#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 -0.00 0.01 1.61 0.15 -1.26 -5.10 113.70 109.11 2dm0 s SER 2 Ca 0.00 -0.45 -0.05 0.00 0.70 0.00 0.00 55.95 56.15 2dm0 s SER 2 Cb 0.00 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2dm0 s SER 2 CO 0.00 -0.69 -0.10 -0.24 1.20 0.00 0.00 173.24 173.41 2dm0 n SER 3 N 0.20 1.21 0.00 5.45 2.88 -1.26 -5.16 113.62 116.94 2dm0 n SER 3 Ca -0.17 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2dm0 n SER 3 Cb 0.61 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 2.84 0.75 3.87 0.46 0.00 -1.26 -5.04 105.19 106.82 2dm0 n GLY 4 Ca -0.04 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 2dm0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dm0 n SER 5 N 0.00 -4.09 -4.60 1.61 2.88 -1.26 -4.97 113.62 103.19 2dm0 n SER 5 Ca 0.00 -0.79 -0.32 0.00 -1.33 0.00 0.00 58.87 56.44 2dm0 n SER 5 Cb 0.00 -3.93 -0.10 0.00 -0.75 0.00 0.00 64.21 59.43 2dm0 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dm0 s SER 6 N -3.53 4.60 -0.86 -3.46 0.15 -1.26 -5.04 113.70 104.31 2dm0 s SER 6 Ca 0.53 -0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.74 2dm0 s SER 6 Cb -0.26 -1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.96 2dm0 s SER 6 CO 0.83 0.26 1.91 -0.83 1.20 0.00 0.00 173.24 176.61 2dm0 s GLY 7 N -1.60 0.22 -0.20 9.45 0.00 -1.26 -4.94 107.32 108.98 2dm0 s GLY 7 Ca 0.18 -1.39 -0.10 0.00 0.00 0.00 0.00 44.72 43.41 2dm0 s GLY 7 CO 0.09 3.45 0.15 -1.31 0.00 0.00 0.00 173.10 175.48 2dm0 s ASN 8 N 7.93 6.21 0.53 1.64 0.01 -1.26 -5.08 114.94 124.92 2dm0 s ASN 8 Ca 0.69 0.23 -0.19 0.00 -0.71 0.00 0.00 52.86 52.88 2dm0 s ASN 8 Cb -0.07 -2.10 -0.06 0.00 0.41 0.00 0.00 41.25 39.42 2dm0 s ASN 8 CO 0.03 0.15 1.07 -0.54 -1.51 0.00 0.00 177.10 176.30 2dm0 s LYS 9 N 0.50 3.51 0.29 -0.60 1.02 -1.26 -4.97 119.74 118.24 2dm0 s LYS 9 Ca 0.09 1.41 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 2dm0 s LYS 9 Cb -0.12 -2.05 -0.12 0.00 -0.52 0.00 0.00 37.83 35.03 2dm0 s LYS 9 CO -0.00 -0.68 1.56 -0.89 -0.92 0.00 0.00 175.35 174.42 2dm0 n ILE 10 N -1.36 1.11 -3.62 2.17 5.41 -1.26 -4.98 119.36 116.84 2dm0 n ILE 10 Ca 0.10 -0.28 -0.28 0.00 1.00 0.00 0.00 62.75 63.29 2dm0 n ILE 10 Cb 0.52 -1.90 -0.12 0.00 -0.71 0.00 0.00 39.64 37.43 2dm0 n ILE 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2dm0 s THR 11 N -0.12 1.28 -0.47 1.39 2.01 -1.26 -5.08 115.64 113.38 2dm0 s THR 11 Ca 0.63 -2.98 -0.29 0.00 0.31 0.00 0.00 61.69 59.37 2dm0 s THR 11 Cb -0.51 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.15 2dm0 s THR 11 CO 0.50 -1.06 1.26 0.54 -0.69 0.00 0.00 174.62 175.17 2dm0 s ASN 12 N -0.18 6.46 -0.11 3.53 4.22 -1.26 -4.81 114.94 122.80 2dm0 s ASN 12 Ca 0.25 0.54 0.10 0.00 -2.14 0.00 0.00 52.86 51.61 2dm0 s ASN 12 Cb -0.08 -2.55 -0.13 0.00 1.28 0.00 0.00 41.25 39.77 2dm0 s ASN 12 CO -0.12 -1.38 0.04 0.18 -2.04 0.00 0.00 177.10 173.78 2dm0 n LEU 13 N 8.41 0.00 -0.32 3.54 4.77 -1.26 -4.57 117.00 127.56 2dm0 n LEU 13 Ca 0.13 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.26 2dm0 n LEU 13 Cb 0.49 0.26 0.34 0.00 -2.33 0.00 0.00 43.42 42.17 2dm0 n LEU 13 CO 0.71 0.26 1.10 1.05 -1.33 0.00 0.00 177.39 179.19 2dm0 h GLU 14 N 0.00 0.48 -0.95 3.23 4.11 -1.87 0.38 114.58 119.96 2dm0 h GLU 14 Ca -0.29 -0.03 0.28 0.00 0.07 0.00 0.00 59.36 59.39 2dm0 h GLU 14 Cb 1.65 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.75 2dm0 h GLU 14 CO 0.02 0.32 0.81 -0.84 0.07 0.00 0.00 179.01 179.39 2dm0 h ILE 15 N 0.49 0.31 -3.21 -1.06 3.07 -1.97 -3.40 117.51 111.75 2dm0 h ILE 15 Ca 0.59 0.00 -0.46 0.00 1.55 0.00 0.00 64.86 66.54 2dm0 h ILE 15 Cb 1.10 0.40 0.13 0.00 -0.27 0.00 0.00 36.82 38.18 2dm0 h ILE 15 CO -0.49 0.00 0.29 -0.31 -1.05 0.00 0.00 178.15 176.59 2dm0 s TYR 16 N -4.75 1.53 -0.08 0.16 2.02 0.13 -5.05 117.35 111.32 2dm0 s TYR 16 Ca -0.04 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 2dm0 s TYR 16 Cb 0.19 -3.66 -0.07 0.00 -0.40 0.00 0.00 41.96 38.03 2dm0 s TYR 16 CO 0.67 -2.29 -0.03 -0.85 -1.57 0.00 0.00 175.55 171.48 2dm0 n GLU 17 N -3.39 1.39 0.00 -0.62 0.00 -1.26 -4.52 120.64 112.24 2dm0 n GLU 17 Ca 0.15 0.03 0.08 0.00 0.00 0.00 0.00 57.16 57.43 2dm0 n GLU 17 Cb 0.60 -1.18 0.50 0.00 0.00 0.00 0.00 31.44 31.36 2dm0 n GLU 17 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 2dm0 n TRP 18 N -2.54 0.00 -3.36 -1.84 4.27 -1.26 -1.57 117.44 111.15 2dm0 n TRP 18 Ca -0.14 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.03 2dm0 n TRP 18 Cb 0.69 -0.02 -0.00 0.00 -1.36 0.00 0.00 31.31 30.62 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 -2.03 4.25 -0.72 -2.67 5.04 -1.26 -0.16 117.35 119.80 2dm0 s TYR 19 Ca 0.25 -2.71 -0.26 0.00 -2.44 0.00 0.00 57.07 51.90 2dm0 s TYR 19 Cb 0.12 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.63 2dm0 s TYR 19 CO 0.20 -0.94 1.62 -1.01 -1.34 0.00 0.00 175.55 174.08 2dm0 s HIS 20 N -1.27 1.98 0.15 4.97 3.76 -0.43 -4.81 115.29 119.63 2dm0 s HIS 20 Ca 0.30 0.33 0.03 0.00 -0.15 0.00 0.00 55.06 55.57 2dm0 s HIS 20 Cb -0.10 -4.34 -0.04 0.00 1.11 0.00 0.00 32.58 29.22 2dm0 s HIS 20 CO -0.08 -2.14 0.25 -0.98 -0.85 0.00 0.00 174.74 170.94 2dm0 s ARG 21 N 6.38 3.32 -0.51 1.40 1.70 -1.26 -3.84 118.95 126.15 2dm0 s ARG 21 Ca 0.54 -0.65 -0.02 0.00 -0.47 0.00 0.00 55.73 55.12 2dm0 s ARG 21 Cb -0.09 -2.90 0.00 0.00 -0.57 0.00 0.00 34.95 31.39 2dm0 s ARG 21 CO 0.14 0.52 0.44 -1.71 -1.08 0.00 0.00 175.30 173.60 2dm0 n ASN 22 N -0.48 -3.18 -4.13 -2.89 2.85 -1.26 -5.05 115.26 101.13 2dm0 n ASN 22 Ca -0.07 -0.22 -0.24 0.00 -0.11 0.00 0.00 54.58 53.94 2dm0 n ASN 22 Cb 0.54 -2.27 -0.09 0.00 1.24 0.00 0.00 39.78 39.21 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 -3.13 0.62 0.21 -1.44 -4.36 -1.26 -5.15 121.20 106.69 2dm0 s ILE 23 Ca 0.16 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.59 2dm0 s ILE 23 Cb -0.07 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.17 2dm0 s ILE 23 CO 0.28 0.00 -0.03 0.28 0.24 0.00 0.00 174.94 175.71 2dm0 s THR 24 N -3.27 1.10 0.12 8.37 -1.32 -1.26 -4.88 115.64 114.49 2dm0 s THR 24 Ca 0.27 -2.05 -0.22 0.00 -1.21 0.00 0.00 61.69 58.48 2dm0 s THR 24 Cb 0.04 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.77 2dm0 s THR 24 CO 0.15 -0.43 1.13 -1.14 -2.21 0.00 0.00 174.62 172.12 2dm0 n ARG 25 N -0.37 -0.31 -0.20 7.08 3.00 -1.26 0.86 116.66 125.46 2dm0 n ARG 25 Ca -0.06 1.11 -0.02 0.00 -0.00 0.00 0.00 57.85 58.87 2dm0 n ARG 25 Cb 0.63 -1.63 0.04 0.00 0.00 0.00 0.00 32.46 31.50 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2dm0 h ASN 26 N 0.00 -0.72 0.26 6.15 4.21 -1.99 -1.74 115.58 121.75 2dm0 h ASN 26 Ca 0.13 0.19 0.01 0.00 1.21 0.00 0.00 56.30 57.84 2dm0 h ASN 26 Cb 0.31 0.43 -0.03 0.00 -1.12 0.00 0.00 38.32 37.90 2dm0 h ASN 26 CO -0.69 -0.24 -0.40 1.56 -1.29 0.00 0.00 177.43 176.38 2dm0 h GLN 27 N -0.06 -0.70 -0.73 0.81 1.08 0.07 0.32 115.11 115.91 2dm0 h GLN 27 Ca 0.27 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.59 2dm0 h GLN 27 Cb 0.48 0.16 -0.10 0.00 -0.05 0.00 0.00 27.48 27.97 2dm0 h GLN 27 CO -0.63 -0.46 -0.57 0.00 -0.95 0.00 0.00 178.83 176.22 2dm0 h ALA 28 N -0.28 -0.65 0.94 3.87 0.00 -0.32 0.40 119.26 123.22 2dm0 h ALA 28 Ca -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2dm0 h ALA 28 Cb 0.69 1.26 0.01 0.00 0.00 0.00 0.00 17.79 19.76 2dm0 h ALA 28 CO -0.15 -0.99 -0.45 0.93 0.00 0.00 0.00 179.25 178.59 2dm0 h GLU 29 N -0.17 -1.21 -0.36 0.00 5.08 -1.22 -3.12 114.58 113.57 2dm0 h GLU 29 Ca 0.12 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 2dm0 h GLU 29 Cb 0.48 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 2dm0 h GLU 29 CO -0.78 -0.81 -0.30 1.25 -1.00 0.00 0.00 179.01 177.38 2dm0 h HIS 30 N -1.31 -0.93 -0.80 4.33 2.76 0.14 0.32 115.15 119.66 2dm0 h HIS 30 Ca -0.13 0.05 0.32 0.00 -2.20 0.00 0.00 60.37 58.42 2dm0 h HIS 30 Cb 0.97 0.45 -0.14 0.00 1.55 0.00 0.00 27.41 30.24 2dm0 h HIS 30 CO -0.00 -0.22 0.38 1.28 -1.30 0.00 0.00 177.93 178.07 2dm0 n LEU 31 N -4.12 0.24 0.01 0.26 4.77 0.13 0.18 117.00 118.48 2dm0 n LEU 31 Ca -0.00 1.33 -0.18 0.00 -0.03 0.00 0.00 56.01 57.12 2dm0 n LEU 31 Cb 0.16 -0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.50 2dm0 n LEU 31 CO -0.04 -1.47 0.21 -0.07 -1.33 0.00 0.00 177.39 174.69 2dm0 h LEU 32 N 0.00 0.56 -1.03 2.23 3.38 -0.44 -3.27 115.31 116.74 2dm0 h LEU 32 Ca 0.66 -0.78 0.16 0.00 0.09 0.00 0.00 57.88 58.00 2dm0 h LEU 32 Cb 1.70 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 42.19 2dm0 h LEU 32 CO -0.63 1.27 0.62 0.03 0.09 0.00 0.00 178.44 179.82 2dm0 h ARG 33 N -0.08 0.84 -0.50 1.13 2.47 0.44 -0.85 114.38 117.82 2dm0 h ARG 33 Ca -0.09 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2dm0 h ARG 33 Cb 1.39 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 29.46 2dm0 h ARG 33 CO 0.13 0.55 0.19 1.96 0.56 0.00 0.00 179.97 183.37 2dm0 h GLN 34 N 0.86 0.37 0.08 0.04 4.20 -1.14 -2.78 115.11 116.74 2dm0 h GLN 34 Ca 0.53 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.22 2dm0 h GLN 34 Cb 0.71 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2dm0 h GLN 34 CO -0.32 0.24 -0.04 0.93 -0.67 0.00 0.00 178.83 178.98 2dm0 h GLU 35 N 0.38 -0.10 -5.39 1.46 4.39 -1.28 -3.48 114.58 110.55 2dm0 h GLU 35 Ca 0.24 0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.65 2dm0 h GLU 35 Cb 0.24 0.02 0.16 0.00 -0.10 0.00 0.00 28.75 29.08 2dm0 h GLU 35 CO -0.23 0.20 -0.73 0.43 -1.16 0.00 0.00 179.01 177.52 2dm0 n SER 36 N -5.00 -2.55 -3.83 1.42 7.64 -0.65 -5.03 113.62 105.63 2dm0 n SER 36 Ca -0.08 -0.59 -0.12 0.00 1.01 0.00 0.00 58.87 59.09 2dm0 n SER 36 Cb 0.19 -4.83 -0.10 0.00 -1.01 0.00 0.00 64.21 58.47 2dm0 n SER 36 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dm0 s LYS 37 N -5.15 0.51 -0.19 1.43 -2.85 -1.26 -5.12 119.74 107.11 2dm0 s LYS 37 Ca 0.05 -0.24 -0.29 0.00 -1.00 0.00 0.00 55.97 54.49 2dm0 s LYS 37 Cb -0.01 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 35.96 2dm0 s LYS 37 CO 0.68 -0.12 1.49 -2.00 0.10 0.00 0.00 175.35 175.50 2dm0 s GLU 38 N -1.17 3.99 0.00 1.78 2.12 -1.26 -3.24 118.70 120.91 2dm0 s GLU 38 Ca -0.12 1.69 0.00 0.00 0.36 0.00 0.00 54.97 56.89 2dm0 s GLU 38 Cb -0.06 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.39 2dm0 s GLU 38 CO 0.02 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.10 2dm0 n GLY 39 N 4.26 3.58 3.40 -1.50 0.00 -1.18 -4.66 105.19 109.09 2dm0 n GLY 39 Ca 0.17 -0.78 -0.61 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.08 -2.26 4.61 0.00 -1.20 -3.93 120.51 117.65 2dm0 n ALA 40 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 2dm0 n ALA 40 Cb 0.00 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.26 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 5.33 1.14 0.16 0.00 -0.12 -1.19 0.08 117.98 123.38 2dm0 s PHE 41 Ca 1.15 -0.78 -0.19 0.00 -0.05 0.00 0.00 56.93 57.05 2dm0 s PHE 41 Cb -1.43 -0.60 0.05 0.00 -0.63 0.00 0.00 43.02 40.41 2dm0 s PHE 41 CO 0.68 0.01 0.52 0.96 -0.05 0.00 0.00 175.22 177.34 2dm0 s ILE 42 N -3.27 0.03 -0.25 -4.49 -4.36 -0.96 -3.07 121.20 104.83 2dm0 s ILE 42 Ca 0.14 -0.44 0.01 0.00 -0.26 0.00 0.00 60.65 60.10 2dm0 s ILE 42 Cb 0.02 -1.25 0.07 0.00 1.25 0.00 0.00 42.46 42.56 2dm0 s ILE 42 CO -0.01 -0.14 -0.04 -0.69 0.24 0.00 0.00 174.94 174.31 2dm0 s VAL 43 N -3.81 1.60 0.41 8.37 1.01 0.77 -1.08 120.40 127.67 2dm0 s VAL 43 Ca 0.04 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 60.72 2dm0 s VAL 43 Cb -0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2dm0 s VAL 43 CO -0.09 -0.19 0.45 0.00 0.00 0.00 0.00 175.10 175.27 2dm0 s ARG 44 N 1.34 2.70 -0.15 2.72 1.70 -0.90 -1.32 118.95 125.05 2dm0 s ARG 44 Ca -0.03 -1.37 -0.09 0.00 -0.47 0.00 0.00 55.73 53.77 2dm0 s ARG 44 Cb -0.19 -2.56 -0.05 0.00 -0.57 0.00 0.00 34.95 31.58 2dm0 s ARG 44 CO -0.08 -0.19 0.17 -0.51 -1.08 0.00 0.00 175.30 173.61 2dm0 s ASP 45 N -4.21 6.35 0.29 -2.89 1.11 -1.26 -2.69 116.67 113.37 2dm0 s ASP 45 Ca 0.50 0.42 -0.29 0.00 0.18 0.00 0.00 52.55 53.35 2dm0 s ASP 45 Cb -0.06 -2.10 -0.10 0.00 1.07 0.00 0.00 42.92 41.73 2dm0 s ASP 45 CO 0.30 0.29 1.14 -0.44 1.18 0.00 0.00 175.17 177.64 2dm0 s SER 46 N -0.37 7.17 -0.12 0.27 0.01 -0.23 -4.96 113.70 115.48 2dm0 s SER 46 Ca 0.13 2.34 -0.21 0.00 1.31 0.00 0.00 55.95 59.52 2dm0 s SER 46 Cb -0.12 -2.63 -0.27 0.00 0.21 0.00 0.00 66.02 63.21 2dm0 s SER 46 CO 0.02 -0.22 0.63 -0.09 0.41 0.00 0.00 173.24 173.99 2dm0 h ARG 47 N 3.80 0.16 -0.73 12.44 9.65 -1.97 -3.33 114.38 134.39 2dm0 h ARG 47 Ca -0.47 -0.27 0.21 0.00 -1.10 0.00 0.00 59.98 58.35 2dm0 h ARG 47 Cb 1.21 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.87 2dm0 h ARG 47 CO 0.67 1.13 0.55 1.12 2.80 0.00 0.00 179.97 186.24 2dm0 h HIS 48 N -0.60 0.00 -2.51 2.20 2.07 -1.99 -3.44 115.15 110.88 2dm0 h HIS 48 Ca -0.20 0.00 0.15 0.00 -2.85 0.00 0.00 60.37 57.47 2dm0 h HIS 48 Cb 1.48 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.39 2dm0 h HIS 48 CO 0.17 0.00 0.43 -1.17 -3.07 0.00 0.00 177.93 174.30 2dm0 s LEU 49 N -8.44 -0.17 0.00 6.12 2.96 -1.25 -5.02 118.68 112.88 2dm0 s LEU 49 Ca -0.05 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.33 2dm0 s LEU 49 Cb 0.20 2.29 -0.12 0.00 0.50 0.00 0.00 46.19 49.07 2dm0 s LEU 49 CO 0.73 -1.03 2.10 0.61 -1.32 0.00 0.00 176.35 177.43 2dm0 n GLY 50 N -0.49 2.10 2.86 7.98 0.00 -1.26 -3.99 105.19 112.40 2dm0 n GLY 50 Ca -0.05 -0.53 -0.15 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 2.39 1.45 -4.17 1.61 7.64 -1.26 -4.91 113.62 116.37 2dm0 n SER 51 Ca 0.19 -2.08 -0.13 0.00 1.01 0.00 0.00 58.87 57.86 2dm0 n SER 51 Cb 0.50 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.74 0.99 -0.17 1.43 2.02 -1.25 -1.07 117.35 117.57 2dm0 s TYR 52 Ca 0.45 -0.74 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 2dm0 s TYR 52 Cb -0.03 -0.55 0.05 0.00 -0.40 0.00 0.00 41.96 41.03 2dm0 s TYR 52 CO 0.29 -0.05 0.42 0.99 -1.57 0.00 0.00 175.55 175.63 2dm0 s THR 53 N -2.85 -0.01 -0.09 -0.71 2.01 -1.10 0.15 115.64 113.04 2dm0 s THR 53 Ca 0.08 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 2dm0 s THR 53 Cb -0.00 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 2dm0 s THR 53 CO -0.01 0.02 0.25 -0.63 -0.69 0.00 0.00 174.62 173.55 2dm0 s ILE 54 N 0.82 5.32 -0.32 1.82 1.01 0.81 -2.11 121.20 128.53 2dm0 s ILE 54 Ca -0.05 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.10 2dm0 s ILE 54 Cb -0.06 -3.54 0.09 0.00 0.01 0.00 0.00 42.46 38.97 2dm0 s ILE 54 CO -0.06 0.57 0.03 -0.44 0.00 0.00 0.00 174.94 175.04 2dm0 s SER 55 N -0.83 4.63 0.08 3.58 0.01 -0.24 -0.13 113.70 120.78 2dm0 s SER 55 Ca 0.18 -1.98 0.01 0.00 1.31 0.00 0.00 55.95 55.47 2dm0 s SER 55 Cb -0.14 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 2dm0 s SER 55 CO 0.07 -0.35 0.19 -0.69 0.41 0.00 0.00 173.24 172.86 2dm0 s VAL 56 N 1.01 5.17 -0.44 3.43 1.01 -1.10 -2.27 120.40 127.22 2dm0 s VAL 56 Ca 0.08 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2dm0 s VAL 56 Cb -0.19 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2dm0 s VAL 56 CO -0.09 0.11 0.44 0.12 0.00 0.00 0.00 175.10 175.68 2dm0 s PHE 57 N -1.51 3.17 -0.01 5.22 5.36 0.11 -0.89 117.98 129.43 2dm0 s PHE 57 Ca 0.34 -0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 55.82 2dm0 s PHE 57 Cb -0.13 -2.98 -0.00 0.00 -0.34 0.00 0.00 43.02 39.57 2dm0 s PHE 57 CO 0.27 -0.75 0.11 0.52 -1.46 0.00 0.00 175.22 173.91 2dm0 h MET 58 N 8.76 -0.02 0.00 10.12 2.86 0.00 -3.12 114.93 133.53 2dm0 h MET 58 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2dm0 h MET 58 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 2dm0 h MET 58 CO 0.82 -0.01 0.00 0.41 1.06 0.00 0.00 176.91 179.19 2dm0 n GLY 59 N 1.67 3.34 3.13 8.32 0.00 -0.80 -4.59 105.19 116.26 2dm0 n GLY 59 Ca -0.00 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 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 0.42 -2.45 -2.41 4.61 0.00 -1.25 -4.55 120.51 114.87 2dm0 n ALA 60 Ca 0.00 -1.25 -0.38 0.00 0.00 0.00 0.00 53.44 51.81 2dm0 n ALA 60 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 2dm0 n ALA 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dm0 s ARG 61 N -3.70 3.48 -1.24 0.00 1.81 -1.26 -4.41 118.95 113.64 2dm0 s ARG 61 Ca 0.47 -1.64 -0.01 0.00 -1.72 0.00 0.00 55.73 52.84 2dm0 s ARG 61 Cb -0.09 -5.43 0.01 0.00 -0.45 0.00 0.00 34.95 28.99 2dm0 s ARG 61 CO 0.47 -2.79 0.02 -2.13 -0.68 0.00 0.00 175.30 170.19 2dm0 n ARG 62 N 8.42 -0.95 -3.96 3.54 3.00 -1.26 -4.89 116.66 120.57 2dm0 n ARG 62 Ca 0.46 0.07 -0.20 0.00 -0.00 0.00 0.00 57.85 58.19 2dm0 n ARG 62 Cb 0.47 -2.87 -0.06 0.00 0.00 0.00 0.00 32.46 30.00 2dm0 n ARG 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2dm0 n SER 63 N -2.21 0.68 -1.61 6.15 3.41 -1.26 -5.02 113.62 113.76 2dm0 n SER 63 Ca -0.25 -2.81 -0.03 0.00 -0.26 0.00 0.00 58.87 55.52 2dm0 n SER 63 Cb 0.55 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.47 2dm0 n SER 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2dm0 n THR 64 N -0.70 2.20 -4.41 6.66 -1.04 -1.26 -4.81 114.28 110.92 2dm0 n THR 64 Ca -0.02 -0.71 -0.23 0.00 -2.04 0.00 0.00 64.05 61.06 2dm0 n THR 64 Cb 0.51 -1.60 -0.08 0.00 -1.82 0.00 0.00 70.33 67.33 2dm0 n THR 64 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dm0 s GLU 65 N 0.23 1.85 0.05 -2.82 0.41 -1.26 -5.14 118.70 112.03 2dm0 s GLU 65 Ca 0.14 -2.11 0.02 0.00 -0.41 0.00 0.00 54.97 52.61 2dm0 s GLU 65 Cb 0.07 -0.17 -0.03 0.00 -1.78 0.00 0.00 34.13 32.22 2dm0 s GLU 65 CO 0.00 -0.57 -0.07 0.00 -0.49 0.00 0.00 175.26 174.14 2dm0 s ALA 66 N -3.33 0.59 -0.06 5.21 0.00 -1.26 -3.83 121.76 119.08 2dm0 s ALA 66 Ca 0.31 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2dm0 s ALA 66 Cb 0.02 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2dm0 s ALA 66 CO 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 175.76 175.76 2dm0 s ALA 67 N -2.04 1.03 -0.04 0.00 0.00 -1.26 -4.44 121.76 115.01 2dm0 s ALA 67 Ca -0.05 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.66 2dm0 s ALA 67 Cb -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2dm0 s ALA 67 CO -0.02 0.06 -0.10 0.42 0.00 0.00 0.00 175.76 176.13 2dm0 s ILE 68 N 0.77 0.89 0.21 0.00 1.01 -1.26 0.74 121.20 123.56 2dm0 s ILE 68 Ca -0.13 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.19 2dm0 s ILE 68 Cb -0.15 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 2dm0 s ILE 68 CO 0.02 0.29 0.28 -0.54 0.00 0.00 0.00 174.94 174.99 2dm0 s LYS 69 N 0.43 3.26 -0.26 2.79 3.01 -0.06 -4.92 119.74 123.99 2dm0 s LYS 69 Ca -0.08 -0.80 -0.01 0.00 -1.01 0.00 0.00 55.97 54.08 2dm0 s LYS 69 Cb -0.12 -2.81 0.08 0.00 -1.01 0.00 0.00 37.83 33.97 2dm0 s LYS 69 CO 0.01 0.45 0.05 -1.01 0.51 0.00 0.00 175.35 175.37 2dm0 s HIS 70 N -1.92 1.77 -0.59 3.18 3.76 -1.26 -2.72 115.29 117.51 2dm0 s HIS 70 Ca 0.33 -1.57 -0.15 0.00 -0.15 0.00 0.00 55.06 53.52 2dm0 s HIS 70 Cb -0.09 -1.56 0.15 0.00 1.11 0.00 0.00 32.58 32.18 2dm0 s HIS 70 CO 0.27 -0.79 0.55 0.71 -0.85 0.00 0.00 174.74 174.63 2dm0 s TYR 71 N 1.60 3.35 -0.31 1.40 2.02 0.81 -4.93 117.35 121.29 2dm0 s TYR 71 Ca 0.04 -1.44 -0.29 0.00 -0.37 0.00 0.00 57.07 55.01 2dm0 s TYR 71 Cb -0.18 -3.79 -0.01 0.00 -0.40 0.00 0.00 41.96 37.58 2dm0 s TYR 71 CO -0.16 -1.01 1.55 -1.14 -1.57 0.00 0.00 175.55 173.22 2dm0 s GLN 72 N 1.33 3.64 -0.34 -0.62 0.74 -1.26 -0.14 119.66 123.02 2dm0 s GLN 72 Ca 0.06 1.33 -0.29 0.00 0.05 0.00 0.00 55.36 56.52 2dm0 s GLN 72 Cb -0.26 -4.05 -0.01 0.00 1.10 0.00 0.00 33.01 29.79 2dm0 s GLN 72 CO 0.01 -1.48 1.66 0.42 -0.55 0.00 0.00 175.29 175.35 2dm0 s ILE 73 N 5.53 3.64 0.46 -2.34 1.01 0.38 -4.81 121.20 125.08 2dm0 s ILE 73 Ca 0.68 0.66 0.08 0.00 0.00 0.00 0.00 60.65 62.07 2dm0 s ILE 73 Cb -0.20 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.48 2dm0 s ILE 73 CO 0.30 -0.49 0.58 -0.54 0.00 0.00 0.00 174.94 174.79 2dm0 s LYS 74 N 5.29 2.62 -0.03 2.79 1.02 -0.31 -3.86 119.74 127.26 2dm0 s LYS 74 Ca 0.73 -1.43 0.05 0.00 0.02 0.00 0.00 55.97 55.34 2dm0 s LYS 74 Cb -0.20 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 2dm0 s LYS 74 CO 0.33 -0.42 -0.17 0.21 -0.92 0.00 0.00 175.35 174.37 2dm0 s LYS 75 N -4.38 1.56 0.78 1.68 2.20 -1.26 -0.74 119.74 119.57 2dm0 s LYS 75 Ca 0.54 -0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 55.40 2dm0 s LYS 75 Cb -0.07 -1.44 0.18 0.00 -1.51 0.00 0.00 37.83 34.98 2dm0 s LYS 75 CO 0.33 0.32 1.04 0.27 -0.36 0.00 0.00 175.35 176.96 2dm0 n ASN 76 N 2.85 0.02 0.06 1.43 0.23 -0.59 -4.88 115.26 114.38 2dm0 n ASN 76 Ca -0.16 -1.37 0.01 0.00 -0.53 0.00 0.00 54.58 52.53 2dm0 n ASN 76 Cb 0.54 -0.80 0.33 0.00 -2.08 0.00 0.00 39.78 37.76 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 -1.41 0.36 1.00 0.53 3.32 -2.01 -1.71 116.42 116.50 2dm0 h ASP 77 Ca -0.34 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2dm0 h ASP 77 Cb 0.93 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2dm0 h ASP 77 CO 0.24 0.49 0.00 0.28 -1.72 0.00 0.00 179.24 178.53 2dm0 h SER 78 N 0.36 0.00 -0.03 6.45 0.02 -2.03 -3.46 113.55 114.86 2dm0 h SER 78 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2dm0 h SER 78 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2dm0 h SER 78 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2dm0 n GLY 79 N 0.15 1.44 3.72 -3.77 0.00 -0.64 -5.09 105.19 100.99 2dm0 n GLY 79 Ca 0.02 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.94 2.98 0.09 1.61 -0.21 -1.26 -4.86 119.66 116.08 2dm0 s GLN 80 Ca 0.00 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 54.62 2dm0 s GLN 80 Cb 0.00 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.16 2dm0 s GLN 80 CO 0.00 0.67 0.97 -1.58 -2.12 0.00 0.00 175.29 173.23 2dm0 s TRP 81 N -1.02 3.78 0.10 0.91 0.52 -1.20 -1.54 118.94 120.48 2dm0 s TRP 81 Ca 0.17 1.78 -0.15 0.00 0.02 0.00 0.00 56.10 57.92 2dm0 s TRP 81 Cb -0.12 -3.07 0.03 0.00 -1.15 0.00 0.00 33.47 29.16 2dm0 s TRP 81 CO 0.07 0.14 0.35 1.52 0.02 0.00 0.00 176.95 179.06 2dm0 s TYR 82 N 0.19 -0.14 0.00 -1.98 -0.85 0.08 -0.81 117.35 113.84 2dm0 s TYR 82 Ca 0.48 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.89 2dm0 s TYR 82 Cb -0.23 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.29 2dm0 s TYR 82 CO 0.30 -0.63 0.00 0.28 -1.52 0.00 0.00 175.55 173.97 2dm0 n VAL 83 N -0.00 0.00 1.83 -3.49 0.31 -1.26 -1.16 118.33 114.56 2dm0 n VAL 83 Ca -0.16 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.23 2dm0 n VAL 83 Cb 0.62 -1.39 0.34 0.00 -0.91 0.00 0.00 33.84 32.50 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 -2.94 2.55 -1.95 3.52 0.00 -1.26 -4.86 120.51 115.57 2dm0 n ALA 84 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 2dm0 n ALA 84 Cb 0.46 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.48 -1.71 0.00 0.00 2.13 -1.26 -4.67 120.64 114.64 2dm0 n GLU 85 Ca 0.10 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2dm0 n GLU 85 Cb 0.09 -5.25 0.00 0.00 0.27 0.00 0.00 31.44 26.56 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 -2.44 1.22 -3.98 5.31 5.12 -1.26 -5.01 116.66 115.62 2dm0 n ARG 86 Ca -0.16 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.43 2dm0 n ARG 86 Cb 0.56 -0.70 -0.14 0.00 -1.16 0.00 0.00 32.46 31.02 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 -1.41 3.47 0.06 -1.55 3.76 -1.26 -5.10 115.29 113.26 2dm0 s HIS 87 Ca 0.00 -2.46 -0.07 0.00 -0.15 0.00 0.00 55.06 52.38 2dm0 s HIS 87 Cb 0.00 -2.47 -0.05 0.00 1.11 0.00 0.00 32.58 31.17 2dm0 s HIS 87 CO 0.00 -0.90 0.33 0.00 -0.85 0.00 0.00 174.74 173.32 2dm0 s ALA 88 N 1.07 3.81 0.29 -1.40 0.00 -1.26 -4.39 121.76 119.88 2dm0 s ALA 88 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2dm0 s ALA 88 Cb -0.20 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2dm0 s ALA 88 CO -0.05 0.64 0.03 1.19 0.00 0.00 0.00 175.76 177.57 2dm0 n PHE 89 N 0.77 0.46 -0.03 0.00 3.01 0.01 -4.94 117.46 116.74 2dm0 n PHE 89 Ca -0.08 -1.41 0.01 0.00 1.01 0.00 0.00 57.45 56.98 2dm0 n PHE 89 Cb 0.52 -0.20 -0.11 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.08 -4.02 -1.08 6.02 -1.26 -3.24 117.38 114.09 2dm0 n GLN 90 Ca -0.11 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.72 2dm0 n GLN 90 Cb 0.36 -1.34 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 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 -4.13 0.39 0.10 1.08 0.01 -1.26 -4.86 113.70 105.04 2dm0 s SER 91 Ca -0.06 -0.64 -0.21 0.00 1.31 0.00 0.00 55.95 56.34 2dm0 s SER 91 Cb 0.07 0.12 -0.11 0.00 0.21 0.00 0.00 66.02 66.30 2dm0 s SER 91 CO 0.58 -0.37 1.74 0.40 0.41 0.00 0.00 173.24 176.00 2dm0 h ILE 92 N 4.21 1.04 0.00 1.44 1.08 -1.96 -1.73 117.51 121.59 2dm0 h ILE 92 Ca -0.33 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2dm0 h ILE 92 Cb 1.19 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 2dm0 h ILE 92 CO 0.48 0.03 0.00 -0.81 -0.69 0.00 0.00 178.15 177.16 2dm0 n PRO 93 N -5.01 0.25 -0.06 2.37 -0.04 -1.26 -2.53 135.00 128.73 2dm0 n PRO 93 Ca -0.05 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 2dm0 n PRO 93 Cb 0.04 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.24 0.68 -0.11 0.54 4.71 -0.70 -3.52 120.64 121.01 2dm0 n GLU 94 Ca 0.08 0.18 0.01 0.00 -0.01 0.00 0.00 57.16 57.42 2dm0 n GLU 94 Cb 0.11 -1.64 0.30 0.00 -1.01 0.00 0.00 31.44 29.20 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2dm0 h LEU 95 N 0.02 0.68 0.00 -4.62 6.46 -1.13 -1.36 115.31 115.36 2dm0 h LEU 95 Ca -0.45 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2dm0 h LEU 95 Cb 2.05 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 2dm0 h LEU 95 CO 0.03 0.54 -0.44 -0.38 -0.62 0.00 0.00 178.44 177.57 2dm0 n ILE 96 N -4.40 0.25 -0.16 4.05 2.08 -1.24 -3.33 119.36 116.60 2dm0 n ILE 96 Ca 0.05 -0.17 -0.00 0.00 0.56 0.00 0.00 62.75 63.19 2dm0 n ILE 96 Cb 0.09 -0.13 0.25 0.00 -0.75 0.00 0.00 39.64 39.09 2dm0 n ILE 96 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 2dm0 h TRP 97 N 0.00 0.87 0.03 1.39 -0.00 -1.28 -2.88 115.95 114.07 2dm0 h TRP 97 Ca 0.00 -0.01 -0.31 0.00 -0.00 0.00 0.00 58.89 58.57 2dm0 h TRP 97 Cb 0.65 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.16 29.49 2dm0 h TRP 97 CO 0.00 0.61 -1.69 0.98 -0.00 0.00 0.00 178.44 178.34 2dm0 n TYR 98 N -4.38 0.86 -0.50 2.65 9.36 -1.23 -4.20 117.16 119.72 2dm0 n TYR 98 Ca 0.06 0.31 0.41 0.00 3.32 0.00 0.00 57.90 62.00 2dm0 n TYR 98 Cb 0.10 -1.09 0.70 0.00 -0.63 0.00 0.00 39.34 38.41 2dm0 n TYR 98 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dm0 h HIS 99 N -0.71 0.42 0.13 2.98 3.86 -1.57 0.24 115.15 120.50 2dm0 h HIS 99 Ca -0.43 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 58.81 2dm0 h HIS 99 Cb 1.55 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.88 2dm0 h HIS 99 CO 0.06 -0.20 -0.39 1.96 0.86 0.00 0.00 177.93 180.22 2dm0 h GLN 100 N 0.03 -0.61 0.24 2.45 4.20 -1.67 -3.12 115.11 116.64 2dm0 h GLN 100 Ca 0.86 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.60 2dm0 h GLN 100 Cb 2.90 0.14 0.00 0.00 0.30 0.00 0.00 27.48 30.82 2dm0 h GLN 100 CO -0.36 -0.41 -0.12 1.25 -0.67 0.00 0.00 178.83 178.52 2dm0 h HIS 101 N -0.63 -0.30 -3.16 2.96 2.76 -0.79 -3.39 115.15 112.58 2dm0 h HIS 101 Ca 0.02 -0.01 -0.60 0.00 -2.20 0.00 0.00 60.37 57.59 2dm0 h HIS 101 Cb 0.66 0.10 -0.35 0.00 1.55 0.00 0.00 27.41 29.36 2dm0 h HIS 101 CO -0.34 0.07 -0.83 0.54 -1.30 0.00 0.00 177.93 176.07 2dm0 s ASN 102 N -5.27 2.62 -1.37 3.26 2.20 -0.55 -5.04 114.94 110.79 2dm0 s ASN 102 Ca -0.13 -0.47 -0.16 0.00 -0.94 0.00 0.00 52.86 51.16 2dm0 s ASN 102 Cb 0.01 -1.15 0.05 0.00 -2.00 0.00 0.00 41.25 38.15 2dm0 s ASN 102 CO 0.48 -0.03 2.00 0.00 -2.94 0.00 0.00 177.10 176.61 2dm0 n ALA 103 N 4.59 4.54 -2.16 3.54 0.00 -1.18 -3.49 120.51 126.34 2dm0 n ALA 103 Ca -0.18 -3.84 -0.31 0.00 0.00 0.00 0.00 53.44 49.12 2dm0 n ALA 103 Cb 0.50 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.33 2dm0 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm0 n ALA 104 N 7.31 2.18 0.00 0.00 0.00 -1.26 -3.53 120.51 125.21 2dm0 n ALA 104 Ca 0.50 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.76 2dm0 n ALA 104 Cb 0.42 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.37 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 5.70 3.46 1.14 0.00 0.00 -1.26 -4.78 105.19 109.45 2dm0 n GLY 105 Ca 0.46 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.09 0.99 4.77 -1.23 -4.94 117.00 116.49 2dm0 n LEU 106 Ca 0.00 -0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 55.53 2dm0 n LEU 106 Cb 0.00 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 2dm0 n LEU 106 CO 0.00 -1.99 -1.10 0.23 -1.33 0.00 0.00 177.39 173.20 2dm0 n MET 107 N -3.36 0.45 -4.36 3.23 2.81 -1.26 -4.98 117.12 109.65 2dm0 n MET 107 Ca 0.05 0.12 -0.24 0.00 -1.81 0.00 0.00 57.70 55.82 2dm0 n MET 107 Cb 0.21 -1.33 -0.08 0.00 -0.71 0.00 0.00 33.22 31.31 2dm0 n MET 107 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2dm0 s THR 108 N -2.36 2.83 -0.17 2.03 -1.32 -1.26 -5.07 115.64 110.31 2dm0 s THR 108 Ca -0.25 -2.05 -0.13 0.00 -1.21 0.00 0.00 61.69 58.05 2dm0 s THR 108 Cb 0.07 -2.70 -0.05 0.00 -1.51 0.00 0.00 72.50 68.31 2dm0 s THR 108 CO 0.40 -0.29 0.26 -0.13 -2.21 0.00 0.00 174.62 172.66 2dm0 s ARG 109 N -3.66 4.24 -0.09 7.08 1.81 -1.26 -4.82 118.95 122.25 2dm0 s ARG 109 Ca 0.33 0.04 -0.32 0.00 -1.72 0.00 0.00 55.73 54.06 2dm0 s ARG 109 Cb -0.03 -3.42 -0.10 0.00 -0.45 0.00 0.00 34.95 30.95 2dm0 s ARG 109 CO 0.19 0.25 1.99 1.28 -0.68 0.00 0.00 175.30 178.33 2dm0 n LEU 110 N 3.56 3.56 -0.01 2.53 4.77 -1.26 -4.65 117.00 125.50 2dm0 n LEU 110 Ca -0.13 0.79 -0.05 0.00 -0.03 0.00 0.00 56.01 56.59 2dm0 n LEU 110 Cb 0.52 -1.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.15 2dm0 n LEU 110 CO 0.39 -0.12 -0.42 0.54 -1.33 0.00 0.00 177.39 176.45 2dm0 n ARG 111 N 7.39 0.15 -3.45 3.23 1.74 -1.25 -4.89 116.66 119.58 2dm0 n ARG 111 Ca 0.24 0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.95 2dm0 n ARG 111 Cb 0.35 -0.76 -0.05 0.00 -1.02 0.00 0.00 32.46 30.97 2dm0 n ARG 111 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2dm0 s TYR 112 N -2.21 3.54 -1.18 -1.55 1.51 -1.26 -5.00 117.35 111.20 2dm0 s TYR 112 Ca -0.09 -1.99 -0.23 0.00 -1.01 0.00 0.00 57.07 53.75 2dm0 s TYR 112 Cb 0.02 -3.63 -0.09 0.00 -0.11 0.00 0.00 41.96 38.16 2dm0 s TYR 112 CO 0.13 -0.97 1.93 -0.35 -1.11 0.00 0.00 175.55 175.18 2dm0 n PRO 113 N 4.29 1.61 -0.85 -1.71 -0.04 -1.26 -3.18 135.00 133.86 2dm0 n PRO 113 Ca 0.03 -2.46 -0.40 0.00 -0.04 0.00 0.00 63.50 60.63 2dm0 n PRO 113 Cb 0.43 -3.71 -0.08 0.00 -0.04 0.00 0.00 33.50 30.09 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 -1.29 0.52 0.31 -1.17 -4.63 118.33 119.82 2dm0 n VAL 114 Ca 0.45 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.46 2dm0 n VAL 114 Cb 0.46 -0.33 0.10 0.00 -0.91 0.00 0.00 33.84 33.16 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 3.92 1.87 0.07 2.92 0.00 -1.26 -4.02 107.32 110.81 2dm0 s GLY 115 Ca 0.80 0.46 -0.25 0.00 0.00 0.00 0.00 44.72 45.73 2dm0 s GLY 115 CO 0.44 0.83 1.40 1.41 0.00 0.00 0.00 173.10 177.18 2dm0 h LEU 116 N -0.91 -1.14 -8.27 0.66 3.38 -1.61 -3.35 115.31 104.08 2dm0 h LEU 116 Ca -0.45 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 2dm0 h LEU 116 Cb 1.25 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 2dm0 h LEU 116 CO 0.50 -0.41 0.42 0.23 0.09 0.00 0.00 178.44 179.27 2dm0 n MET 117 N -4.62 0.44 0.04 1.13 2.81 -1.26 -4.50 117.12 111.15 2dm0 n MET 117 Ca -0.06 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 2dm0 n MET 117 Cb 0.30 -3.16 0.00 0.00 -0.71 0.00 0.00 33.22 29.65 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 6.54 -0.04 3.89 3.03 0.00 -1.26 -5.11 105.19 112.25 2dm0 n GLY 118 Ca 0.51 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 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 -5.62 4.71 0.20 1.61 0.01 -1.26 -5.11 113.70 108.25 2dm0 s SER 119 Ca 0.00 -1.12 -0.22 0.00 1.31 0.00 0.00 55.95 55.92 2dm0 s SER 119 Cb 0.00 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.44 2dm0 s SER 119 CO 0.00 -0.98 0.97 -0.44 0.41 0.00 0.00 173.24 173.20 2dm0 s SER 120 N -4.24 -0.07 -0.33 2.44 0.01 -1.26 -5.14 113.70 105.12 2dm0 s SER 120 Ca 0.39 -0.63 -0.15 0.00 1.31 0.00 0.00 55.95 56.87 2dm0 s SER 120 Cb -0.02 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 2dm0 s SER 120 CO 0.23 -1.06 0.36 -0.83 0.41 0.00 0.00 173.24 172.36 2dm0 s GLY 121 N -3.17 1.89 0.02 3.44 0.00 -1.26 -4.97 107.32 103.28 2dm0 s GLY 121 Ca 0.17 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.55 2dm0 s GLY 121 CO 0.05 0.99 1.33 -0.56 0.00 0.00 0.00 173.10 174.91 2dm0 h PRO 122 N 8.41 0.26 -4.09 2.90 0.13 -2.07 -3.47 132.00 134.06 2dm0 h PRO 122 Ca -0.30 -0.13 -0.24 0.00 -0.87 0.00 0.00 66.00 64.46 2dm0 h PRO 122 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 2dm0 h PRO 122 CO 0.68 0.66 -0.22 0.45 -0.23 0.00 0.00 178.00 179.35 2dm0 s SER 123 N -6.00 0.69 -0.01 1.44 0.15 -1.26 -5.18 113.70 103.53 2dm0 s SER 123 Ca -0.15 -1.39 -0.18 0.00 0.70 0.00 0.00 55.95 54.93 2dm0 s SER 123 Cb 0.04 0.63 0.03 0.00 -1.71 0.00 0.00 66.02 65.01 2dm0 s SER 123 CO 0.73 -1.23 0.40 -0.55 1.20 0.00 0.00 173.24 173.79 2dm0 s SER 124 N -3.20 -0.29 0.00 5.45 0.15 -1.26 -5.25 113.70 109.30 2dm0 s SER 124 Ca 0.30 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2dm0 s SER 124 Cb 0.00 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2dm0 s SER 124 CO 0.18 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.71