#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 5.31 -0.00 1.61 0.01 -1.26 -5.01 113.70 114.37 2dm0 s SER 2 Ca 0.00 -0.11 -0.24 0.00 1.31 0.00 0.00 55.95 56.91 2dm0 s SER 2 Cb 0.00 -1.94 -0.17 0.00 0.21 0.00 0.00 66.02 64.12 2dm0 s SER 2 CO 0.00 0.04 1.19 -1.28 0.41 0.00 0.00 173.24 173.59 2dm0 h SER 3 N 7.72 -0.28 -1.14 2.44 0.87 -2.07 -3.50 113.55 117.59 2dm0 h SER 3 Ca -0.37 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 2dm0 h SER 3 Cb 1.18 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2dm0 h SER 3 CO 0.61 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2dm0 n GLY 4 N -0.12 -0.23 3.60 5.77 0.00 -1.26 -5.15 105.19 107.80 2dm0 n GLY 4 Ca -0.09 -1.13 -0.03 0.00 0.00 0.00 0.00 46.02 44.78 2dm0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm0 s SER 5 N -0.12 -0.12 0.59 1.61 0.15 -1.26 -5.16 113.70 109.39 2dm0 s SER 5 Ca 0.00 -0.05 -0.19 0.00 0.70 0.00 0.00 55.95 56.41 2dm0 s SER 5 Cb 0.00 0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2dm0 s SER 5 CO 0.00 -0.28 1.24 -0.55 1.20 0.00 0.00 173.24 174.86 2dm0 s SER 6 N -2.43 5.10 0.00 5.45 0.15 -1.26 -4.25 113.70 116.46 2dm0 s SER 6 Ca 0.11 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.24 2dm0 s SER 6 Cb 0.01 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2dm0 s SER 6 CO -0.04 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.35 2dm0 n GLY 7 N 0.63 0.71 3.75 9.45 0.00 -1.26 -5.00 105.19 113.47 2dm0 n GLY 7 Ca 0.13 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.00 4.86 -0.15 1.61 -0.87 -1.26 -5.04 114.94 110.09 2dm0 s ASN 8 Ca 0.00 2.23 -0.01 0.00 -1.57 0.00 0.00 52.86 53.51 2dm0 s ASN 8 Cb 0.00 -2.58 0.04 0.00 -0.02 0.00 0.00 41.25 38.69 2dm0 s ASN 8 CO 0.00 -1.81 -0.03 -0.54 -2.57 0.00 0.00 177.10 172.15 2dm0 s LYS 9 N -3.78 1.19 -0.28 -0.60 1.02 -1.26 -4.74 119.74 111.29 2dm0 s LYS 9 Ca 0.72 -0.38 -0.35 0.00 0.02 0.00 0.00 55.97 55.98 2dm0 s LYS 9 Cb -0.26 -1.82 -0.16 0.00 -0.52 0.00 0.00 37.83 35.07 2dm0 s LYS 9 CO 0.39 -0.43 1.14 -0.89 -0.92 0.00 0.00 175.35 174.64 2dm0 n ILE 10 N 4.95 0.00 -2.35 2.17 -0.00 -1.26 -4.85 119.36 118.02 2dm0 n ILE 10 Ca -0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.60 2dm0 n ILE 10 Cb 0.48 -0.28 0.06 0.00 -0.00 0.00 0.00 39.64 39.90 2dm0 n ILE 10 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2dm0 n THR 11 N 2.58 1.47 -1.70 1.39 -2.24 -1.26 -4.96 114.28 109.55 2dm0 n THR 11 Ca 0.22 -2.88 -0.43 0.00 -2.27 0.00 0.00 64.05 58.69 2dm0 n THR 11 Cb -0.02 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 2dm0 n THR 11 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dm0 s ASN 12 N -3.26 5.90 -0.05 3.42 2.20 -1.26 -4.79 114.94 117.09 2dm0 s ASN 12 Ca 0.37 2.09 0.02 0.00 -0.94 0.00 0.00 52.86 54.39 2dm0 s ASN 12 Cb 0.37 -2.52 -0.04 0.00 -2.00 0.00 0.00 41.25 37.05 2dm0 s ASN 12 CO -0.05 -1.58 -0.03 0.18 -2.94 0.00 0.00 177.10 172.68 2dm0 n LEU 13 N 9.92 2.02 -0.36 3.54 4.77 -1.26 -4.65 117.00 130.98 2dm0 n LEU 13 Ca 0.25 -0.02 0.26 0.00 -0.03 0.00 0.00 56.01 56.47 2dm0 n LEU 13 Cb 0.44 -0.10 0.51 0.00 -2.33 0.00 0.00 43.42 41.94 2dm0 n LEU 13 CO 0.67 0.44 1.17 1.05 -1.33 0.00 0.00 177.39 179.38 2dm0 h GLU 14 N 0.00 0.30 -1.04 3.23 4.11 -1.87 0.50 114.58 119.82 2dm0 h GLU 14 Ca -0.12 -0.02 0.27 0.00 0.07 0.00 0.00 59.36 59.56 2dm0 h GLU 14 Cb 1.22 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 2dm0 h GLU 14 CO -0.01 0.20 0.68 -0.84 0.07 0.00 0.00 179.01 179.11 2dm0 h ILE 15 N 0.31 0.53 -3.70 -1.06 3.07 -1.97 -3.41 117.51 111.28 2dm0 h ILE 15 Ca 0.71 -0.12 -0.46 0.00 1.55 0.00 0.00 64.86 66.54 2dm0 h ILE 15 Cb 1.79 0.14 0.10 0.00 -0.27 0.00 0.00 36.82 38.58 2dm0 h ILE 15 CO -0.48 0.07 0.28 -0.31 -1.05 0.00 0.00 178.15 176.65 2dm0 s TYR 16 N -5.43 2.44 -0.14 0.16 2.02 0.18 -5.03 117.35 111.54 2dm0 s TYR 16 Ca -0.08 0.35 0.09 0.00 -0.37 0.00 0.00 57.07 57.06 2dm0 s TYR 16 Cb 0.25 -3.41 -0.15 0.00 -0.40 0.00 0.00 41.96 38.25 2dm0 s TYR 16 CO 0.80 -1.77 -0.00 -0.85 -1.57 0.00 0.00 175.55 172.15 2dm0 n GLU 17 N -3.14 1.50 0.00 -0.62 0.00 -1.26 -4.39 120.64 112.73 2dm0 n GLU 17 Ca 0.11 0.02 0.06 0.00 0.00 0.00 0.00 57.16 57.34 2dm0 n GLU 17 Cb 0.60 -1.34 0.32 0.00 0.00 0.00 0.00 31.44 31.03 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 -2.61 0.00 -3.24 -1.84 4.27 -1.26 -3.44 117.44 109.32 2dm0 n TRP 18 Ca -0.24 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 52.93 2dm0 n TRP 18 Cb 0.90 -0.16 0.00 0.00 -1.36 0.00 0.00 31.31 30.70 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 -1.16 4.55 -2.03 -2.67 9.36 -1.26 -0.55 117.16 123.41 2dm0 n TYR 19 Ca 0.07 -3.58 -0.43 0.00 3.32 0.00 0.00 57.90 57.29 2dm0 n TYR 19 Cb 0.07 -1.62 -0.03 0.00 -0.63 0.00 0.00 39.34 37.13 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 -1.55 1.98 0.12 2.98 3.76 -0.70 -4.81 115.29 117.06 2dm0 s HIS 20 Ca 0.31 0.40 0.10 0.00 -0.15 0.00 0.00 55.06 55.72 2dm0 s HIS 20 Cb -0.06 -3.96 -0.04 0.00 1.11 0.00 0.00 32.58 29.63 2dm0 s HIS 20 CO -0.03 -3.39 -0.24 -0.98 -0.85 0.00 0.00 174.74 169.25 2dm0 s ARG 21 N 4.56 1.57 -0.34 1.40 3.03 -1.26 -3.92 118.95 123.99 2dm0 s ARG 21 Ca 0.74 -1.27 -0.01 0.00 2.03 0.00 0.00 55.73 57.22 2dm0 s ARG 21 Cb -0.29 -1.98 0.00 0.00 -1.03 0.00 0.00 34.95 31.65 2dm0 s ARG 21 CO 0.30 0.47 0.29 -1.71 -1.13 0.00 0.00 175.30 173.51 2dm0 n ASN 22 N 0.94 -2.62 -3.57 -2.89 5.15 -1.26 -5.06 115.26 105.95 2dm0 n ASN 22 Ca -0.17 -0.15 -0.23 0.00 -0.60 0.00 0.00 54.58 53.43 2dm0 n ASN 22 Cb 0.53 -1.71 -0.07 0.00 -0.53 0.00 0.00 39.78 38.00 2dm0 n ASN 22 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2dm0 n ILE 23 N -2.53 0.00 -4.27 -1.44 -5.35 -1.26 -5.16 119.36 99.36 2dm0 n ILE 23 Ca -0.03 -2.35 -0.14 0.00 -0.27 0.00 0.00 62.75 59.95 2dm0 n ILE 23 Cb 0.53 0.97 -0.10 0.00 -1.74 0.00 0.00 39.64 39.30 2dm0 n ILE 23 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2dm0 s THR 24 N -3.16 0.50 0.20 7.28 -1.32 -1.26 -4.97 115.64 112.91 2dm0 s THR 24 Ca 0.27 -1.99 -0.17 0.00 -1.21 0.00 0.00 61.69 58.59 2dm0 s THR 24 Cb 0.01 -2.41 0.18 0.00 -1.51 0.00 0.00 72.50 68.78 2dm0 s THR 24 CO 0.19 -0.19 1.40 -1.14 -2.21 0.00 0.00 174.62 172.67 2dm0 n ARG 25 N -0.34 -0.24 -0.10 7.08 3.00 -1.26 0.22 116.66 125.02 2dm0 n ARG 25 Ca -0.02 1.38 -0.06 0.00 -0.00 0.00 0.00 57.85 59.14 2dm0 n ARG 25 Cb 0.65 -2.05 -0.00 0.00 0.00 0.00 0.00 32.46 31.06 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2dm0 h ASN 26 N 0.00 -0.77 0.19 6.15 -1.24 -1.99 -1.96 115.58 115.95 2dm0 h ASN 26 Ca 0.29 0.16 0.01 0.00 0.71 0.00 0.00 56.30 57.47 2dm0 h ASN 26 Cb 0.52 0.39 -0.04 0.00 0.73 0.00 0.00 38.32 39.92 2dm0 h ASN 26 CO -0.89 -0.26 -0.36 1.56 -1.29 0.00 0.00 177.43 176.19 2dm0 h GLN 27 N -0.18 -0.61 -0.56 6.67 1.08 -0.62 0.30 115.11 121.18 2dm0 h GLN 27 Ca 0.18 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.48 2dm0 h GLN 27 Cb 0.46 0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 27.94 2dm0 h GLN 27 CO -0.47 -0.41 -0.50 0.00 -0.95 0.00 0.00 178.83 176.51 2dm0 h ALA 28 N -0.09 -0.63 0.95 3.87 0.00 -0.62 0.38 119.26 123.13 2dm0 h ALA 28 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2dm0 h ALA 28 Cb 0.64 1.18 0.01 0.00 0.00 0.00 0.00 17.79 19.61 2dm0 h ALA 28 CO -0.17 -0.92 -0.46 0.93 0.00 0.00 0.00 179.25 178.63 2dm0 h GLU 29 N -0.21 -1.23 -0.40 0.00 5.08 -1.20 -3.04 114.58 113.57 2dm0 h GLU 29 Ca 0.09 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2dm0 h GLU 29 Cb 0.46 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 2dm0 h GLU 29 CO -0.64 -0.82 -0.30 1.25 -1.00 0.00 0.00 179.01 177.50 2dm0 h HIS 30 N -1.28 -0.95 -0.76 4.33 2.76 -0.04 0.05 115.15 119.26 2dm0 h HIS 30 Ca -0.13 0.06 0.13 0.00 -2.20 0.00 0.00 60.37 58.23 2dm0 h HIS 30 Cb 0.98 0.47 -0.13 0.00 1.55 0.00 0.00 27.41 30.28 2dm0 h HIS 30 CO 0.01 -0.22 -0.26 1.28 -1.30 0.00 0.00 177.93 177.44 2dm0 n LEU 31 N -4.14 -0.43 0.17 0.26 4.77 0.13 0.52 117.00 118.29 2dm0 n LEU 31 Ca -0.00 1.32 -0.14 0.00 -0.03 0.00 0.00 56.01 57.16 2dm0 n LEU 31 Cb 0.15 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 2dm0 n LEU 31 CO -0.05 -1.21 0.72 -0.07 -1.33 0.00 0.00 177.39 175.45 2dm0 h LEU 32 N 0.00 -0.58 -0.93 2.23 3.38 -0.91 -2.87 115.31 115.63 2dm0 h LEU 32 Ca 0.30 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.47 2dm0 h LEU 32 Cb 0.49 0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.27 2dm0 h LEU 32 CO -0.77 -0.33 -0.35 0.03 0.09 0.00 0.00 178.44 177.11 2dm0 h ARG 33 N -0.49 -0.02 -1.00 1.13 2.47 0.11 0.48 114.38 117.07 2dm0 h ARG 33 Ca -0.01 0.00 0.31 0.00 -1.26 0.00 0.00 59.98 59.02 2dm0 h ARG 33 Cb 0.45 0.01 -0.18 0.00 -1.65 0.00 0.00 29.97 28.59 2dm0 h ARG 33 CO -0.03 -0.02 0.16 1.96 0.56 0.00 0.00 179.97 182.60 2dm0 h GLN 34 N -0.02 0.01 0.07 0.04 4.20 -1.16 0.44 115.11 118.68 2dm0 h GLN 34 Ca 0.35 -0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.82 2dm0 h GLN 34 Cb 0.61 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.41 2dm0 h GLN 34 CO -0.94 0.00 -0.97 0.93 -0.67 0.00 0.00 178.83 177.18 2dm0 h GLU 35 N 0.01 0.54 -6.86 1.46 4.39 -0.18 -3.47 114.58 110.46 2dm0 h GLU 35 Ca 0.66 -0.67 -0.57 0.00 0.34 0.00 0.00 59.36 59.12 2dm0 h GLU 35 Cb 1.49 0.21 -0.19 0.00 -0.10 0.00 0.00 28.75 30.17 2dm0 h GLU 35 CO -0.89 1.28 -0.91 0.43 -1.16 0.00 0.00 179.01 177.76 2dm0 n SER 36 N -3.97 -0.64 -3.64 1.42 7.64 0.16 -4.93 113.62 109.65 2dm0 n SER 36 Ca -0.12 -1.14 -0.21 0.00 1.01 0.00 0.00 58.87 58.41 2dm0 n SER 36 Cb 0.86 -2.26 -0.17 0.00 -1.01 0.00 0.00 64.21 61.63 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 -7.03 -0.01 -0.41 1.43 -2.85 -1.26 -5.08 119.74 104.53 2dm0 s LYS 37 Ca 0.26 0.28 -0.38 0.00 -1.00 0.00 0.00 55.97 55.13 2dm0 s LYS 37 Cb -0.15 -0.87 -0.16 0.00 -2.06 0.00 0.00 37.83 34.59 2dm0 s LYS 37 CO 0.96 -0.44 1.51 -1.91 0.10 0.00 0.00 175.35 175.57 2dm0 n GLU 38 N 5.30 0.00 0.00 1.78 2.13 -1.26 -2.15 120.64 126.44 2dm0 n GLU 38 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2dm0 n GLU 38 Cb 0.50 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.96 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 4.48 3.43 3.44 8.31 0.00 -1.23 -4.79 105.19 118.84 2dm0 n GLY 39 Ca 0.34 -0.63 -0.54 0.00 0.00 0.00 0.00 46.02 45.18 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 0.67 -2.34 4.61 0.00 -0.91 -3.41 120.51 119.12 2dm0 n ALA 40 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 2dm0 n ALA 40 Cb 0.00 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 16.97 2dm0 n ALA 40 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dm0 s PHE 41 N 6.39 0.87 0.12 0.00 -0.71 -1.05 -0.69 117.98 122.91 2dm0 s PHE 41 Ca 1.10 -0.80 -0.20 0.00 -1.04 0.00 0.00 56.93 55.99 2dm0 s PHE 41 Cb -1.05 -0.50 0.05 0.00 -1.21 0.00 0.00 43.02 40.31 2dm0 s PHE 41 CO 0.56 -0.12 0.50 0.96 -1.34 0.00 0.00 175.22 175.78 2dm0 s ILE 42 N -3.04 0.04 -0.24 -4.49 -4.36 -1.10 -2.83 121.20 105.18 2dm0 s ILE 42 Ca 0.07 -0.30 0.02 0.00 -0.26 0.00 0.00 60.65 60.17 2dm0 s ILE 42 Cb 0.01 -1.07 0.06 0.00 1.25 0.00 0.00 42.46 42.71 2dm0 s ILE 42 CO -0.03 -0.17 -0.09 -0.69 0.24 0.00 0.00 174.94 174.21 2dm0 s VAL 43 N -3.48 1.83 0.24 8.37 1.01 0.29 -1.49 120.40 127.17 2dm0 s VAL 43 Ca 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 60.68 2dm0 s VAL 43 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2dm0 s VAL 43 CO -0.10 -0.02 0.21 0.00 0.00 0.00 0.00 175.10 175.19 2dm0 s ARG 44 N 1.27 3.00 0.22 2.72 1.70 -1.06 -1.72 118.95 125.07 2dm0 s ARG 44 Ca -0.06 -0.98 -0.20 0.00 -0.47 0.00 0.00 55.73 54.01 2dm0 s ARG 44 Cb -0.19 -2.62 -0.08 0.00 -0.57 0.00 0.00 34.95 31.49 2dm0 s ARG 44 CO -0.06 0.42 0.73 0.34 -1.08 0.00 0.00 175.30 175.65 2dm0 s ASP 45 N -3.74 7.10 -1.11 -2.89 2.15 -1.26 -2.70 116.67 114.22 2dm0 s ASP 45 Ca 0.33 1.45 -0.14 0.00 0.43 0.00 0.00 52.55 54.62 2dm0 s ASP 45 Cb -0.08 -2.43 0.19 0.00 -0.30 0.00 0.00 42.92 40.29 2dm0 s ASP 45 CO 0.25 0.05 1.27 -0.44 -0.17 0.00 0.00 175.17 176.14 2dm0 s SER 46 N -1.59 7.01 0.44 -0.34 0.01 -0.92 -4.86 113.70 113.46 2dm0 s SER 46 Ca 0.42 -2.90 0.40 0.00 1.31 0.00 0.00 55.95 55.18 2dm0 s SER 46 Cb -0.17 -2.35 1.38 0.00 0.21 0.00 0.00 66.02 65.09 2dm0 s SER 46 CO 0.21 -0.71 1.25 0.54 0.41 0.00 0.00 173.24 174.94 2dm0 n ARG 47 N 5.18 -0.00 0.19 12.44 1.74 -1.26 0.11 116.66 135.05 2dm0 n ARG 47 Ca 0.30 0.88 -0.14 0.00 -0.77 0.00 0.00 57.85 58.12 2dm0 n ARG 47 Cb 0.44 -2.01 -0.07 0.00 -1.02 0.00 0.00 32.46 29.80 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2dm0 h HIS 48 N 0.00 -0.53 -3.06 -1.55 2.76 -1.97 -3.47 115.15 107.33 2dm0 h HIS 48 Ca 0.75 -0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.77 2dm0 h HIS 48 Cb 3.00 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 32.12 2dm0 h HIS 48 CO -0.00 -0.31 -0.08 -0.11 -1.30 0.00 0.00 177.93 176.13 2dm0 n LEU 49 N -5.33 0.00 -1.77 0.26 7.94 0.30 -5.02 117.00 113.38 2dm0 n LEU 49 Ca -0.09 -1.48 -0.02 0.00 -1.11 0.00 0.00 56.01 53.30 2dm0 n LEU 49 Cb 0.24 1.30 -0.04 0.00 0.53 0.00 0.00 43.42 45.45 2dm0 n LEU 49 CO 0.32 -0.34 0.90 0.61 -1.11 0.00 0.00 177.39 177.78 2dm0 n GLY 50 N -0.30 2.12 2.97 -3.96 0.00 -1.26 -4.14 105.19 100.62 2dm0 n GLY 50 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 2dm0 n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dm0 n SER 51 N 1.91 2.17 -3.75 1.61 3.41 -1.26 -5.00 113.62 112.71 2dm0 n SER 51 Ca 0.09 -2.40 -0.13 0.00 -0.26 0.00 0.00 58.87 56.17 2dm0 n SER 51 Cb 0.46 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 2dm0 n SER 51 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2dm0 s TYR 52 N -2.03 -0.36 -0.07 7.33 1.51 -1.26 -2.17 117.35 120.30 2dm0 s TYR 52 Ca 0.30 0.85 0.04 0.00 -1.01 0.00 0.00 57.07 57.24 2dm0 s TYR 52 Cb -0.02 0.13 0.00 0.00 -0.11 0.00 0.00 41.96 41.96 2dm0 s TYR 52 CO 0.19 -0.22 -0.19 0.99 -1.11 0.00 0.00 175.55 175.22 2dm0 s THR 53 N -0.05 1.61 -0.03 -0.71 2.01 -1.10 0.07 115.64 117.44 2dm0 s THR 53 Ca -0.02 -0.77 -0.13 0.00 0.31 0.00 0.00 61.69 61.07 2dm0 s THR 53 Cb -0.03 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 2dm0 s THR 53 CO 0.01 0.46 0.36 -0.63 -0.69 0.00 0.00 174.62 174.13 2dm0 s ILE 54 N 0.36 5.13 -0.38 1.82 1.01 0.58 -2.56 121.20 127.17 2dm0 s ILE 54 Ca -0.13 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.26 2dm0 s ILE 54 Cb -0.16 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 38.77 2dm0 s ILE 54 CO 0.05 0.57 0.10 -0.44 0.00 0.00 0.00 174.94 175.23 2dm0 s SER 55 N -0.96 4.76 -0.02 3.58 0.01 -0.55 -0.96 113.70 119.55 2dm0 s SER 55 Ca 0.22 -2.29 -0.02 0.00 1.31 0.00 0.00 55.95 55.16 2dm0 s SER 55 Cb -0.16 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 2dm0 s SER 55 CO 0.11 -0.37 0.14 -0.69 0.41 0.00 0.00 173.24 172.84 2dm0 s VAL 56 N 0.72 5.16 -0.30 3.43 1.01 -1.21 -2.71 120.40 126.51 2dm0 s VAL 56 Ca 0.12 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 2dm0 s VAL 56 Cb -0.20 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2dm0 s VAL 56 CO -0.06 0.37 0.52 0.12 0.00 0.00 0.00 175.10 176.05 2dm0 s PHE 57 N -1.24 3.22 -0.16 5.22 5.36 0.13 -1.20 117.98 129.32 2dm0 s PHE 57 Ca 0.24 0.46 -0.16 0.00 -0.96 0.00 0.00 56.93 56.51 2dm0 s PHE 57 Cb -0.12 -2.83 -0.13 0.00 -0.34 0.00 0.00 43.02 39.60 2dm0 s PHE 57 CO 0.15 -0.40 0.17 0.52 -1.46 0.00 0.00 175.22 174.21 2dm0 h MET 58 N 8.21 0.00 -0.45 10.12 2.86 -0.03 -3.25 114.93 132.39 2dm0 h MET 58 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2dm0 h MET 58 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2dm0 h MET 58 CO 0.74 0.55 0.00 0.41 1.06 0.00 0.00 176.91 179.67 2dm0 n GLY 59 N 1.58 -0.27 3.66 8.32 0.00 -0.87 -4.64 105.19 112.98 2dm0 n GLY 59 Ca -0.15 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 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 2.07 1.34 0.01 4.61 0.00 -1.11 -4.68 120.51 122.76 2dm0 n ALA 60 Ca 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 2dm0 n ALA 60 Cb 0.00 -2.63 -0.14 0.00 0.00 0.00 0.00 19.45 16.68 2dm0 n ALA 60 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2dm0 h ARG 61 N 10.40 0.14 -0.26 0.00 -0.00 -1.92 -3.37 114.38 119.37 2dm0 h ARG 61 Ca -0.49 -0.24 -0.06 0.00 -0.00 0.00 0.00 59.98 59.19 2dm0 h ARG 61 Cb 1.25 0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 31.31 2dm0 h ARG 61 CO 0.95 0.89 -0.07 -0.09 -0.00 0.00 0.00 179.97 181.64 2dm0 h ARG 62 N 0.04 0.50 0.00 0.08 9.65 -1.98 -3.46 114.38 119.20 2dm0 h ARG 62 Ca -0.30 -0.20 -0.60 0.00 -1.10 0.00 0.00 59.98 57.78 2dm0 h ARG 62 Cb 2.01 -0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 30.43 2dm0 h ARG 62 CO 0.11 0.73 -0.48 0.43 2.80 0.00 0.00 179.97 183.56 2dm0 n SER 63 N -4.53 2.00 -1.73 -3.80 7.64 -1.26 -5.03 113.62 106.92 2dm0 n SER 63 Ca -0.04 -3.23 -0.12 0.00 1.01 0.00 0.00 58.87 56.49 2dm0 n SER 63 Cb 0.31 0.81 0.04 0.00 -1.01 0.00 0.00 64.21 64.36 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 -1.06 2.42 -2.68 0.44 -1.04 -1.26 -4.54 114.28 106.56 2dm0 n THR 64 Ca -0.11 -1.25 -0.14 0.00 -2.04 0.00 0.00 64.05 60.51 2dm0 n THR 64 Cb 0.64 -1.23 0.06 0.00 -1.82 0.00 0.00 70.33 67.98 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 0.40 0.38 -4.92 -2.82 1.02 -1.26 -5.01 120.64 108.43 2dm0 n GLU 65 Ca 0.24 -1.82 -0.33 0.00 -0.02 0.00 0.00 57.16 55.23 2dm0 n GLU 65 Cb 0.66 -0.32 -0.15 0.00 -0.02 0.00 0.00 31.44 31.61 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 -2.81 2.51 -0.10 0.62 0.00 -1.26 -2.75 121.76 117.97 2dm0 s ALA 66 Ca 0.41 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2dm0 s ALA 66 Cb -0.03 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 2dm0 s ALA 66 CO 0.27 0.33 -0.20 0.00 0.00 0.00 0.00 175.76 176.16 2dm0 s ALA 67 N 0.11 2.36 -0.03 0.00 0.00 -1.26 -4.67 121.76 118.27 2dm0 s ALA 67 Ca -0.08 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.94 2dm0 s ALA 67 Cb -0.15 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.04 2dm0 s ALA 67 CO 0.05 0.31 -0.04 0.42 0.00 0.00 0.00 175.76 176.51 2dm0 s ILE 68 N 0.20 0.41 0.48 0.00 1.01 -1.26 0.74 121.20 122.78 2dm0 s ILE 68 Ca -0.12 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.51 2dm0 s ILE 68 Cb -0.16 -0.42 0.02 0.00 0.01 0.00 0.00 42.46 41.91 2dm0 s ILE 68 CO 0.06 0.17 0.50 -0.54 0.00 0.00 0.00 174.94 175.13 2dm0 s LYS 69 N 0.62 2.44 -0.23 2.79 3.01 -0.34 -4.94 119.74 123.10 2dm0 s LYS 69 Ca -0.07 -1.65 -0.04 0.00 -1.01 0.00 0.00 55.97 53.20 2dm0 s LYS 69 Cb -0.11 -2.40 0.09 0.00 -1.01 0.00 0.00 37.83 34.40 2dm0 s LYS 69 CO -0.00 -0.46 0.19 -1.01 0.51 0.00 0.00 175.35 174.58 2dm0 s HIS 70 N -2.58 -0.11 -0.36 3.18 3.76 -1.26 -3.30 115.29 114.63 2dm0 s HIS 70 Ca 0.48 -0.15 -0.13 0.00 -0.15 0.00 0.00 55.06 55.11 2dm0 s HIS 70 Cb -0.04 -0.54 -0.01 0.00 1.11 0.00 0.00 32.58 33.10 2dm0 s HIS 70 CO 0.29 -0.68 0.25 0.71 -0.85 0.00 0.00 174.74 174.46 2dm0 s TYR 71 N 2.25 3.23 0.12 1.40 2.02 -0.13 -4.91 117.35 121.34 2dm0 s TYR 71 Ca 0.07 -0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 56.13 2dm0 s TYR 71 Cb -0.16 -2.50 -0.07 0.00 -0.40 0.00 0.00 41.96 38.84 2dm0 s TYR 71 CO -0.19 -0.44 0.86 -1.14 -1.57 0.00 0.00 175.55 173.07 2dm0 s GLN 72 N 1.70 4.63 -0.48 -0.62 -0.44 -1.26 -0.31 119.66 122.88 2dm0 s GLN 72 Ca 0.06 1.27 -0.18 0.00 -2.50 0.00 0.00 55.36 54.00 2dm0 s GLN 72 Cb -0.18 -3.33 0.05 0.00 -1.64 0.00 0.00 33.01 27.91 2dm0 s GLN 72 CO 0.10 0.36 0.56 0.42 0.50 0.00 0.00 175.29 177.23 2dm0 s ILE 73 N -0.46 4.96 0.53 -2.34 1.01 0.11 -4.66 121.20 120.36 2dm0 s ILE 73 Ca 0.41 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.62 2dm0 s ILE 73 Cb -0.23 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.08 2dm0 s ILE 73 CO 0.27 -0.69 0.73 -0.54 0.00 0.00 0.00 174.94 174.71 2dm0 s LYS 74 N 2.40 2.45 -0.02 2.79 1.02 -0.89 -4.16 119.74 123.33 2dm0 s LYS 74 Ca 0.13 -1.35 0.07 0.00 0.02 0.00 0.00 55.97 54.85 2dm0 s LYS 74 Cb -0.19 -2.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2dm0 s LYS 74 CO 0.12 -0.69 -0.24 0.21 -0.92 0.00 0.00 175.35 173.83 2dm0 s LYS 75 N -4.61 1.99 0.54 1.68 2.20 -1.26 -1.92 119.74 118.36 2dm0 s LYS 75 Ca 0.59 -0.86 -0.05 0.00 -0.36 0.00 0.00 55.97 55.30 2dm0 s LYS 75 Cb -0.08 -1.90 0.12 0.00 -1.51 0.00 0.00 37.83 34.46 2dm0 s LYS 75 CO 0.37 0.50 0.74 0.27 -0.36 0.00 0.00 175.35 176.87 2dm0 n ASN 76 N 2.53 0.51 0.15 1.43 0.23 -0.26 -4.88 115.26 114.98 2dm0 n ASN 76 Ca -0.16 -1.54 0.02 0.00 -0.53 0.00 0.00 54.58 52.36 2dm0 n ASN 76 Cb 0.52 -0.52 0.34 0.00 -2.08 0.00 0.00 39.78 38.04 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 -0.71 0.11 -0.11 0.53 3.32 -2.01 -2.16 116.42 115.38 2dm0 h ASP 77 Ca -0.24 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2dm0 h ASP 77 Cb 0.77 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2dm0 h ASP 77 CO 0.21 0.43 0.00 -1.20 -1.72 0.00 0.00 179.24 176.96 2dm0 n SER 78 N -4.13 1.56 -3.60 6.45 7.64 -1.26 -4.86 113.62 115.41 2dm0 n SER 78 Ca -0.02 -2.12 -0.21 0.00 1.01 0.00 0.00 58.87 57.53 2dm0 n SER 78 Cb 0.38 -0.42 0.06 0.00 -1.01 0.00 0.00 64.21 63.22 2dm0 n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm0 n GLY 79 N 0.26 -0.36 3.32 0.23 0.00 -0.81 -5.00 105.19 102.84 2dm0 n GLY 79 Ca 0.05 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2dm0 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dm0 s GLN 80 N -5.82 1.52 0.07 1.61 -0.21 -1.26 -4.89 119.66 110.69 2dm0 s GLN 80 Ca 0.11 -1.12 -0.24 0.00 0.02 0.00 0.00 55.36 54.13 2dm0 s GLN 80 Cb -0.05 -1.76 -0.06 0.00 1.00 0.00 0.00 33.01 32.14 2dm0 s GLN 80 CO 0.77 0.44 0.73 -1.58 -2.12 0.00 0.00 175.29 173.53 2dm0 s TRP 81 N -0.90 3.78 0.09 0.91 0.52 -0.82 -1.10 118.94 121.42 2dm0 s TRP 81 Ca 0.10 1.47 -0.20 0.00 0.02 0.00 0.00 56.10 57.49 2dm0 s TRP 81 Cb -0.10 -2.75 0.05 0.00 -1.15 0.00 0.00 33.47 29.52 2dm0 s TRP 81 CO 0.03 0.38 0.48 1.52 0.02 0.00 0.00 176.95 179.38 2dm0 s TYR 82 N -0.47 -0.35 0.00 -1.98 -0.85 -0.81 -0.31 117.35 112.59 2dm0 s TYR 82 Ca 0.36 0.22 0.00 0.00 -0.52 0.00 0.00 57.07 57.13 2dm0 s TYR 82 Cb -0.21 0.33 0.00 0.00 0.38 0.00 0.00 41.96 42.46 2dm0 s TYR 82 CO 0.23 -0.68 0.00 0.28 -1.52 0.00 0.00 175.55 173.85 2dm0 n VAL 83 N 0.09 0.00 1.27 -3.49 0.31 -1.26 -2.09 118.33 113.16 2dm0 n VAL 83 Ca -0.17 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.30 2dm0 n VAL 83 Cb 0.62 -0.65 0.70 0.00 -0.91 0.00 0.00 33.84 33.60 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 -2.41 2.41 -1.84 3.52 0.00 -1.26 -4.89 120.51 116.05 2dm0 n ALA 84 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 2dm0 n ALA 84 Cb 0.23 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 2dm0 n ALA 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dm0 n GLU 85 N -1.35 -1.04 0.00 0.00 1.02 -1.26 -4.79 120.64 113.22 2dm0 n GLU 85 Ca 0.12 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 2dm0 n GLU 85 Cb 0.27 -5.01 0.00 0.00 -0.02 0.00 0.00 31.44 26.68 2dm0 n GLU 85 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dm0 n ARG 86 N -2.46 1.04 -4.08 3.49 5.12 -1.26 -5.03 116.66 113.48 2dm0 n ARG 86 Ca -0.15 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.45 2dm0 n ARG 86 Cb 0.54 -0.66 -0.15 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 -1.33 3.01 -0.03 -1.55 3.76 -1.26 -5.11 115.29 112.78 2dm0 s HIS 87 Ca 0.00 -2.03 -0.01 0.00 -0.15 0.00 0.00 55.06 52.87 2dm0 s HIS 87 Cb 0.00 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2dm0 s HIS 87 CO 0.00 -0.84 0.07 0.00 -0.85 0.00 0.00 174.74 173.12 2dm0 s ALA 88 N 1.20 3.55 0.29 -1.40 0.00 -1.26 -4.42 121.76 119.72 2dm0 s ALA 88 Ca -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.09 2dm0 s ALA 88 Cb -0.17 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 2dm0 s ALA 88 CO -0.08 0.67 0.02 1.19 0.00 0.00 0.00 175.76 177.56 2dm0 n PHE 89 N 1.43 0.56 -0.01 0.00 3.01 0.58 -4.91 117.46 118.12 2dm0 n PHE 89 Ca -0.15 -1.49 0.03 0.00 1.01 0.00 0.00 57.45 56.85 2dm0 n PHE 89 Cb 0.53 -0.15 -0.06 0.00 -0.01 0.00 0.00 39.48 39.79 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 -0.70 0.62 -4.13 -1.08 1.13 -1.26 -1.95 117.38 110.00 2dm0 n GLN 90 Ca -0.10 -0.06 -0.16 0.00 -1.94 0.00 0.00 57.00 54.74 2dm0 n GLN 90 Cb 0.37 -1.19 -0.12 0.00 0.11 0.00 0.00 30.24 29.42 2dm0 n GLN 90 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2dm0 s SER 91 N -3.05 1.20 0.13 1.08 0.01 -1.26 -4.83 113.70 106.98 2dm0 s SER 91 Ca -0.03 -0.53 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 2dm0 s SER 91 Cb 0.05 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 2dm0 s SER 91 CO 0.32 -0.12 1.77 0.40 0.41 0.00 0.00 173.24 176.03 2dm0 h ILE 92 N 4.46 1.02 0.00 1.44 1.08 -1.95 -1.34 117.51 122.22 2dm0 h ILE 92 Ca -0.37 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 2dm0 h ILE 92 Cb 1.20 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2dm0 h ILE 92 CO 0.41 0.05 0.00 -0.81 -0.69 0.00 0.00 178.15 177.12 2dm0 n PRO 93 N -4.95 0.20 -0.03 2.37 -0.04 -1.26 -2.70 135.00 128.59 2dm0 n PRO 93 Ca -0.02 0.15 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 2dm0 n PRO 93 Cb 0.05 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.29 0.73 -0.19 0.54 -0.58 -0.55 -3.08 120.64 116.21 2dm0 n GLU 94 Ca 0.07 0.23 0.04 0.00 -0.42 0.00 0.00 57.16 57.08 2dm0 n GLU 94 Cb 0.12 -1.67 0.32 0.00 -0.57 0.00 0.00 31.44 29.64 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dm0 h LEU 95 N 0.05 0.73 0.00 -4.62 6.46 -1.22 -1.18 115.31 115.52 2dm0 h LEU 95 Ca -0.46 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 2dm0 h LEU 95 Cb 2.01 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.77 2dm0 h LEU 95 CO 0.05 0.49 -0.69 0.40 -0.62 0.00 0.00 178.44 178.07 2dm0 h ILE 96 N 0.84 0.00 -0.50 4.05 1.08 -1.73 -3.18 117.51 118.07 2dm0 h ILE 96 Ca 0.30 -0.75 0.07 0.00 -0.39 0.00 0.00 64.86 64.09 2dm0 h ILE 96 Cb 0.12 1.35 -0.06 0.00 -3.07 0.00 0.00 36.82 35.16 2dm0 h ILE 96 CO -0.09 0.00 0.18 -0.25 -0.69 0.00 0.00 178.15 177.30 2dm0 h TRP 97 N 0.00 0.31 0.00 1.37 -0.00 -1.14 -2.40 115.95 114.10 2dm0 h TRP 97 Ca 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 58.89 58.81 2dm0 h TRP 97 Cb 0.87 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.95 2dm0 h TRP 97 CO 0.00 0.10 -0.77 1.88 -0.00 0.00 0.00 178.44 179.65 2dm0 h TYR 98 N 0.35 0.00 -1.12 2.65 -1.99 -1.70 -3.37 116.97 111.80 2dm0 h TYR 98 Ca 0.24 0.00 0.39 0.00 2.00 0.00 0.00 58.73 61.36 2dm0 h TYR 98 Cb 0.26 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.88 2dm0 h TYR 98 CO -0.16 0.80 0.72 0.72 -0.00 0.00 0.00 178.16 180.23 2dm0 n HIS 99 N -4.54 0.57 -0.26 4.88 8.25 -1.20 0.19 115.22 123.11 2dm0 n HIS 99 Ca -0.19 0.57 -0.04 0.00 -0.26 0.00 0.00 57.72 57.81 2dm0 n HIS 99 Cb 0.46 -0.99 0.01 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 -0.11 0.03 -0.41 4.20 -1.58 -2.53 115.11 114.71 2dm0 h GLN 100 Ca 0.72 0.01 -0.26 0.00 0.06 0.00 0.00 58.65 59.18 2dm0 h GLN 100 Cb 2.31 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 30.09 2dm0 h GLN 100 CO -0.38 -0.07 -1.39 1.25 -0.67 0.00 0.00 178.83 177.57 2dm0 h HIS 101 N -0.12 0.11 -3.70 2.96 2.76 -0.50 -3.32 115.15 113.36 2dm0 h HIS 101 Ca 0.26 -0.08 -0.79 0.00 -2.20 0.00 0.00 60.37 57.56 2dm0 h HIS 101 Cb 0.56 -0.00 -0.27 0.00 1.55 0.00 0.00 27.41 29.25 2dm0 h HIS 101 CO -0.73 1.54 0.23 -0.80 -1.30 0.00 0.00 177.93 176.88 2dm0 s ASN 102 N -6.89 6.95 0.30 3.26 0.01 -0.55 -4.91 114.94 113.11 2dm0 s ASN 102 Ca -0.27 -3.12 0.14 0.00 -0.71 0.00 0.00 52.86 48.90 2dm0 s ASN 102 Cb 0.06 -2.19 1.02 0.00 0.41 0.00 0.00 41.25 40.54 2dm0 s ASN 102 CO 0.64 -0.43 1.32 0.00 -1.51 0.00 0.00 177.10 177.11 2dm0 n ALA 103 N 3.36 0.76 -3.67 0.60 0.00 -0.96 -3.85 120.51 116.75 2dm0 n ALA 103 Ca 0.18 0.86 -0.26 0.00 0.00 0.00 0.00 53.44 54.22 2dm0 n ALA 103 Cb 0.43 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.58 -1.12 0.00 0.00 0.00 -1.26 -4.25 120.51 111.30 2dm0 n ALA 104 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2dm0 n ALA 104 Cb 0.98 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.01 -0.17 2.93 0.00 0.00 -1.26 -4.83 105.19 100.84 2dm0 n GLY 105 Ca 0.04 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.56 1.90 0.21 0.99 1.02 -1.26 -5.04 118.68 112.93 2dm0 s LEU 106 Ca 0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 54.13 54.06 2dm0 s LEU 106 Cb 0.00 0.15 0.32 0.00 0.02 0.00 0.00 46.19 46.68 2dm0 s LEU 106 CO 0.00 -0.07 1.20 0.80 0.02 0.00 0.00 176.35 178.31 2dm0 n MET 107 N 2.79 -0.09 -2.69 1.70 0.00 -1.26 -4.22 117.12 113.35 2dm0 n MET 107 Ca -0.14 1.20 -0.40 0.00 -0.00 0.00 0.00 57.70 58.36 2dm0 n MET 107 Cb 0.59 -1.79 -0.06 0.00 0.00 0.00 0.00 33.22 31.96 2dm0 n MET 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2dm0 s THR 108 N -5.92 3.95 0.09 1.12 2.01 -1.26 -4.88 115.64 110.75 2dm0 s THR 108 Ca -0.11 1.90 0.07 0.00 0.31 0.00 0.00 61.69 63.86 2dm0 s THR 108 Cb 0.20 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2dm0 s THR 108 CO 0.59 0.40 -0.18 0.00 -0.69 0.00 0.00 174.62 174.74 2dm0 s ARG 109 N -1.40 1.02 -0.29 4.92 3.03 -1.26 -4.79 118.95 120.18 2dm0 s ARG 109 Ca 0.44 -1.06 -0.37 0.00 2.03 0.00 0.00 55.73 56.76 2dm0 s ARG 109 Cb -0.26 -1.18 -0.13 0.00 -1.03 0.00 0.00 34.95 32.34 2dm0 s ARG 109 CO 0.33 0.27 1.96 1.28 -1.13 0.00 0.00 175.30 178.01 2dm0 n LEU 110 N 1.23 2.40 0.00 -1.89 4.77 -1.25 -4.76 117.00 117.51 2dm0 n LEU 110 Ca -0.20 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2dm0 n LEU 110 Cb 0.54 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2dm0 n LEU 110 CO 0.22 -0.50 -0.34 -2.11 -1.33 0.00 0.00 177.39 173.34 2dm0 n ARG 111 N 6.80 0.13 -3.54 3.23 1.85 -1.25 -4.57 116.66 119.31 2dm0 n ARG 111 Ca 0.33 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.78 2dm0 n ARG 111 Cb 0.19 -0.84 -0.05 0.00 -1.05 0.00 0.00 32.46 30.71 2dm0 n ARG 111 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2dm0 s TYR 112 N -1.67 3.80 -1.10 2.89 2.02 -1.22 -5.01 117.35 117.06 2dm0 s TYR 112 Ca 0.00 -2.67 -0.23 0.00 -0.37 0.00 0.00 57.07 53.80 2dm0 s TYR 112 Cb 0.00 -3.46 -0.08 0.00 -0.40 0.00 0.00 41.96 38.03 2dm0 s TYR 112 CO 0.00 -0.86 1.94 -1.25 -1.57 0.00 0.00 175.55 173.81 2dm0 s PRO 113 N -0.67 2.51 -0.19 -1.71 0.04 -1.26 -2.52 135.00 131.20 2dm0 s PRO 113 Ca 0.23 -0.89 -0.31 0.00 0.04 0.00 0.00 61.00 60.07 2dm0 s PRO 113 Cb -0.12 -5.19 -0.14 0.00 0.04 0.00 0.00 34.50 29.09 2dm0 s PRO 113 CO -0.08 -3.80 0.95 0.28 0.04 0.00 0.00 177.00 174.39 2dm0 n VAL 114 N 7.83 0.00 -1.31 -0.36 0.31 -1.13 -4.64 118.33 119.03 2dm0 n VAL 114 Ca 0.43 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.44 2dm0 n VAL 114 Cb 0.47 -0.19 0.10 0.00 -0.91 0.00 0.00 33.84 33.30 2dm0 n VAL 114 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2dm0 s GLY 115 N 1.16 2.02 0.07 2.92 0.00 -1.26 -4.24 107.32 107.99 2dm0 s GLY 115 Ca 0.69 0.62 -0.34 0.00 0.00 0.00 0.00 44.72 45.69 2dm0 s GLY 115 CO 0.49 1.00 1.52 1.41 0.00 0.00 0.00 173.10 177.52 2dm0 h LEU 116 N -0.74 -1.19 -8.24 0.66 3.38 -1.88 -3.37 115.31 103.92 2dm0 h LEU 116 Ca -0.46 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 2dm0 h LEU 116 Cb 1.27 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 42.34 2dm0 h LEU 116 CO 0.49 -0.69 0.61 0.23 0.09 0.00 0.00 178.44 179.17 2dm0 n MET 117 N -5.33 0.40 0.00 1.13 2.81 -1.26 -4.76 117.12 110.11 2dm0 n MET 117 Ca -0.13 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.16 2dm0 n MET 117 Cb 0.46 -2.92 0.00 0.00 -0.71 0.00 0.00 33.22 30.05 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 6.43 0.34 3.60 3.03 0.00 -1.26 -5.15 105.19 112.18 2dm0 n GLY 118 Ca 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 2dm0 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm0 s SER 119 N -1.00 -0.16 0.15 1.61 0.15 -1.26 -5.14 113.70 108.05 2dm0 s SER 119 Ca 0.00 0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.46 2dm0 s SER 119 Cb 0.00 0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.53 2dm0 s SER 119 CO 0.00 -0.23 1.00 -0.44 1.20 0.00 0.00 173.24 174.77 2dm0 s SER 120 N -1.87 -0.13 -0.08 5.45 0.01 -1.26 -4.99 113.70 110.83 2dm0 s SER 120 Ca 0.08 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 2dm0 s SER 120 Cb -0.01 0.47 0.04 0.00 0.21 0.00 0.00 66.02 66.73 2dm0 s SER 120 CO -0.05 -0.88 0.42 -0.83 0.41 0.00 0.00 173.24 172.31 2dm0 s GLY 121 N -3.03 -0.29 0.26 3.44 0.00 -1.26 -5.17 107.32 101.28 2dm0 s GLY 121 Ca 0.14 0.82 -0.04 0.00 0.00 0.00 0.00 44.72 45.64 2dm0 s GLY 121 CO 0.03 0.61 0.23 -1.55 0.00 0.00 0.00 173.10 172.41 2dm0 n PRO 122 N 1.80 -1.47 -3.99 2.90 -0.04 -1.26 -5.11 135.00 127.84 2dm0 n PRO 122 Ca -0.18 -0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 62.78 2dm0 n PRO 122 Cb 0.56 -0.35 -0.02 0.00 -0.04 0.00 0.00 33.50 33.66 2dm0 n PRO 122 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dm0 s SER 123 N -2.14 0.56 -1.42 3.54 1.04 -1.26 -4.95 113.70 109.08 2dm0 s SER 123 Ca 0.15 -1.34 -0.09 0.00 0.48 0.00 0.00 55.95 55.15 2dm0 s SER 123 Cb -0.01 0.72 0.04 0.00 0.10 0.00 0.00 66.02 66.87 2dm0 s SER 123 CO 0.12 -1.42 0.99 -1.20 0.98 0.00 0.00 173.24 172.70 2dm0 n SER 124 N -1.35 -4.32 0.00 7.02 7.64 -1.26 -5.39 113.62 115.96 2dm0 n SER 124 Ca -0.02 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2dm0 n SER 124 Cb 0.61 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 2dm0 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64