#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 0.60 -3.66 0.00 5.66 -1.26 -4.74 114.28 110.88 1d2b n THR 2 Ca 0.00 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1d2b n THR 2 Cb 0.00 -2.22 0.00 0.00 -1.55 0.00 0.00 70.33 66.56 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 -0.82 4.97 -0.44 0.00 -7.23 -1.26 -4.88 120.40 110.74 1d2b s VAL 4 Ca 0.00 -1.00 -0.44 0.00 -1.81 0.00 0.00 61.98 58.73 1d2b s VAL 4 Cb 0.00 -3.63 -0.18 0.00 0.56 0.00 0.00 36.38 33.13 1d2b s VAL 4 CO 0.00 -0.22 1.78 -2.65 -0.31 0.00 0.00 175.10 173.69 1d2b n PRO 5 N -0.92 0.35 -3.38 4.82 -0.02 -1.26 -4.93 135.00 129.66 1d2b n PRO 5 Ca -0.08 0.12 -0.38 0.00 -2.02 0.00 0.00 63.50 61.15 1d2b n PRO 5 Cb 0.56 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 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 3.92 4.27 -0.01 0.52 0.04 -1.26 -4.98 135.00 137.49 1d2b s PRO 6 Ca 1.07 0.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 1d2b s PRO 6 Cb -1.35 -3.40 -0.08 0.00 0.04 0.00 0.00 34.50 29.70 1d2b s PRO 6 CO 0.73 0.25 0.44 0.72 0.04 0.00 0.00 177.00 179.18 1d2b n HIS 7 N 3.38 0.28 0.34 0.56 8.25 -1.26 -4.53 115.22 122.25 1d2b n HIS 7 Ca -0.09 0.43 0.15 0.00 -0.26 0.00 0.00 57.72 57.94 1d2b n HIS 7 Cb 0.52 -0.84 0.58 0.00 1.12 0.00 0.00 29.99 31.37 1d2b n HIS 7 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1d2b h PRO 8 N 1.25 0.00 -0.20 -0.41 0.13 -1.94 0.35 132.00 131.17 1d2b h PRO 8 Ca -0.20 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.83 1d2b h PRO 8 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1d2b h PRO 8 CO 0.27 0.00 -0.30 -0.56 -0.23 0.00 0.00 178.00 177.17 1d2b h GLN 9 N 0.00 0.41 0.06 0.86 -0.00 -1.86 1.10 115.11 115.68 1d2b h GLN 9 Ca 0.00 -0.16 -0.31 0.00 -0.00 0.00 0.00 58.65 58.17 1d2b h GLN 9 Cb 0.44 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 27.87 1d2b h GLN 9 CO 0.00 0.67 -1.73 2.41 -0.00 0.00 0.00 178.83 180.18 1d2b n THR 10 N -4.09 1.65 -0.21 1.86 -1.04 -0.81 -3.13 114.28 108.50 1d2b n THR 10 Ca -0.01 -0.36 -0.04 0.00 -2.04 0.00 0.00 64.05 61.60 1d2b n THR 10 Cb 0.43 -1.86 0.07 0.00 -1.82 0.00 0.00 70.33 67.14 1d2b n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d2b h ALA 11 N -0.24 0.80 -0.15 2.41 0.00 -0.26 0.54 119.26 122.36 1d2b h ALA 11 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1d2b h ALA 11 Cb 1.69 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1d2b h ALA 11 CO -0.08 0.06 0.00 0.34 0.00 0.00 0.00 179.25 179.57 1d2b n PHE 12 N -4.77 0.00 0.32 0.00 7.35 0.38 -2.36 117.46 118.38 1d2b n PHE 12 Ca 0.06 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.96 1d2b n PHE 12 Cb 0.11 -0.48 1.05 0.00 0.35 0.00 0.00 39.48 40.52 1d2b n PHE 12 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1d2b n ASN 14 N -3.17 1.29 -4.77 0.00 5.15 0.19 -4.90 115.26 109.04 1d2b n ASN 14 Ca -0.02 0.28 -0.38 0.00 -0.60 0.00 0.00 54.58 53.86 1d2b n ASN 14 Cb 0.14 -0.26 -0.02 0.00 -0.53 0.00 0.00 39.78 39.10 1d2b n ASN 14 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1d2b s SER 15 N -6.39 6.57 -0.06 1.20 0.15 -0.99 -4.92 113.70 109.26 1d2b s SER 15 Ca -0.13 2.26 0.19 0.00 0.70 0.00 0.00 55.95 58.98 1d2b s SER 15 Cb 0.07 -2.61 0.65 0.00 -1.71 0.00 0.00 66.02 62.43 1d2b s SER 15 CO 0.79 -0.63 1.56 0.47 1.20 0.00 0.00 173.24 176.63 1d2b n ASP 16 N 0.03 4.29 -3.42 5.45 8.00 -1.25 -4.83 116.55 124.83 1d2b n ASP 16 Ca 0.05 -2.27 0.01 0.00 0.71 0.00 0.00 54.79 53.29 1d2b n ASP 16 Cb 0.47 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.50 -1.01 -0.05 0.64 1.43 0.36 -4.37 118.68 114.17 1d2b s LEU 17 Ca 0.48 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1d2b s LEU 17 Cb 0.29 2.03 0.03 0.00 0.03 0.00 0.00 46.19 48.56 1d2b s LEU 17 CO 0.26 -0.19 0.01 -0.69 0.23 0.00 0.00 176.35 175.97 1d2b s VAL 18 N 2.79 0.24 0.20 -1.59 1.01 0.20 0.28 120.40 123.53 1d2b s VAL 18 Ca 0.02 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1d2b s VAL 18 Cb -0.11 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1d2b s VAL 18 CO -0.18 0.21 0.57 0.27 0.00 0.00 0.00 175.10 175.96 1d2b s ILE 19 N 1.65 0.02 -0.20 2.22 -0.00 0.49 0.43 121.20 125.80 1d2b s ILE 19 Ca -0.01 -0.65 -0.09 0.00 -0.00 0.00 0.00 60.65 59.90 1d2b s ILE 19 Cb -0.13 -1.52 -0.05 0.00 -0.00 0.00 0.00 42.46 40.76 1d2b s ILE 19 CO -0.03 -0.08 0.11 0.00 -0.00 0.00 0.00 174.94 174.94 1d2b s ARG 20 N -3.85 4.13 0.35 0.37 1.70 0.14 0.43 118.95 122.21 1d2b s ARG 20 Ca 0.08 -0.25 -0.13 0.00 -0.47 0.00 0.00 55.73 54.96 1d2b s ARG 20 Cb -0.02 -3.37 0.03 0.00 -0.57 0.00 0.00 34.95 31.02 1d2b s ARG 20 CO -0.03 0.28 0.67 0.00 -1.08 0.00 0.00 175.30 175.14 1d2b s ALA 21 N 0.39 -0.35 0.07 7.88 0.00 -0.93 -0.21 121.76 128.60 1d2b s ALA 21 Ca 0.07 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.21 1d2b s ALA 21 Cb -0.11 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1d2b s ALA 21 CO -0.01 -0.93 -0.26 0.15 0.00 0.00 0.00 175.76 174.71 1d2b s LYS 22 N -2.89 1.73 -0.22 0.00 1.02 0.45 0.15 119.74 119.98 1d2b s LYS 22 Ca 0.20 -1.16 -0.17 0.00 0.02 0.00 0.00 55.97 54.86 1d2b s LYS 22 Cb -0.04 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1d2b s LYS 22 CO 0.13 0.50 0.46 -0.06 -0.92 0.00 0.00 175.35 175.46 1d2b s PHE 23 N -0.88 3.34 -0.27 3.18 0.40 -1.26 0.34 117.98 122.82 1d2b s PHE 23 Ca 0.13 0.64 0.20 0.00 -0.60 0.00 0.00 56.93 57.30 1d2b s PHE 23 Cb -0.10 -2.62 0.50 0.00 0.51 0.00 0.00 43.02 41.31 1d2b s PHE 23 CO 0.03 -0.12 1.12 1.33 0.70 0.00 0.00 175.22 178.28 1d2b n VAL 24 N 4.67 1.48 -3.62 -0.44 0.24 -0.92 -4.45 118.33 115.29 1d2b n VAL 24 Ca -0.06 -3.17 -0.01 0.00 -2.04 0.00 0.00 64.34 59.06 1d2b n VAL 24 Cb 0.51 0.84 -0.01 0.00 -1.47 0.00 0.00 33.84 33.70 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 -3.74 -0.36 0.10 7.63 0.00 -0.90 -4.68 107.32 105.37 1d2b s GLY 25 Ca 0.31 0.96 0.04 0.00 0.00 0.00 0.00 44.72 46.03 1d2b s GLY 25 CO -0.02 0.26 0.07 -1.08 0.00 0.00 0.00 173.10 172.32 1d2b s THR 26 N -2.53 4.40 0.08 0.90 -1.32 -1.26 -3.95 115.64 111.96 1d2b s THR 26 Ca 0.12 -0.89 -0.31 0.00 -1.21 0.00 0.00 61.69 59.41 1d2b s THR 26 Cb 0.02 -3.14 -0.07 0.00 -1.51 0.00 0.00 72.50 67.80 1d2b s THR 26 CO -0.04 0.08 1.31 -2.16 -2.21 0.00 0.00 174.62 171.60 1d2b s PRO 27 N -2.52 4.36 -0.37 7.08 0.04 -1.26 -4.25 135.00 138.09 1d2b s PRO 27 Ca 0.29 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 63.06 1d2b s PRO 27 Cb -0.12 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.11 1d2b s PRO 27 CO 0.21 -0.38 0.66 -1.21 0.04 0.00 0.00 177.00 176.32 1d2b s GLU 28 N 1.20 3.64 -0.56 4.56 2.02 -1.13 -4.80 118.70 123.63 1d2b s GLU 28 Ca 0.62 0.03 -0.11 0.00 0.02 0.00 0.00 54.97 55.54 1d2b s GLU 28 Cb -0.33 -3.83 0.14 0.00 0.10 0.00 0.00 34.13 30.21 1d2b s GLU 28 CO 0.29 -0.78 0.46 0.08 0.02 0.00 0.00 175.26 175.33 1d2b s VAL 29 N 2.77 4.59 0.57 2.63 1.01 -1.26 -2.56 120.40 128.15 1d2b s VAL 29 Ca 0.25 -1.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.08 1d2b s VAL 29 Cb -0.14 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1d2b s VAL 29 CO 0.16 -0.85 1.16 0.21 0.00 0.00 0.00 175.10 175.78 1d2b s ASN 30 N 2.58 5.49 0.00 3.32 2.47 -1.26 -4.88 114.94 122.66 1d2b s ASN 30 Ca 0.08 2.27 0.28 0.00 0.42 0.00 0.00 52.86 55.91 1d2b s ASN 30 Cb -0.24 -2.59 1.34 0.00 -1.45 0.00 0.00 41.25 38.31 1d2b s ASN 30 CO -0.02 -1.38 1.94 0.00 -3.72 0.00 0.00 177.10 173.92 1d2b n GLN 31 N -1.44 0.28 -2.75 0.43 1.13 -1.26 -3.77 117.38 110.00 1d2b n GLN 31 Ca 0.12 0.02 -0.04 0.00 -1.94 0.00 0.00 57.00 55.17 1d2b n GLN 31 Cb 0.50 -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 0.99 -0.01 5.09 -1.04 -1.26 -4.86 114.28 111.84 1d2b n THR 32 Ca 0.11 -2.72 -0.05 0.00 -2.04 0.00 0.00 64.05 59.35 1d2b n THR 32 Cb 0.25 1.03 -0.02 0.00 -1.82 0.00 0.00 70.33 69.78 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 -0.49 0.76 -0.39 12.58 5.66 -1.25 -4.99 114.28 126.16 1d2b n THR 33 Ca 0.05 0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1d2b n THR 33 Cb 0.82 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.93 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 -3.47 0.00 -4.08 1.09 4.77 -1.26 -4.92 117.00 109.13 1d2b n LEU 34 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 1d2b n LEU 34 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1d2b n LEU 34 CO 0.02 0.00 -0.07 -0.72 -1.33 0.00 0.00 177.39 175.30 1d2b s TYR 35 N -2.79 0.72 0.37 -1.77 1.13 -1.26 0.58 117.35 114.33 1d2b s TYR 35 Ca 0.00 -1.03 0.05 0.00 -1.41 0.00 0.00 57.07 54.68 1d2b s TYR 35 Cb 0.00 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1d2b s TYR 35 CO 0.00 -0.75 0.18 -0.65 -2.51 0.00 0.00 175.55 171.81 1d2b s GLN 36 N -4.06 1.82 -0.29 -3.49 -0.21 0.57 -4.02 119.66 109.98 1d2b s GLN 36 Ca 0.28 -2.09 -0.02 0.00 0.02 0.00 0.00 55.36 53.55 1d2b s GLN 36 Cb 0.04 -0.25 0.12 0.00 1.00 0.00 0.00 33.01 33.92 1d2b s GLN 36 CO 0.07 -0.53 0.21 -0.98 -2.12 0.00 0.00 175.29 171.95 1d2b s ARG 37 N -3.65 0.26 0.49 2.91 3.03 -1.06 -2.24 118.95 118.69 1d2b s ARG 37 Ca 0.31 -0.36 -0.19 0.00 2.03 0.00 0.00 55.73 57.51 1d2b s ARG 37 Cb 0.03 -0.92 -0.09 0.00 -1.03 0.00 0.00 34.95 32.94 1d2b s ARG 37 CO 0.19 -1.03 1.00 0.71 -1.13 0.00 0.00 175.30 175.04 1d2b s TYR 38 N 2.20 3.20 -0.07 5.89 1.51 -0.76 -2.85 117.35 126.48 1d2b s TYR 38 Ca 0.09 1.56 -0.05 0.00 -1.01 0.00 0.00 57.07 57.66 1d2b s TYR 38 Cb -0.15 -2.93 -0.04 0.00 -0.11 0.00 0.00 41.96 38.74 1d2b s TYR 38 CO -0.34 -0.52 0.14 -1.21 -1.11 0.00 0.00 175.55 172.50 1d2b s GLU 39 N -3.50 3.36 -0.10 -0.62 2.02 -1.25 -1.43 118.70 117.18 1d2b s GLU 39 Ca 0.63 -0.25 -0.07 0.00 0.02 0.00 0.00 54.97 55.30 1d2b s GLU 39 Cb -0.12 -3.10 0.03 0.00 0.10 0.00 0.00 34.13 31.04 1d2b s GLU 39 CO 0.22 0.73 0.25 0.96 0.02 0.00 0.00 175.26 177.44 1d2b s ILE 40 N -1.12 -0.01 -1.11 -1.63 -4.36 -0.78 -2.12 121.20 110.06 1d2b s ILE 40 Ca 0.19 0.05 -0.22 0.00 -0.26 0.00 0.00 60.65 60.41 1d2b s ILE 40 Cb -0.12 -0.36 -0.01 0.00 1.25 0.00 0.00 42.46 43.23 1d2b s ILE 40 CO 0.09 0.02 1.77 -0.75 0.24 0.00 0.00 174.94 176.32 1d2b s LYS 41 N 0.51 3.15 0.17 0.37 2.47 1.04 -4.74 119.74 122.71 1d2b s LYS 41 Ca -0.03 -1.16 -0.33 0.00 -1.56 0.00 0.00 55.97 52.89 1d2b s LYS 41 Cb -0.05 -5.30 -0.13 0.00 -1.46 0.00 0.00 37.83 30.89 1d2b s LYS 41 CO -0.03 -2.98 1.69 -0.12 0.16 0.00 0.00 175.35 174.07 1d2b n MET 42 N 8.59 2.50 -0.03 4.03 0.00 -1.26 -0.41 117.12 130.54 1d2b n MET 42 Ca 0.42 0.90 -0.02 0.00 -0.00 0.00 0.00 57.70 59.00 1d2b n MET 42 Cb 0.48 -2.72 -0.01 0.00 0.00 0.00 0.00 33.22 30.96 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 3.89 0.52 -3.68 1.12 -1.04 0.71 -4.88 114.28 110.93 1d2b n THR 43 Ca 0.17 0.39 -0.11 0.00 -2.04 0.00 0.00 64.05 62.46 1d2b n THR 43 Cb 0.32 -1.82 -0.06 0.00 -1.82 0.00 0.00 70.33 66.96 1d2b n THR 43 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1d2b s LYS 44 N -1.52 0.96 -0.09 -2.82 -0.14 -0.38 -5.01 119.74 110.75 1d2b s LYS 44 Ca -0.07 -0.58 -0.08 0.00 -1.36 0.00 0.00 55.97 53.88 1d2b s LYS 44 Cb 0.01 0.42 -0.04 0.00 -1.68 0.00 0.00 37.83 36.54 1d2b s LYS 44 CO 0.10 -0.35 0.19 0.00 -0.76 0.00 0.00 175.35 174.53 1d2b s MET 45 N -3.18 3.52 0.00 1.68 0.23 -1.26 -0.68 119.30 119.61 1d2b s MET 45 Ca -0.01 -0.05 0.00 0.00 -1.03 0.00 0.00 55.69 54.61 1d2b s MET 45 Cb 0.01 -3.19 0.00 0.00 -1.53 0.00 0.00 34.83 30.12 1d2b s MET 45 CO -0.07 0.76 0.90 0.66 -2.03 0.00 0.00 175.02 175.23 1d2b n TYR 46 N 1.87 0.00 0.00 3.16 4.02 0.17 -4.91 117.16 121.47 1d2b n TYR 46 Ca -0.18 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.30 1d2b n TYR 46 Cb 0.54 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1d2b n TYR 46 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1d2b n LYS 47 N -0.40 0.00 0.00 -0.72 0.00 0.61 -4.80 118.16 112.84 1d2b n LYS 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1d2b n LYS 47 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.32 1d2b n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d2b n GLY 48 N 0.00 -0.90 0.31 3.14 0.00 -1.26 0.61 105.19 107.08 1d2b n GLY 48 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.26 -0.57 1.61 -1.00 -1.91 5.97 116.94 120.77 1d2b h PHE 49 Ca 0.00 0.07 0.12 0.00 2.81 0.00 0.00 57.97 60.97 1d2b h PHE 49 Cb 0.00 0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 1d2b h PHE 49 CO 0.00 -0.34 0.39 -0.56 -1.61 0.00 0.00 178.31 176.19 1d2b h GLN 50 N 0.03 0.24 0.00 1.51 3.07 -1.96 0.28 115.11 118.28 1d2b h GLN 50 Ca 0.44 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.17 1d2b h GLN 50 Cb 0.76 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.26 1d2b h GLN 50 CO -0.82 0.16 -1.31 0.00 0.09 0.00 0.00 178.83 176.95 1d2b n ALA 51 N -2.56 3.64 -3.81 0.06 0.00 0.53 -4.60 120.51 113.76 1d2b n ALA 51 Ca 0.10 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.75 1d2b n ALA 51 Cb 0.46 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 1d2b n ALA 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1d2b s LEU 52 N -3.83 3.78 -0.15 0.00 0.20 1.82 -4.83 118.68 115.67 1d2b s LEU 52 Ca 0.01 -3.25 0.01 0.00 0.69 0.00 0.00 54.13 51.60 1d2b s LEU 52 Cb 0.15 -1.35 -0.23 0.00 -0.43 0.00 0.00 46.19 44.32 1d2b s LEU 52 CO 0.86 -0.18 0.24 0.61 -0.29 0.00 0.00 176.35 177.58 1d2b n GLY 53 N 2.74 -0.62 0.00 7.98 0.00 -0.81 -3.91 105.19 110.57 1d2b n GLY 53 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1d2b n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d2b n ASP 54 N -3.28 0.00 0.00 1.61 2.03 -1.26 -5.03 116.55 110.62 1d2b n ASP 54 Ca -0.33 0.00 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1d2b n ASP 54 Cb 1.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.44 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d2b n ALA 55 N -3.00 0.44 -2.75 -1.67 0.00 -1.26 -4.99 120.51 107.28 1d2b n ALA 55 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1d2b n ALA 55 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.51 4.96 -0.09 0.00 0.00 -1.26 -4.78 120.51 118.83 1d2b n ALA 56 Ca 0.00 -4.57 0.05 0.00 0.00 0.00 0.00 53.44 48.92 1d2b n ALA 56 Cb 0.00 -0.82 0.25 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.32 3.78 -3.67 0.00 8.00 -1.26 -4.71 116.55 118.37 1d2b n ASP 57 Ca 0.35 -2.51 -0.18 0.00 0.71 0.00 0.00 54.79 53.16 1d2b n ASP 57 Cb 0.46 -0.58 -0.17 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.01 -0.20 0.00 0.53 1.01 -1.26 -4.88 121.20 114.39 1d2b s ILE 58 Ca 0.34 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1d2b s ILE 58 Cb 0.25 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.48 1d2b s ILE 58 CO 0.11 0.16 0.00 0.54 0.00 0.00 0.00 174.94 175.75 1d2b n ARG 59 N 5.31 0.61 -3.79 2.79 1.74 -1.26 -4.72 116.66 117.33 1d2b n ARG 59 Ca -0.04 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 1d2b n ARG 59 Cb 0.50 -0.27 -0.09 0.00 -1.02 0.00 0.00 32.46 31.58 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 -0.81 -0.15 -0.21 -1.55 0.40 -1.26 -1.88 117.98 112.53 1d2b s PHE 60 Ca 0.00 0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1d2b s PHE 60 Cb 0.00 0.06 -0.01 0.00 0.51 0.00 0.00 43.02 43.58 1d2b s PHE 60 CO 0.00 -0.32 -0.05 0.14 0.70 0.00 0.00 175.22 175.69 1d2b s VAL 61 N -1.08 3.38 -0.43 -0.44 -7.23 -0.51 -3.92 120.40 110.16 1d2b s VAL 61 Ca -0.11 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 1d2b s VAL 61 Cb -0.05 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.43 1d2b s VAL 61 CO 0.03 0.44 0.30 -0.31 -0.31 0.00 0.00 175.10 175.25 1d2b s TYR 62 N 1.29 3.29 0.14 2.82 1.51 0.31 -1.82 117.35 124.88 1d2b s TYR 62 Ca 0.03 -1.21 0.11 0.00 -1.01 0.00 0.00 57.07 54.99 1d2b s TYR 62 Cb -0.14 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.71 1d2b s TYR 62 CO -0.02 -0.80 -0.26 -0.08 -1.11 0.00 0.00 175.55 173.28 1d2b s THR 63 N 1.53 2.24 0.29 -0.71 -1.32 -0.95 -3.11 115.64 113.61 1d2b s THR 63 Ca 0.03 -1.79 -0.30 0.00 -1.21 0.00 0.00 61.69 58.42 1d2b s THR 63 Cb -0.23 -1.99 -0.12 0.00 -1.51 0.00 0.00 72.50 68.65 1d2b s THR 63 CO 0.05 0.05 1.56 -2.65 -2.21 0.00 0.00 174.62 171.42 1d2b n PRO 64 N 0.83 2.59 -3.30 7.08 -0.02 -1.25 0.21 135.00 141.14 1d2b n PRO 64 Ca -0.17 0.92 -0.46 0.00 -2.02 0.00 0.00 63.50 61.77 1d2b n PRO 64 Cb 0.53 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 1d2b n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2b s ALA 65 N -0.08 3.66 0.13 3.55 0.00 2.42 -3.53 121.76 127.92 1d2b s ALA 65 Ca 0.64 -2.57 -0.05 0.00 0.00 0.00 0.00 51.96 49.99 1d2b s ALA 65 Cb -0.52 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 1d2b s ALA 65 CO 0.50 -2.06 0.15 -1.64 0.00 0.00 0.00 175.76 172.70 1d2b s MET 66 N 1.59 0.98 0.03 0.00 -1.94 -1.26 -4.24 119.30 114.45 1d2b s MET 66 Ca 0.05 -1.28 -0.13 0.00 -1.71 0.00 0.00 55.69 52.62 1d2b s MET 66 Cb -0.28 0.30 -0.07 0.00 2.01 0.00 0.00 34.83 36.79 1d2b s MET 66 CO 0.02 -0.31 1.19 1.49 -0.01 0.00 0.00 175.02 177.41 1d2b h GLU 67 N 2.76 -0.39 -0.88 2.03 4.22 -2.01 -3.07 114.58 117.24 1d2b h GLU 67 Ca -0.34 0.03 -0.25 0.00 0.08 0.00 0.00 59.36 58.88 1d2b h GLU 67 Cb 1.20 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.39 1d2b h GLU 67 CO 0.55 -0.26 0.32 -1.13 -2.18 0.00 0.00 179.01 176.31 1d2b n SER 68 N -3.33 4.01 -2.90 1.04 3.41 -1.26 -4.95 113.62 109.63 1d2b n SER 68 Ca -0.05 -3.05 -0.11 0.00 -0.26 0.00 0.00 58.87 55.39 1d2b n SER 68 Cb 0.17 -0.72 0.09 0.00 -0.26 0.00 0.00 64.21 63.50 1d2b n SER 68 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1d2b n VAL 69 N -0.30 0.00 -0.01 -3.33 3.14 -1.16 -0.35 118.33 116.31 1d2b n VAL 69 Ca 0.37 -0.18 -0.01 0.00 -2.96 0.00 0.00 64.34 61.57 1d2b n VAL 69 Cb 1.26 -1.07 -0.00 0.00 -1.06 0.00 0.00 33.84 32.96 1d2b n VAL 69 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1d2b n GLY 71 N 1.64 1.35 2.83 0.00 0.00 -1.23 -4.09 105.19 105.69 1d2b n GLY 71 Ca -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -1.07 -0.87 1.61 6.14 -1.26 -3.41 117.35 118.49 1d2b s TYR 72 Ca 0.00 -0.16 -0.25 0.00 0.64 0.00 0.00 57.07 57.30 1d2b s TYR 72 Cb 0.00 0.21 -0.08 0.00 0.42 0.00 0.00 41.96 42.50 1d2b s TYR 72 CO 0.00 -0.80 2.11 -0.06 0.64 0.00 0.00 175.55 177.44 1d2b s PHE 73 N 1.30 1.57 -0.59 4.97 0.40 -1.26 -4.87 117.98 119.50 1d2b s PHE 73 Ca 0.23 1.12 -0.18 0.00 -0.60 0.00 0.00 56.93 57.50 1d2b s PHE 73 Cb 0.03 -3.82 0.12 0.00 0.51 0.00 0.00 43.02 39.85 1d2b s PHE 73 CO -0.09 -1.67 0.66 -1.58 0.70 0.00 0.00 175.22 173.24 1d2b s HIS 74 N 11.82 3.09 -0.82 0.36 5.65 -1.26 -4.94 115.29 129.19 1d2b s HIS 74 Ca 0.78 -1.10 0.02 0.00 0.25 0.00 0.00 55.06 55.01 1d2b s HIS 74 Cb -0.09 -3.95 0.31 0.00 -1.18 0.00 0.00 32.58 27.67 1d2b s HIS 74 CO 0.03 -1.21 1.31 0.54 -0.65 0.00 0.00 174.74 174.75 1d2b n ARG 75 N 5.96 4.10 -3.60 2.88 1.74 -1.26 -4.94 116.66 121.54 1d2b n ARG 75 Ca -0.10 -4.72 -0.29 0.00 -0.77 0.00 0.00 57.85 51.97 1d2b n ARG 75 Cb 0.42 -2.36 -0.14 0.00 -1.02 0.00 0.00 32.46 29.36 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1d2b s SER 76 N -2.33 3.53 0.38 0.55 0.01 -1.26 -4.98 113.70 109.60 1d2b s SER 76 Ca 0.41 -1.84 0.14 0.00 1.31 0.00 0.00 55.95 55.98 1d2b s SER 76 Cb 0.19 -0.61 0.98 0.00 0.21 0.00 0.00 66.02 66.79 1d2b s SER 76 CO -0.08 -0.37 1.82 1.12 0.41 0.00 0.00 173.24 176.14 1d2b h HIS 77 N 7.68 0.72 -2.57 2.43 2.07 -2.00 -3.38 115.15 120.09 1d2b h HIS 77 Ca -0.08 0.02 -0.56 0.00 -2.85 0.00 0.00 60.37 56.90 1d2b h HIS 77 Cb 0.99 -0.22 -0.03 0.00 2.57 0.00 0.00 27.41 30.72 1d2b h HIS 77 CO 0.38 0.17 1.27 1.21 -3.07 0.00 0.00 177.93 177.89 1d2b s ASN 78 N -5.53 5.79 0.00 3.10 3.84 -1.26 -4.84 114.94 116.04 1d2b s ASN 78 Ca -0.09 1.03 0.29 0.00 0.21 0.00 0.00 52.86 54.29 1d2b s ASN 78 Cb 0.24 -2.53 1.18 0.00 -0.55 0.00 0.00 41.25 39.59 1d2b s ASN 78 CO 0.79 -1.84 1.87 -2.11 -2.79 0.00 0.00 177.10 173.03 1d2b n ARG 79 N 8.56 0.10 -0.08 0.43 1.85 -1.26 -3.01 116.66 123.26 1d2b n ARG 79 Ca 0.22 -0.01 0.10 0.00 -1.00 0.00 0.00 57.85 57.15 1d2b n ARG 79 Cb 0.48 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.52 1d2b n ARG 79 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1d2b n SER 80 N -1.44 2.90 -4.71 2.89 3.41 -1.26 -4.19 113.62 111.22 1d2b n SER 80 Ca 0.08 -1.87 -0.42 0.00 -0.26 0.00 0.00 58.87 56.41 1d2b n SER 80 Cb 0.32 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1d2b s GLU 81 N -1.49 4.54 1.04 4.33 2.56 -1.16 -5.00 118.70 123.51 1d2b s GLU 81 Ca 0.28 1.32 -0.13 0.00 0.00 0.00 0.00 54.97 56.44 1d2b s GLU 81 Cb 0.18 -3.46 0.21 0.00 2.00 0.00 0.00 34.13 33.06 1d2b s GLU 81 CO 0.26 -0.02 1.09 -1.21 -0.56 0.00 0.00 175.26 174.81 1d2b s GLU 82 N 0.95 0.12 0.32 4.30 0.41 -1.26 -4.34 118.70 119.21 1d2b s GLU 82 Ca 0.49 0.49 -0.16 0.00 -0.41 0.00 0.00 54.97 55.38 1d2b s GLU 82 Cb -0.20 -1.70 0.03 0.00 -1.78 0.00 0.00 34.13 30.47 1d2b s GLU 82 CO 0.26 -2.94 0.70 -0.06 -0.49 0.00 0.00 175.26 172.73 1d2b s PHE 83 N -2.92 0.10 -0.13 1.61 0.08 0.40 -4.42 117.98 112.71 1d2b s PHE 83 Ca 0.66 -0.62 0.03 0.00 0.12 0.00 0.00 56.93 57.12 1d2b s PHE 83 Cb -0.19 0.63 0.01 0.00 -0.57 0.00 0.00 43.02 42.90 1d2b s PHE 83 CO 0.58 -1.33 -0.21 -1.17 -0.10 0.00 0.00 175.22 172.98 1d2b s LEU 84 N -3.02 2.05 -0.25 -0.37 1.98 0.32 -2.20 118.68 117.19 1d2b s LEU 84 Ca 0.16 -0.57 -0.00 0.00 -2.89 0.00 0.00 54.13 50.83 1d2b s LEU 84 Cb -0.05 -1.38 0.07 0.00 0.66 0.00 0.00 46.19 45.50 1d2b s LEU 84 CO 0.10 0.09 0.01 -0.63 -1.89 0.00 0.00 176.35 174.03 1d2b s ILE 85 N 0.72 1.19 -0.36 6.68 1.01 0.17 -1.71 121.20 128.91 1d2b s ILE 85 Ca -0.10 -1.20 -0.17 0.00 0.00 0.00 0.00 60.65 59.18 1d2b s ILE 85 Cb -0.16 -1.66 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 1d2b s ILE 85 CO 0.01 -0.31 0.46 0.00 0.00 0.00 0.00 174.94 175.10 1d2b s ALA 86 N 1.52 3.47 -0.28 9.38 0.00 0.62 -0.38 121.76 136.08 1d2b s ALA 86 Ca 0.01 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 1d2b s ALA 86 Cb -0.18 -2.97 0.09 0.00 0.00 0.00 0.00 23.12 20.06 1d2b s ALA 86 CO -0.11 -1.23 0.78 0.20 0.00 0.00 0.00 175.76 175.40 1d2b s GLY 87 N 1.77 -0.45 1.05 0.00 0.00 0.80 -4.30 107.32 106.18 1d2b s GLY 87 Ca 0.16 2.50 -0.17 0.00 0.00 0.00 0.00 44.72 47.21 1d2b s GLY 87 CO 0.13 2.25 1.23 0.54 0.00 0.00 0.00 173.10 177.25 1d2b s LYS 88 N 1.17 -0.03 -0.25 2.90 1.02 -0.86 0.13 119.74 123.82 1d2b s LYS 88 Ca -0.06 -0.23 -0.04 0.00 0.02 0.00 0.00 55.97 55.66 1d2b s LYS 88 Cb -0.05 -1.75 0.01 0.00 -0.52 0.00 0.00 37.83 35.52 1d2b s LYS 88 CO -0.13 -2.89 -0.01 -0.51 -0.92 0.00 0.00 175.35 170.89 1d2b s LEU 89 N -6.30 3.30 -0.32 3.17 1.43 -1.26 0.59 118.68 119.29 1d2b s LEU 89 Ca 0.72 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 1d2b s LEU 89 Cb -0.07 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 1d2b s LEU 89 CO 0.54 -0.11 0.33 -1.58 0.23 0.00 0.00 176.35 175.76 1d2b s GLN 90 N 1.42 3.70 -0.83 1.70 2.00 0.19 -4.48 119.66 123.37 1d2b s GLN 90 Ca 0.03 -0.33 -0.06 0.00 -2.00 0.00 0.00 55.36 53.00 1d2b s GLN 90 Cb -0.16 -3.76 0.05 0.00 0.80 0.00 0.00 33.01 29.95 1d2b s GLN 90 CO -0.02 -0.43 0.22 -0.25 -0.50 0.00 0.00 175.29 174.31 1d2b n ASP 91 N 5.31 -2.47 0.00 6.67 9.92 -1.26 -0.79 116.55 133.93 1d2b n ASP 91 Ca -0.10 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1d2b n ASP 91 Cb 0.50 -2.14 0.00 0.00 -0.64 0.00 0.00 41.12 38.84 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 -0.82 0.69 3.35 0.44 0.00 -1.26 -5.10 105.19 102.48 1d2b n GLY 92 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 2.30 0.44 0.99 2.01 0.02 -5.09 118.68 119.36 1d2b s LEU 93 Ca 0.00 -0.71 -0.25 0.00 0.01 0.00 0.00 54.13 53.18 1d2b s LEU 93 Cb 0.00 -1.10 -0.09 0.00 0.01 0.00 0.00 46.19 45.01 1d2b s LEU 93 CO 0.00 0.14 1.37 -0.11 1.01 0.00 0.00 176.35 178.77 1d2b n LEU 94 N 1.05 4.72 -3.93 1.79 -0.00 -1.25 0.57 117.00 119.95 1d2b n LEU 94 Ca -0.18 1.11 -0.18 0.00 -0.00 0.00 0.00 56.01 56.76 1d2b n LEU 94 Cb 0.53 -1.57 -0.15 0.00 -0.00 0.00 0.00 43.42 42.23 1d2b n LEU 94 CO 0.23 -0.34 -0.41 -1.00 -0.00 0.00 0.00 177.39 175.87 1d2b s HIS 95 N -1.20 0.60 0.31 1.96 3.76 0.20 0.11 115.29 121.03 1d2b s HIS 95 Ca 0.61 -0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 55.25 1d2b s HIS 95 Cb -0.47 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 32.76 1d2b s HIS 95 CO 0.58 -0.09 0.62 0.96 -0.85 0.00 0.00 174.74 175.96 1d2b s ILE 96 N 0.34 0.00 0.22 0.60 -0.00 -1.18 -2.03 121.20 119.15 1d2b s ILE 96 Ca -0.04 -1.22 -0.21 0.00 -0.00 0.00 0.00 60.65 59.18 1d2b s ILE 96 Cb -0.08 -2.38 0.04 0.00 -0.00 0.00 0.00 42.46 40.04 1d2b s ILE 96 CO -0.00 0.00 0.63 0.42 -0.00 0.00 0.00 174.94 175.99 1d2b s THR 97 N -3.42 0.01 -1.80 8.37 -4.23 -1.24 -4.21 115.64 109.11 1d2b s THR 97 Ca 0.19 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1d2b s THR 97 Cb -0.03 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1d2b s THR 97 CO 0.11 -0.02 0.61 1.07 -0.54 0.00 0.00 174.62 175.84 1d2b n THR 98 N -0.40 0.00 -0.37 3.99 5.66 -1.22 -1.30 114.28 120.64 1d2b n THR 98 Ca -0.10 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.93 1d2b n THR 98 Cb 0.62 -0.20 0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s SER 100 N -1.64 4.28 -0.40 0.00 0.01 -0.42 -4.60 113.70 110.93 1d2b s SER 100 Ca 0.11 -0.56 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1d2b s SER 100 Cb 0.10 -0.74 -0.06 0.00 0.21 0.00 0.00 66.02 65.53 1d2b s SER 100 CO 0.01 0.11 2.34 0.12 0.41 0.00 0.00 173.24 176.23 1d2b s PHE 101 N -1.68 1.11 -0.26 2.43 2.19 -1.26 -4.86 117.98 115.65 1d2b s PHE 101 Ca 0.25 1.23 -0.01 0.00 0.33 0.00 0.00 56.93 58.72 1d2b s PHE 101 Cb -0.09 -3.70 0.13 0.00 -1.31 0.00 0.00 43.02 38.06 1d2b s PHE 101 CO 0.15 -3.03 0.35 0.08 1.83 0.00 0.00 175.22 174.60 1d2b s VAL 102 N 10.92 -0.54 0.32 3.12 1.01 -1.26 -0.28 120.40 133.69 1d2b s VAL 102 Ca 0.98 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 1d2b s VAL 102 Cb -0.22 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1d2b s VAL 102 CO 0.29 -0.23 0.74 0.00 0.00 0.00 0.00 175.10 175.90 1d2b s ALA 103 N 2.48 -1.02 -0.04 5.51 0.00 -0.69 -4.96 121.76 123.03 1d2b s ALA 103 Ca 0.11 -0.49 -0.34 0.00 0.00 0.00 0.00 51.96 51.24 1d2b s ALA 103 Cb -0.15 0.79 -0.12 0.00 0.00 0.00 0.00 23.12 23.64 1d2b s ALA 103 CO -0.21 -1.02 1.84 -2.30 0.00 0.00 0.00 175.76 174.07 1d2b n PRO 104 N -0.49 2.21 -0.12 0.00 -0.02 -1.26 0.12 135.00 135.44 1d2b n PRO 104 Ca -0.06 0.81 -0.06 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 31.43 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 8.78 -0.64 -0.24 6.00 2.91 -1.77 0.52 115.95 131.50 1d2b h TRP 105 Ca -0.48 0.05 0.07 0.00 1.13 0.00 0.00 58.89 59.66 1d2b h TRP 105 Cb 1.27 0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 30.25 1d2b h TRP 105 CO 0.85 -0.32 0.66 -0.91 -1.03 0.00 0.00 178.44 177.68 1d2b h ASN 106 N -0.17 0.00 0.44 2.65 4.21 -1.89 0.83 115.58 121.65 1d2b h ASN 106 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1d2b h ASN 106 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1d2b h ASN 106 CO -0.52 0.00 -0.46 -1.20 -1.29 0.00 0.00 177.43 173.96 1d2b n SER 107 N -3.02 0.61 -4.79 5.81 7.64 0.18 -4.93 113.62 115.13 1d2b n SER 107 Ca 0.04 -0.39 -0.35 0.00 1.01 0.00 0.00 58.87 59.19 1d2b n SER 107 Cb 0.76 0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 64.19 1d2b n SER 107 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1d2b s LEU 108 N -2.90 3.81 0.01 -3.43 1.02 0.29 -4.97 118.68 112.51 1d2b s LEU 108 Ca 0.13 2.04 -0.30 0.00 0.02 0.00 0.00 54.13 56.02 1d2b s LEU 108 Cb 0.18 -4.56 -0.07 0.00 0.02 0.00 0.00 46.19 41.76 1d2b s LEU 108 CO 0.67 -0.96 1.65 -0.44 0.02 0.00 0.00 176.35 177.29 1d2b s SER 109 N -1.88 6.64 0.40 2.29 0.01 -1.26 -4.63 113.70 115.27 1d2b s SER 109 Ca 0.69 2.37 0.34 0.00 1.31 0.00 0.00 55.95 60.66 1d2b s SER 109 Cb -0.20 -2.55 1.29 0.00 0.21 0.00 0.00 66.02 64.77 1d2b s SER 109 CO 0.23 -0.90 1.23 0.00 0.41 0.00 0.00 173.24 174.22 1d2b n LEU 110 N 6.30 0.07 0.07 2.44 -0.00 -1.26 0.45 117.00 125.07 1d2b n LEU 110 Ca 0.16 0.92 -0.20 0.00 -0.00 0.00 0.00 56.01 56.90 1d2b n LEU 110 Cb 0.42 -0.46 -0.15 0.00 -0.00 0.00 0.00 43.42 43.23 1d2b n LEU 110 CO 0.63 -0.96 -0.43 0.00 -0.00 0.00 0.00 177.39 176.62 1d2b h ALA 111 N 0.99 0.20 -0.02 1.47 0.00 -1.98 -2.58 119.26 117.35 1d2b h ALA 111 Ca 0.72 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1d2b h ALA 111 Cb 2.67 0.36 0.00 0.00 0.00 0.00 0.00 17.79 20.82 1d2b h ALA 111 CO -0.17 1.07 0.00 0.94 0.00 0.00 0.00 179.25 181.09 1d2b n GLN 112 N -3.53 1.40 0.03 0.00 -0.06 1.56 0.26 117.38 117.04 1d2b n GLN 112 Ca -0.20 -0.58 -0.21 0.00 -2.00 0.00 0.00 57.00 54.01 1d2b n GLN 112 Cb 1.06 -1.48 -0.14 0.00 -4.06 0.00 0.00 30.24 25.62 1d2b n GLN 112 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1d2b h ARG 113 N 1.39 0.29 0.11 3.69 9.65 0.90 -2.55 114.38 127.85 1d2b h ARG 113 Ca 0.00 -0.49 -0.01 0.00 -1.10 0.00 0.00 59.98 58.38 1d2b h ARG 113 Cb 0.30 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1d2b h ARG 113 CO 0.00 1.19 -0.05 0.07 2.80 0.00 0.00 179.97 183.98 1d2b h ARG 114 N 0.08 -0.14 -0.50 0.20 -0.00 -0.96 -3.28 114.38 109.78 1d2b h ARG 114 Ca -0.37 0.01 0.09 0.00 -0.00 0.00 0.00 59.98 59.71 1d2b h ARG 114 Cb 2.05 0.03 -0.10 0.00 -0.00 0.00 0.00 29.97 31.95 1d2b h ARG 114 CO 0.12 0.15 -0.32 0.78 -0.00 0.00 0.00 179.97 180.70 1d2b h GLY 115 N -1.00 -0.15 1.40 0.08 0.00 0.33 1.16 103.07 104.88 1d2b h GLY 115 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1d2b h GLY 115 CO 0.02 -0.21 0.19 0.69 0.00 0.00 0.00 176.54 177.24 1d2b n PHE 116 N -5.42 0.31 0.02 5.60 3.01 -0.96 0.52 117.46 120.53 1d2b n PHE 116 Ca 0.03 0.16 0.11 0.00 1.01 0.00 0.00 57.45 58.76 1d2b n PHE 116 Cb 0.34 -0.60 -0.12 0.00 -0.01 0.00 0.00 39.48 39.09 1d2b n PHE 116 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1d2b n THR 117 N -1.80 0.19 0.00 4.37 5.66 0.38 -4.72 114.28 118.37 1d2b n THR 117 Ca -0.01 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1d2b n THR 117 Cb 0.21 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 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 -2.39 0.07 -0.06 1.09 -0.00 0.61 -4.98 118.16 112.50 1d2b n LYS 118 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.15 1d2b n LYS 118 Cb 0.57 -0.53 -0.06 0.00 -0.00 0.00 0.00 35.03 35.01 1d2b n LYS 118 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1d2b h THR 119 N 0.00 1.32 -0.30 0.58 1.35 1.24 -3.35 112.91 113.75 1d2b h THR 119 Ca 0.00 -1.22 -0.06 0.00 -0.55 0.00 0.00 66.41 64.57 1d2b h THR 119 Cb 0.05 1.74 -0.04 0.00 -1.73 0.00 0.00 68.15 68.17 1d2b h THR 119 CO 0.00 0.37 0.08 -1.22 -0.25 0.00 0.00 175.52 174.50 1d2b n TYR 120 N -4.56 1.01 -0.05 4.73 4.02 -1.15 -0.54 117.16 120.62 1d2b n TYR 120 Ca -0.05 -0.53 -0.14 0.00 -0.01 0.00 0.00 57.90 57.17 1d2b n TYR 120 Cb 0.34 -0.35 -0.14 0.00 -0.02 0.00 0.00 39.34 39.17 1d2b n TYR 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1d2b n THR 121 N 0.13 1.59 0.00 -0.72 -2.24 -1.26 -3.74 114.28 108.05 1d2b n THR 121 Ca 0.16 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1d2b n THR 121 Cb 0.75 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1d2b n VAL 122 N -3.15 0.00 -1.74 2.28 0.31 -1.25 -4.79 118.33 110.00 1d2b n VAL 122 Ca -0.30 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.09 1d2b n VAL 122 Cb 1.06 -0.03 0.13 0.00 -0.91 0.00 0.00 33.84 34.09 1d2b n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d2b n GLY 123 N 2.22 3.64 0.40 2.92 0.00 0.30 -4.83 105.19 109.84 1d2b n GLY 123 Ca 0.00 -1.03 0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.87 0.00 0.00 0.00 0.28 -1.26 -3.37 120.64 111.42 1d2b n GLU 125 Ca 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1d2b n GLU 125 Cb 1.18 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 33.09 1d2b n GLU 125 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12