#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 4.50 -4.16 1.61 7.64 -1.26 -5.03 113.62 116.92 2dm0 n SER 2 Ca 0.00 -3.57 -0.22 0.00 1.01 0.00 0.00 58.87 56.09 2dm0 n SER 2 Cb 0.00 -0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 62.67 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 -3.59 1.86 0.00 6.43 0.01 -1.26 -4.87 113.70 112.28 2dm0 s SER 3 Ca 0.48 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2dm0 s SER 3 Cb 0.40 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2dm0 s SER 3 CO -0.02 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2dm0 n GLY 4 N 2.24 3.71 3.64 3.44 0.00 -1.26 -5.11 105.19 111.85 2dm0 n GLY 4 Ca -0.16 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 6.93 -0.28 1.61 1.04 -1.26 -4.98 113.70 116.75 2dm0 s SER 5 Ca 0.00 1.14 -0.23 0.00 0.48 0.00 0.00 55.95 57.34 2dm0 s SER 5 Cb 0.00 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.69 2dm0 s SER 5 CO 0.00 -0.87 0.96 -0.44 0.98 0.00 0.00 173.24 173.87 2dm0 s SER 6 N 1.74 -0.53 0.00 7.02 0.01 -1.26 -5.18 113.70 115.50 2dm0 s SER 6 Ca 0.47 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.72 2dm0 s SER 6 Cb -0.13 1.04 0.00 0.00 0.21 0.00 0.00 66.02 67.13 2dm0 s SER 6 CO 0.15 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2dm0 n GLY 7 N 2.57 4.31 3.53 3.44 0.00 -1.26 -5.12 105.19 112.66 2dm0 n GLY 7 Ca -0.14 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2dm0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm0 s ASN 8 N 1.60 6.25 -0.30 1.61 2.20 -1.26 -5.04 114.94 120.00 2dm0 s ASN 8 Ca 0.00 -0.28 -0.06 0.00 -0.94 0.00 0.00 52.86 51.58 2dm0 s ASN 8 Cb 0.00 -2.24 0.01 0.00 -2.00 0.00 0.00 41.25 37.02 2dm0 s ASN 8 CO 0.00 -0.49 0.07 -0.54 -2.94 0.00 0.00 177.10 173.20 2dm0 s LYS 9 N 2.26 3.01 0.35 3.55 1.02 -1.26 -5.07 119.74 123.59 2dm0 s LYS 9 Ca 0.15 -0.91 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 2dm0 s LYS 9 Cb -0.16 -3.35 -0.10 0.00 -0.52 0.00 0.00 37.83 33.70 2dm0 s LYS 9 CO 0.13 -0.47 -0.08 -0.89 -0.92 0.00 0.00 175.35 173.12 2dm0 n ILE 10 N 4.84 0.00 -3.50 2.17 -0.00 -1.26 -4.97 119.36 116.64 2dm0 n ILE 10 Ca -0.14 -0.35 -0.21 0.00 -0.00 0.00 0.00 62.75 62.05 2dm0 n ILE 10 Cb 0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 39.98 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 -1.38 -0.25 -0.09 1.39 2.01 -1.26 -5.14 115.64 110.92 2dm0 s THR 11 Ca 0.39 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2dm0 s THR 11 Cb -0.35 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 2dm0 s THR 11 CO 0.46 -0.38 -0.09 0.21 -0.69 0.00 0.00 174.62 174.13 2dm0 s ASN 12 N 2.26 4.46 0.00 3.53 2.47 -1.26 -4.98 114.94 121.41 2dm0 s ASN 12 Ca 0.07 -0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.23 2dm0 s ASN 12 Cb -0.15 -1.29 0.00 0.00 -1.45 0.00 0.00 41.25 38.35 2dm0 s ASN 12 CO -0.21 0.29 0.00 0.18 -3.72 0.00 0.00 177.10 173.64 2dm0 n LEU 13 N 2.69 0.00 -0.26 3.21 4.77 -1.26 -4.72 117.00 121.43 2dm0 n LEU 13 Ca -0.18 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.87 2dm0 n LEU 13 Cb 0.53 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.82 2dm0 n LEU 13 CO 0.28 0.00 0.99 -0.33 -1.33 0.00 0.00 177.39 177.00 2dm0 h GLU 14 N 0.00 0.37 -1.12 3.23 5.08 -1.94 0.92 114.58 121.12 2dm0 h GLU 14 Ca 0.00 -0.02 0.32 0.00 -1.00 0.00 0.00 59.36 58.66 2dm0 h GLU 14 Cb 0.00 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.06 2dm0 h GLU 14 CO 0.00 0.24 0.71 -0.84 -1.00 0.00 0.00 179.01 178.12 2dm0 h ILE 15 N 0.38 0.38 -2.65 3.13 3.07 -1.97 -3.41 117.51 116.43 2dm0 h ILE 15 Ca 0.43 -0.10 -0.21 0.00 1.55 0.00 0.00 64.86 66.53 2dm0 h ILE 15 Cb 0.71 0.06 0.10 0.00 -0.27 0.00 0.00 36.82 37.41 2dm0 h ILE 15 CO -0.46 0.05 0.12 -1.22 -1.05 0.00 0.00 178.15 175.60 2dm0 n TYR 16 N -4.70 -3.68 0.00 0.16 4.01 0.32 -5.04 117.16 108.23 2dm0 n TYR 16 Ca 0.30 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2dm0 n TYR 16 Cb 1.05 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 -2.89 1.52 0.00 -0.72 0.28 -1.26 -4.62 120.64 112.95 2dm0 n GLU 17 Ca 0.08 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.13 2dm0 n GLU 17 Cb 0.30 -1.00 0.29 0.00 1.43 0.00 0.00 31.44 32.46 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 -2.30 0.00 -3.01 -1.84 4.27 -1.26 -1.93 117.44 111.37 2dm0 n TRP 18 Ca 0.00 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.17 2dm0 n TRP 18 Cb 0.50 -0.19 0.00 0.00 -1.36 0.00 0.00 31.31 30.27 2dm0 n TRP 18 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 2dm0 n TYR 19 N -1.19 4.39 -2.31 -2.67 9.36 -1.26 -0.83 117.16 122.65 2dm0 n TYR 19 Ca 0.06 -3.36 -0.36 0.00 3.32 0.00 0.00 57.90 57.56 2dm0 n TYR 19 Cb 0.07 -1.85 -0.04 0.00 -0.63 0.00 0.00 39.34 36.90 2dm0 n TYR 19 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 2dm0 s HIS 20 N -0.28 2.12 0.43 2.98 3.76 0.18 -4.85 115.29 119.63 2dm0 s HIS 20 Ca 0.36 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.33 2dm0 s HIS 20 Cb -0.02 -4.38 0.01 0.00 1.11 0.00 0.00 32.58 29.29 2dm0 s HIS 20 CO -0.01 -1.96 0.61 -0.98 -0.85 0.00 0.00 174.74 171.55 2dm0 s ARG 21 N 6.08 2.91 -1.08 1.40 1.70 -1.26 -3.85 118.95 124.85 2dm0 s ARG 21 Ca 0.55 -0.89 -0.05 0.00 -0.47 0.00 0.00 55.73 54.88 2dm0 s ARG 21 Cb -0.05 -2.67 0.01 0.00 -0.57 0.00 0.00 34.95 31.66 2dm0 s ARG 21 CO 0.02 -0.26 0.67 -1.71 -1.08 0.00 0.00 175.30 172.93 2dm0 n ASN 22 N -1.95 -5.11 -4.16 -2.89 5.15 -1.26 -5.01 115.26 100.03 2dm0 n ASN 22 Ca 0.04 -0.31 -0.23 0.00 -0.60 0.00 0.00 54.58 53.48 2dm0 n ASN 22 Cb 0.59 -3.83 -0.09 0.00 -0.53 0.00 0.00 39.78 35.91 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 -3.12 0.65 0.49 -1.44 -4.36 -1.26 -5.15 121.20 107.00 2dm0 s ILE 23 Ca 0.33 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 2dm0 s ILE 23 Cb -0.15 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 2dm0 s ILE 23 CO 0.41 0.00 0.10 0.42 0.24 0.00 0.00 174.94 176.11 2dm0 s THR 24 N -3.34 1.52 0.48 8.37 -4.23 -1.26 -4.87 115.64 112.31 2dm0 s THR 24 Ca 0.30 -1.87 0.15 0.00 -1.18 0.00 0.00 61.69 59.09 2dm0 s THR 24 Cb 0.05 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.80 2dm0 s THR 24 CO 0.15 0.00 2.09 -0.09 -0.54 0.00 0.00 174.62 176.23 2dm0 h ARG 25 N 1.31 0.18 -0.03 3.99 9.65 -2.01 -1.89 114.38 125.58 2dm0 h ARG 25 Ca -0.42 -0.01 -0.24 0.00 -1.10 0.00 0.00 59.98 58.21 2dm0 h ARG 25 Cb 1.29 -0.04 0.02 0.00 -1.39 0.00 0.00 29.97 29.85 2dm0 h ARG 25 CO 0.72 0.12 -0.90 -0.91 2.80 0.00 0.00 179.97 181.80 2dm0 h ASN 26 N 0.19 0.84 0.09 -3.80 4.21 -2.01 -3.26 115.58 111.85 2dm0 h ASN 26 Ca 0.11 -0.72 0.01 0.00 1.21 0.00 0.00 56.30 56.91 2dm0 h ASN 26 Cb 0.19 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 2dm0 h ASN 26 CO -0.02 1.45 -0.15 1.56 -1.29 0.00 0.00 177.43 178.98 2dm0 h GLN 27 N 0.32 -0.29 -0.32 0.81 1.08 -1.75 -1.20 115.11 113.77 2dm0 h GLN 27 Ca -0.10 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2dm0 h GLN 27 Cb 1.56 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.99 2dm0 h GLN 27 CO 0.18 -0.19 -0.46 0.00 -0.95 0.00 0.00 178.83 177.41 2dm0 h ALA 28 N 0.57 -0.71 0.31 3.87 0.00 -1.53 -1.02 119.26 120.75 2dm0 h ALA 28 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dm0 h ALA 28 Cb 0.31 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2dm0 h ALA 28 CO -0.08 -0.92 -0.51 0.93 0.00 0.00 0.00 179.25 178.67 2dm0 h GLU 29 N -0.34 -0.84 -0.92 0.00 5.08 -1.58 -2.45 114.58 113.53 2dm0 h GLU 29 Ca 0.06 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.63 2dm0 h GLU 29 Cb 0.49 0.19 -0.16 0.00 0.50 0.00 0.00 28.75 29.78 2dm0 h GLU 29 CO -0.48 -0.56 -0.32 1.58 -1.00 0.00 0.00 179.01 178.24 2dm0 n HIS 30 N -5.52 0.13 -0.02 4.33 -0.00 -0.46 0.21 115.22 113.88 2dm0 n HIS 30 Ca -0.10 1.13 -0.09 0.00 0.46 0.00 0.00 57.72 59.12 2dm0 n HIS 30 Cb 0.44 -0.91 -0.02 0.00 -0.12 0.00 0.00 29.99 29.37 2dm0 n HIS 30 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2dm0 h LEU 31 N 0.00 -0.64 -0.47 0.27 3.38 -0.75 -2.03 115.31 115.06 2dm0 h LEU 31 Ca 0.36 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.49 2dm0 h LEU 31 Cb 0.59 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2dm0 h LEU 31 CO -0.93 -0.25 0.23 -0.07 0.09 0.00 0.00 178.44 177.51 2dm0 h LEU 32 N -0.24 0.32 -0.66 1.67 3.38 0.15 -2.52 115.31 117.41 2dm0 h LEU 32 Ca 0.11 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.25 2dm0 h LEU 32 Cb 0.41 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.01 2dm0 h LEU 32 CO -0.31 0.22 -0.16 0.03 0.09 0.00 0.00 178.44 178.31 2dm0 h ARG 33 N 0.45 0.00 -0.92 1.13 2.47 -0.10 0.20 114.38 117.61 2dm0 h ARG 33 Ca 0.21 -0.00 0.22 0.00 -1.26 0.00 0.00 59.98 59.15 2dm0 h ARG 33 Cb 0.13 -0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.33 2dm0 h ARG 33 CO -0.16 0.00 0.46 1.96 0.56 0.00 0.00 179.97 182.79 2dm0 h GLN 34 N 0.00 0.47 0.43 0.04 4.20 -1.02 -2.53 115.11 116.70 2dm0 h GLN 34 Ca 0.32 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 2dm0 h GLN 34 Cb 0.48 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2dm0 h GLN 34 CO -0.68 0.31 -0.21 0.93 -0.67 0.00 0.00 178.83 178.52 2dm0 h GLU 35 N 0.48 -0.55 -3.64 1.46 4.39 -0.63 -3.48 114.58 112.61 2dm0 h GLU 35 Ca 0.57 0.04 -0.19 0.00 0.34 0.00 0.00 59.36 60.12 2dm0 h GLU 35 Cb 1.06 0.13 0.08 0.00 -0.10 0.00 0.00 28.75 29.92 2dm0 h GLU 35 CO -0.49 -0.37 -0.37 0.43 -1.16 0.00 0.00 179.01 177.05 2dm0 n SER 36 N -3.87 -3.23 -3.68 1.42 7.64 -0.90 -5.04 113.62 105.96 2dm0 n SER 36 Ca -0.07 -0.29 -0.10 0.00 1.01 0.00 0.00 58.87 59.42 2dm0 n SER 36 Cb 0.23 -2.83 -0.10 0.00 -1.01 0.00 0.00 64.21 60.50 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 -5.22 0.37 0.21 1.43 -2.85 -1.26 -5.09 119.74 107.33 2dm0 s LYS 37 Ca 0.16 0.89 -0.30 0.00 -1.00 0.00 0.00 55.97 55.72 2dm0 s LYS 37 Cb -0.07 0.11 -0.16 0.00 -2.06 0.00 0.00 37.83 35.65 2dm0 s LYS 37 CO 0.37 -0.19 0.84 -1.91 0.10 0.00 0.00 175.35 174.56 2dm0 n GLU 38 N 4.70 0.67 0.00 1.78 0.00 -1.26 -2.63 120.64 123.89 2dm0 n GLU 38 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2dm0 n GLU 38 Cb 0.53 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.48 2dm0 n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dm0 n GLY 39 N 1.71 3.22 3.43 8.31 0.00 -0.92 -4.62 105.19 116.31 2dm0 n GLY 39 Ca 0.15 -0.98 -0.62 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.29 -2.27 4.61 0.00 -1.08 -3.73 120.51 116.75 2dm0 n ALA 40 Ca 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.79 2dm0 n ALA 40 Cb 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 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 2.70 1.03 0.16 0.00 -0.71 -1.20 0.73 117.98 120.69 2dm0 s PHE 41 Ca 0.96 -1.29 -0.25 0.00 -1.04 0.00 0.00 56.93 55.31 2dm0 s PHE 41 Cb -1.37 -0.48 0.06 0.00 -1.21 0.00 0.00 43.02 40.02 2dm0 s PHE 41 CO 0.75 -0.64 0.87 0.96 -1.34 0.00 0.00 175.22 175.82 2dm0 s ILE 42 N -4.12 0.00 -0.01 -4.49 -4.36 -1.18 -3.23 121.20 103.81 2dm0 s ILE 42 Ca 0.35 -0.58 0.02 0.00 -0.26 0.00 0.00 60.65 60.17 2dm0 s ILE 42 Cb 0.06 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 42.01 2dm0 s ILE 42 CO 0.10 0.00 -0.06 -0.69 0.24 0.00 0.00 174.94 174.52 2dm0 s VAL 43 N -3.43 0.53 0.32 8.37 1.01 -0.01 -2.75 120.40 124.45 2dm0 s VAL 43 Ca 0.10 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2dm0 s VAL 43 Cb -0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2dm0 s VAL 43 CO 0.00 0.16 0.14 0.00 0.00 0.00 0.00 175.10 175.41 2dm0 s ARG 44 N 0.05 1.66 -0.14 2.72 1.70 -1.14 0.48 118.95 124.28 2dm0 s ARG 44 Ca -0.00 -1.96 -0.12 0.00 -0.47 0.00 0.00 55.73 53.18 2dm0 s ARG 44 Cb -0.05 -0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.02 2dm0 s ARG 44 CO -0.00 -0.43 0.26 0.16 -1.08 0.00 0.00 175.30 174.21 2dm0 s ASP 45 N -3.43 6.44 -1.22 -2.89 -4.77 -1.26 -3.46 116.67 106.09 2dm0 s ASP 45 Ca 0.34 0.51 -0.09 0.00 -3.30 0.00 0.00 52.55 50.00 2dm0 s ASP 45 Cb 0.05 -2.16 0.20 0.00 -1.09 0.00 0.00 42.92 39.92 2dm0 s ASP 45 CO 0.17 0.19 1.66 -1.20 0.70 0.00 0.00 175.17 176.68 2dm0 n SER 46 N 3.10 5.40 -0.42 2.11 7.64 0.14 -4.82 113.62 126.77 2dm0 n SER 46 Ca -0.14 -3.14 0.37 0.00 1.01 0.00 0.00 58.87 56.97 2dm0 n SER 46 Cb 0.52 -1.45 0.56 0.00 -1.01 0.00 0.00 64.21 62.83 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 3.68 0.01 0.34 1.43 0.63 -1.26 -0.08 116.66 121.40 2dm0 n ARG 47 Ca 0.35 0.93 -0.17 0.00 -0.92 0.00 0.00 57.85 58.04 2dm0 n ARG 47 Cb 0.37 -2.22 -0.09 0.00 0.45 0.00 0.00 32.46 30.97 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 -1.22 -0.91 -0.14 -0.00 -1.95 -3.35 115.15 107.58 2dm0 h HIS 48 Ca 0.64 -0.00 -0.40 0.00 -0.00 0.00 0.00 60.37 60.61 2dm0 h HIS 48 Cb 2.99 0.45 -0.41 0.00 -0.00 0.00 0.00 27.41 30.44 2dm0 h HIS 48 CO 0.00 -0.64 -1.02 -0.11 -0.00 0.00 0.00 177.93 176.16 2dm0 n LEU 49 N -5.22 2.68 -2.56 0.26 -0.00 0.89 -4.96 117.00 108.10 2dm0 n LEU 49 Ca -0.12 -3.99 -0.06 0.00 -0.00 0.00 0.00 56.01 51.84 2dm0 n LEU 49 Cb 0.44 0.14 -0.01 0.00 -0.00 0.00 0.00 43.42 43.99 2dm0 n LEU 49 CO 0.28 1.64 -0.02 0.61 -0.00 0.00 0.00 177.39 179.90 2dm0 n GLY 50 N -0.39 -0.43 2.97 -3.96 0.00 0.89 -4.86 105.19 99.41 2dm0 n GLY 50 Ca 0.20 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.44 1.02 -3.99 1.61 7.64 -1.17 -4.75 113.62 112.54 2dm0 n SER 51 Ca 0.02 -1.87 -0.22 0.00 1.01 0.00 0.00 58.87 57.81 2dm0 n SER 51 Cb 0.44 -0.50 -0.16 0.00 -1.01 0.00 0.00 64.21 62.98 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 -2.32 1.15 -0.02 1.43 1.51 -1.26 0.27 117.35 118.12 2dm0 s TYR 52 Ca 0.51 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 56.27 2dm0 s TYR 52 Cb -0.03 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 2dm0 s TYR 52 CO 0.34 -0.20 -0.23 0.99 -1.11 0.00 0.00 175.55 175.34 2dm0 s THR 53 N 0.56 2.32 -0.19 -0.71 2.01 -1.22 0.01 115.64 118.41 2dm0 s THR 53 Ca -0.10 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 2dm0 s THR 53 Cb -0.13 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.54 2dm0 s THR 53 CO 0.02 0.55 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.73 2dm0 s ILE 54 N -0.67 2.56 -0.44 1.82 1.01 -0.12 -2.89 121.20 122.47 2dm0 s ILE 54 Ca 0.11 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 2dm0 s ILE 54 Cb -0.10 -2.12 0.07 0.00 0.01 0.00 0.00 42.46 40.33 2dm0 s ILE 54 CO -0.00 0.50 0.31 -0.44 0.00 0.00 0.00 174.94 175.30 2dm0 s SER 55 N 1.35 5.83 0.04 3.58 0.01 -1.11 -0.76 113.70 122.64 2dm0 s SER 55 Ca 0.05 -1.41 -0.03 0.00 1.31 0.00 0.00 55.95 55.87 2dm0 s SER 55 Cb -0.13 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2dm0 s SER 55 CO -0.09 -0.57 0.24 -0.69 0.41 0.00 0.00 173.24 172.54 2dm0 s VAL 56 N 1.51 5.35 -0.40 3.43 1.01 -0.91 -3.07 120.40 127.31 2dm0 s VAL 56 Ca 0.03 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 2dm0 s VAL 56 Cb -0.23 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2dm0 s VAL 56 CO 0.04 0.24 0.59 0.12 0.00 0.00 0.00 175.10 176.09 2dm0 s PHE 57 N -1.42 3.12 -0.16 5.22 5.36 0.23 -1.05 117.98 129.28 2dm0 s PHE 57 Ca 0.32 0.03 -0.26 0.00 -0.96 0.00 0.00 56.93 56.05 2dm0 s PHE 57 Cb -0.13 -3.16 -0.24 0.00 -0.34 0.00 0.00 43.02 39.15 2dm0 s PHE 57 CO 0.22 -0.73 0.59 0.52 -1.46 0.00 0.00 175.22 174.35 2dm0 h MET 58 N 8.70 0.02 -0.29 10.12 2.86 0.05 -2.45 114.93 133.94 2dm0 h MET 58 Ca -0.26 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2dm0 h MET 58 Cb 1.11 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2dm0 h MET 58 CO 0.84 1.02 0.00 0.41 1.06 0.00 0.00 176.91 180.24 2dm0 n GLY 59 N 1.56 -1.03 3.30 8.32 0.00 -0.69 -4.51 105.19 112.14 2dm0 n GLY 59 Ca -0.18 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 1.38 -3.61 -0.23 4.61 0.00 -1.23 -4.66 120.51 116.78 2dm0 n ALA 60 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.04 2dm0 n ALA 60 Cb 0.00 -1.64 0.12 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.78 0.54 -5.20 0.00 2.47 -1.96 -3.44 114.38 104.01 2dm0 h ARG 61 Ca -0.52 -0.03 -0.65 0.00 -1.26 0.00 0.00 59.98 57.52 2dm0 h ARG 61 Cb 1.28 -0.12 -0.13 0.00 -1.65 0.00 0.00 29.97 29.35 2dm0 h ARG 61 CO 0.37 0.36 -0.52 1.03 0.56 0.00 0.00 179.97 181.77 2dm0 s ARG 62 N -6.08 2.11 -0.07 0.04 1.81 -1.26 -5.02 118.95 110.49 2dm0 s ARG 62 Ca -0.13 -2.33 -0.01 0.00 -1.72 0.00 0.00 55.73 51.55 2dm0 s ARG 62 Cb 0.17 -1.33 -0.01 0.00 -0.45 0.00 0.00 34.95 33.33 2dm0 s ARG 62 CO 0.76 -0.36 2.29 0.43 -0.68 0.00 0.00 175.30 177.74 2dm0 n SER 63 N -1.24 5.56 -0.00 0.23 7.64 -1.26 -3.51 113.62 121.03 2dm0 n SER 63 Ca -0.15 -2.56 0.02 0.00 1.01 0.00 0.00 58.87 57.19 2dm0 n SER 63 Cb 0.67 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 2dm0 n SER 63 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2dm0 n THR 64 N 1.45 0.00 -4.22 0.44 -2.24 -1.26 -5.07 114.28 103.38 2dm0 n THR 64 Ca 0.14 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 2dm0 n THR 64 Cb 0.58 0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 69.11 2dm0 n THR 64 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2dm0 s GLU 65 N -2.29 1.39 0.19 -0.78 2.02 -1.23 -5.13 118.70 112.87 2dm0 s GLU 65 Ca -0.02 -1.74 0.11 0.00 0.02 0.00 0.00 54.97 53.35 2dm0 s GLU 65 Cb 0.03 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 2dm0 s GLU 65 CO 0.17 -0.48 -0.22 0.00 0.02 0.00 0.00 175.26 174.75 2dm0 s ALA 66 N -3.93 2.44 -0.04 5.21 0.00 -1.26 -3.50 121.76 120.69 2dm0 s ALA 66 Ca 0.39 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 2dm0 s ALA 66 Cb 0.05 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2dm0 s ALA 66 CO 0.17 0.38 0.04 0.00 0.00 0.00 0.00 175.76 176.34 2dm0 s ALA 67 N -1.82 0.25 -0.06 0.00 0.00 -1.26 -4.46 121.76 114.41 2dm0 s ALA 67 Ca 0.20 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2dm0 s ALA 67 Cb -0.07 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2dm0 s ALA 67 CO 0.10 -0.33 -0.05 0.42 0.00 0.00 0.00 175.76 175.90 2dm0 s ILE 68 N 1.69 0.64 0.20 0.00 1.01 -1.26 0.80 121.20 124.28 2dm0 s ILE 68 Ca -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.54 2dm0 s ILE 68 Cb -0.13 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2dm0 s ILE 68 CO -0.03 0.26 0.23 -0.54 0.00 0.00 0.00 174.94 174.86 2dm0 s LYS 69 N 1.07 3.13 -0.23 2.79 3.01 -0.21 -4.94 119.74 124.36 2dm0 s LYS 69 Ca -0.08 -0.84 0.02 0.00 -1.01 0.00 0.00 55.97 54.05 2dm0 s LYS 69 Cb -0.14 -2.74 0.05 0.00 -1.01 0.00 0.00 37.83 33.99 2dm0 s LYS 69 CO -0.01 0.46 -0.10 -1.01 0.51 0.00 0.00 175.35 175.20 2dm0 s HIS 70 N -1.90 2.75 -0.37 3.18 3.76 -1.26 -2.15 115.29 119.30 2dm0 s HIS 70 Ca 0.33 -1.90 -0.08 0.00 -0.15 0.00 0.00 55.06 53.26 2dm0 s HIS 70 Cb -0.09 -1.75 0.05 0.00 1.11 0.00 0.00 32.58 31.89 2dm0 s HIS 70 CO 0.26 -0.81 0.17 0.71 -0.85 0.00 0.00 174.74 174.23 2dm0 s TYR 71 N 1.28 3.29 0.03 1.40 2.02 0.06 -4.95 117.35 120.48 2dm0 s TYR 71 Ca -0.05 -1.42 -0.30 0.00 -0.37 0.00 0.00 57.07 54.94 2dm0 s TYR 71 Cb -0.18 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.79 2dm0 s TYR 71 CO -0.07 -0.76 1.00 -1.14 -1.57 0.00 0.00 175.55 173.01 2dm0 s GLN 72 N 1.42 4.57 -0.42 -0.62 0.74 -1.26 -0.95 119.66 123.15 2dm0 s GLN 72 Ca 0.01 1.47 -0.25 0.00 0.05 0.00 0.00 55.36 56.64 2dm0 s GLN 72 Cb -0.21 -3.43 0.02 0.00 1.10 0.00 0.00 33.01 30.50 2dm0 s GLN 72 CO 0.03 -0.02 0.89 0.42 -0.55 0.00 0.00 175.29 176.06 2dm0 s ILE 73 N 0.81 4.56 0.52 -2.34 1.01 0.10 -4.77 121.20 121.08 2dm0 s ILE 73 Ca 0.52 0.87 0.09 0.00 0.00 0.00 0.00 60.65 62.12 2dm0 s ILE 73 Cb -0.22 -4.36 0.05 0.00 0.01 0.00 0.00 42.46 37.94 2dm0 s ILE 73 CO 0.29 -0.68 0.65 -0.54 0.00 0.00 0.00 174.94 174.66 2dm0 s LYS 74 N 3.54 2.43 -0.00 2.79 3.01 -1.02 -4.28 119.74 126.21 2dm0 s LYS 74 Ca 0.36 -1.60 0.05 0.00 -1.01 0.00 0.00 55.97 53.77 2dm0 s LYS 74 Cb -0.11 -2.57 -0.01 0.00 -1.01 0.00 0.00 37.83 34.13 2dm0 s LYS 74 CO 0.22 -0.64 -0.17 0.21 0.51 0.00 0.00 175.35 175.49 2dm0 s LYS 75 N -4.49 1.30 0.69 1.68 2.20 -1.26 -1.97 119.74 117.88 2dm0 s LYS 75 Ca 0.55 -0.63 0.04 0.00 -0.36 0.00 0.00 55.97 55.56 2dm0 s LYS 75 Cb -0.06 -1.27 0.13 0.00 -1.51 0.00 0.00 37.83 35.12 2dm0 s LYS 75 CO 0.34 0.34 0.95 0.27 -0.36 0.00 0.00 175.35 176.90 2dm0 n ASN 76 N 2.53 1.69 -0.13 1.43 0.23 -0.97 -4.89 115.26 115.16 2dm0 n ASN 76 Ca -0.15 -2.33 0.22 0.00 -0.53 0.00 0.00 54.58 51.78 2dm0 n ASN 76 Cb 0.54 -0.58 0.64 0.00 -2.08 0.00 0.00 39.78 38.30 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 -0.34 0.14 -0.04 0.53 3.32 -2.01 0.49 116.42 118.50 2dm0 h ASP 77 Ca -0.32 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2dm0 h ASP 77 Cb 1.27 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2dm0 h ASP 77 CO 0.38 0.06 0.00 -1.20 -1.72 0.00 0.00 179.24 176.76 2dm0 n SER 78 N -4.38 1.07 -3.79 6.45 7.64 -1.26 -4.84 113.62 114.50 2dm0 n SER 78 Ca 0.15 -2.05 -0.29 0.00 1.01 0.00 0.00 58.87 57.69 2dm0 n SER 78 Cb 0.72 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.17 -0.47 3.61 0.23 0.00 0.17 -4.94 105.19 103.96 2dm0 n GLY 79 Ca 0.02 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2dm0 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dm0 s GLN 80 N -6.47 2.64 0.33 1.61 -0.21 -1.25 -4.87 119.66 111.43 2dm0 s GLN 80 Ca 0.58 -0.66 -0.26 0.00 0.02 0.00 0.00 55.36 55.03 2dm0 s GLN 80 Cb -0.31 -2.55 -0.10 0.00 1.00 0.00 0.00 33.01 31.05 2dm0 s GLN 80 CO 0.71 0.62 0.94 -1.58 -2.12 0.00 0.00 175.29 173.86 2dm0 s TRP 81 N -0.98 3.67 -0.18 0.91 0.52 -1.18 -2.28 118.94 119.42 2dm0 s TRP 81 Ca 0.17 1.77 -0.25 0.00 0.02 0.00 0.00 56.10 57.80 2dm0 s TRP 81 Cb -0.11 -2.92 0.07 0.00 -1.15 0.00 0.00 33.47 29.36 2dm0 s TRP 81 CO 0.07 0.19 0.66 1.52 0.02 0.00 0.00 176.95 179.41 2dm0 s TYR 82 N -1.65 -0.70 -0.17 -1.98 -0.85 -0.83 -0.74 117.35 110.44 2dm0 s TYR 82 Ca 0.51 1.55 -0.04 0.00 -0.52 0.00 0.00 57.07 58.56 2dm0 s TYR 82 Cb -0.18 0.29 -0.09 0.00 0.38 0.00 0.00 41.96 42.37 2dm0 s TYR 82 CO 0.23 -0.43 -0.19 0.28 -1.52 0.00 0.00 175.55 173.92 2dm0 n VAL 83 N 2.12 0.94 1.43 -3.49 0.31 -1.26 -2.43 118.33 115.94 2dm0 n VAL 83 Ca -0.16 -0.29 0.06 0.00 -0.01 0.00 0.00 64.34 63.94 2dm0 n VAL 83 Cb 0.56 -1.44 0.23 0.00 -0.91 0.00 0.00 33.84 32.28 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 -3.42 2.50 -2.01 3.52 0.00 -1.26 -4.88 120.51 114.96 2dm0 n ALA 84 Ca -0.32 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 2dm0 n ALA 84 Cb 0.77 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 0.00 -1.84 0.00 0.00 2.13 -1.26 -4.65 120.64 115.02 2dm0 n GLU 85 Ca 0.10 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2dm0 n GLU 85 Cb 0.19 -5.12 0.00 0.00 0.27 0.00 0.00 31.44 26.78 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 -2.42 1.07 -4.07 5.31 5.12 -1.26 -5.02 116.66 115.39 2dm0 n ARG 86 Ca -0.14 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.46 2dm0 n ARG 86 Cb 0.53 -0.69 -0.15 0.00 -1.16 0.00 0.00 32.46 30.99 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 -1.38 3.25 -0.03 -1.55 3.76 -1.26 -5.11 115.29 112.97 2dm0 s HIS 87 Ca 0.00 -2.31 -0.04 0.00 -0.15 0.00 0.00 55.06 52.57 2dm0 s HIS 87 Cb 0.00 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2dm0 s HIS 87 CO 0.00 -0.88 0.18 0.00 -0.85 0.00 0.00 174.74 173.19 2dm0 s ALA 88 N 1.11 3.94 0.32 -1.40 0.00 -1.26 -4.38 121.76 120.09 2dm0 s ALA 88 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2dm0 s ALA 88 Cb -0.20 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2dm0 s ALA 88 CO -0.05 0.72 0.01 1.19 0.00 0.00 0.00 175.76 177.63 2dm0 n PHE 89 N 1.12 0.67 -0.02 0.00 3.01 0.09 -4.93 117.46 117.39 2dm0 n PHE 89 Ca -0.12 -1.56 0.06 0.00 1.01 0.00 0.00 57.45 56.84 2dm0 n PHE 89 Cb 0.53 -0.21 -0.13 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 -0.81 0.67 -4.00 -1.08 6.02 -1.26 -3.09 117.38 113.83 2dm0 n GLN 90 Ca -0.13 -0.13 -0.10 0.00 -0.01 0.00 0.00 57.00 56.63 2dm0 n GLN 90 Cb 0.40 -1.41 -0.11 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 -4.18 0.37 0.12 1.08 0.01 -1.26 -4.89 113.70 104.95 2dm0 s SER 91 Ca -0.07 -0.52 -0.20 0.00 1.31 0.00 0.00 55.95 56.47 2dm0 s SER 91 Cb 0.10 0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.36 2dm0 s SER 91 CO 0.71 -0.29 1.73 0.40 0.41 0.00 0.00 173.24 176.20 2dm0 h ILE 92 N 4.57 0.91 0.00 1.44 1.08 -1.97 -1.13 117.51 122.41 2dm0 h ILE 92 Ca -0.33 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2dm0 h ILE 92 Cb 1.21 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2dm0 h ILE 92 CO 0.42 0.01 0.00 -0.81 -0.69 0.00 0.00 178.15 177.08 2dm0 n PRO 93 N -5.11 0.17 -0.02 2.37 -0.04 -1.26 -2.52 135.00 128.60 2dm0 n PRO 93 Ca -0.03 0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2dm0 n PRO 93 Cb 0.08 -1.50 -0.14 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 -1.32 0.69 -0.27 0.54 1.02 -0.47 -3.08 120.64 117.75 2dm0 n GLU 94 Ca 0.06 0.27 -0.04 0.00 -0.02 0.00 0.00 57.16 57.43 2dm0 n GLU 94 Cb 0.13 -1.74 0.11 0.00 -0.02 0.00 0.00 31.44 29.91 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2dm0 h LEU 95 N 0.03 1.04 0.00 -4.62 6.46 -1.14 -2.25 115.31 114.83 2dm0 h LEU 95 Ca -0.36 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2dm0 h LEU 95 Cb 2.03 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.69 2dm0 h LEU 95 CO 0.08 0.90 -0.37 0.40 -0.62 0.00 0.00 178.44 178.83 2dm0 h ILE 96 N 1.11 0.00 -0.90 4.05 1.08 -1.72 -3.22 117.51 117.91 2dm0 h ILE 96 Ca 0.26 -0.55 0.10 0.00 -0.39 0.00 0.00 64.86 64.28 2dm0 h ILE 96 Cb 0.17 1.31 -0.07 0.00 -3.07 0.00 0.00 36.82 35.16 2dm0 h ILE 96 CO -0.03 0.00 0.58 -0.25 -0.69 0.00 0.00 178.15 177.77 2dm0 h TRP 97 N 0.00 0.98 0.00 1.37 -0.00 -1.33 -2.49 115.95 114.48 2dm0 h TRP 97 Ca 0.00 0.03 -0.22 0.00 -0.00 0.00 0.00 58.89 58.69 2dm0 h TRP 97 Cb 0.77 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 29.58 2dm0 h TRP 97 CO 0.00 0.45 -1.36 0.98 -0.00 0.00 0.00 178.44 178.51 2dm0 n TYR 98 N -4.53 0.76 -0.28 2.65 9.36 -1.24 -4.33 117.16 119.54 2dm0 n TYR 98 Ca 0.15 0.33 0.17 0.00 3.32 0.00 0.00 57.90 61.87 2dm0 n TYR 98 Cb 0.30 -0.99 0.32 0.00 -0.63 0.00 0.00 39.34 38.34 2dm0 n TYR 98 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2dm0 n HIS 99 N -4.43 0.67 -0.16 2.98 8.25 -1.21 0.13 115.22 121.45 2dm0 n HIS 99 Ca -0.31 0.99 -0.03 0.00 -0.26 0.00 0.00 57.72 58.11 2dm0 n HIS 99 Cb 0.64 -1.21 0.05 0.00 1.12 0.00 0.00 29.99 30.59 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 0.04 -0.04 -0.41 4.20 -1.64 -2.50 115.11 114.77 2dm0 h GLN 100 Ca 0.57 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.23 2dm0 h GLN 100 Cb 1.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2dm0 h GLN 100 CO -0.73 0.03 -0.14 1.25 -0.67 0.00 0.00 178.83 178.57 2dm0 h HIS 101 N 0.04 0.22 -3.20 2.96 2.76 0.86 -3.41 115.15 115.38 2dm0 h HIS 101 Ca 0.25 -0.09 -0.25 0.00 -2.20 0.00 0.00 60.37 58.08 2dm0 h HIS 101 Cb 0.38 -0.04 -0.32 0.00 1.55 0.00 0.00 27.41 28.98 2dm0 h HIS 101 CO -0.38 0.76 -0.59 -0.80 -1.30 0.00 0.00 177.93 175.62 2dm0 s ASN 102 N -6.09 0.01 -0.64 3.26 0.01 -0.17 -5.06 114.94 106.26 2dm0 s ASN 102 Ca -0.16 0.33 -0.26 0.00 -0.71 0.00 0.00 52.86 52.07 2dm0 s ASN 102 Cb 0.02 0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 2dm0 s ASN 102 CO 0.72 -0.17 2.02 0.00 -1.51 0.00 0.00 177.10 178.17 2dm0 s ALA 103 N 1.37 1.89 -1.17 0.60 0.00 -1.18 -3.44 121.76 119.84 2dm0 s ALA 103 Ca -0.07 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 2dm0 s ALA 103 Cb -0.12 -4.37 0.09 0.00 0.00 0.00 0.00 23.12 18.73 2dm0 s ALA 103 CO -0.06 -4.28 1.53 0.00 0.00 0.00 0.00 175.76 172.94 2dm0 s ALA 104 N 10.24 3.32 0.00 0.00 0.00 -1.26 -4.18 121.76 129.88 2dm0 s ALA 104 Ca 0.76 -2.83 0.00 0.00 0.00 0.00 0.00 51.96 49.88 2dm0 s ALA 104 Cb -0.13 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.56 2dm0 s ALA 104 CO 0.18 -3.23 0.00 0.41 0.00 0.00 0.00 175.76 173.12 2dm0 n GLY 105 N 5.50 3.30 3.78 0.00 0.00 -1.26 -4.73 105.19 111.78 2dm0 n GLY 105 Ca 0.39 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 2dm0 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm0 s LEU 106 N 0.00 4.11 0.12 0.99 1.02 -1.26 -4.96 118.68 118.70 2dm0 s LEU 106 Ca 0.00 2.14 -0.12 0.00 0.02 0.00 0.00 54.13 56.17 2dm0 s LEU 106 Cb 0.00 -4.19 -0.07 0.00 0.02 0.00 0.00 46.19 41.95 2dm0 s LEU 106 CO 0.00 -0.63 1.43 0.24 0.02 0.00 0.00 176.35 177.41 2dm0 h MET 107 N 2.38 0.86 -6.07 1.70 2.86 -1.98 -3.44 114.93 111.23 2dm0 h MET 107 Ca -0.49 -0.49 -0.60 0.00 -2.06 0.00 0.00 59.70 56.07 2dm0 h MET 107 Cb 1.23 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.88 2dm0 h MET 107 CO 0.62 1.13 -0.26 0.99 1.06 0.00 0.00 176.91 180.45 2dm0 s THR 108 N -4.27 5.11 0.04 2.22 2.01 -1.26 -5.00 115.64 114.49 2dm0 s THR 108 Ca -0.11 0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.38 2dm0 s THR 108 Cb 0.10 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2dm0 s THR 108 CO 0.87 0.33 -0.03 -0.60 -0.69 0.00 0.00 174.62 174.50 2dm0 s ARG 109 N -1.81 2.56 -0.13 4.92 3.52 -1.26 -4.81 118.95 121.93 2dm0 s ARG 109 Ca 0.31 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.85 2dm0 s ARG 109 Cb -0.14 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 2dm0 s ARG 109 CO 0.17 0.58 1.67 -0.51 -0.81 0.00 0.00 175.30 176.40 2dm0 s LEU 110 N -1.84 4.09 -0.12 -0.88 1.43 -1.26 -4.39 118.68 115.70 2dm0 s LEU 110 Ca 0.21 1.95 -0.09 0.00 -1.03 0.00 0.00 54.13 55.17 2dm0 s LEU 110 Cb -0.11 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 2dm0 s LEU 110 CO 0.13 -1.13 -0.20 0.54 0.23 0.00 0.00 176.35 175.91 2dm0 n ARG 111 N 7.46 0.32 -3.55 1.70 1.74 -1.24 -4.79 116.66 118.30 2dm0 n ARG 111 Ca 0.19 0.14 -0.41 0.00 -0.77 0.00 0.00 57.85 56.99 2dm0 n ARG 111 Cb 0.44 -1.05 -0.07 0.00 -1.02 0.00 0.00 32.46 30.77 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 -2.37 3.54 -1.19 -1.55 1.51 -1.26 -4.97 117.35 111.07 2dm0 s TYR 112 Ca -0.20 -2.31 -0.23 0.00 -1.01 0.00 0.00 57.07 53.32 2dm0 s TYR 112 Cb 0.06 -3.48 -0.09 0.00 -0.11 0.00 0.00 41.96 38.34 2dm0 s TYR 112 CO 0.27 -0.92 1.94 -0.35 -1.11 0.00 0.00 175.55 175.37 2dm0 n PRO 113 N 3.89 1.60 -1.63 -1.71 -0.04 -1.26 -3.26 135.00 132.58 2dm0 n PRO 113 Ca 0.07 -2.47 -0.54 0.00 -0.04 0.00 0.00 63.50 60.53 2dm0 n PRO 113 Cb 0.42 -3.73 -0.07 0.00 -0.04 0.00 0.00 33.50 30.08 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 7.80 0.35 -3.29 0.52 0.31 -1.20 -4.64 118.33 118.17 2dm0 n VAL 114 Ca 0.45 -0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.47 2dm0 n VAL 114 Cb 0.46 -1.49 -0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 4.65 2.03 0.11 2.92 0.00 -1.26 -4.01 107.32 111.76 2dm0 s GLY 115 Ca 1.00 -1.79 -0.21 0.00 0.00 0.00 0.00 44.72 43.73 2dm0 s GLY 115 CO 0.58 -1.62 1.09 1.04 0.00 0.00 0.00 173.10 174.19 2dm0 n LEU 116 N -1.75 -0.71 -4.56 0.66 4.32 -0.81 -3.36 117.00 110.79 2dm0 n LEU 116 Ca 0.06 1.25 -0.18 0.00 -0.02 0.00 0.00 56.01 57.13 2dm0 n LEU 116 Cb 0.61 -0.18 -0.06 0.00 -1.62 0.00 0.00 43.42 42.16 2dm0 n LEU 116 CO 0.41 -1.00 1.25 -0.04 -1.22 0.00 0.00 177.39 176.79 2dm0 s MET 117 N -5.17 1.89 -0.34 3.23 -1.94 -1.26 -4.46 119.30 111.25 2dm0 s MET 117 Ca -0.08 0.22 0.05 0.00 -1.71 0.00 0.00 55.69 54.17 2dm0 s MET 117 Cb 0.07 -4.88 0.19 0.00 2.01 0.00 0.00 34.83 32.23 2dm0 s MET 117 CO 0.41 -4.13 1.17 0.41 -0.01 0.00 0.00 175.02 172.87 2dm0 n GLY 118 N 6.82 0.11 3.59 -0.03 0.00 -1.21 -5.03 105.19 109.44 2dm0 n GLY 118 Ca 0.45 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 2dm0 n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm0 s SER 119 N -0.58 4.03 0.67 1.61 1.04 -1.26 -4.88 113.70 114.31 2dm0 s SER 119 Ca 0.10 -1.03 -0.13 0.00 0.48 0.00 0.00 55.95 55.37 2dm0 s SER 119 Cb 0.20 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2dm0 s SER 119 CO -0.05 -0.19 1.08 -0.44 0.98 0.00 0.00 173.24 174.62 2dm0 s SER 120 N -3.67 5.26 0.00 7.02 0.01 -1.26 -3.77 113.70 117.29 2dm0 s SER 120 Ca 0.34 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2dm0 s SER 120 Cb -0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2dm0 s SER 120 CO 0.18 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.92 2dm0 n GLY 121 N -1.15 4.50 0.15 3.44 0.00 -1.10 -4.74 105.19 106.28 2dm0 n GLY 121 Ca 0.09 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.49 2dm0 n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm0 h PRO 122 N 0.00 0.00 0.00 1.61 0.13 -2.03 -3.19 132.00 128.52 2dm0 h PRO 122 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dm0 h PRO 122 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dm0 h PRO 122 CO 0.00 0.00 -0.98 -1.13 -0.23 0.00 0.00 178.00 175.66 2dm0 n SER 123 N -2.35 4.92 -3.99 1.44 3.41 -1.26 -4.95 113.62 110.85 2dm0 n SER 123 Ca 0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.32 2dm0 n SER 123 Cb 0.23 0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 64.81 2dm0 n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dm0 s SER 124 N -2.39 4.59 0.00 4.04 0.15 -1.20 -5.22 113.70 113.67 2dm0 s SER 124 Ca 0.00 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 54.71 2dm0 s SER 124 Cb 0.00 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 2dm0 s SER 124 CO 0.00 -0.35 0.38 0.61 1.20 0.00 0.00 173.24 175.09