#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 2.16 -0.07 1.61 0.15 -1.26 -5.12 113.70 111.17 2dm0 s SER 2 Ca 0.00 -0.55 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 2dm0 s SER 2 Cb 0.00 -0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 2dm0 s SER 2 CO 0.00 -0.35 -0.02 -0.55 1.20 0.00 0.00 173.24 173.52 2dm0 s SER 3 N 2.18 1.55 0.97 5.45 0.15 -1.26 -5.15 113.70 117.59 2dm0 s SER 3 Ca 0.03 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.52 2dm0 s SER 3 Cb -0.16 -0.50 0.06 0.00 -1.71 0.00 0.00 66.02 63.71 2dm0 s SER 3 CO -0.10 -0.16 0.12 0.61 1.20 0.00 0.00 173.24 174.91 2dm0 n GLY 4 N 4.91 -3.34 3.53 9.45 0.00 -1.26 -5.06 105.19 113.42 2dm0 n GLY 4 Ca -0.11 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 2dm0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm0 s SER 5 N -2.04 2.89 -0.25 1.61 0.01 -1.26 -5.11 113.70 109.55 2dm0 s SER 5 Ca 0.10 -1.55 -0.28 0.00 1.31 0.00 0.00 55.95 55.52 2dm0 s SER 5 Cb -0.02 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.48 2dm0 s SER 5 CO 0.08 -0.78 1.01 -0.44 0.41 0.00 0.00 173.24 173.52 2dm0 s SER 6 N -3.61 7.03 0.00 2.44 0.01 -1.26 -4.86 113.70 113.45 2dm0 s SER 6 Ca 0.26 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.79 2dm0 s SER 6 Cb 0.05 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2dm0 s SER 6 CO 0.13 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2dm0 n GLY 7 N 3.48 -2.29 3.83 3.44 0.00 -1.26 -5.01 105.19 107.38 2dm0 n GLY 7 Ca 0.11 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 2dm0 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm0 s ASN 8 N -1.50 6.92 0.43 1.61 0.01 -1.26 -5.06 114.94 116.08 2dm0 s ASN 8 Ca 0.00 1.38 -0.16 0.00 -0.71 0.00 0.00 52.86 53.36 2dm0 s ASN 8 Cb 0.00 -2.41 -0.09 0.00 0.41 0.00 0.00 41.25 39.16 2dm0 s ASN 8 CO 0.00 -0.11 0.88 -1.59 -1.51 0.00 0.00 177.10 174.77 2dm0 s LYS 9 N -2.55 4.01 0.09 -0.60 -2.85 -1.26 -4.99 119.74 111.59 2dm0 s LYS 9 Ca 0.50 0.85 -0.23 0.00 -1.00 0.00 0.00 55.97 56.10 2dm0 s LYS 9 Cb -0.13 -2.26 -0.14 0.00 -2.06 0.00 0.00 37.83 33.24 2dm0 s LYS 9 CO 0.19 -0.06 1.72 0.82 0.10 0.00 0.00 175.35 178.12 2dm0 h ILE 10 N 1.48 1.03 -2.61 3.79 2.04 -2.03 -3.42 117.51 117.78 2dm0 h ILE 10 Ca -0.48 -0.07 -0.53 0.00 1.00 0.00 0.00 64.86 64.78 2dm0 h ILE 10 Cb 1.18 1.02 0.03 0.00 -0.74 0.00 0.00 36.82 38.31 2dm0 h ILE 10 CO 0.63 0.02 1.05 -0.89 0.00 0.00 0.00 178.15 178.96 2dm0 s THR 11 N -6.09 2.84 -0.20 -0.27 2.01 -1.26 -4.99 115.64 107.68 2dm0 s THR 11 Ca -0.13 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2dm0 s THR 11 Cb 0.06 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.42 2dm0 s THR 11 CO 0.67 -0.00 -0.12 0.20 -0.69 0.00 0.00 174.62 174.67 2dm0 s ASN 12 N 2.60 3.38 -0.07 3.53 -0.87 -1.26 -4.96 114.94 117.29 2dm0 s ASN 12 Ca 0.77 -0.86 0.03 0.00 -1.57 0.00 0.00 52.86 51.23 2dm0 s ASN 12 Cb -0.42 -1.29 -0.06 0.00 -0.02 0.00 0.00 41.25 39.45 2dm0 s ASN 12 CO 0.34 -0.12 -0.03 0.18 -2.57 0.00 0.00 177.10 174.90 2dm0 n LEU 13 N 4.66 1.62 -0.39 0.60 4.77 -1.26 -4.61 117.00 122.39 2dm0 n LEU 13 Ca -0.16 -0.02 0.31 0.00 -0.03 0.00 0.00 56.01 56.11 2dm0 n LEU 13 Cb 0.47 -0.08 0.61 0.00 -2.33 0.00 0.00 43.42 42.09 2dm0 n LEU 13 CO 0.21 0.41 1.25 1.05 -1.33 0.00 0.00 177.39 178.99 2dm0 h GLU 14 N 0.00 0.19 -0.91 3.23 4.11 -1.93 0.55 114.58 119.83 2dm0 h GLU 14 Ca -0.17 -0.01 0.15 0.00 0.07 0.00 0.00 59.36 59.40 2dm0 h GLU 14 Cb 1.32 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.45 2dm0 h GLU 14 CO -0.01 0.13 0.58 -0.84 0.07 0.00 0.00 179.01 178.94 2dm0 h ILE 15 N 0.20 0.81 -2.87 -1.06 3.07 -1.96 -3.42 117.51 112.29 2dm0 h ILE 15 Ca 0.69 -0.23 -0.26 0.00 1.55 0.00 0.00 64.86 66.61 2dm0 h ILE 15 Cb 2.12 0.07 0.12 0.00 -0.27 0.00 0.00 36.82 38.86 2dm0 h ILE 15 CO -0.29 0.12 0.15 -1.22 -1.05 0.00 0.00 178.15 175.87 2dm0 n TYR 16 N -4.57 -3.74 -0.02 0.16 4.01 0.19 -5.04 117.16 108.15 2dm0 n TYR 16 Ca 0.18 -0.67 -0.03 0.00 -0.16 0.00 0.00 57.90 57.22 2dm0 n TYR 16 Cb 0.49 -0.69 -0.02 0.00 -0.31 0.00 0.00 39.34 38.82 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 -3.27 0.27 0.00 -0.72 0.28 -1.26 -4.58 120.64 111.36 2dm0 n GLU 17 Ca 0.10 0.02 0.04 0.00 -0.16 0.00 0.00 57.16 57.16 2dm0 n GLU 17 Cb 0.37 -1.09 0.20 0.00 1.43 0.00 0.00 31.44 32.35 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 -2.61 0.00 -3.21 -1.84 4.27 -1.25 -0.91 117.44 111.89 2dm0 n TRP 18 Ca -0.08 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.08 2dm0 n TRP 18 Cb 0.58 -0.26 -0.01 0.00 -1.36 0.00 0.00 31.31 30.26 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 -2.53 3.90 -0.68 -2.67 5.04 -1.26 -0.21 117.35 118.94 2dm0 s TYR 19 Ca 0.08 -2.32 -0.27 0.00 -2.44 0.00 0.00 57.07 52.12 2dm0 s TYR 19 Cb 0.05 -3.98 0.02 0.00 0.35 0.00 0.00 41.96 38.40 2dm0 s TYR 19 CO 0.12 -1.11 1.41 -1.01 -1.34 0.00 0.00 175.55 173.62 2dm0 s HIS 20 N 0.01 2.17 0.30 4.97 3.76 0.14 -4.81 115.29 121.83 2dm0 s HIS 20 Ca 0.31 0.21 0.05 0.00 -0.15 0.00 0.00 55.06 55.48 2dm0 s HIS 20 Cb -0.08 -4.48 -0.02 0.00 1.11 0.00 0.00 32.58 29.11 2dm0 s HIS 20 CO -0.06 -2.09 0.44 -0.98 -0.85 0.00 0.00 174.74 171.19 2dm0 s ARG 21 N 5.94 3.32 -1.15 1.40 1.70 -1.26 -4.02 118.95 124.88 2dm0 s ARG 21 Ca 0.44 -0.76 -0.05 0.00 -0.47 0.00 0.00 55.73 54.88 2dm0 s ARG 21 Cb -0.09 -2.82 0.01 0.00 -0.57 0.00 0.00 34.95 31.48 2dm0 s ARG 21 CO 0.18 0.24 0.99 0.09 -1.08 0.00 0.00 175.30 175.72 2dm0 n ASN 22 N -1.57 -4.63 -4.15 -2.89 4.13 -1.26 -5.01 115.26 99.87 2dm0 n ASN 22 Ca -0.05 -0.50 -0.22 0.00 1.68 0.00 0.00 54.58 55.49 2dm0 n ASN 22 Cb 0.57 -4.52 -0.09 0.00 -1.54 0.00 0.00 39.78 34.20 2dm0 n ASN 22 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2dm0 s ILE 23 N -3.29 0.63 0.21 2.41 -4.36 -1.26 -5.15 121.20 110.38 2dm0 s ILE 23 Ca 0.35 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 2dm0 s ILE 23 Cb -0.15 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 2dm0 s ILE 23 CO 0.64 0.00 0.02 0.28 0.24 0.00 0.00 174.94 176.12 2dm0 s THR 24 N -3.38 0.76 0.12 8.37 -1.32 -1.26 -4.86 115.64 114.07 2dm0 s THR 24 Ca 0.31 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.59 2dm0 s THR 24 Cb 0.05 -2.28 -0.01 0.00 -1.51 0.00 0.00 72.50 68.75 2dm0 s THR 24 CO 0.16 -0.34 1.10 -1.14 -2.21 0.00 0.00 174.62 172.18 2dm0 n ARG 25 N -0.33 -0.28 -0.19 7.08 0.63 -1.26 0.96 116.66 123.26 2dm0 n ARG 25 Ca -0.05 1.08 -0.03 0.00 -0.92 0.00 0.00 57.85 57.93 2dm0 n ARG 25 Cb 0.64 -1.59 0.04 0.00 0.45 0.00 0.00 32.46 32.00 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2dm0 h ASN 26 N 0.00 -0.77 0.57 6.15 4.21 -1.99 -1.67 115.58 122.07 2dm0 h ASN 26 Ca 0.14 0.20 -0.02 0.00 1.21 0.00 0.00 56.30 57.83 2dm0 h ASN 26 Cb 0.32 0.44 -0.02 0.00 -1.12 0.00 0.00 38.32 37.94 2dm0 h ASN 26 CO -0.68 -0.25 -0.51 1.56 -1.29 0.00 0.00 177.43 176.27 2dm0 h GLN 27 N -0.07 -1.02 -0.64 0.81 1.08 0.21 0.35 115.11 115.82 2dm0 h GLN 27 Ca 0.27 0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.60 2dm0 h GLN 27 Cb 0.49 0.23 -0.08 0.00 -0.05 0.00 0.00 27.48 28.07 2dm0 h GLN 27 CO -0.64 -0.68 -0.45 0.00 -0.95 0.00 0.00 178.83 176.11 2dm0 h ALA 28 N -0.96 -0.50 0.87 3.87 0.00 -0.54 0.13 119.26 122.14 2dm0 h ALA 28 Ca -0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2dm0 h ALA 28 Cb 0.90 1.22 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2dm0 h ALA 28 CO -0.03 -0.79 -0.48 0.93 0.00 0.00 0.00 179.25 178.88 2dm0 h GLU 29 N -0.09 -1.20 -0.88 0.00 5.08 -1.24 -2.85 114.58 113.41 2dm0 h GLU 29 Ca 0.10 0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 2dm0 h GLU 29 Cb 0.36 0.27 -0.14 0.00 0.50 0.00 0.00 28.75 29.74 2dm0 h GLU 29 CO -0.65 -0.80 -0.35 1.58 -1.00 0.00 0.00 179.01 177.79 2dm0 n HIS 30 N -5.52 0.02 -0.14 4.33 -0.00 0.12 0.60 115.22 114.64 2dm0 n HIS 30 Ca -0.15 1.08 -0.04 0.00 0.46 0.00 0.00 57.72 59.07 2dm0 n HIS 30 Cb 0.50 -0.82 0.02 0.00 -0.12 0.00 0.00 29.99 29.57 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 -0.49 -0.29 0.27 3.38 -0.64 -1.59 115.31 115.95 2dm0 h LEU 31 Ca 0.30 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 2dm0 h LEU 31 Cb 0.52 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2dm0 h LEU 31 CO -0.87 -0.17 0.17 -0.07 0.09 0.00 0.00 178.44 177.59 2dm0 h LEU 32 N -0.03 0.36 -1.02 1.67 3.38 0.40 -2.55 115.31 117.51 2dm0 h LEU 32 Ca 0.22 -0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.42 2dm0 h LEU 32 Cb 0.36 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 2dm0 h LEU 32 CO -0.48 0.32 0.59 0.03 0.09 0.00 0.00 178.44 178.99 2dm0 h ARG 33 N 0.37 0.41 -0.57 1.13 2.47 0.21 0.37 114.38 118.77 2dm0 h ARG 33 Ca 0.11 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2dm0 h ARG 33 Cb 0.03 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 2dm0 h ARG 33 CO -0.02 0.27 0.35 1.96 0.56 0.00 0.00 179.97 183.10 2dm0 h GLN 34 N 0.42 0.69 -0.14 0.04 4.20 -1.00 -2.92 115.11 116.40 2dm0 h GLN 34 Ca 0.70 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 59.29 2dm0 h GLN 34 Cb 1.52 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 2dm0 h GLN 34 CO -0.54 0.46 -0.23 0.93 -0.67 0.00 0.00 178.83 178.78 2dm0 h GLU 35 N 0.71 0.40 -6.89 1.46 4.39 -0.40 -3.47 114.58 110.79 2dm0 h GLU 35 Ca 0.22 -0.24 -0.58 0.00 0.34 0.00 0.00 59.36 59.10 2dm0 h GLU 35 Cb -0.02 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 28.48 2dm0 h GLU 35 CO -0.08 0.83 -0.93 -1.13 -1.16 0.00 0.00 179.01 176.55 2dm0 n SER 36 N -4.47 -0.00 -3.68 1.42 3.41 0.14 -4.93 113.62 105.50 2dm0 n SER 36 Ca -0.07 -1.17 -0.13 0.00 -0.26 0.00 0.00 58.87 57.24 2dm0 n SER 36 Cb 0.43 -2.14 -0.13 0.00 -0.26 0.00 0.00 64.21 62.10 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 -7.08 0.16 -0.49 4.33 -2.85 -1.26 -5.04 119.74 107.52 2dm0 s LYS 37 Ca 0.13 0.68 -0.47 0.00 -1.00 0.00 0.00 55.97 55.31 2dm0 s LYS 37 Cb -0.07 -0.07 -0.20 0.00 -2.06 0.00 0.00 37.83 35.43 2dm0 s LYS 37 CO 0.96 -0.25 1.62 -1.91 0.10 0.00 0.00 175.35 175.87 2dm0 n GLU 38 N 5.00 0.05 0.00 1.78 2.13 -1.26 -1.82 120.64 126.52 2dm0 n GLU 38 Ca -0.12 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2dm0 n GLU 38 Cb 0.51 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.69 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 4.09 3.63 3.46 8.31 0.00 -1.21 -4.69 105.19 118.77 2dm0 n GLY 39 Ca 0.31 -1.03 -0.46 0.00 0.00 0.00 0.00 46.02 44.84 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 0.63 -2.47 4.61 0.00 -0.75 -3.73 120.51 118.79 2dm0 n ALA 40 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 2dm0 n ALA 40 Cb 0.00 -2.52 -0.11 0.00 0.00 0.00 0.00 19.45 16.82 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 8.70 2.06 0.34 0.00 -0.12 -1.09 -0.50 117.98 127.36 2dm0 s PHE 41 Ca 1.18 -0.78 -0.18 0.00 -0.05 0.00 0.00 56.93 57.10 2dm0 s PHE 41 Cb -0.95 -1.29 0.04 0.00 -0.63 0.00 0.00 43.02 40.19 2dm0 s PHE 41 CO 0.47 0.22 0.76 0.96 -0.05 0.00 0.00 175.22 177.58 2dm0 s ILE 42 N -3.05 0.00 -0.03 -4.49 -4.36 -0.44 -2.42 121.20 106.42 2dm0 s ILE 42 Ca 0.33 -1.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.70 2dm0 s ILE 42 Cb 0.06 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 41.28 2dm0 s ILE 42 CO 0.14 0.00 0.05 -0.69 0.24 0.00 0.00 174.94 174.68 2dm0 s VAL 43 N -2.98 -0.09 0.35 8.37 1.01 0.71 -1.70 120.40 126.07 2dm0 s VAL 43 Ca 0.14 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2dm0 s VAL 43 Cb -0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2dm0 s VAL 43 CO 0.10 0.15 0.10 0.00 0.00 0.00 0.00 175.10 175.45 2dm0 s ARG 44 N 1.79 1.72 0.26 2.72 1.70 -0.43 0.28 118.95 126.99 2dm0 s ARG 44 Ca 0.00 -2.00 -0.02 0.00 -0.47 0.00 0.00 55.73 53.24 2dm0 s ARG 44 Cb -0.12 -0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 33.63 2dm0 s ARG 44 CO -0.03 -0.35 0.48 -0.51 -1.08 0.00 0.00 175.30 173.80 2dm0 s ASP 45 N -3.50 6.38 -0.78 -2.89 1.01 -1.26 -0.48 116.67 115.15 2dm0 s ASP 45 Ca 0.31 0.51 -0.18 0.00 0.71 0.00 0.00 52.55 53.90 2dm0 s ASP 45 Cb 0.06 -2.05 0.14 0.00 1.01 0.00 0.00 42.92 42.07 2dm0 s ASP 45 CO 0.15 -0.15 0.89 -0.55 0.21 0.00 0.00 175.17 175.72 2dm0 s SER 46 N -3.38 6.49 0.52 0.27 0.15 -0.48 -4.79 113.70 112.49 2dm0 s SER 46 Ca 0.40 -1.96 0.27 0.00 0.70 0.00 0.00 55.95 55.37 2dm0 s SER 46 Cb -0.11 -2.32 0.93 0.00 -1.71 0.00 0.00 66.02 62.82 2dm0 s SER 46 CO 0.31 -0.97 1.18 -1.14 1.20 0.00 0.00 173.24 173.81 2dm0 n ARG 47 N 5.87 0.01 0.02 5.44 3.00 -1.26 0.12 116.66 129.86 2dm0 n ARG 47 Ca 0.09 0.90 -0.10 0.00 -0.00 0.00 0.00 57.85 58.74 2dm0 n ARG 47 Cb 0.46 -2.22 -0.08 0.00 0.00 0.00 0.00 32.46 30.63 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2dm0 h HIS 48 N 0.00 -0.14 -3.33 -0.14 -0.00 -1.98 -3.48 115.15 106.08 2dm0 h HIS 48 Ca 0.51 -0.00 -0.38 0.00 -0.00 0.00 0.00 60.37 60.49 2dm0 h HIS 48 Cb 2.71 0.05 -0.14 0.00 -0.00 0.00 0.00 27.41 30.03 2dm0 h HIS 48 CO 0.00 0.34 -0.65 -1.17 -0.00 0.00 0.00 177.93 176.45 2dm0 s LEU 49 N -8.85 2.11 0.00 0.26 2.96 0.32 -5.02 118.68 110.46 2dm0 s LEU 49 Ca -0.13 -1.26 -0.02 0.00 -0.22 0.00 0.00 54.13 52.50 2dm0 s LEU 49 Cb -0.00 -0.24 -0.11 0.00 0.50 0.00 0.00 46.19 46.34 2dm0 s LEU 49 CO 0.48 -0.55 2.10 0.61 -1.32 0.00 0.00 176.35 177.66 2dm0 n GLY 50 N -0.45 2.15 2.77 7.98 0.00 -1.26 -3.48 105.19 112.90 2dm0 n GLY 50 Ca -0.04 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 2.25 2.16 -3.99 1.61 7.64 -1.26 -4.94 113.62 117.08 2dm0 n SER 51 Ca 0.17 -2.33 -0.19 0.00 1.01 0.00 0.00 58.87 57.53 2dm0 n SER 51 Cb 0.51 -0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.92 0.80 -0.01 1.43 2.02 -1.26 -1.38 117.35 117.02 2dm0 s TYR 52 Ca 0.26 -0.18 0.08 0.00 -0.37 0.00 0.00 57.07 56.86 2dm0 s TYR 52 Cb -0.02 -0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.96 2dm0 s TYR 52 CO 0.16 -0.07 -0.25 0.99 -1.57 0.00 0.00 175.55 174.82 2dm0 s THR 53 N 0.10 1.99 -0.24 -0.71 2.01 0.37 -1.10 115.64 118.07 2dm0 s THR 53 Ca -0.01 -1.10 -0.10 0.00 0.31 0.00 0.00 61.69 60.79 2dm0 s THR 53 Cb -0.07 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 2dm0 s THR 53 CO 0.00 0.54 0.15 -0.63 -0.69 0.00 0.00 174.62 173.99 2dm0 s ILE 54 N -0.61 5.27 -0.37 1.82 1.01 -0.50 -1.31 121.20 126.51 2dm0 s ILE 54 Ca 0.10 0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.81 2dm0 s ILE 54 Cb -0.10 -3.46 0.05 0.00 0.01 0.00 0.00 42.46 38.96 2dm0 s ILE 54 CO -0.01 0.35 0.18 -0.55 0.00 0.00 0.00 174.94 174.91 2dm0 s SER 55 N 1.05 5.54 0.19 3.58 0.15 -0.69 -1.06 113.70 122.46 2dm0 s SER 55 Ca 0.07 -1.20 0.07 0.00 0.70 0.00 0.00 55.95 55.59 2dm0 s SER 55 Cb -0.14 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 2dm0 s SER 55 CO 0.04 -0.41 0.03 -0.69 1.20 0.00 0.00 173.24 173.41 2dm0 s VAL 56 N 1.46 3.82 -0.37 4.45 1.01 -1.01 -1.32 120.40 128.43 2dm0 s VAL 56 Ca 0.01 -1.44 -0.12 0.00 0.00 0.00 0.00 61.98 60.43 2dm0 s VAL 56 Cb -0.20 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.25 2dm0 s VAL 56 CO 0.04 -0.15 0.22 0.12 0.00 0.00 0.00 175.10 175.33 2dm0 s PHE 57 N -1.82 3.24 0.02 5.22 5.36 0.34 -0.63 117.98 129.71 2dm0 s PHE 57 Ca 0.29 -0.81 -0.09 0.00 -0.96 0.00 0.00 56.93 55.35 2dm0 s PHE 57 Cb -0.09 -2.46 -0.31 0.00 -0.34 0.00 0.00 43.02 39.82 2dm0 s PHE 57 CO 0.20 -0.60 0.95 0.52 -1.46 0.00 0.00 175.22 174.83 2dm0 h MET 58 N 8.47 0.37 -2.03 10.12 2.86 0.99 -3.22 114.93 132.50 2dm0 h MET 58 Ca -0.27 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 56.73 2dm0 h MET 58 Cb 1.11 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.01 2dm0 h MET 58 CO 0.67 1.28 -0.48 0.41 1.06 0.00 0.00 176.91 179.85 2dm0 n GLY 59 N 1.68 -4.02 3.00 8.32 0.00 -0.66 -4.68 105.19 108.83 2dm0 n GLY 59 Ca -0.16 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.50 -0.59 -0.03 4.61 0.00 -0.95 -4.64 120.51 118.42 2dm0 n ALA 60 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 53.44 52.48 2dm0 n ALA 60 Cb 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.49 -0.03 -1.67 0.00 2.47 -1.92 -3.34 114.38 107.39 2dm0 h ARG 61 Ca -0.24 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.30 2dm0 h ARG 61 Cb 0.75 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 29.00 2dm0 h ARG 61 CO 0.15 -0.02 0.23 0.54 0.56 0.00 0.00 179.97 181.43 2dm0 n ARG 62 N -4.32 1.43 -3.80 0.04 5.12 -1.26 -4.80 116.66 109.07 2dm0 n ARG 62 Ca -0.00 -0.86 -0.30 0.00 -1.93 0.00 0.00 57.85 54.76 2dm0 n ARG 62 Cb 0.01 -1.34 -0.06 0.00 -1.16 0.00 0.00 32.46 29.91 2dm0 n ARG 62 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2dm0 n SER 63 N 0.79 -0.91 -0.03 0.55 7.64 -1.26 -4.72 113.62 115.69 2dm0 n SER 63 Ca 0.16 -0.94 0.02 0.00 1.01 0.00 0.00 58.87 59.12 2dm0 n SER 63 Cb 0.57 -1.19 -0.10 0.00 -1.01 0.00 0.00 64.21 62.47 2dm0 n SER 63 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2dm0 n THR 64 N -3.28 0.32 -4.25 0.44 -1.04 -1.26 -5.02 114.28 100.19 2dm0 n THR 64 Ca 0.02 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.05 61.51 2dm0 n THR 64 Cb 0.38 -0.14 -0.04 0.00 -1.82 0.00 0.00 70.33 68.71 2dm0 n THR 64 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dm0 n GLU 65 N -2.14 0.68 -4.30 -2.82 1.02 -1.26 -5.04 120.64 106.77 2dm0 n GLU 65 Ca -0.09 -1.85 -0.29 0.00 -0.02 0.00 0.00 57.16 54.91 2dm0 n GLU 65 Cb 0.55 1.07 -0.11 0.00 -0.02 0.00 0.00 31.44 32.93 2dm0 n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm0 s ALA 66 N -2.61 2.70 -0.07 0.62 0.00 -1.26 -2.24 121.76 118.90 2dm0 s ALA 66 Ca 0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 2dm0 s ALA 66 Cb 0.01 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.51 2dm0 s ALA 66 CO 0.09 0.59 0.15 0.00 0.00 0.00 0.00 175.76 176.58 2dm0 s ALA 67 N -1.18 -0.22 -0.06 0.00 0.00 -1.26 -4.50 121.76 114.54 2dm0 s ALA 67 Ca 0.18 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.78 2dm0 s ALA 67 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2dm0 s ALA 67 CO 0.10 -0.27 -0.06 0.42 0.00 0.00 0.00 175.76 175.95 2dm0 s ILE 68 N 1.50 0.73 0.30 0.00 1.01 -1.26 0.15 121.20 123.62 2dm0 s ILE 68 Ca -0.06 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2dm0 s ILE 68 Cb -0.12 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 2dm0 s ILE 68 CO -0.06 0.28 0.37 -0.54 0.00 0.00 0.00 174.94 174.99 2dm0 s LYS 69 N 1.11 3.08 -0.25 2.79 3.01 0.20 -4.93 119.74 124.75 2dm0 s LYS 69 Ca -0.07 -1.02 -0.02 0.00 -1.01 0.00 0.00 55.97 53.84 2dm0 s LYS 69 Cb -0.14 -2.73 0.08 0.00 -1.01 0.00 0.00 37.83 34.03 2dm0 s LYS 69 CO -0.01 0.20 0.07 -1.01 0.51 0.00 0.00 175.35 175.11 2dm0 s HIS 70 N -2.15 1.22 -0.53 3.18 3.76 -1.26 -2.41 115.29 117.10 2dm0 s HIS 70 Ca 0.40 -1.22 -0.17 0.00 -0.15 0.00 0.00 55.06 53.92 2dm0 s HIS 70 Cb -0.08 -1.29 0.10 0.00 1.11 0.00 0.00 32.58 32.42 2dm0 s HIS 70 CO 0.29 -0.75 0.54 0.71 -0.85 0.00 0.00 174.74 174.68 2dm0 s TYR 71 N 1.79 3.16 0.00 1.40 2.02 -0.23 -4.92 117.35 120.58 2dm0 s TYR 71 Ca 0.04 -1.01 -0.30 0.00 -0.37 0.00 0.00 57.07 55.43 2dm0 s TYR 71 Cb -0.17 -3.64 -0.05 0.00 -0.40 0.00 0.00 41.96 37.70 2dm0 s TYR 71 CO -0.19 -1.02 1.30 -1.14 -1.57 0.00 0.00 175.55 172.93 2dm0 s GLN 72 N 2.00 4.33 -0.47 -0.62 0.74 -1.26 -1.41 119.66 122.98 2dm0 s GLN 72 Ca 0.07 1.85 -0.24 0.00 0.05 0.00 0.00 55.36 57.09 2dm0 s GLN 72 Cb -0.26 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.38 2dm0 s GLN 72 CO 0.06 -0.47 0.84 0.42 -0.55 0.00 0.00 175.29 175.60 2dm0 s ILE 73 N 1.99 4.56 0.51 -2.34 1.01 -0.26 -4.73 121.20 121.95 2dm0 s ILE 73 Ca 0.61 0.47 0.09 0.00 0.00 0.00 0.00 60.65 61.82 2dm0 s ILE 73 Cb -0.29 -4.39 0.06 0.00 0.01 0.00 0.00 42.46 37.85 2dm0 s ILE 73 CO 0.26 -0.81 0.70 -0.54 0.00 0.00 0.00 174.94 174.55 2dm0 s LYS 74 N 3.50 2.51 0.02 2.79 3.01 -1.07 -4.31 119.74 126.20 2dm0 s LYS 74 Ca 0.32 -1.46 0.05 0.00 -1.01 0.00 0.00 55.97 53.87 2dm0 s LYS 74 Cb -0.12 -2.69 -0.02 0.00 -1.01 0.00 0.00 37.83 34.00 2dm0 s LYS 74 CO 0.23 -0.63 -0.14 0.21 0.51 0.00 0.00 175.35 175.53 2dm0 s LYS 75 N -4.55 1.02 0.54 1.68 2.20 -1.26 -1.80 119.74 117.58 2dm0 s LYS 75 Ca 0.59 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.65 2dm0 s LYS 75 Cb -0.08 -1.01 0.09 0.00 -1.51 0.00 0.00 37.83 35.33 2dm0 s LYS 75 CO 0.37 0.26 0.75 0.27 -0.36 0.00 0.00 175.35 176.64 2dm0 n ASN 76 N 2.31 1.80 -0.05 1.43 0.23 -1.05 -4.90 115.26 115.04 2dm0 n ASN 76 Ca -0.16 -2.33 0.17 0.00 -0.53 0.00 0.00 54.58 51.72 2dm0 n ASN 76 Cb 0.55 -0.41 0.60 0.00 -2.08 0.00 0.00 39.78 38.44 2dm0 n ASN 76 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2dm0 h ASP 77 N -0.00 0.18 0.00 0.53 3.04 -2.02 0.33 116.42 118.48 2dm0 h ASP 77 Ca -0.25 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 2dm0 h ASP 77 Cb 1.12 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2dm0 h ASP 77 CO 0.34 0.10 0.00 -1.20 -2.04 0.00 0.00 179.24 176.45 2dm0 n SER 78 N -4.43 0.40 -3.99 4.15 7.64 -1.26 -4.85 113.62 111.27 2dm0 n SER 78 Ca 0.11 -1.96 -0.30 0.00 1.01 0.00 0.00 58.87 57.72 2dm0 n SER 78 Cb 0.52 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.29 -0.42 3.37 0.23 0.00 0.11 -4.96 105.19 103.82 2dm0 n GLY 79 Ca 0.00 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2dm0 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dm0 s GLN 80 N -6.63 2.72 0.21 1.61 -0.21 -1.25 -4.89 119.66 111.21 2dm0 s GLN 80 Ca 0.51 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 54.82 2dm0 s GLN 80 Cb -0.27 -2.35 -0.08 0.00 1.00 0.00 0.00 33.01 31.31 2dm0 s GLN 80 CO 0.87 0.44 0.94 -1.58 -2.12 0.00 0.00 175.29 173.84 2dm0 s TRP 81 N -0.27 3.95 -0.10 0.91 0.52 -1.18 -2.52 118.94 120.25 2dm0 s TRP 81 Ca 0.01 1.89 -0.13 0.00 0.02 0.00 0.00 56.10 57.88 2dm0 s TRP 81 Cb -0.13 -2.99 0.03 0.00 -1.15 0.00 0.00 33.47 29.23 2dm0 s TRP 81 CO 0.03 0.40 0.36 1.52 0.02 0.00 0.00 176.95 179.27 2dm0 s TYR 82 N -0.90 -0.35 -0.16 -1.98 -0.85 -0.74 -1.12 117.35 111.25 2dm0 s TYR 82 Ca 0.42 0.80 -0.02 0.00 -0.52 0.00 0.00 57.07 57.75 2dm0 s TYR 82 Cb -0.25 0.13 -0.09 0.00 0.38 0.00 0.00 41.96 42.13 2dm0 s TYR 82 CO 0.31 -0.25 -0.16 0.28 -1.52 0.00 0.00 175.55 174.21 2dm0 n VAL 83 N 2.44 0.90 0.91 -3.49 0.31 -1.26 -2.58 118.33 115.56 2dm0 n VAL 83 Ca -0.15 -0.31 0.07 0.00 -0.01 0.00 0.00 64.34 63.94 2dm0 n VAL 83 Cb 0.57 -1.27 0.20 0.00 -0.91 0.00 0.00 33.84 32.42 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 -3.21 2.45 -2.00 3.52 0.00 -1.26 -4.89 120.51 115.12 2dm0 n ALA 84 Ca -0.29 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.42 2dm0 n ALA 84 Cb 0.77 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 0.52 -1.86 0.00 0.00 2.13 -1.26 -4.65 120.64 115.52 2dm0 n GLU 85 Ca 0.13 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.56 2dm0 n GLU 85 Cb 0.31 -5.05 0.00 0.00 0.27 0.00 0.00 31.44 26.97 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 -2.37 1.36 -4.06 5.31 5.12 -1.26 -5.02 116.66 115.74 2dm0 n ARG 86 Ca -0.13 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.47 2dm0 n ARG 86 Cb 0.51 -0.72 -0.15 0.00 -1.16 0.00 0.00 32.46 30.94 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 -1.44 3.24 -0.12 -1.55 3.76 -1.26 -5.11 115.29 112.81 2dm0 s HIS 87 Ca 0.00 -2.32 -0.08 0.00 -0.15 0.00 0.00 55.06 52.52 2dm0 s HIS 87 Cb 0.00 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 2dm0 s HIS 87 CO 0.00 -0.88 0.15 0.00 -0.85 0.00 0.00 174.74 173.17 2dm0 s ALA 88 N 1.11 3.84 0.34 -1.40 0.00 -1.26 -4.40 121.76 119.99 2dm0 s ALA 88 Ca -0.08 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2dm0 s ALA 88 Cb -0.20 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 20.92 2dm0 s ALA 88 CO -0.05 0.55 0.15 1.19 0.00 0.00 0.00 175.76 177.60 2dm0 n PHE 89 N 2.18 -0.26 -0.02 0.00 3.01 -0.28 -4.92 117.46 117.18 2dm0 n PHE 89 Ca -0.19 -1.51 0.05 0.00 1.01 0.00 0.00 57.45 56.81 2dm0 n PHE 89 Cb 0.54 -0.25 -0.11 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 -1.11 0.63 -4.00 -1.08 6.02 -1.26 -3.07 117.38 113.51 2dm0 n GLN 90 Ca -0.06 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 56.72 2dm0 n GLN 90 Cb 0.40 -1.34 -0.11 0.00 1.02 0.00 0.00 30.24 30.21 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 -3.80 0.31 0.13 1.08 0.01 -1.26 -4.88 113.70 105.29 2dm0 s SER 91 Ca -0.05 -0.55 -0.19 0.00 1.31 0.00 0.00 55.95 56.47 2dm0 s SER 91 Cb 0.08 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 2dm0 s SER 91 CO 0.59 -0.32 1.76 0.40 0.41 0.00 0.00 173.24 176.08 2dm0 h ILE 92 N 4.50 0.97 0.00 1.44 1.08 -1.97 -1.13 117.51 122.41 2dm0 h ILE 92 Ca -0.32 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2dm0 h ILE 92 Cb 1.20 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2dm0 h ILE 92 CO 0.43 0.04 0.00 -0.81 -0.69 0.00 0.00 178.15 177.12 2dm0 n PRO 93 N -5.02 0.35 -0.07 2.37 -0.04 -1.26 -2.59 135.00 128.75 2dm0 n PRO 93 Ca -0.02 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.34 2dm0 n PRO 93 Cb 0.07 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.14 0.69 -0.22 0.54 1.02 -0.47 -3.37 120.64 117.70 2dm0 n GLU 94 Ca 0.09 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2dm0 n GLU 94 Cb 0.08 -1.61 0.24 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.02 0.88 0.00 -4.62 6.46 -1.18 -1.64 115.31 115.22 2dm0 h LEU 95 Ca -0.49 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 2dm0 h LEU 95 Cb 2.01 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.73 2dm0 h LEU 95 CO 0.00 0.63 -0.54 0.40 -0.62 0.00 0.00 178.44 178.32 2dm0 h ILE 96 N 1.03 0.00 -0.69 4.05 1.08 -1.75 -3.20 117.51 118.03 2dm0 h ILE 96 Ca 0.28 -0.79 0.09 0.00 -0.39 0.00 0.00 64.86 64.05 2dm0 h ILE 96 Cb -0.12 1.49 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 2dm0 h ILE 96 CO -0.06 0.00 0.33 -0.25 -0.69 0.00 0.00 178.15 177.48 2dm0 h TRP 97 N 0.00 0.60 0.00 1.37 -0.00 -1.30 -2.42 115.95 114.20 2dm0 h TRP 97 Ca 0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 58.79 2dm0 h TRP 97 Cb 0.90 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 29.87 2dm0 h TRP 97 CO 0.00 0.21 -0.78 1.88 -0.00 0.00 0.00 178.44 179.74 2dm0 h TYR 98 N 0.57 0.00 -0.75 2.65 0.05 -1.68 -3.38 116.97 114.43 2dm0 h TYR 98 Ca 0.34 0.00 0.18 0.00 0.05 0.00 0.00 58.73 59.31 2dm0 h TYR 98 Cb 0.37 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.97 2dm0 h TYR 98 CO -0.12 1.00 -0.07 0.72 -1.05 0.00 0.00 178.16 178.64 2dm0 n HIS 99 N -4.53 0.39 -0.25 4.88 8.25 -1.21 0.18 115.22 122.93 2dm0 n HIS 99 Ca -0.21 0.90 0.06 0.00 -0.26 0.00 0.00 57.72 58.22 2dm0 n HIS 99 Cb 0.51 -1.01 0.18 0.00 1.12 0.00 0.00 29.99 30.79 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 0.17 0.03 -0.41 1.08 -1.61 0.21 115.11 114.57 2dm0 h GLN 100 Ca 0.41 -0.01 -0.25 0.00 -1.45 0.00 0.00 58.65 57.36 2dm0 h GLN 100 Cb 0.78 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2dm0 h GLN 100 CO -0.73 0.11 -1.02 0.45 -0.95 0.00 0.00 178.83 176.69 2dm0 h HIS 101 N 0.17 0.72 -1.48 2.96 3.86 0.16 -3.39 115.15 118.14 2dm0 h HIS 101 Ca 0.42 -0.41 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 2dm0 h HIS 101 Cb 0.75 -0.07 -0.26 0.00 1.06 0.00 0.00 27.41 28.89 2dm0 h HIS 101 CO -0.34 1.24 -0.41 0.54 0.86 0.00 0.00 177.93 179.82 2dm0 s ASN 102 N -7.16 -0.45 0.00 2.45 2.20 -0.04 -5.06 114.94 106.88 2dm0 s ASN 102 Ca -0.07 0.33 0.00 0.00 -0.94 0.00 0.00 52.86 52.18 2dm0 s ASN 102 Cb 0.08 1.55 0.00 0.00 -2.00 0.00 0.00 41.25 40.88 2dm0 s ASN 102 CO 0.88 -0.30 0.70 0.00 -2.94 0.00 0.00 177.10 175.45 2dm0 n ALA 103 N 5.39 0.00 -2.75 3.54 0.00 -0.58 -3.78 120.51 122.33 2dm0 n ALA 103 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 2dm0 n ALA 103 Cb 0.51 0.35 0.02 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.29 -0.39 -2.66 0.00 0.00 -1.26 -4.51 120.51 109.39 2dm0 n ALA 104 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 2dm0 n ALA 104 Cb 0.00 -1.99 0.11 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.00 -1.70 3.61 0.00 0.00 -1.26 -4.83 105.19 100.01 2dm0 n GLY 105 Ca -0.01 0.96 -0.29 0.00 0.00 0.00 0.00 46.02 46.67 2dm0 n GLY 105 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dm0 n LEU 106 N 0.76 -0.57 -4.16 0.99 7.94 -1.26 -4.86 117.00 115.83 2dm0 n LEU 106 Ca -0.05 -0.86 -0.18 0.00 -1.11 0.00 0.00 56.01 53.81 2dm0 n LEU 106 Cb 0.75 -1.10 -0.12 0.00 0.53 0.00 0.00 43.42 43.48 2dm0 n LEU 106 CO -0.12 0.08 -0.45 -0.32 -1.11 0.00 0.00 177.39 175.46 2dm0 s MET 107 N -5.33 0.80 0.44 1.96 1.75 -1.26 -5.13 119.30 112.53 2dm0 s MET 107 Ca 0.56 -0.95 -0.24 0.00 -1.25 0.00 0.00 55.69 53.81 2dm0 s MET 107 Cb -0.33 -0.76 -0.08 0.00 2.84 0.00 0.00 34.83 36.50 2dm0 s MET 107 CO 0.71 0.17 1.27 -0.08 -0.65 0.00 0.00 175.02 176.44 2dm0 s THR 108 N -1.35 2.67 -0.65 10.11 -1.32 -1.26 -4.61 115.64 119.24 2dm0 s THR 108 Ca -0.02 0.56 -0.27 0.00 -1.21 0.00 0.00 61.69 60.75 2dm0 s THR 108 Cb -0.10 -3.31 -0.01 0.00 -1.51 0.00 0.00 72.50 67.57 2dm0 s THR 108 CO 0.02 0.05 1.74 -0.60 -2.21 0.00 0.00 174.62 173.62 2dm0 s ARG 109 N -2.47 2.74 -0.29 7.08 3.52 -1.26 -4.75 118.95 123.52 2dm0 s ARG 109 Ca 0.61 0.40 -0.35 0.00 -0.13 0.00 0.00 55.73 56.27 2dm0 s ARG 109 Cb -0.36 -4.37 -0.15 0.00 -1.56 0.00 0.00 34.95 28.51 2dm0 s ARG 109 CO 0.45 -2.63 1.13 1.28 -0.81 0.00 0.00 175.30 174.72 2dm0 n LEU 110 N 12.07 0.71 -0.02 -0.88 4.77 -1.26 -4.84 117.00 127.54 2dm0 n LEU 110 Ca 0.17 0.90 -0.07 0.00 -0.03 0.00 0.00 56.01 56.99 2dm0 n LEU 110 Cb 0.51 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 2dm0 n LEU 110 CO 0.71 -0.83 -0.61 0.54 -1.33 0.00 0.00 177.39 175.87 2dm0 n ARG 111 N 2.61 0.15 -3.48 3.23 1.74 -1.24 -4.82 116.66 114.84 2dm0 n ARG 111 Ca 0.22 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.93 2dm0 n ARG 111 Cb -0.02 -0.76 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.16 3.58 -1.19 -1.55 1.51 -1.25 -4.98 117.35 111.30 2dm0 s TYR 112 Ca -0.10 -2.17 -0.23 0.00 -1.01 0.00 0.00 57.07 53.57 2dm0 s TYR 112 Cb 0.03 -3.58 -0.09 0.00 -0.11 0.00 0.00 41.96 38.21 2dm0 s TYR 112 CO 0.13 -0.94 1.93 -0.35 -1.11 0.00 0.00 175.55 175.21 2dm0 n PRO 113 N 4.01 1.61 -1.49 -1.71 -0.04 -1.26 -2.69 135.00 133.43 2dm0 n PRO 113 Ca 0.07 -2.47 -0.55 0.00 -0.04 0.00 0.00 63.50 60.52 2dm0 n PRO 113 Cb 0.43 -3.73 -0.08 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 7.79 0.19 -3.77 0.52 0.31 -1.01 -4.61 118.33 117.75 2dm0 n VAL 114 Ca 0.45 -0.15 -0.20 0.00 -0.01 0.00 0.00 64.34 64.43 2dm0 n VAL 114 Cb 0.46 -1.30 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 2dm0 n VAL 114 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2dm0 s GLY 115 N 5.94 1.46 0.16 2.92 0.00 -1.26 -3.90 107.32 112.64 2dm0 s GLY 115 Ca 1.08 -1.40 -0.23 0.00 0.00 0.00 0.00 44.72 44.17 2dm0 s GLY 115 CO 0.57 -1.37 1.33 1.04 0.00 0.00 0.00 173.10 174.68 2dm0 n LEU 116 N -1.47 -0.81 -4.56 0.66 4.32 -0.09 -3.19 117.00 111.87 2dm0 n LEU 116 Ca -0.04 1.53 -0.30 0.00 -0.02 0.00 0.00 56.01 57.17 2dm0 n LEU 116 Cb 0.58 -0.24 -0.05 0.00 -1.62 0.00 0.00 43.42 42.09 2dm0 n LEU 116 CO 0.43 -1.28 1.40 0.00 -1.22 0.00 0.00 177.39 176.71 2dm0 s MET 117 N -5.55 2.79 0.92 3.23 0.23 -1.26 -4.96 119.30 114.70 2dm0 s MET 117 Ca -0.11 -0.56 -0.10 0.00 -1.03 0.00 0.00 55.69 53.88 2dm0 s MET 117 Cb 0.12 -5.15 0.15 0.00 -1.53 0.00 0.00 34.83 28.42 2dm0 s MET 117 CO 0.56 -3.17 1.12 0.20 -2.03 0.00 0.00 175.02 171.70 2dm0 s GLY 118 N 7.21 1.67 0.00 3.16 0.00 -1.19 -4.99 107.32 113.18 2dm0 s GLY 118 Ca 0.65 0.42 -0.02 0.00 0.00 0.00 0.00 44.72 45.77 2dm0 s GLY 118 CO -0.01 0.87 0.77 0.23 0.00 0.00 0.00 173.10 174.95 2dm0 h SER 119 N -1.82 -0.05 -3.28 1.64 0.87 -1.93 -3.49 113.55 105.49 2dm0 h SER 119 Ca -0.46 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.25 2dm0 h SER 119 Cb 1.27 0.01 -0.27 0.00 -0.44 0.00 0.00 62.40 62.97 2dm0 h SER 119 CO 0.45 -0.03 0.72 -0.55 -0.53 0.00 0.00 176.83 176.89 2dm0 s SER 120 N -2.38 -0.22 -0.27 6.23 0.15 -1.26 -5.18 113.70 110.76 2dm0 s SER 120 Ca -0.01 0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.72 2dm0 s SER 120 Cb 0.00 0.28 0.08 0.00 -1.71 0.00 0.00 66.02 64.67 2dm0 s SER 120 CO 0.03 -0.15 0.76 -0.83 1.20 0.00 0.00 173.24 174.24 2dm0 s GLY 121 N -0.64 -0.50 0.86 9.45 0.00 -1.26 -4.98 107.32 110.26 2dm0 s GLY 121 Ca 0.04 2.18 -0.11 0.00 0.00 0.00 0.00 44.72 46.82 2dm0 s GLY 121 CO -0.06 1.86 1.09 2.56 0.00 0.00 0.00 173.10 178.55 2dm0 s PRO 122 N 0.54 1.51 0.00 2.90 0.04 -1.26 -5.05 135.00 133.69 2dm0 s PRO 122 Ca -0.01 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2dm0 s PRO 122 Cb -0.05 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2dm0 s PRO 122 CO -0.03 -2.09 0.06 -1.54 0.04 0.00 0.00 177.00 173.45 2dm0 s SER 123 N -3.41 5.55 1.06 6.66 1.04 -1.26 -5.09 113.70 118.25 2dm0 s SER 123 Ca 0.63 0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.98 2dm0 s SER 123 Cb -0.18 -1.56 0.04 0.00 0.10 0.00 0.00 66.02 64.42 2dm0 s SER 123 CO 0.57 0.27 -0.18 -0.24 0.98 0.00 0.00 173.24 174.64 2dm0 n SER 124 N 1.19 -2.61 0.00 7.02 2.88 -1.26 -5.37 113.62 115.47 2dm0 n SER 124 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2dm0 n SER 124 Cb 0.53 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2dm0 n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42