1.26 -5.18 113.70 106.18 2dm0 s SER 120 Ca 0.38 -1.00 -0.17 0.00 1.31 0.00 0.00 55.95 56.47 2dm0 s SER 120 Cb 0.05 0.76 0.19 0.00 0.21 0.00 0.00 66.02 67.23 2dm0 s SER 120 CO 0.17 -1.50 1.21 -0.83 0.41 0.00 0.00 173.24 172.70 2dm0 s GLY 121 N -3.14 0.37 -0.01 3.44 0.00 -1.26 -5.06 107.32 101.65 2dm0 s GLY 121 Ca 0.17 3.63 -0.25 0.00 0.00 0.00 0.00 44.72 48.26 2dm0 s GLY 121 CO 0.10 2.99 1.27 -0.56 0.00 0.00 0.00 173.10 176.90 2dm0 h PRO 122 N 6.09 0.05 -1.74 2.90 0.13 -2.08 -3.46 132.00 133.89 2dm0 h PRO 122 Ca -0.21 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.97 2dm0 h PRO 122 Cb 1.15 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.04 2dm0 h PRO 122 CO 0.16 0.53 0.17 0.45 -0.23 0.00 0.00 178.00 179.07 2dm0 s SER 123 N -5.75 -0.76 -0.22 1.44 0.15 -1.26 -5.14 113.70 102.15 2dm0 s SER 123 Ca -0.16 1.19 -0.01 0.00 0.70 0.00 0.00 55.95 57.67 2dm0 s SER 123 Cb 0.02 1.42 0.06 0.00 -1.71 0.00 0.00 66.02 65.81 2dm0 s SER 123 CO 0.69 -0.18 -0.01 -0.44 1.20 0.00 0.00 173.24 174.49 2dm0 s SER 124 N 1.70 3.44 0.00 5.45 0.01 -1.26 -5.30 113.70 117.73 2dm0 s SER 124 Ca -0.09 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2dm0 s SER 124 Cb -0.05 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.26 2dm0 s SER 124 CO -0.18 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.81