#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2b n THR 2 N 0.00 1.26 -3.55 0.00 5.66 -1.26 -2.97 114.28 113.42 1d2b n THR 2 Ca 0.00 -1.16 -0.17 0.00 -3.05 0.00 0.00 64.05 59.67 1d2b n THR 2 Cb 0.00 -2.19 0.02 0.00 -1.55 0.00 0.00 70.33 66.60 1d2b n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s VAL 4 N -1.87 4.44 -0.41 0.00 -7.23 -1.26 -4.41 120.40 109.66 1d2b s VAL 4 Ca 0.29 -0.95 -0.37 0.00 -1.81 0.00 0.00 61.98 59.15 1d2b s VAL 4 Cb -0.02 -3.56 -0.16 0.00 0.56 0.00 0.00 36.38 33.20 1d2b s VAL 4 CO 0.19 -0.23 1.75 -2.65 -0.31 0.00 0.00 175.10 173.85 1d2b n PRO 5 N -1.60 0.00 -3.44 4.82 -0.02 -1.26 -4.85 135.00 128.64 1d2b n PRO 5 Ca -0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.07 1d2b n PRO 5 Cb 0.58 -1.24 -0.06 0.00 -0.02 0.00 0.00 33.50 32.75 1d2b n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1d2b s PRO 6 N 4.85 4.08 0.05 0.52 0.04 -1.26 -5.00 135.00 138.28 1d2b s PRO 6 Ca 0.99 0.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 1d2b s PRO 6 Cb -1.24 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 29.92 1d2b s PRO 6 CO 0.55 0.50 0.33 -2.39 0.04 0.00 0.00 177.00 176.03 1d2b n HIS 7 N 2.49 -0.01 0.17 0.56 -0.00 -1.26 -4.44 115.22 112.72 1d2b n HIS 7 Ca -0.12 0.44 0.02 0.00 -0.00 0.00 0.00 57.72 58.06 1d2b n HIS 7 Cb 0.52 -0.88 0.29 0.00 -0.00 0.00 0.00 29.99 29.92 1d2b n HIS 7 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1d2b h PRO 8 N 0.80 0.00 -0.00 -1.40 0.13 -1.94 -0.60 132.00 128.98 1d2b h PRO 8 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1d2b h PRO 8 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1d2b h PRO 8 CO 0.26 0.47 -0.07 0.37 -0.23 0.00 0.00 178.00 178.80 1d2b h GLN 9 N 0.00 -0.09 0.07 0.86 -0.00 -1.68 5.85 115.11 120.13 1d2b h GLN 9 Ca -0.00 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1d2b h GLN 9 Cb 0.87 0.02 -0.05 0.00 0.00 0.00 0.00 27.48 28.31 1d2b h GLN 9 CO 0.06 -0.06 -0.47 1.15 0.00 0.00 0.00 178.83 179.51 1d2b h THR 10 N -0.09 0.09 0.00 2.39 2.02 -1.71 1.47 112.91 117.08 1d2b h THR 10 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1d2b h THR 10 Cb 0.10 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1d2b h THR 10 CO -0.05 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.84 1d2b h ALA 11 N -0.27 1.00 0.00 6.16 0.00 -0.57 -0.75 119.26 124.83 1d2b h ALA 11 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1d2b h ALA 11 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1d2b h ALA 11 CO -0.29 0.00 -0.34 0.34 0.00 0.00 0.00 179.25 178.95 1d2b n PHE 12 N -2.63 0.16 0.27 0.00 7.35 1.89 -3.98 117.46 120.53 1d2b n PHE 12 Ca -0.02 0.07 0.13 0.00 -0.76 0.00 0.00 57.45 56.88 1d2b n PHE 12 Cb 0.08 -0.32 0.79 0.00 0.35 0.00 0.00 39.48 40.38 1d2b n PHE 12 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1d2b h ASN 14 N 0.00 0.29 -3.69 0.00 2.35 -1.24 -3.47 115.58 109.82 1d2b h ASN 14 Ca -0.00 -0.60 -0.55 0.00 -0.55 0.00 0.00 56.30 54.60 1d2b h ASN 14 Cb 0.21 -0.09 0.11 0.00 0.05 0.00 0.00 38.32 38.60 1d2b h ASN 14 CO 0.01 1.53 0.65 -1.54 -1.65 0.00 0.00 177.43 176.43 1d2b n SER 15 N -3.34 3.28 -0.90 5.81 3.41 -1.04 -4.93 113.62 115.90 1d2b n SER 15 Ca -0.25 1.20 0.10 0.00 -0.26 0.00 0.00 58.87 59.65 1d2b n SER 15 Cb 1.05 -1.56 0.15 0.00 -0.26 0.00 0.00 64.21 63.59 1d2b n SER 15 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1d2b n ASP 16 N 0.46 3.00 -3.44 4.04 8.00 0.27 -4.85 116.55 124.02 1d2b n ASP 16 Ca 0.03 -1.88 0.01 0.00 0.71 0.00 0.00 54.79 53.66 1d2b n ASP 16 Cb 0.38 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1d2b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1d2b s LEU 17 N -1.37 -1.24 -0.05 0.64 1.43 0.44 -4.18 118.68 114.34 1d2b s LEU 17 Ca 0.29 1.28 -0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1d2b s LEU 17 Cb 0.18 2.24 0.03 0.00 0.03 0.00 0.00 46.19 48.67 1d2b s LEU 17 CO 0.25 -0.24 0.03 -0.69 0.23 0.00 0.00 176.35 175.94 1d2b s VAL 18 N 2.88 0.14 0.12 -1.59 1.01 -1.02 0.27 120.40 122.21 1d2b s VAL 18 Ca 0.05 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1d2b s VAL 18 Cb -0.13 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 35.95 1d2b s VAL 18 CO -0.20 0.22 0.48 0.27 0.00 0.00 0.00 175.10 175.87 1d2b s ILE 19 N 2.01 0.04 -0.15 2.22 -0.00 0.14 0.11 121.20 125.56 1d2b s ILE 19 Ca 0.04 -0.34 -0.13 0.00 -0.00 0.00 0.00 60.65 60.22 1d2b s ILE 19 Cb -0.12 -1.07 -0.05 0.00 -0.00 0.00 0.00 42.46 41.22 1d2b s ILE 19 CO -0.04 -0.19 0.27 0.00 -0.00 0.00 0.00 174.94 174.99 1d2b s ARG 20 N -3.48 4.17 0.33 0.37 1.70 0.77 0.17 118.95 122.98 1d2b s ARG 20 Ca 0.01 0.07 -0.09 0.00 -0.47 0.00 0.00 55.73 55.25 1d2b s ARG 20 Cb 0.00 -3.39 0.02 0.00 -0.57 0.00 0.00 34.95 31.01 1d2b s ARG 20 CO -0.10 0.32 0.56 0.00 -1.08 0.00 0.00 175.30 175.00 1d2b s ALA 21 N 0.24 0.11 0.02 7.88 0.00 -1.02 -0.87 121.76 128.13 1d2b s ALA 21 Ca 0.16 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1d2b s ALA 21 Cb -0.13 1.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1d2b s ALA 21 CO 0.04 -0.86 -0.25 0.15 0.00 0.00 0.00 175.76 174.84 1d2b s LYS 22 N -3.08 1.79 -0.33 0.00 1.02 -0.11 0.79 119.74 119.82 1d2b s LYS 22 Ca 0.24 -0.99 -0.17 0.00 0.02 0.00 0.00 55.97 55.07 1d2b s LYS 22 Cb -0.02 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.41 1d2b s LYS 22 CO 0.15 0.49 0.48 -0.06 -0.92 0.00 0.00 175.35 175.49 1d2b s PHE 23 N -0.72 3.20 -0.34 3.18 0.40 -1.25 0.40 117.98 122.85 1d2b s PHE 23 Ca 0.10 0.21 0.14 0.00 -0.60 0.00 0.00 56.93 56.78 1d2b s PHE 23 Cb -0.10 -2.83 0.46 0.00 0.51 0.00 0.00 43.02 41.06 1d2b s PHE 23 CO 0.01 -0.47 1.05 1.33 0.70 0.00 0.00 175.22 177.84 1d2b n VAL 24 N 5.34 1.59 -3.67 -0.44 0.24 -0.94 -4.25 118.33 116.20 1d2b n VAL 24 Ca -0.06 -3.68 -0.01 0.00 -2.04 0.00 0.00 64.34 58.55 1d2b n VAL 24 Cb 0.49 0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 32.90 1d2b n VAL 24 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d2b s GLY 25 N -3.41 -0.34 0.36 7.63 0.00 -0.91 -4.57 107.32 106.08 1d2b s GLY 25 Ca 0.35 0.53 0.05 0.00 0.00 0.00 0.00 44.72 45.66 1d2b s GLY 25 CO -0.04 0.10 0.52 -0.51 0.00 0.00 0.00 173.10 173.17 1d2b s THR 26 N -2.77 4.01 -0.36 0.90 -4.23 -1.26 -4.06 115.64 107.87 1d2b s THR 26 Ca 0.13 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.48 1d2b s THR 26 Cb 0.02 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.47 1d2b s THR 26 CO -0.02 -0.18 0.96 -2.16 -0.54 0.00 0.00 174.62 172.68 1d2b s PRO 27 N -4.27 3.89 -0.43 3.99 0.04 -1.25 -3.80 135.00 133.18 1d2b s PRO 27 Ca 0.46 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 1d2b s PRO 27 Cb -0.10 -3.79 0.02 0.00 0.04 0.00 0.00 34.50 30.68 1d2b s PRO 27 CO 0.33 -0.94 0.63 -1.21 0.04 0.00 0.00 177.00 175.85 1d2b s GLU 28 N 3.52 3.29 -0.55 4.56 2.02 0.20 -4.83 118.70 126.91 1d2b s GLU 28 Ca 0.40 -0.37 -0.09 0.00 0.02 0.00 0.00 54.97 54.93 1d2b s GLU 28 Cb -0.12 -3.94 0.14 0.00 0.10 0.00 0.00 34.13 30.31 1d2b s GLU 28 CO 0.18 -0.99 0.43 0.08 0.02 0.00 0.00 175.26 174.98 1d2b s VAL 29 N 2.78 4.39 0.66 2.63 1.01 -1.26 -0.97 120.40 129.64 1d2b s VAL 29 Ca 0.22 -2.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.01 1d2b s VAL 29 Cb -0.14 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1d2b s VAL 29 CO 0.19 -0.83 1.13 0.21 0.00 0.00 0.00 175.10 175.79 1d2b s ASN 30 N 2.37 5.01 0.00 3.32 2.47 -1.26 -4.90 114.94 121.95 1d2b s ASN 30 Ca 0.09 2.07 0.30 0.00 0.42 0.00 0.00 52.86 55.74 1d2b s ASN 30 Cb -0.23 -2.56 1.38 0.00 -1.45 0.00 0.00 41.25 38.38 1d2b s ASN 30 CO -0.02 -1.70 1.98 0.00 -3.72 0.00 0.00 177.10 173.64 1d2b n GLN 31 N -2.37 0.28 -2.30 0.43 1.13 -1.26 -3.90 117.38 109.38 1d2b n GLN 31 Ca 0.11 -0.01 -0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1d2b n GLN 31 Cb 0.52 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.41 1d2b n GLN 31 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1d2b n THR 32 N -1.35 0.60 -0.10 5.09 -1.04 -1.26 -4.86 114.28 111.36 1d2b n THR 32 Ca 0.11 -1.81 -0.21 0.00 -2.04 0.00 0.00 64.05 60.11 1d2b n THR 32 Cb 0.28 1.10 -0.07 0.00 -1.82 0.00 0.00 70.33 69.82 1d2b n THR 32 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1d2b n THR 33 N -0.44 1.18 -0.06 12.58 5.66 -1.25 -4.98 114.28 126.97 1d2b n THR 33 Ca -0.01 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1d2b n THR 33 Cb 0.89 -1.83 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 1d2b n THR 33 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1d2b n LEU 34 N -3.97 0.00 -4.10 1.09 4.77 -1.26 -4.90 117.00 108.63 1d2b n LEU 34 Ca -0.37 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.52 1d2b n LEU 34 Cb 0.74 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.74 1d2b n LEU 34 CO 0.04 0.00 -0.27 -0.72 -1.33 0.00 0.00 177.39 175.10 1d2b s TYR 35 N -2.51 0.70 0.16 -1.77 1.13 -1.25 0.88 117.35 114.68 1d2b s TYR 35 Ca 0.00 -1.12 0.00 0.00 -1.41 0.00 0.00 57.07 54.55 1d2b s TYR 35 Cb 0.00 -0.40 -0.00 0.00 -1.10 0.00 0.00 41.96 40.46 1d2b s TYR 35 CO 0.00 -0.51 0.01 1.04 -2.51 0.00 0.00 175.55 173.58 1d2b n GLN 36 N -0.06 1.43 -3.66 -3.49 6.02 0.96 -4.05 117.38 114.53 1d2b n GLN 36 Ca -0.08 -1.16 -0.16 0.00 -0.01 0.00 0.00 57.00 55.59 1d2b n GLN 36 Cb 0.63 0.38 -0.15 0.00 1.02 0.00 0.00 30.24 32.12 1d2b n GLN 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1d2b s ARG 37 N -2.56 0.07 -0.00 -1.09 0.52 -0.14 -2.95 118.95 112.78 1d2b s ARG 37 Ca 0.02 0.62 0.02 0.00 -0.52 0.00 0.00 55.73 55.87 1d2b s ARG 37 Cb 0.00 -0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.23 1d2b s ARG 37 CO 0.01 -0.30 -0.03 0.71 0.02 0.00 0.00 175.30 175.70 1d2b s TYR 38 N 2.33 2.98 0.04 -0.53 2.02 -0.86 0.59 117.35 123.92 1d2b s TYR 38 Ca 0.03 0.02 -0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1d2b s TYR 38 Cb -0.12 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 1d2b s TYR 38 CO -0.07 0.42 0.25 -2.00 -1.57 0.00 0.00 175.55 172.58 1d2b s GLU 39 N -1.47 3.51 0.27 -0.62 2.12 -1.25 -0.43 118.70 120.83 1d2b s GLU 39 Ca 0.18 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.27 1d2b s GLU 39 Cb -0.11 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1d2b s GLU 39 CO 0.09 0.61 0.10 0.96 -0.54 0.00 0.00 175.26 176.48 1d2b s ILE 40 N -1.43 0.52 -0.74 -3.70 -4.36 -0.81 -2.14 121.20 108.54 1d2b s ILE 40 Ca 0.32 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.73 1d2b s ILE 40 Cb -0.13 -2.62 0.18 0.00 1.25 0.00 0.00 42.46 41.14 1d2b s ILE 40 CO 0.22 0.00 0.56 -0.75 0.24 0.00 0.00 174.94 175.21 1d2b s LYS 41 N -4.01 2.68 0.05 0.37 2.47 1.33 -4.58 119.74 118.05 1d2b s LYS 41 Ca 0.37 -3.21 -0.35 0.00 -1.56 0.00 0.00 55.97 51.23 1d2b s LYS 41 Cb 0.07 -3.60 -0.13 0.00 -1.46 0.00 0.00 37.83 32.71 1d2b s LYS 41 CO 0.14 -1.26 1.67 -0.12 0.16 0.00 0.00 175.35 175.94 1d2b n MET 42 N 2.28 2.02 -0.03 4.03 0.00 -1.26 -0.94 117.12 123.22 1d2b n MET 42 Ca 0.18 0.73 -0.02 0.00 -0.00 0.00 0.00 57.70 58.60 1d2b n MET 42 Cb 0.35 -2.51 -0.01 0.00 0.00 0.00 0.00 33.22 31.06 1d2b n MET 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1d2b n THR 43 N 3.99 0.50 -3.60 1.12 -1.04 -0.05 -4.88 114.28 110.32 1d2b n THR 43 Ca 0.20 0.40 -0.10 0.00 -2.04 0.00 0.00 64.05 62.50 1d2b n THR 43 Cb 0.27 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 1d2b n THR 43 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1d2b s LYS 44 N -1.46 1.30 -0.05 -2.82 -2.85 -0.33 -5.01 119.74 108.52 1d2b s LYS 44 Ca -0.06 -0.69 -0.06 0.00 -1.00 0.00 0.00 55.97 54.17 1d2b s LYS 44 Cb 0.01 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1d2b s LYS 44 CO 0.08 -0.56 0.19 0.00 0.10 0.00 0.00 175.35 175.17 1d2b s MET 45 N -3.81 3.49 -0.03 1.78 0.23 -1.26 -0.16 119.30 119.53 1d2b s MET 45 Ca 0.05 -0.16 0.04 0.00 -1.03 0.00 0.00 55.69 54.59 1d2b s MET 45 Cb -0.01 -3.14 0.06 0.00 -1.53 0.00 0.00 34.83 30.21 1d2b s MET 45 CO -0.08 0.72 1.03 0.66 -2.03 0.00 0.00 175.02 175.32 1d2b n TYR 46 N 1.47 0.00 0.00 3.16 4.01 0.29 -4.88 117.16 121.21 1d2b n TYR 46 Ca -0.15 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 56.98 1d2b n TYR 46 Cb 0.54 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1d2b n TYR 46 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1d2b n LYS 47 N -0.70 0.00 0.00 -0.72 4.81 -0.28 -4.84 118.16 116.43 1d2b n LYS 47 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1d2b n LYS 47 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 1d2b n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d2b n GLY 48 N 0.00 -0.86 0.35 3.14 0.00 -1.26 -2.44 105.19 104.11 1d2b n GLY 48 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1d2b n GLY 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1d2b h PHE 49 N 0.00 -0.42 0.00 1.61 -1.00 -1.96 16.55 116.94 131.72 1d2b h PHE 49 Ca 0.00 0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 1d2b h PHE 49 Cb 0.00 0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1d2b h PHE 49 CO 0.00 -0.42 -0.33 -0.56 -1.61 0.00 0.00 178.31 175.39 1d2b h GLN 50 N 0.00 0.00 -0.01 1.51 -0.00 -2.01 -2.63 115.11 111.97 1d2b h GLN 50 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 1d2b h GLN 50 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.28 1d2b h GLN 50 CO -0.98 0.33 -0.36 0.00 -0.00 0.00 0.00 178.83 177.83 1d2b n ALA 51 N -2.34 3.25 -0.01 0.06 0.00 0.38 -4.87 120.51 116.99 1d2b n ALA 51 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 1d2b n ALA 51 Cb 0.43 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 1d2b n ALA 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1d2b h LEU 52 N 2.08 -0.26 2.00 0.00 5.85 3.77 -3.45 115.31 125.30 1d2b h LEU 52 Ca 0.00 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 1d2b h LEU 52 Cb 0.62 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1d2b h LEU 52 CO 0.00 -0.07 -0.17 0.61 -0.34 0.00 0.00 178.44 178.48 1d2b n GLY 53 N -1.06 -0.21 0.60 3.75 0.00 -1.26 -4.63 105.19 102.37 1d2b n GLY 53 Ca -0.01 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.43 1d2b n GLY 53 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1d2b h ASP 54 N 0.00 0.00 0.00 1.61 2.03 -1.92 0.48 116.42 118.62 1d2b h ASP 54 Ca -0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 1d2b h ASP 54 Cb 0.95 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 1d2b h ASP 54 CO 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.41 1d2b n ALA 55 N -2.83 -0.43 -2.28 4.15 0.00 -1.26 -4.33 120.51 113.53 1d2b n ALA 55 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 1d2b n ALA 55 Cb 1.53 0.01 0.01 0.00 0.00 0.00 0.00 19.45 21.00 1d2b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b n ALA 56 N -1.83 4.84 -1.39 0.00 0.00 -0.55 -4.71 120.51 116.86 1d2b n ALA 56 Ca 0.00 -3.93 0.07 0.00 0.00 0.00 0.00 53.44 49.58 1d2b n ALA 56 Cb 0.00 -0.47 0.12 0.00 0.00 0.00 0.00 19.45 19.10 1d2b n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1d2b n ASP 57 N -0.58 1.76 -3.55 0.00 8.00 0.16 -4.97 116.55 117.36 1d2b n ASP 57 Ca 0.38 -2.98 -0.12 0.00 0.71 0.00 0.00 54.79 52.79 1d2b n ASP 57 Cb 0.83 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 41.42 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1d2b s ILE 58 N -2.29 -0.51 0.00 0.53 1.09 -1.26 -4.82 121.20 113.94 1d2b s ILE 58 Ca 0.27 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.92 1d2b s ILE 58 Cb 0.25 -0.63 0.00 0.00 -1.06 0.00 0.00 42.46 41.02 1d2b s ILE 58 CO -0.00 -0.01 0.00 0.54 -0.10 0.00 0.00 174.94 175.37 1d2b n ARG 59 N 5.36 2.99 -3.73 2.79 1.74 -1.26 -4.78 116.66 119.77 1d2b n ARG 59 Ca -0.06 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.91 1d2b n ARG 59 Cb 0.50 -0.29 -0.07 0.00 -1.02 0.00 0.00 32.46 31.59 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1d2b s PHE 60 N -0.13 -0.11 -0.14 -1.55 0.40 -1.25 -1.92 117.98 113.27 1d2b s PHE 60 Ca 0.00 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1d2b s PHE 60 Cb 0.00 0.13 -0.02 0.00 0.51 0.00 0.00 43.02 43.64 1d2b s PHE 60 CO 0.00 -0.56 -0.11 0.14 0.70 0.00 0.00 175.22 175.39 1d2b s VAL 61 N -2.98 3.16 -0.44 -0.44 -7.23 0.43 -4.16 120.40 108.74 1d2b s VAL 61 Ca -0.02 -0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 1d2b s VAL 61 Cb 0.01 -2.34 0.07 0.00 0.56 0.00 0.00 36.38 34.67 1d2b s VAL 61 CO -0.06 0.51 0.32 -0.31 -0.31 0.00 0.00 175.10 175.26 1d2b s TYR 62 N 0.45 3.29 -0.06 2.82 1.51 0.47 -2.03 117.35 123.79 1d2b s TYR 62 Ca -0.09 -1.19 0.00 0.00 -1.01 0.00 0.00 57.07 54.79 1d2b s TYR 62 Cb -0.16 -3.03 -0.03 0.00 -0.11 0.00 0.00 41.96 38.63 1d2b s TYR 62 CO 0.04 -0.81 -0.03 -0.08 -1.11 0.00 0.00 175.55 173.57 1d2b s THR 63 N 1.54 4.01 0.20 -0.71 -1.32 -1.15 -2.89 115.64 115.33 1d2b s THR 63 Ca 0.03 -0.42 -0.32 0.00 -1.21 0.00 0.00 61.69 59.78 1d2b s THR 63 Cb -0.23 -2.69 -0.11 0.00 -1.51 0.00 0.00 72.50 67.96 1d2b s THR 63 CO 0.05 0.56 1.65 -2.84 -2.21 0.00 0.00 174.62 171.82 1d2b s PRO 64 N -0.99 4.16 -0.25 7.08 0.02 -1.25 0.32 135.00 144.09 1d2b s PRO 64 Ca 0.14 2.51 -0.00 0.00 0.02 0.00 0.00 61.00 63.67 1d2b s PRO 64 Cb -0.11 -3.10 0.20 0.00 0.02 0.00 0.00 34.50 31.51 1d2b s PRO 64 CO 0.03 -0.68 1.89 0.00 -0.33 0.00 0.00 177.00 177.91 1d2b n ALA 65 N 3.72 4.71 -2.07 -1.55 0.00 5.16 -4.14 120.51 126.33 1d2b n ALA 65 Ca 0.14 -1.36 -0.23 0.00 0.00 0.00 0.00 53.44 51.99 1d2b n ALA 65 Cb 0.37 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.56 1d2b n ALA 65 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1d2b s MET 66 N -1.51 2.67 -0.11 0.00 -1.94 -1.23 -4.74 119.30 112.45 1d2b s MET 66 Ca 0.26 -0.47 -0.30 0.00 -1.71 0.00 0.00 55.69 53.47 1d2b s MET 66 Cb 0.20 -2.41 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 1d2b s MET 66 CO 0.01 -0.70 1.02 -2.00 -0.01 0.00 0.00 175.02 173.34 1d2b s GLU 67 N -4.84 4.41 -1.75 2.03 2.12 -1.26 -3.13 118.70 116.28 1d2b s GLU 67 Ca 0.55 1.41 -0.00 0.00 0.36 0.00 0.00 54.97 57.29 1d2b s GLU 67 Cb -0.10 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1d2b s GLU 67 CO 0.41 -0.34 0.06 0.43 -0.54 0.00 0.00 175.26 175.28 1d2b n SER 68 N 5.10 -5.91 -4.72 -1.70 7.64 -1.26 -4.97 113.62 107.80 1d2b n SER 68 Ca 0.09 -0.05 -0.25 0.00 1.01 0.00 0.00 58.87 59.67 1d2b n SER 68 Cb 0.48 -4.90 0.10 0.00 -1.01 0.00 0.00 64.21 58.88 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1d2b s VAL 69 N -3.05 2.22 -1.18 0.44 0.11 -1.18 -4.12 120.40 113.63 1d2b s VAL 69 Ca 0.03 -0.34 -0.08 0.00 -2.93 0.00 0.00 61.98 58.66 1d2b s VAL 69 Cb -0.01 -2.88 0.23 0.00 -1.53 0.00 0.00 36.38 32.18 1d2b s VAL 69 CO 0.04 0.00 1.59 0.00 -3.33 0.00 0.00 175.10 173.40 1d2b n GLY 71 N 2.45 1.15 2.77 0.00 0.00 -1.26 -3.49 105.19 106.81 1d2b n GLY 71 Ca 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 1d2b n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d2b s TYR 72 N 0.49 -1.07 -0.94 1.61 5.04 -1.26 -2.52 117.35 118.70 1d2b s TYR 72 Ca 0.00 -0.29 -0.24 0.00 -2.44 0.00 0.00 57.07 54.10 1d2b s TYR 72 Cb 0.00 0.21 -0.07 0.00 0.35 0.00 0.00 41.96 42.45 1d2b s TYR 72 CO 0.00 -0.83 1.99 -0.06 -1.34 0.00 0.00 175.55 175.32 1d2b s PHE 73 N 1.07 1.75 -0.31 4.97 0.40 -1.26 -4.91 117.98 119.70 1d2b s PHE 73 Ca 0.25 0.77 -0.11 0.00 -0.60 0.00 0.00 56.93 57.24 1d2b s PHE 73 Cb 0.05 -3.97 -0.02 0.00 0.51 0.00 0.00 43.02 39.59 1d2b s PHE 73 CO -0.08 -1.63 0.18 -1.58 0.70 0.00 0.00 175.22 172.82 1d2b s HIS 74 N 10.81 3.19 -0.49 0.36 5.65 -1.26 -5.03 115.29 128.52 1d2b s HIS 74 Ca 0.72 -0.26 0.03 0.00 0.25 0.00 0.00 55.06 55.80 1d2b s HIS 74 Cb -0.06 -2.39 0.15 0.00 -1.18 0.00 0.00 32.58 29.10 1d2b s HIS 74 CO 0.02 -0.34 0.30 -0.98 -0.65 0.00 0.00 174.74 173.10 1d2b s ARG 75 N 1.69 1.51 -0.25 2.88 3.03 -1.26 -5.05 118.95 121.49 1d2b s ARG 75 Ca 0.06 -2.32 -0.02 0.00 2.03 0.00 0.00 55.73 55.47 1d2b s ARG 75 Cb -0.17 -2.49 0.11 0.00 -1.03 0.00 0.00 34.95 31.37 1d2b s ARG 75 CO 0.09 -1.21 0.24 -1.12 -1.13 0.00 0.00 175.30 172.16 1d2b s SER 76 N -0.08 1.89 0.19 -2.89 0.01 -1.26 -5.03 113.70 106.54 1d2b s SER 76 Ca 0.21 -0.64 -0.15 0.00 1.31 0.00 0.00 55.95 56.68 1d2b s SER 76 Cb -0.17 0.30 0.18 0.00 0.21 0.00 0.00 66.02 66.54 1d2b s SER 76 CO -0.06 -0.37 1.65 1.12 0.41 0.00 0.00 173.24 175.99 1d2b h HIS 77 N 8.31 -0.25 -2.94 2.43 2.07 -1.99 -3.39 115.15 119.39 1d2b h HIS 77 Ca -0.16 0.05 -0.57 0.00 -2.85 0.00 0.00 60.37 56.84 1d2b h HIS 77 Cb 1.10 0.19 -0.04 0.00 2.57 0.00 0.00 27.41 31.23 1d2b h HIS 77 CO 0.22 -0.22 1.03 1.21 -3.07 0.00 0.00 177.93 177.11 1d2b s ASN 78 N -5.23 6.59 0.19 3.10 2.47 -1.26 -4.88 114.94 115.93 1d2b s ASN 78 Ca -0.14 1.49 0.26 0.00 0.42 0.00 0.00 52.86 54.89 1d2b s ASN 78 Cb 0.17 -2.54 0.77 0.00 -1.45 0.00 0.00 41.25 38.21 1d2b s ASN 78 CO 0.72 -1.10 1.73 -2.11 -3.72 0.00 0.00 177.10 172.62 1d2b n ARG 79 N 7.35 0.25 -0.19 0.43 0.00 -1.26 -2.86 116.66 120.38 1d2b n ARG 79 Ca 0.16 0.19 0.11 0.00 -0.00 0.00 0.00 57.85 58.32 1d2b n ARG 79 Cb 0.46 -1.78 0.25 0.00 -0.00 0.00 0.00 32.46 31.39 1d2b n ARG 79 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1d2b n SER 80 N -2.21 3.12 -4.71 2.89 7.64 -1.26 -3.82 113.62 115.28 1d2b n SER 80 Ca 0.05 -1.95 -0.42 0.00 1.01 0.00 0.00 58.87 57.57 1d2b n SER 80 Cb 0.43 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1d2b s GLU 81 N -1.51 4.55 1.05 1.43 2.56 -1.14 -5.01 118.70 120.63 1d2b s GLU 81 Ca 0.38 1.39 -0.13 0.00 0.00 0.00 0.00 54.97 56.62 1d2b s GLU 81 Cb 0.22 -3.46 0.22 0.00 2.00 0.00 0.00 34.13 33.10 1d2b s GLU 81 CO 0.30 -0.06 1.08 -2.00 -0.56 0.00 0.00 175.26 174.02 1d2b s GLU 82 N 1.07 0.05 0.32 4.30 -6.30 -1.26 -4.34 118.70 112.53 1d2b s GLU 82 Ca 0.51 0.56 -0.14 0.00 -2.50 0.00 0.00 54.97 53.40 1d2b s GLU 82 Cb -0.21 -1.69 0.02 0.00 0.00 0.00 0.00 34.13 32.26 1d2b s GLU 82 CO 0.27 -3.00 0.65 -0.06 0.02 0.00 0.00 175.26 173.13 1d2b s PHE 83 N -2.86 0.26 -0.12 5.30 0.08 0.24 -4.34 117.98 116.54 1d2b s PHE 83 Ca 0.66 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 57.00 1d2b s PHE 83 Cb -0.20 0.50 0.01 0.00 -0.57 0.00 0.00 43.02 42.76 1d2b s PHE 83 CO 0.59 -1.28 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.09 1d2b s LEU 84 N -3.05 1.86 -0.27 -0.37 1.98 0.33 -2.43 118.68 116.73 1d2b s LEU 84 Ca 0.19 -0.50 0.02 0.00 -2.89 0.00 0.00 54.13 50.94 1d2b s LEU 84 Cb -0.04 -1.23 0.07 0.00 0.66 0.00 0.00 46.19 45.66 1d2b s LEU 84 CO 0.11 0.03 -0.02 -0.63 -1.89 0.00 0.00 176.35 173.95 1d2b s ILE 85 N 0.98 1.70 -0.32 6.68 -1.09 0.13 -1.63 121.20 127.65 1d2b s ILE 85 Ca -0.05 -1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 56.69 1d2b s ILE 85 Cb -0.15 -2.05 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1d2b s ILE 85 CO -0.03 -0.28 0.24 0.00 -1.23 0.00 0.00 174.94 173.64 1d2b s ALA 86 N 1.27 3.52 0.00 9.38 0.00 0.68 0.23 121.76 136.84 1d2b s ALA 86 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1d2b s ALA 86 Cb -0.19 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1d2b s ALA 86 CO -0.09 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1d2b n GLY 87 N 5.07 3.29 3.08 0.00 0.00 0.76 -4.14 105.19 113.25 1d2b n GLY 87 Ca -0.13 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1d2b n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d2b s LYS 88 N -0.74 0.32 0.36 1.61 1.02 -1.25 0.17 119.74 121.24 1d2b s LYS 88 Ca 0.00 0.01 -0.24 0.00 0.02 0.00 0.00 55.97 55.75 1d2b s LYS 88 Cb 0.00 0.14 -0.10 0.00 -0.52 0.00 0.00 37.83 37.35 1d2b s LYS 88 CO 0.00 -0.06 0.95 -0.51 -0.92 0.00 0.00 175.35 174.81 1d2b s LEU 89 N -0.47 4.19 -0.23 3.17 1.43 -1.26 -3.05 118.68 122.47 1d2b s LEU 89 Ca -0.06 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1d2b s LEU 89 Cb -0.04 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 42.03 1d2b s LEU 89 CO 0.01 -0.19 -0.04 -1.10 0.23 0.00 0.00 176.35 175.26 1d2b s GLN 90 N -2.47 1.49 -0.27 1.70 -1.52 0.11 -4.82 119.66 113.89 1d2b s GLN 90 Ca 0.55 -0.90 0.00 0.00 -1.95 0.00 0.00 55.36 53.05 1d2b s GLN 90 Cb -0.15 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 1d2b s GLN 90 CO 0.20 -0.60 0.00 -0.25 -0.25 0.00 0.00 175.29 174.39 1d2b n ASP 91 N 4.73 -1.56 0.00 5.90 9.92 -1.26 -0.63 116.55 133.64 1d2b n ASP 91 Ca -0.12 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1d2b n ASP 91 Cb 0.45 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1d2b n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2b n GLY 92 N -0.48 1.41 3.39 0.44 0.00 -1.26 -5.11 105.19 103.58 1d2b n GLY 92 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1d2b n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d2b s LEU 93 N 0.00 2.33 0.61 0.99 1.43 0.19 -4.97 118.68 119.26 1d2b s LEU 93 Ca 0.00 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 1d2b s LEU 93 Cb 0.00 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1d2b s LEU 93 CO 0.00 0.19 1.12 -0.22 0.23 0.00 0.00 176.35 177.67 1d2b s LEU 94 N -2.01 3.56 -0.00 1.79 2.96 -1.26 -0.71 118.68 123.00 1d2b s LEU 94 Ca 0.14 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 1d2b s LEU 94 Cb -0.10 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.03 1d2b s LEU 94 CO 0.06 -1.44 -0.01 -1.00 -1.32 0.00 0.00 176.35 172.63 1d2b s HIS 95 N -2.07 0.14 0.05 5.38 3.76 -1.17 -0.39 115.29 120.98 1d2b s HIS 95 Ca 0.70 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 55.62 1d2b s HIS 95 Cb -0.22 -0.12 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 1d2b s HIS 95 CO 0.35 -0.02 -0.08 0.42 -0.85 0.00 0.00 174.74 174.56 1d2b s ILE 96 N 0.13 0.59 -0.02 0.60 -1.09 -1.14 -3.77 121.20 116.49 1d2b s ILE 96 Ca -0.01 -1.15 -0.05 0.00 -2.23 0.00 0.00 60.65 57.21 1d2b s ILE 96 Cb -0.02 -0.71 0.01 0.00 -1.58 0.00 0.00 42.46 40.15 1d2b s ILE 96 CO -0.00 -0.40 0.12 0.42 -1.23 0.00 0.00 174.94 173.84 1d2b s THR 97 N -1.52 0.04 -1.53 2.92 -4.23 -1.05 -4.46 115.64 105.81 1d2b s THR 97 Ca -0.08 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1d2b s THR 97 Cb -0.09 -0.29 0.02 0.00 1.34 0.00 0.00 72.50 73.49 1d2b s THR 97 CO 0.00 -0.19 0.79 0.35 -0.54 0.00 0.00 174.62 175.03 1d2b n THR 98 N 2.30 0.90 -1.38 3.99 -2.24 -1.16 0.27 114.28 116.96 1d2b n THR 98 Ca -0.17 0.23 0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1d2b n THR 98 Cb 0.57 -1.21 0.20 0.00 -2.10 0.00 0.00 70.33 67.80 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d2b s SER 100 N -2.80 3.34 -0.44 0.00 0.15 0.14 -4.67 113.70 109.42 1d2b s SER 100 Ca 0.39 -0.63 -0.27 0.00 0.70 0.00 0.00 55.95 56.15 1d2b s SER 100 Cb 0.36 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1d2b s SER 100 CO -0.01 0.23 2.09 0.12 1.20 0.00 0.00 173.24 176.87 1d2b s PHE 101 N -0.93 1.41 -0.25 3.44 2.19 -1.26 -4.73 117.98 117.84 1d2b s PHE 101 Ca 0.13 0.97 -0.02 0.00 0.33 0.00 0.00 56.93 58.34 1d2b s PHE 101 Cb -0.10 -3.90 0.13 0.00 -1.31 0.00 0.00 43.02 37.84 1d2b s PHE 101 CO 0.04 -2.84 0.34 0.08 1.83 0.00 0.00 175.22 174.67 1d2b s VAL 102 N 9.51 -0.52 0.33 3.12 1.01 -1.26 -0.23 120.40 132.35 1d2b s VAL 102 Ca 0.86 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.45 1d2b s VAL 102 Cb -0.20 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.37 1d2b s VAL 102 CO 0.28 -0.23 0.76 0.00 0.00 0.00 0.00 175.10 175.91 1d2b s ALA 103 N 2.47 -1.01 -0.09 5.51 0.00 -0.65 -4.97 121.76 123.02 1d2b s ALA 103 Ca 0.10 -0.51 -0.34 0.00 0.00 0.00 0.00 51.96 51.21 1d2b s ALA 103 Cb -0.15 0.76 -0.12 0.00 0.00 0.00 0.00 23.12 23.61 1d2b s ALA 103 CO -0.21 -1.01 1.88 -2.30 0.00 0.00 0.00 175.76 174.12 1d2b n PRO 104 N -0.50 2.18 -0.17 0.00 -0.02 -1.26 0.12 135.00 135.35 1d2b n PRO 104 Ca -0.06 0.80 -0.05 0.00 -2.02 0.00 0.00 63.50 62.17 1d2b n PRO 104 Cb 0.59 -2.65 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 1d2b n PRO 104 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1d2b h TRP 105 N 9.23 -0.78 -0.27 6.00 -0.00 -1.76 0.88 115.95 129.25 1d2b h TRP 105 Ca -0.48 0.06 0.08 0.00 -0.00 0.00 0.00 58.89 58.55 1d2b h TRP 105 Cb 1.27 0.42 -0.01 0.00 -0.00 0.00 0.00 29.16 30.84 1d2b h TRP 105 CO 0.88 -0.36 0.44 -0.91 -0.00 0.00 0.00 178.44 178.49 1d2b h ASN 106 N -0.16 0.00 0.88 2.65 4.21 -1.88 0.37 115.58 121.65 1d2b h ASN 106 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 1d2b h ASN 106 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1d2b h ASN 106 CO -0.62 0.00 -0.23 -0.24 -1.29 0.00 0.00 177.43 175.05 1d2b n SER 107 N -3.37 0.33 -3.91 5.81 2.88 0.30 -4.87 113.62 110.80 1d2b n SER 107 Ca 0.04 0.23 -0.30 0.00 -1.33 0.00 0.00 58.87 57.51 1d2b n SER 107 Cb 0.57 -0.22 0.21 0.00 -0.75 0.00 0.00 64.21 64.02 1d2b n SER 107 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1d2b s LEU 108 N -3.31 2.36 0.59 2.46 1.02 0.13 -5.04 118.68 116.89 1d2b s LEU 108 Ca 0.12 0.22 -0.10 0.00 0.02 0.00 0.00 54.13 54.39 1d2b s LEU 108 Cb 0.17 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 1d2b s LEU 108 CO 0.61 -3.16 0.98 -0.44 0.02 0.00 0.00 176.35 174.37 1d2b s SER 109 N -4.79 6.27 0.28 2.29 0.01 -1.26 -4.89 113.70 111.61 1d2b s SER 109 Ca 0.76 1.34 0.09 0.00 1.31 0.00 0.00 55.95 59.45 1d2b s SER 109 Cb -0.03 -2.43 0.39 0.00 0.21 0.00 0.00 66.02 64.16 1d2b s SER 109 CO 0.54 -0.79 1.64 0.17 0.41 0.00 0.00 173.24 175.21 1d2b h LEU 110 N -0.11 0.09 0.00 2.44 -0.00 -1.96 0.79 115.31 116.55 1d2b h LEU 110 Ca -0.45 -0.05 -0.22 0.00 -0.00 0.00 0.00 57.88 57.17 1d2b h LEU 110 Cb 1.19 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.79 1d2b h LEU 110 CO 0.62 0.63 -1.14 0.00 -0.00 0.00 0.00 178.44 178.55 1d2b h ALA 111 N 1.37 0.49 -0.01 0.17 0.00 -1.98 -2.25 119.26 117.06 1d2b h ALA 111 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1d2b h ALA 111 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1d2b h ALA 111 CO 0.08 1.26 -0.03 1.04 0.00 0.00 0.00 179.25 181.60 1d2b n GLN 112 N -3.25 1.18 0.03 0.00 1.13 -0.86 0.28 117.38 115.89 1d2b n GLN 112 Ca -0.04 -0.43 -0.17 0.00 -1.94 0.00 0.00 57.00 54.42 1d2b n GLN 112 Cb 0.94 -1.49 -0.14 0.00 0.11 0.00 0.00 30.24 29.66 1d2b n GLN 112 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1d2b h ARG 113 N 1.05 0.23 0.03 -1.09 9.65 0.76 -2.95 114.38 122.05 1d2b h ARG 113 Ca 0.00 -0.39 -0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1d2b h ARG 113 Cb 0.28 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1d2b h ARG 113 CO 0.00 1.06 -0.01 -0.09 2.80 0.00 0.00 179.97 183.72 1d2b h ARG 114 N 0.06 -0.04 -0.61 0.20 1.12 -0.62 -3.25 114.38 111.24 1d2b h ARG 114 Ca -0.31 0.00 0.12 0.00 -1.11 0.00 0.00 59.98 58.68 1d2b h ARG 114 Cb 2.03 0.01 -0.10 0.00 -0.01 0.00 0.00 29.97 31.90 1d2b h ARG 114 CO 0.13 0.01 0.04 0.78 -3.11 0.00 0.00 179.97 177.82 1d2b h GLY 115 N -1.01 0.69 2.00 2.80 0.00 0.39 1.25 103.07 109.18 1d2b h GLY 115 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1d2b h GLY 115 CO 0.01 -0.17 0.00 0.69 0.00 0.00 0.00 176.54 177.06 1d2b n PHE 116 N -5.23 0.33 0.04 5.60 3.72 -1.11 0.34 117.46 121.15 1d2b n PHE 116 Ca 0.09 0.16 0.06 0.00 -0.05 0.00 0.00 57.45 57.71 1d2b n PHE 116 Cb 0.35 -0.75 -0.07 0.00 -0.94 0.00 0.00 39.48 38.06 1d2b n PHE 116 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1d2b n THR 117 N -1.83 0.72 0.00 4.37 5.66 0.41 -4.75 114.28 118.86 1d2b n THR 117 Ca 0.01 -0.60 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1d2b n THR 117 Cb 0.08 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1d2b n THR 117 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1d2b n LYS 118 N -2.66 0.01 -0.00 1.09 2.85 0.71 -5.01 118.16 115.16 1d2b n LYS 118 Ca -0.06 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.30 1d2b n LYS 118 Cb 0.69 -0.50 -0.13 0.00 -0.65 0.00 0.00 35.03 34.43 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1d2b n THR 119 N -1.19 0.00 -0.58 0.58 -1.04 1.04 -4.60 114.28 108.48 1d2b n THR 119 Ca 0.00 -0.23 0.10 0.00 -2.04 0.00 0.00 64.05 61.88 1d2b n THR 119 Cb 0.00 0.56 0.36 0.00 -1.82 0.00 0.00 70.33 69.43 1d2b n THR 119 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1d2b n TYR 120 N -1.81 1.43 -0.02 -1.42 4.01 -0.40 -2.69 117.16 116.26 1d2b n TYR 120 Ca 0.00 -0.59 -0.01 0.00 -0.16 0.00 0.00 57.90 57.15 1d2b n TYR 120 Cb 0.41 -0.20 -0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1d2b n TYR 120 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1d2b h THR 121 N 4.22 0.00 0.00 -0.72 1.35 -1.84 -2.29 112.91 113.63 1d2b h THR 121 Ca 0.00 -0.27 -0.06 0.00 -0.55 0.00 0.00 66.41 65.52 1d2b h THR 121 Cb 1.39 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1d2b h THR 121 CO 0.20 0.00 -0.30 0.58 -0.25 0.00 0.00 175.52 175.74 1d2b h VAL 122 N -0.27 0.53 0.00 6.82 2.07 -1.88 -3.28 116.25 120.24 1d2b h VAL 122 Ca 0.00 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 1d2b h VAL 122 Cb 0.06 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1d2b h VAL 122 CO 0.00 0.30 -0.34 0.61 0.02 0.00 0.00 177.57 178.16 1d2b n GLY 123 N 1.08 4.58 3.12 2.17 0.00 -1.10 -5.03 105.19 110.01 1d2b n GLY 123 Ca 0.02 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b n GLU 125 N 6.20 0.00 0.00 0.00 0.28 -1.26 -3.95 120.64 121.90 1d2b n GLU 125 Ca 0.60 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.72 1d2b n GLU 125 Cb 0.08 -0.15 0.14 0.00 1.43 0.00 0.00 31.44 32.94 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36