#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 -3.50 -4.56 1.61 2.88 -1.26 -4.58 113.62 104.21 2dm0 n SER 2 Ca 0.00 0.65 -0.14 0.00 -1.33 0.00 0.00 58.87 58.06 2dm0 n SER 2 Cb 0.00 -0.83 -0.08 0.00 -0.75 0.00 0.00 64.21 62.55 2dm0 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dm0 s SER 3 N -0.97 3.79 0.35 -3.46 0.01 -1.26 -4.62 113.70 107.53 2dm0 s SER 3 Ca 0.56 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2dm0 s SER 3 Cb -0.50 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.17 2dm0 s SER 3 CO 0.64 -4.07 0.00 0.61 0.41 0.00 0.00 173.24 170.83 2dm0 n GLY 4 N 6.69 -3.13 3.33 3.44 0.00 -1.26 -5.06 105.19 109.20 2dm0 n GLY 4 Ca 0.46 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 -5.64 0.15 -0.19 1.61 0.01 -1.26 -5.06 113.70 103.32 2dm0 s SER 5 Ca 0.00 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.01 2dm0 s SER 5 Cb 0.00 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.72 2dm0 s SER 5 CO 0.00 -0.96 -0.16 -0.55 0.41 0.00 0.00 173.24 171.99 2dm0 s SER 6 N -3.13 3.33 0.00 2.44 0.15 -1.26 -5.04 113.70 110.19 2dm0 s SER 6 Ca 0.34 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2dm0 s SER 6 Cb 0.04 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 2dm0 s SER 6 CO 0.12 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2dm0 n GLY 7 N 4.63 0.11 3.23 9.45 0.00 -1.26 -5.00 105.19 116.35 2dm0 n GLY 7 Ca -0.18 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 2dm0 n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dm0 n ASN 8 N 0.03 -3.88 -3.78 1.61 0.23 -1.26 -4.99 115.26 103.22 2dm0 n ASN 8 Ca 0.00 0.61 -0.13 0.00 -0.53 0.00 0.00 54.58 54.53 2dm0 n ASN 8 Cb 0.00 -0.84 -0.14 0.00 -2.08 0.00 0.00 39.78 36.71 2dm0 n ASN 8 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2dm0 s LYS 9 N -1.10 0.07 0.04 -3.83 1.02 -1.26 -5.02 119.74 109.66 2dm0 s LYS 9 Ca 0.55 0.27 -0.33 0.00 0.02 0.00 0.00 55.97 56.49 2dm0 s LYS 9 Cb -0.47 -0.12 -0.17 0.00 -0.52 0.00 0.00 37.83 36.55 2dm0 s LYS 9 CO 0.68 -0.12 0.83 -0.89 -0.92 0.00 0.00 175.35 174.92 2dm0 n ILE 10 N 3.86 0.36 -3.84 2.17 2.08 -1.26 -4.91 119.36 117.81 2dm0 n ILE 10 Ca -0.23 -0.09 -0.29 0.00 0.56 0.00 0.00 62.75 62.70 2dm0 n ILE 10 Cb 0.54 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.30 2dm0 n ILE 10 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2dm0 s THR 11 N -0.18 2.27 -0.30 1.39 2.01 -1.26 -5.08 115.64 114.49 2dm0 s THR 11 Ca 0.74 -3.41 -0.23 0.00 0.31 0.00 0.00 61.69 59.10 2dm0 s THR 11 Cb -1.04 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 68.92 2dm0 s THR 11 CO 0.49 -0.91 0.78 0.20 -0.69 0.00 0.00 174.62 174.48 2dm0 s ASN 12 N -0.49 6.66 -0.05 3.53 0.01 -1.26 -4.87 114.94 118.46 2dm0 s ASN 12 Ca 0.21 0.66 0.02 0.00 -0.71 0.00 0.00 52.86 53.04 2dm0 s ASN 12 Cb -0.17 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 2dm0 s ASN 12 CO -0.06 -0.60 -0.02 0.18 -1.51 0.00 0.00 177.10 175.09 2dm0 n LEU 13 N 6.17 1.73 -0.35 0.60 4.77 -1.26 -4.66 117.00 124.00 2dm0 n LEU 13 Ca 0.03 -0.02 0.16 0.00 -0.03 0.00 0.00 56.01 56.15 2dm0 n LEU 13 Cb 0.48 -0.07 0.36 0.00 -2.33 0.00 0.00 43.42 41.86 2dm0 n LEU 13 CO 0.50 0.39 1.18 -0.33 -1.33 0.00 0.00 177.39 177.80 2dm0 h GLU 14 N 0.00 0.64 -1.03 3.23 5.08 -1.89 0.26 114.58 120.86 2dm0 h GLU 14 Ca -0.12 -0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.48 2dm0 h GLU 14 Cb 1.23 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 2dm0 h GLU 14 CO -0.01 0.42 0.71 -0.84 -1.00 0.00 0.00 179.01 178.29 2dm0 h ILE 15 N 0.66 0.51 -3.91 3.13 3.07 -1.96 -3.41 117.51 115.60 2dm0 h ILE 15 Ca 0.62 -0.06 -0.44 0.00 1.55 0.00 0.00 64.86 66.52 2dm0 h ILE 15 Cb 1.09 0.31 0.18 0.00 -0.27 0.00 0.00 36.82 38.13 2dm0 h ILE 15 CO -0.43 0.03 0.42 -0.31 -1.05 0.00 0.00 178.15 176.81 2dm0 s TYR 16 N -5.20 1.34 -0.08 0.16 2.02 0.90 -5.04 117.35 111.45 2dm0 s TYR 16 Ca -0.07 0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 2dm0 s TYR 16 Cb 0.23 -4.22 -0.06 0.00 -0.40 0.00 0.00 41.96 37.52 2dm0 s TYR 16 CO 0.79 -2.83 -0.06 -0.85 -1.57 0.00 0.00 175.55 171.03 2dm0 n GLU 17 N -3.87 0.51 0.00 -0.62 0.28 -1.26 -4.53 120.64 111.15 2dm0 n GLU 17 Ca 0.16 0.04 0.04 0.00 -0.16 0.00 0.00 57.16 57.24 2dm0 n GLU 17 Cb 0.59 -1.17 0.19 0.00 1.43 0.00 0.00 31.44 32.49 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 -2.69 0.00 -3.23 -1.84 4.27 -1.26 -3.23 117.44 109.46 2dm0 n TRP 18 Ca -0.14 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.02 2dm0 n TRP 18 Cb 0.66 -0.28 -0.01 0.00 -1.36 0.00 0.00 31.31 30.33 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 -2.55 3.96 -1.10 -2.67 5.04 -1.26 0.39 117.35 119.16 2dm0 s TYR 19 Ca 0.07 -2.38 -0.22 0.00 -2.44 0.00 0.00 57.07 52.11 2dm0 s TYR 19 Cb 0.05 -3.96 0.05 0.00 0.35 0.00 0.00 41.96 38.45 2dm0 s TYR 19 CO 0.11 -1.08 1.54 -1.01 -1.34 0.00 0.00 175.55 173.77 2dm0 s HIS 20 N -0.18 2.58 0.54 4.97 3.76 0.32 -4.81 115.29 122.48 2dm0 s HIS 20 Ca 0.31 -1.03 -0.03 0.00 -0.15 0.00 0.00 55.06 54.16 2dm0 s HIS 20 Cb -0.08 -4.70 0.01 0.00 1.11 0.00 0.00 32.58 28.92 2dm0 s HIS 20 CO -0.07 -1.89 0.81 -0.98 -0.85 0.00 0.00 174.74 171.76 2dm0 s ARG 21 N 4.81 2.90 -1.18 1.40 1.70 -1.26 -4.20 118.95 123.11 2dm0 s ARG 21 Ca 0.49 -0.27 -0.07 0.00 -0.47 0.00 0.00 55.73 55.41 2dm0 s ARG 21 Cb 0.01 -2.39 0.01 0.00 -0.57 0.00 0.00 34.95 32.01 2dm0 s ARG 21 CO -0.05 -0.58 1.03 -1.71 -1.08 0.00 0.00 175.30 172.92 2dm0 n ASN 22 N -2.40 -5.51 -4.29 -2.89 5.15 -1.26 -5.01 115.26 99.05 2dm0 n ASN 22 Ca 0.04 -0.48 -0.24 0.00 -0.60 0.00 0.00 54.58 53.30 2dm0 n ASN 22 Cb 0.58 -4.49 -0.09 0.00 -0.53 0.00 0.00 39.78 35.25 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 -3.28 0.86 0.52 -1.44 -4.36 -1.26 -5.16 121.20 107.07 2dm0 s ILE 23 Ca 0.47 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 2dm0 s ILE 23 Cb -0.21 -2.52 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 2dm0 s ILE 23 CO 0.64 0.00 0.03 0.42 0.24 0.00 0.00 174.94 176.27 2dm0 s THR 24 N -3.25 1.14 0.33 8.37 -4.23 -1.26 -5.00 115.64 111.74 2dm0 s THR 24 Ca 0.28 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 2dm0 s THR 24 Cb 0.05 -2.10 0.27 0.00 1.34 0.00 0.00 72.50 72.06 2dm0 s THR 24 CO 0.14 0.00 1.97 -0.09 -0.54 0.00 0.00 174.62 176.10 2dm0 h ARG 25 N 1.27 0.93 -0.40 3.99 9.65 -2.01 -2.09 114.38 125.72 2dm0 h ARG 25 Ca -0.43 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.27 2dm0 h ARG 25 Cb 1.32 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 2dm0 h ARG 25 CO 0.72 0.62 -0.22 -0.97 2.80 0.00 0.00 179.97 182.92 2dm0 h ASN 26 N 0.96 0.88 0.32 -3.80 -1.24 -2.00 -3.03 115.58 107.67 2dm0 h ASN 26 Ca 0.30 -0.41 -0.00 0.00 0.71 0.00 0.00 56.30 56.89 2dm0 h ASN 26 Cb 0.02 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 2dm0 h ASN 26 CO -0.08 1.10 -0.25 1.56 -1.29 0.00 0.00 177.43 178.47 2dm0 h GLN 27 N 0.67 -0.55 -0.09 6.67 1.08 -1.79 0.23 115.11 121.33 2dm0 h GLN 27 Ca 0.09 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2dm0 h GLN 27 Cb 0.78 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.30 2dm0 h GLN 27 CO 0.06 -0.37 -0.30 0.00 -0.95 0.00 0.00 178.83 177.27 2dm0 h ALA 28 N 0.04 -0.68 0.20 3.87 0.00 -1.45 0.52 119.26 121.76 2dm0 h ALA 28 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dm0 h ALA 28 Cb 0.50 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2dm0 h ALA 28 CO -0.01 -0.79 -0.34 0.93 0.00 0.00 0.00 179.25 179.04 2dm0 h GLU 29 N -0.31 -0.60 -0.43 0.00 5.08 -1.51 -2.88 114.58 113.93 2dm0 h GLU 29 Ca 0.02 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2dm0 h GLU 29 Cb 0.37 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2dm0 h GLU 29 CO -0.25 -0.40 -0.34 1.25 -1.00 0.00 0.00 179.01 178.27 2dm0 h HIS 30 N -0.62 -1.08 -1.00 4.33 2.76 -0.27 0.20 115.15 119.47 2dm0 h HIS 30 Ca 0.01 0.06 0.28 0.00 -2.20 0.00 0.00 60.37 58.53 2dm0 h HIS 30 Cb 0.62 0.53 -0.19 0.00 1.55 0.00 0.00 27.41 29.92 2dm0 h HIS 30 CO -0.27 -0.25 0.05 1.28 -1.30 0.00 0.00 177.93 177.44 2dm0 n LEU 31 N -4.31 -0.09 0.28 0.26 4.77 0.15 -0.57 117.00 117.49 2dm0 n LEU 31 Ca -0.00 1.70 -0.15 0.00 -0.03 0.00 0.00 56.01 57.52 2dm0 n LEU 31 Cb 0.18 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 2dm0 n LEU 31 CO -0.05 -1.73 0.52 -0.07 -1.33 0.00 0.00 177.39 174.73 2dm0 h LEU 32 N 0.00 -0.62 -0.85 2.23 3.38 -0.51 -3.15 115.31 115.79 2dm0 h LEU 32 Ca 0.62 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.71 2dm0 h LEU 32 Cb 1.31 0.16 -0.16 0.00 0.09 0.00 0.00 40.66 42.06 2dm0 h LEU 32 CO -0.93 -0.29 -0.21 0.54 0.09 0.00 0.00 178.44 177.64 2dm0 n ARG 33 N -5.32 -0.08 -0.26 1.13 5.12 0.26 0.18 116.66 117.68 2dm0 n ARG 33 Ca -0.11 1.32 0.05 0.00 -1.93 0.00 0.00 57.85 57.17 2dm0 n ARG 33 Cb 0.33 -1.97 0.19 0.00 -1.16 0.00 0.00 32.46 29.85 2dm0 n ARG 33 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2dm0 h GLN 34 N 0.00 0.50 0.11 5.56 4.20 -1.38 -2.40 115.11 121.70 2dm0 h GLN 34 Ca 0.41 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 2dm0 h GLN 34 Cb 0.62 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2dm0 h GLN 34 CO -0.87 0.33 -0.05 0.93 -0.67 0.00 0.00 178.83 178.50 2dm0 h GLU 35 N 0.51 -0.14 -6.13 1.46 4.39 0.18 -3.48 114.58 111.38 2dm0 h GLU 35 Ca 0.42 0.01 -0.42 0.00 0.34 0.00 0.00 59.36 59.71 2dm0 h GLU 35 Cb 0.59 0.03 0.07 0.00 -0.10 0.00 0.00 28.75 29.34 2dm0 h GLU 35 CO -0.37 0.27 -0.88 -1.13 -1.16 0.00 0.00 179.01 175.74 2dm0 n SER 36 N -4.95 -3.18 -3.65 1.42 3.41 -0.17 -4.99 113.62 101.51 2dm0 n SER 36 Ca -0.09 -0.91 -0.06 0.00 -0.26 0.00 0.00 58.87 57.56 2dm0 n SER 36 Cb 0.24 -3.79 -0.07 0.00 -0.26 0.00 0.00 64.21 60.34 2dm0 n SER 36 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2dm0 s LYS 37 N -5.88 0.57 0.34 4.33 -2.85 -1.26 -5.07 119.74 109.91 2dm0 s LYS 37 Ca 0.23 1.21 -0.24 0.00 -1.00 0.00 0.00 55.97 56.17 2dm0 s LYS 37 Cb -0.07 0.38 -0.16 0.00 -2.06 0.00 0.00 37.83 35.93 2dm0 s LYS 37 CO 0.83 -0.18 0.30 -1.91 0.10 0.00 0.00 175.35 174.49 2dm0 n GLU 38 N 4.83 0.11 0.00 1.78 2.13 -1.26 -2.71 120.64 125.52 2dm0 n GLU 38 Ca -0.16 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.70 2dm0 n GLU 38 Cb 0.54 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.16 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 2.13 3.13 3.23 8.31 0.00 -1.20 -4.83 105.19 115.97 2dm0 n GLY 39 Ca 0.13 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 0.51 -3.14 4.61 0.00 -1.10 -3.76 120.51 117.62 2dm0 n ALA 40 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.74 2dm0 n ALA 40 Cb 0.00 -2.13 -0.17 0.00 0.00 0.00 0.00 19.45 17.15 2dm0 n ALA 40 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dm0 s PHE 41 N 5.80 2.05 0.26 0.00 -0.12 -1.23 -0.35 117.98 124.39 2dm0 s PHE 41 Ca 1.25 -0.74 0.05 0.00 -0.05 0.00 0.00 56.93 57.44 2dm0 s PHE 41 Cb -1.05 -1.39 -0.06 0.00 -0.63 0.00 0.00 43.02 39.89 2dm0 s PHE 41 CO 0.48 -0.29 -0.04 0.96 -0.05 0.00 0.00 175.22 176.28 2dm0 s ILE 42 N 0.28 1.40 -0.02 -4.49 -4.36 -0.46 -3.76 121.20 109.79 2dm0 s ILE 42 Ca -0.12 -2.09 -0.01 0.00 -0.26 0.00 0.00 60.65 58.18 2dm0 s ILE 42 Cb -0.15 -2.41 0.02 0.00 1.25 0.00 0.00 42.46 41.17 2dm0 s ILE 42 CO 0.05 -0.31 0.04 -0.69 0.24 0.00 0.00 174.94 174.27 2dm0 s VAL 43 N -3.17 -0.04 0.28 8.37 1.01 0.16 -1.41 120.40 125.60 2dm0 s VAL 43 Ca 0.29 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2dm0 s VAL 43 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.31 2dm0 s VAL 43 CO 0.11 0.06 0.19 0.00 0.00 0.00 0.00 175.10 175.46 2dm0 s ARG 44 N 0.75 1.54 -0.02 2.72 1.70 -0.99 0.12 118.95 124.77 2dm0 s ARG 44 Ca -0.06 -1.87 -0.15 0.00 -0.47 0.00 0.00 55.73 53.18 2dm0 s ARG 44 Cb -0.09 0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 2dm0 s ARG 44 CO -0.02 -0.51 0.41 0.34 -1.08 0.00 0.00 175.30 174.44 2dm0 s ASP 45 N -3.31 6.78 -1.27 -2.89 -1.08 -1.26 -2.96 116.67 110.67 2dm0 s ASP 45 Ca 0.38 0.93 -0.12 0.00 -0.52 0.00 0.00 52.55 53.22 2dm0 s ASP 45 Cb 0.05 -2.25 0.15 0.00 -1.46 0.00 0.00 42.92 39.40 2dm0 s ASP 45 CO 0.20 0.27 1.73 -1.20 0.52 0.00 0.00 175.17 176.69 2dm0 n SER 46 N 2.14 5.03 -0.49 -0.34 7.64 -0.72 -4.82 113.62 122.07 2dm0 n SER 46 Ca -0.13 -3.03 0.38 0.00 1.01 0.00 0.00 58.87 57.10 2dm0 n SER 46 Cb 0.52 -1.55 0.59 0.00 -1.01 0.00 0.00 64.21 62.77 2dm0 n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dm0 n ARG 47 N 5.01 -0.01 0.12 1.43 5.12 -1.26 0.11 116.66 127.18 2dm0 n ARG 47 Ca 0.40 0.86 -0.13 0.00 -1.93 0.00 0.00 57.85 57.06 2dm0 n ARG 47 Cb 0.40 -1.89 -0.06 0.00 -1.16 0.00 0.00 32.46 29.75 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2dm0 h HIS 48 N 0.00 -0.61 -4.22 -1.55 -0.00 -1.95 -3.46 115.15 103.37 2dm0 h HIS 48 Ca 0.70 0.01 -0.37 0.00 -0.00 0.00 0.00 60.37 60.71 2dm0 h HIS 48 Cb 2.65 0.25 -0.14 0.00 -0.00 0.00 0.00 27.41 30.17 2dm0 h HIS 48 CO -0.00 -0.33 -0.57 -1.17 -0.00 0.00 0.00 177.93 175.86 2dm0 s LEU 49 N -10.27 1.56 0.00 0.26 2.96 0.30 -5.02 118.68 108.46 2dm0 s LEU 49 Ca -0.15 -1.53 -0.03 0.00 -0.22 0.00 0.00 54.13 52.20 2dm0 s LEU 49 Cb 0.08 0.27 -0.12 0.00 0.50 0.00 0.00 46.19 46.92 2dm0 s LEU 49 CO 0.65 -0.88 2.28 0.61 -1.32 0.00 0.00 176.35 177.69 2dm0 n GLY 50 N -0.50 2.27 2.54 7.98 0.00 -1.26 -4.32 105.19 111.90 2dm0 n GLY 50 Ca 0.02 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 2.26 2.03 -4.32 1.61 7.64 -1.26 -5.04 113.62 116.53 2dm0 n SER 51 Ca 0.20 -2.60 -0.17 0.00 1.01 0.00 0.00 58.87 57.31 2dm0 n SER 51 Cb 0.56 0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 64.18 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 -2.51 1.53 -0.10 1.43 1.51 -1.24 -1.75 117.35 116.21 2dm0 s TYR 52 Ca 0.08 -1.02 -0.09 0.00 -1.01 0.00 0.00 57.07 55.03 2dm0 s TYR 52 Cb 0.00 -0.90 0.03 0.00 -0.11 0.00 0.00 41.96 40.98 2dm0 s TYR 52 CO 0.06 -0.15 0.26 0.99 -1.11 0.00 0.00 175.55 175.60 2dm0 s THR 53 N -3.55 -0.00 -0.08 -0.71 2.01 -1.16 -0.67 115.64 111.49 2dm0 s THR 53 Ca 0.31 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.35 2dm0 s THR 53 Cb 0.07 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 2dm0 s THR 53 CO 0.10 0.00 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.20 2dm0 s ILE 54 N 0.19 2.49 -0.30 1.82 1.01 0.75 -2.34 121.20 124.82 2dm0 s ILE 54 Ca -0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2dm0 s ILE 54 Cb -0.02 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.51 2dm0 s ILE 54 CO -0.00 0.56 0.06 -0.55 0.00 0.00 0.00 174.94 175.01 2dm0 s SER 55 N -0.05 5.07 -0.12 3.58 0.15 -0.50 -0.17 113.70 121.66 2dm0 s SER 55 Ca -0.05 -0.92 -0.01 0.00 0.70 0.00 0.00 55.95 55.66 2dm0 s SER 55 Cb -0.14 -1.84 -0.02 0.00 -1.71 0.00 0.00 66.02 62.31 2dm0 s SER 55 CO 0.05 -0.24 -0.08 -0.69 1.20 0.00 0.00 173.24 173.48 2dm0 s VAL 56 N 1.42 3.51 -0.42 4.45 1.01 -0.95 -1.35 120.40 128.07 2dm0 s VAL 56 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2dm0 s VAL 56 Cb -0.18 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2dm0 s VAL 56 CO 0.01 0.53 1.10 0.12 0.00 0.00 0.00 175.10 176.86 2dm0 s PHE 57 N 0.09 2.94 -0.10 5.22 5.36 0.53 -1.51 117.98 130.50 2dm0 s PHE 57 Ca -0.03 0.85 -0.22 0.00 -0.96 0.00 0.00 56.93 56.57 2dm0 s PHE 57 Cb -0.14 -4.15 -0.28 0.00 -0.34 0.00 0.00 43.02 38.11 2dm0 s PHE 57 CO 0.04 -1.09 0.70 0.52 -1.46 0.00 0.00 175.22 173.93 2dm0 h MET 58 N 8.83 0.18 -1.17 10.12 2.86 -0.61 -3.18 114.93 131.96 2dm0 h MET 58 Ca -0.22 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 2dm0 h MET 58 Cb 1.06 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2dm0 h MET 58 CO 1.09 1.15 0.00 0.41 1.06 0.00 0.00 176.91 180.62 2dm0 n GLY 59 N 1.65 -1.45 3.72 8.32 0.00 -0.76 -4.57 105.19 112.10 2dm0 n GLY 59 Ca -0.18 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2dm0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 s ALA 60 N 0.00 3.58 -0.19 4.61 0.00 -1.21 -4.71 121.76 123.85 2dm0 s ALA 60 Ca 0.00 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 2dm0 s ALA 60 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 2dm0 s ALA 60 CO 0.00 -0.61 -0.35 0.54 0.00 0.00 0.00 175.76 175.35 2dm0 n ARG 61 N 3.40 0.53 -0.32 0.00 5.12 -1.26 -4.50 116.66 119.63 2dm0 n ARG 61 Ca 0.09 0.21 0.19 0.00 -1.93 0.00 0.00 57.85 56.42 2dm0 n ARG 61 Cb 0.42 -1.42 0.36 0.00 -1.16 0.00 0.00 32.46 30.66 2dm0 n ARG 61 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2dm0 n ARG 62 N -4.43 -0.07 -4.47 5.56 5.12 -1.26 -4.53 116.66 112.58 2dm0 n ARG 62 Ca -0.18 1.40 -0.22 0.00 -1.93 0.00 0.00 57.85 56.92 2dm0 n ARG 62 Cb 0.55 -2.30 -0.10 0.00 -1.16 0.00 0.00 32.46 29.44 2dm0 n ARG 62 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dm0 s SER 63 N -4.87 2.51 -0.09 0.55 0.15 -1.26 -5.02 113.70 105.67 2dm0 s SER 63 Ca -0.11 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.14 2dm0 s SER 63 Cb 0.29 -0.06 0.09 0.00 -1.71 0.00 0.00 66.02 64.63 2dm0 s SER 63 CO 0.75 -0.62 1.63 0.41 1.20 0.00 0.00 173.24 176.61 2dm0 n THR 64 N -0.72 1.86 -2.70 6.45 -1.04 -1.26 -4.67 114.28 112.20 2dm0 n THR 64 Ca -0.03 -0.63 -0.16 0.00 -2.04 0.00 0.00 64.05 61.19 2dm0 n THR 64 Cb 0.67 -1.22 0.08 0.00 -1.82 0.00 0.00 70.33 68.03 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 0.74 0.29 -4.75 -2.82 1.02 -1.26 -5.04 120.64 108.81 2dm0 n GLU 65 Ca 0.10 -2.15 -0.33 0.00 -0.02 0.00 0.00 57.16 54.76 2dm0 n GLU 65 Cb 0.60 -0.39 -0.13 0.00 -0.02 0.00 0.00 31.44 31.50 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 -2.88 2.72 -0.18 0.62 0.00 -1.26 -3.30 121.76 117.48 2dm0 s ALA 66 Ca 0.48 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 2dm0 s ALA 66 Cb -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2dm0 s ALA 66 CO 0.32 0.39 -0.14 0.00 0.00 0.00 0.00 175.76 176.32 2dm0 s ALA 67 N -0.15 2.52 -0.06 0.00 0.00 -1.26 -4.69 121.76 118.11 2dm0 s ALA 67 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2dm0 s ALA 67 Cb -0.13 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2dm0 s ALA 67 CO 0.03 -0.20 -0.05 0.42 0.00 0.00 0.00 175.76 175.96 2dm0 s ILE 68 N 1.08 0.66 0.17 0.00 1.01 -1.26 0.18 121.20 123.05 2dm0 s ILE 68 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.55 2dm0 s ILE 68 Cb -0.14 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2dm0 s ILE 68 CO -0.04 0.27 0.24 -0.54 0.00 0.00 0.00 174.94 174.87 2dm0 s LYS 69 N 1.26 3.23 -0.27 2.79 3.01 -0.57 -4.95 119.74 124.24 2dm0 s LYS 69 Ca -0.05 -0.74 0.01 0.00 -1.01 0.00 0.00 55.97 54.18 2dm0 s LYS 69 Cb -0.14 -2.82 0.08 0.00 -1.01 0.00 0.00 37.83 33.94 2dm0 s LYS 69 CO -0.02 0.49 -0.01 -1.01 0.51 0.00 0.00 175.35 175.31 2dm0 s HIS 70 N -1.80 2.66 -0.34 3.18 3.76 -1.26 -2.23 115.29 119.26 2dm0 s HIS 70 Ca 0.33 -2.09 -0.18 0.00 -0.15 0.00 0.00 55.06 52.98 2dm0 s HIS 70 Cb -0.10 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 2dm0 s HIS 70 CO 0.27 -0.84 0.50 0.71 -0.85 0.00 0.00 174.74 174.52 2dm0 s TYR 71 N 1.30 3.19 -0.19 1.40 2.02 0.76 -4.91 117.35 120.91 2dm0 s TYR 71 Ca 0.01 0.19 -0.21 0.00 -0.37 0.00 0.00 57.07 56.70 2dm0 s TYR 71 Cb -0.19 -2.88 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 2dm0 s TYR 71 CO -0.10 -0.51 0.61 -0.65 -1.57 0.00 0.00 175.55 173.34 2dm0 s GLN 72 N 2.35 4.23 -0.57 -0.62 -0.21 -1.26 -0.17 119.66 123.41 2dm0 s GLN 72 Ca 0.18 0.60 -0.24 0.00 0.02 0.00 0.00 55.36 55.92 2dm0 s GLN 72 Cb -0.16 -3.56 0.05 0.00 1.00 0.00 0.00 33.01 30.34 2dm0 s GLN 72 CO 0.13 -0.19 0.94 0.42 -2.12 0.00 0.00 175.29 174.47 2dm0 s ILE 73 N 1.75 4.38 0.57 1.08 1.01 0.16 -4.76 121.20 125.39 2dm0 s ILE 73 Ca 0.28 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.15 2dm0 s ILE 73 Cb -0.16 -4.56 0.07 0.00 0.01 0.00 0.00 42.46 37.82 2dm0 s ILE 73 CO 0.11 -1.16 0.79 -0.54 0.00 0.00 0.00 174.94 174.14 2dm0 s LYS 74 N 3.95 2.32 -0.03 2.79 1.02 -1.08 -3.69 119.74 125.02 2dm0 s LYS 74 Ca 0.29 -1.18 0.06 0.00 0.02 0.00 0.00 55.97 55.16 2dm0 s LYS 74 Cb -0.13 -2.54 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 2dm0 s LYS 74 CO 0.18 -0.85 -0.20 0.21 -0.92 0.00 0.00 175.35 173.77 2dm0 s LYS 75 N -4.75 1.75 0.53 1.68 2.20 -1.26 -2.09 119.74 117.80 2dm0 s LYS 75 Ca 0.60 -0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 2dm0 s LYS 75 Cb -0.08 -1.63 0.11 0.00 -1.51 0.00 0.00 37.83 34.72 2dm0 s LYS 75 CO 0.39 0.39 0.73 0.27 -0.36 0.00 0.00 175.35 176.77 2dm0 n ASN 76 N 2.73 0.88 -0.09 1.43 0.23 -1.00 -4.88 115.26 114.55 2dm0 n ASN 76 Ca -0.16 -1.76 0.13 0.00 -0.53 0.00 0.00 54.58 52.26 2dm0 n ASN 76 Cb 0.53 -0.48 0.52 0.00 -2.08 0.00 0.00 39.78 38.26 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 -0.50 0.34 0.00 0.53 3.32 -2.01 0.31 116.42 118.40 2dm0 h ASP 77 Ca -0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2dm0 h ASP 77 Cb 0.86 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2dm0 h ASP 77 CO 0.25 0.20 0.00 -0.24 -1.72 0.00 0.00 179.24 177.72 2dm0 n SER 78 N -4.46 0.22 -3.41 6.45 2.88 -1.26 -4.85 113.62 109.19 2dm0 n SER 78 Ca 0.11 -1.91 -0.25 0.00 -1.33 0.00 0.00 58.87 55.49 2dm0 n SER 78 Cb 0.42 -0.11 0.02 0.00 -0.75 0.00 0.00 64.21 63.79 2dm0 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm0 n GLY 79 N 0.36 -0.50 3.65 0.46 0.00 0.11 -4.96 105.19 104.30 2dm0 n GLY 79 Ca 0.00 0.13 -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 -6.08 2.79 0.21 1.61 -0.21 -1.26 -4.86 119.66 111.86 2dm0 s GLN 80 Ca 0.44 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.96 2dm0 s GLN 80 Cb -0.22 -2.66 -0.08 0.00 1.00 0.00 0.00 33.01 31.05 2dm0 s GLN 80 CO 0.55 0.65 0.95 -1.58 -2.12 0.00 0.00 175.29 173.73 2dm0 s TRP 81 N -0.96 3.94 -0.11 0.91 0.52 -1.06 -2.39 118.94 119.78 2dm0 s TRP 81 Ca 0.16 1.89 -0.20 0.00 0.02 0.00 0.00 56.10 57.96 2dm0 s TRP 81 Cb -0.11 -3.00 0.05 0.00 -1.15 0.00 0.00 33.47 29.25 2dm0 s TRP 81 CO 0.06 0.38 0.50 1.52 0.02 0.00 0.00 176.95 179.43 2dm0 s TYR 82 N -0.88 -0.49 -0.13 -1.98 -0.85 -0.89 -0.20 117.35 111.94 2dm0 s TYR 82 Ca 0.43 1.03 -0.05 0.00 -0.52 0.00 0.00 57.07 57.96 2dm0 s TYR 82 Cb -0.25 0.22 -0.06 0.00 0.38 0.00 0.00 41.96 42.25 2dm0 s TYR 82 CO 0.32 -0.38 -0.15 0.28 -1.52 0.00 0.00 175.55 174.09 2dm0 n VAL 83 N 1.95 0.69 1.80 -3.49 0.31 -1.26 -2.65 118.33 115.68 2dm0 n VAL 83 Ca -0.17 -0.19 0.09 0.00 -0.01 0.00 0.00 64.34 64.06 2dm0 n VAL 83 Cb 0.56 -1.52 0.49 0.00 -0.91 0.00 0.00 33.84 32.46 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 2.58 -1.96 3.52 0.00 -1.26 -4.87 120.51 115.10 2dm0 n ALA 84 Ca -0.24 -0.22 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 2dm0 n ALA 84 Cb 0.69 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.49 -1.67 0.00 0.00 2.13 -1.26 -4.70 120.64 114.65 2dm0 n GLU 85 Ca 0.14 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.84 2dm0 n GLU 85 Cb 0.13 -5.35 0.00 0.00 0.27 0.00 0.00 31.44 26.49 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 -2.50 1.40 -4.01 5.31 5.12 -1.26 -5.01 116.66 115.70 2dm0 n ARG 86 Ca -0.18 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.43 2dm0 n ARG 86 Cb 0.60 -0.72 -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 -1.44 3.01 0.00 -1.55 3.76 -1.26 -5.11 115.29 112.70 2dm0 s HIS 87 Ca 0.00 -2.21 -0.04 0.00 -0.15 0.00 0.00 55.06 52.65 2dm0 s HIS 87 Cb 0.00 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 2dm0 s HIS 87 CO 0.00 -0.85 0.23 0.00 -0.85 0.00 0.00 174.74 173.26 2dm0 s ALA 88 N 1.18 3.90 0.25 -1.40 0.00 -1.26 -4.39 121.76 120.05 2dm0 s ALA 88 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2dm0 s ALA 88 Cb -0.19 -1.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 2dm0 s ALA 88 CO -0.06 0.70 0.01 1.19 0.00 0.00 0.00 175.76 177.60 2dm0 n PHE 89 N 0.98 0.55 -0.03 0.00 3.01 0.72 -4.91 117.46 117.78 2dm0 n PHE 89 Ca -0.11 -1.28 0.02 0.00 1.01 0.00 0.00 57.45 57.10 2dm0 n PHE 89 Cb 0.53 -0.15 -0.11 0.00 -0.01 0.00 0.00 39.48 39.74 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 -0.63 0.92 -4.07 -1.08 6.02 -1.26 -2.57 117.38 114.71 2dm0 n GLN 90 Ca -0.10 -0.09 -0.13 0.00 -0.01 0.00 0.00 57.00 56.67 2dm0 n GLN 90 Cb 0.33 -1.33 -0.12 0.00 1.02 0.00 0.00 30.24 30.14 2dm0 n GLN 90 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dm0 s SER 91 N -3.92 0.88 0.13 1.08 0.01 -1.26 -4.85 113.70 105.77 2dm0 s SER 91 Ca -0.05 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.47 2dm0 s SER 91 Cb 0.07 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 2dm0 s SER 91 CO 0.56 -0.19 1.75 0.40 0.41 0.00 0.00 173.24 176.17 2dm0 h ILE 92 N 4.50 0.96 0.00 1.44 1.08 -1.97 -1.14 117.51 122.38 2dm0 h ILE 92 Ca -0.36 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2dm0 h ILE 92 Cb 1.20 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 2dm0 h ILE 92 CO 0.41 0.03 0.00 -0.81 -0.69 0.00 0.00 178.15 177.09 2dm0 n PRO 93 N -5.03 0.32 -0.05 2.37 -0.04 -1.26 -2.68 135.00 128.63 2dm0 n PRO 93 Ca -0.02 0.09 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 2dm0 n PRO 93 Cb 0.07 -1.50 -0.13 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 -1.17 0.72 -0.11 0.54 -0.58 -0.47 -3.27 120.64 116.30 2dm0 n GLU 94 Ca 0.09 0.22 0.05 0.00 -0.42 0.00 0.00 57.16 57.10 2dm0 n GLU 94 Cb 0.09 -1.64 0.38 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.04 0.60 0.00 -4.62 6.46 -1.23 -0.87 115.31 115.69 2dm0 h LEU 95 Ca -0.48 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 2dm0 h LEU 95 Cb 1.99 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.78 2dm0 h LEU 95 CO 0.02 0.41 -0.61 -0.38 -0.62 0.00 0.00 178.44 177.26 2dm0 n ILE 96 N -4.47 0.36 -0.23 4.05 2.08 -1.24 -3.11 119.36 116.80 2dm0 n ILE 96 Ca 0.07 -0.28 -0.04 0.00 0.56 0.00 0.00 62.75 63.07 2dm0 n ILE 96 Cb 0.14 -0.14 0.06 0.00 -0.75 0.00 0.00 39.64 38.96 2dm0 n ILE 96 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 2dm0 h TRP 97 N 0.00 0.79 0.00 1.39 -0.00 -1.13 -1.84 115.95 115.16 2dm0 h TRP 97 Ca 0.00 0.02 -0.18 0.00 -0.00 0.00 0.00 58.89 58.73 2dm0 h TRP 97 Cb 0.75 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.62 2dm0 h TRP 97 CO 0.00 0.46 -1.18 0.66 -0.00 0.00 0.00 178.44 178.38 2dm0 n TYR 98 N -4.67 0.80 -0.19 2.65 4.01 -1.22 -4.17 117.16 114.37 2dm0 n TYR 98 Ca 0.06 0.35 0.30 0.00 -0.16 0.00 0.00 57.90 58.45 2dm0 n TYR 98 Cb 0.07 -0.95 0.63 0.00 -0.31 0.00 0.00 39.34 38.77 2dm0 n TYR 98 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2dm0 h HIS 99 N -1.00 0.00 -0.95 -0.72 3.86 -1.63 0.41 115.15 115.12 2dm0 h HIS 99 Ca -0.27 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.11 2dm0 h HIS 99 Cb 1.09 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.47 2dm0 h HIS 99 CO -0.05 0.00 0.60 1.96 0.86 0.00 0.00 177.93 181.30 2dm0 h GLN 100 N 0.00 0.67 0.00 2.45 1.08 -1.49 0.52 115.11 118.34 2dm0 h GLN 100 Ca 0.46 -0.04 -0.27 0.00 -1.45 0.00 0.00 58.65 57.35 2dm0 h GLN 100 Cb 2.35 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 29.59 2dm0 h GLN 100 CO -0.00 0.44 -1.93 1.58 -0.95 0.00 0.00 178.83 177.97 2dm0 n HIS 101 N -4.62 0.00 -0.25 2.96 -0.00 0.13 -4.00 115.22 109.44 2dm0 n HIS 101 Ca 0.20 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.30 2dm0 n HIS 101 Cb 0.54 -0.60 0.04 0.00 -0.12 0.00 0.00 29.99 29.86 2dm0 n HIS 101 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2dm0 h ASN 102 N -0.47 1.06 -2.38 0.26 -0.26 -1.17 -3.47 115.58 109.15 2dm0 h ASN 102 Ca -0.41 -0.24 -0.21 0.00 -0.56 0.00 0.00 56.30 54.88 2dm0 h ASN 102 Cb 1.41 -0.28 0.02 0.00 -1.06 0.00 0.00 38.32 38.41 2dm0 h ASN 102 CO -0.21 1.02 -0.31 0.00 -1.06 0.00 0.00 177.43 176.87 2dm0 n ALA 103 N -2.45 -0.47 -1.65 -0.83 0.00 0.18 -4.93 120.51 110.36 2dm0 n ALA 103 Ca 0.05 0.14 -0.47 0.00 0.00 0.00 0.00 53.44 53.15 2dm0 n ALA 103 Cb 0.26 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 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 -2.48 0.68 0.00 0.00 0.00 -1.26 -2.35 120.51 115.09 2dm0 n ALA 104 Ca -0.07 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2dm0 n ALA 104 Cb 0.57 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 3.03 3.01 3.47 0.00 0.00 -1.26 -4.79 105.19 108.64 2dm0 n GLY 105 Ca 0.17 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 0.78 0.08 0.99 1.02 -0.99 -4.97 118.68 115.58 2dm0 s LEU 106 Ca 0.00 -1.26 -0.15 0.00 0.02 0.00 0.00 54.13 52.74 2dm0 s LEU 106 Cb 0.00 1.36 -0.16 0.00 0.02 0.00 0.00 46.19 47.41 2dm0 s LEU 106 CO 0.00 -1.14 1.28 0.24 0.02 0.00 0.00 176.35 176.74 2dm0 h MET 107 N 2.27 0.67 -6.78 1.70 2.86 -1.97 -3.45 114.93 110.23 2dm0 h MET 107 Ca -0.29 -0.53 -0.52 0.00 -2.06 0.00 0.00 59.70 56.30 2dm0 h MET 107 Cb 1.25 0.11 0.05 0.00 0.06 0.00 0.00 31.60 33.06 2dm0 h MET 107 CO 0.40 1.15 0.68 0.99 1.06 0.00 0.00 176.91 181.19 2dm0 s THR 108 N -3.76 2.82 -0.14 2.22 2.01 -1.26 -4.97 115.64 112.56 2dm0 s THR 108 Ca -0.12 0.74 -0.13 0.00 0.31 0.00 0.00 61.69 62.49 2dm0 s THR 108 Cb 0.07 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2dm0 s THR 108 CO 0.87 0.14 0.29 0.00 -0.69 0.00 0.00 174.62 175.22 2dm0 s ARG 109 N -0.86 4.13 -0.55 4.92 1.70 -1.26 -4.79 118.95 122.24 2dm0 s ARG 109 Ca 0.54 0.10 -0.28 0.00 -0.47 0.00 0.00 55.73 55.63 2dm0 s ARG 109 Cb -0.40 -3.38 -0.10 0.00 -0.57 0.00 0.00 34.95 30.50 2dm0 s ARG 109 CO 0.46 0.35 2.43 1.28 -1.08 0.00 0.00 175.30 178.73 2dm0 n LEU 110 N 3.21 1.99 -4.44 -1.89 4.77 -1.26 -4.82 117.00 114.55 2dm0 n LEU 110 Ca -0.13 -0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 55.41 2dm0 n LEU 110 Cb 0.52 -1.42 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 2dm0 n LEU 110 CO 0.39 -1.23 -0.17 0.00 -1.33 0.00 0.00 177.39 175.04 2dm0 s ARG 111 N 8.01 1.86 -1.31 3.23 1.70 -1.25 -4.72 118.95 126.47 2dm0 s ARG 111 Ca 1.07 -2.12 -0.14 0.00 -0.47 0.00 0.00 55.73 54.07 2dm0 s ARG 111 Cb -0.48 -0.34 0.01 0.00 -0.57 0.00 0.00 34.95 33.57 2dm0 s ARG 111 CO 0.34 -0.52 0.51 0.66 -1.08 0.00 0.00 175.30 175.21 2dm0 n TYR 112 N -0.82 -1.58 -2.05 5.89 4.02 -1.26 -3.16 117.16 118.20 2dm0 n TYR 112 Ca -0.02 0.48 -0.27 0.00 -0.01 0.00 0.00 57.90 58.08 2dm0 n TYR 112 Cb 0.64 -3.27 -0.05 0.00 -0.02 0.00 0.00 39.34 36.65 2dm0 n TYR 112 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2dm0 s PRO 113 N -6.77 2.55 0.01 -0.72 0.04 -1.26 -3.38 135.00 125.47 2dm0 s PRO 113 Ca 0.25 -0.28 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 2dm0 s PRO 113 Cb -0.11 -5.06 -0.15 0.00 0.04 0.00 0.00 34.50 29.22 2dm0 s PRO 113 CO 0.92 -3.38 0.80 0.28 0.04 0.00 0.00 177.00 175.66 2dm0 n VAL 114 N 7.88 0.07 -1.89 -0.36 0.31 -1.25 -4.65 118.33 118.44 2dm0 n VAL 114 Ca 0.40 -0.02 -0.30 0.00 -0.01 0.00 0.00 64.34 64.42 2dm0 n VAL 114 Cb 0.47 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.45 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 -0.03 1.62 0.06 2.92 0.00 -1.26 -4.08 107.32 106.54 2dm0 s GLY 115 Ca 0.69 -0.41 -0.35 0.00 0.00 0.00 0.00 44.72 44.65 2dm0 s GLY 115 CO 0.44 -0.01 1.53 1.41 0.00 0.00 0.00 173.10 176.46 2dm0 h LEU 116 N -0.74 -1.08 -0.72 0.66 3.38 -1.89 -2.86 115.31 112.06 2dm0 h LEU 116 Ca -0.45 0.04 0.23 0.00 0.09 0.00 0.00 57.88 57.79 2dm0 h LEU 116 Cb 1.27 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 42.17 2dm0 h LEU 116 CO 0.64 -0.76 0.12 0.23 0.09 0.00 0.00 178.44 178.76 2dm0 n MET 117 N -5.39 -0.05 0.00 1.13 2.81 -1.26 -4.56 117.12 109.79 2dm0 n MET 117 Ca -0.16 1.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 2dm0 n MET 117 Cb 0.50 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.32 1.56 3.21 3.03 0.00 -1.08 -4.55 105.19 106.05 2dm0 n GLY 118 Ca 0.20 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.01 -0.27 0.90 1.61 0.15 -1.26 -5.08 113.70 106.73 2dm0 s SER 119 Ca 0.00 0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.97 2dm0 s SER 119 Cb 0.00 0.53 0.18 0.00 -1.71 0.00 0.00 66.02 65.03 2dm0 s SER 119 CO 0.00 -0.22 1.24 -0.94 1.20 0.00 0.00 173.24 174.52 2dm0 s SER 120 N -0.35 3.41 0.13 5.45 1.04 -1.26 -5.05 113.70 117.07 2dm0 s SER 120 Ca -0.05 0.08 -0.25 0.00 0.48 0.00 0.00 55.95 56.21 2dm0 s SER 120 Cb -0.03 -0.19 0.07 0.00 0.10 0.00 0.00 66.02 65.96 2dm0 s SER 120 CO 0.02 -2.53 0.80 -0.83 0.98 0.00 0.00 173.24 171.68 2dm0 s GLY 121 N -4.86 -0.37 0.20 7.32 0.00 -1.26 -5.15 107.32 103.19 2dm0 s GLY 121 Ca 0.72 0.40 -0.30 0.00 0.00 0.00 0.00 44.72 45.54 2dm0 s GLY 121 CO 0.51 0.12 1.30 2.56 0.00 0.00 0.00 173.10 177.60 2dm0 s PRO 122 N -3.47 4.39 -0.17 2.90 0.04 -1.26 -4.97 135.00 132.47 2dm0 s PRO 122 Ca 0.07 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 2dm0 s PRO 122 Cb -0.02 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 2dm0 s PRO 122 CO -0.04 -0.24 -0.32 0.45 0.04 0.00 0.00 177.00 176.88 2dm0 n SER 123 N 2.63 1.87 -4.10 6.66 2.88 -1.26 -4.93 113.62 117.36 2dm0 n SER 123 Ca 0.06 0.32 -0.33 0.00 -1.33 0.00 0.00 58.87 57.59 2dm0 n SER 123 Cb 0.43 -0.71 -0.15 0.00 -0.75 0.00 0.00 64.21 63.03 2dm0 n SER 123 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dm0 s SER 124 N -6.07 4.62 0.00 -3.46 0.01 -1.26 -5.36 113.70 102.18 2dm0 s SER 124 Ca -0.28 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 55.61 2dm0 s SER 124 Cb 0.05 -1.61 0.15 0.00 0.21 0.00 0.00 66.02 64.81 2dm0 s SER 124 CO 0.40 -0.23 0.63 0.61 0.41 0.00 0.00 173.24 175.07