#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 0.00 -2.91 0.00 -2.24 -1.26 -4.58 114.28 103.29 1d2b n THR 2 Ca 0.00 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.55 1d2b n THR 2 Cb 0.00 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.33 1d2b n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d2b s VAL 4 N 0.71 4.65 -0.43 0.00 0.11 -1.26 -4.88 120.40 119.30 1d2b s VAL 4 Ca 0.03 -0.46 -0.42 0.00 -2.93 0.00 0.00 61.98 58.20 1d2b s VAL 4 Cb -0.00 -3.13 -0.17 0.00 -1.53 0.00 0.00 36.38 31.55 1d2b s VAL 4 CO 0.02 0.33 1.98 -2.65 -3.33 0.00 0.00 175.10 171.45 1d2b n PRO 5 N 1.14 0.46 -3.04 1.54 -0.02 -1.26 -4.90 135.00 128.91 1d2b n PRO 5 Ca -0.13 0.14 -0.39 0.00 -2.02 0.00 0.00 63.50 61.10 1d2b n PRO 5 Cb 0.53 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 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 5.05 4.46 -0.10 0.52 0.05 -1.26 -4.96 135.00 138.77 1d2b s PRO 6 Ca 1.11 1.02 -0.18 0.00 0.05 0.00 0.00 61.00 62.99 1d2b s PRO 6 Cb -1.28 -3.31 -0.08 0.00 0.05 0.00 0.00 34.50 29.88 1d2b s PRO 6 CO 0.65 0.42 0.56 0.72 0.05 0.00 0.00 177.00 179.40 1d2b n HIS 7 N 2.29 0.49 0.29 0.56 8.25 -1.26 -4.37 115.22 121.47 1d2b n HIS 7 Ca -0.05 0.47 0.16 0.00 -0.26 0.00 0.00 57.72 58.04 1d2b n HIS 7 Cb 0.50 -0.91 0.89 0.00 1.12 0.00 0.00 29.99 31.59 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 1.66 0.00 0.57 -0.41 0.13 -1.93 0.94 132.00 132.96 1d2b h PRO 8 Ca -0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1d2b h PRO 8 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1d2b h PRO 8 CO 0.34 0.05 -0.42 0.37 -0.23 0.00 0.00 178.00 178.11 1d2b h GLN 9 N 0.00 -0.91 0.24 0.86 5.75 -1.82 2.07 115.11 121.31 1d2b h GLN 9 Ca -0.00 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1d2b h GLN 9 Cb 0.17 0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1d2b h GLN 9 CO 0.01 -0.61 -0.22 1.15 -2.65 0.00 0.00 178.83 176.51 1d2b h THR 10 N -0.94 0.52 -0.62 2.39 2.02 -1.41 0.82 112.91 115.69 1d2b h THR 10 Ca -0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1d2b h THR 10 Cb 0.78 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1d2b h THR 10 CO 0.03 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.30 1d2b h ALA 11 N 0.20 0.81 0.72 6.16 0.00 0.11 1.12 119.26 128.37 1d2b h ALA 11 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1d2b h ALA 11 Cb 0.45 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1d2b h ALA 11 CO -0.04 0.12 -0.35 0.35 0.00 0.00 0.00 179.25 179.33 1d2b h PHE 12 N 0.74 -0.90 -0.17 0.00 3.04 0.35 -2.23 116.94 117.78 1d2b h PHE 12 Ca 0.25 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 1d2b h PHE 12 Cb 0.03 0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.84 1d2b h PHE 12 CO -0.05 -0.56 -0.12 0.00 -2.02 0.00 0.00 178.31 175.56 1d2b h ASN 14 N 0.03 1.09 -3.93 0.00 -1.24 0.12 -3.42 115.58 108.23 1d2b h ASN 14 Ca 0.03 -0.09 -0.50 0.00 0.71 0.00 0.00 56.30 56.45 1d2b h ASN 14 Cb 0.63 -0.28 0.04 0.00 0.73 0.00 0.00 38.32 39.44 1d2b h ASN 14 CO 0.03 0.87 0.47 -0.55 -1.29 0.00 0.00 177.43 176.96 1d2b s SER 15 N -6.19 6.69 -0.01 1.15 0.15 -0.84 -4.94 113.70 109.72 1d2b s SER 15 Ca -0.13 2.23 0.23 0.00 0.70 0.00 0.00 55.95 58.98 1d2b s SER 15 Cb 0.17 -2.61 0.66 0.00 -1.71 0.00 0.00 66.02 62.53 1d2b s SER 15 CO 0.82 -0.55 1.55 0.47 1.20 0.00 0.00 173.24 176.73 1d2b n ASP 16 N 0.16 4.00 -3.52 5.45 9.92 -1.25 -4.86 116.55 126.44 1d2b n ASP 16 Ca 0.04 -2.02 -0.00 0.00 -0.53 0.00 0.00 54.79 52.27 1d2b n ASP 16 Cb 0.47 -0.50 -0.05 0.00 -0.64 0.00 0.00 41.12 40.41 1d2b n ASP 16 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1d2b s LEU 17 N -1.04 -0.64 -0.03 0.64 1.02 0.29 -4.40 118.68 114.52 1d2b s LEU 17 Ca 0.50 0.93 0.00 0.00 0.02 0.00 0.00 54.13 55.57 1d2b s LEU 17 Cb 0.26 1.79 0.03 0.00 0.02 0.00 0.00 46.19 48.29 1d2b s LEU 17 CO 0.33 -0.13 0.01 -0.69 0.02 0.00 0.00 176.35 175.89 1d2b s VAL 18 N 2.12 0.12 0.02 -1.59 1.01 0.44 0.25 120.40 122.78 1d2b s VAL 18 Ca -0.05 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1d2b s VAL 18 Cb -0.06 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.13 1d2b s VAL 18 CO -0.17 0.14 0.52 0.27 0.00 0.00 0.00 175.10 175.86 1d2b s ILE 19 N 1.18 0.03 -0.07 2.22 -0.00 0.10 0.11 121.20 124.76 1d2b s ILE 19 Ca -0.08 -0.24 -0.12 0.00 -0.00 0.00 0.00 60.65 60.22 1d2b s ILE 19 Cb -0.13 -0.94 -0.05 0.00 -0.00 0.00 0.00 42.46 41.34 1d2b s ILE 19 CO -0.02 -0.13 0.30 0.00 -0.00 0.00 0.00 174.94 175.09 1d2b s ARG 20 N -2.08 3.85 0.31 0.37 1.70 0.25 -0.00 118.95 123.35 1d2b s ARG 20 Ca -0.07 0.18 -0.18 0.00 -0.47 0.00 0.00 55.73 55.18 1d2b s ARG 20 Cb -0.01 -3.26 0.03 0.00 -0.57 0.00 0.00 34.95 31.14 1d2b s ARG 20 CO 0.01 0.61 0.71 0.00 -1.08 0.00 0.00 175.30 175.55 1d2b s ALA 21 N -0.70 -0.93 0.06 7.88 0.00 -0.70 -1.14 121.76 126.22 1d2b s ALA 21 Ca 0.19 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.69 1d2b s ALA 21 Cb -0.14 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1d2b s ALA 21 CO 0.08 -1.00 -0.13 0.15 0.00 0.00 0.00 175.76 174.86 1d2b s LYS 22 N -3.45 2.15 -0.28 0.00 1.02 0.58 0.13 119.74 119.89 1d2b s LYS 22 Ca 0.14 -0.97 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 1d2b s LYS 22 Cb -0.05 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1d2b s LYS 22 CO 0.09 0.54 0.44 -0.06 -0.92 0.00 0.00 175.35 175.44 1d2b s PHE 23 N -1.05 3.24 -0.29 3.18 0.40 -1.26 0.49 117.98 122.70 1d2b s PHE 23 Ca 0.17 0.44 0.19 0.00 -0.60 0.00 0.00 56.93 57.13 1d2b s PHE 23 Cb -0.11 -2.68 0.49 0.00 0.51 0.00 0.00 43.02 41.23 1d2b s PHE 23 CO 0.09 -0.30 1.09 1.33 0.70 0.00 0.00 175.22 178.12 1d2b n VAL 24 N 5.18 1.44 -3.61 -0.44 0.24 -0.92 -4.17 118.33 116.05 1d2b n VAL 24 Ca -0.06 -3.23 -0.05 0.00 -2.04 0.00 0.00 64.34 58.96 1d2b n VAL 24 Cb 0.50 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.56 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 -3.62 -0.36 0.20 7.63 0.00 -1.03 -4.70 107.32 105.43 1d2b s GLY 25 Ca 0.31 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.91 1d2b s GLY 25 CO -0.02 0.25 0.32 -1.08 0.00 0.00 0.00 173.10 172.57 1d2b s THR 26 N -2.90 5.26 -0.17 0.90 -1.32 -1.26 -4.06 115.64 112.09 1d2b s THR 26 Ca 0.09 -0.86 -0.29 0.00 -1.21 0.00 0.00 61.69 59.42 1d2b s THR 26 Cb -0.00 -3.79 -0.00 0.00 -1.51 0.00 0.00 72.50 67.20 1d2b s THR 26 CO -0.04 -0.22 1.09 -2.16 -2.21 0.00 0.00 174.62 171.08 1d2b s PRO 27 N -3.62 4.31 -0.36 7.08 0.04 -1.23 -4.19 135.00 137.03 1d2b s PRO 27 Ca 0.34 1.46 -0.22 0.00 0.04 0.00 0.00 61.00 62.62 1d2b s PRO 27 Cb -0.10 -3.63 0.01 0.00 0.04 0.00 0.00 34.50 30.82 1d2b s PRO 27 CO 0.29 -0.54 0.71 -1.83 0.04 0.00 0.00 177.00 175.67 1d2b s GLU 28 N 2.83 3.72 -0.59 4.56 -1.05 0.11 -4.84 118.70 123.44 1d2b s GLU 28 Ca 0.48 0.19 -0.09 0.00 -0.15 0.00 0.00 54.97 55.41 1d2b s GLU 28 Cb -0.18 -3.81 0.15 0.00 -0.44 0.00 0.00 34.13 29.85 1d2b s GLU 28 CO 0.12 -0.79 0.46 0.08 0.95 0.00 0.00 175.26 176.08 1d2b s VAL 29 N 2.91 4.39 0.65 1.83 1.01 -1.26 -2.39 120.40 127.54 1d2b s VAL 29 Ca 0.28 -2.24 -0.16 0.00 0.00 0.00 0.00 61.98 59.85 1d2b s VAL 29 Cb -0.14 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1d2b s VAL 29 CO 0.16 -0.86 1.15 0.21 0.00 0.00 0.00 175.10 175.76 1d2b s ASN 30 N 2.05 4.96 0.17 3.32 2.47 -1.26 -4.89 114.94 121.77 1d2b s ASN 30 Ca 0.11 2.17 0.26 0.00 0.42 0.00 0.00 52.86 55.83 1d2b s ASN 30 Cb -0.21 -2.57 0.80 0.00 -1.45 0.00 0.00 41.25 37.81 1d2b s ASN 30 CO -0.03 -1.74 1.74 0.00 -3.72 0.00 0.00 177.10 173.35 1d2b n GLN 31 N -2.23 0.23 -2.87 0.43 1.13 -1.26 -4.03 117.38 108.79 1d2b n GLN 31 Ca 0.12 0.17 -0.14 0.00 -1.94 0.00 0.00 57.00 55.22 1d2b n GLN 31 Cb 0.51 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 29.11 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 -2.15 0.63 0.02 5.09 -1.04 -1.26 -4.81 114.28 110.76 1d2b n THR 32 Ca 0.05 -3.79 0.00 0.00 -2.04 0.00 0.00 64.05 58.27 1d2b n THR 32 Cb 0.42 0.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 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 0.06 0.30 -0.10 12.58 5.66 -1.26 -4.99 114.28 126.52 1d2b n THR 33 Ca 0.17 0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 1d2b n THR 33 Cb 0.74 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 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 -3.08 0.00 -4.03 1.09 4.77 -1.26 -4.91 117.00 109.59 1d2b n LEU 34 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1d2b n LEU 34 Cb 0.27 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1d2b n LEU 34 CO 0.00 0.00 -0.15 -0.72 -1.33 0.00 0.00 177.39 175.19 1d2b s TYR 35 N -2.58 0.55 0.30 -1.77 1.13 -1.26 0.86 117.35 114.58 1d2b s TYR 35 Ca 0.00 -0.93 0.03 0.00 -1.41 0.00 0.00 57.07 54.76 1d2b s TYR 35 Cb 0.00 -0.23 -0.01 0.00 -1.10 0.00 0.00 41.96 40.62 1d2b s TYR 35 CO 0.00 -0.61 0.11 1.04 -2.51 0.00 0.00 175.55 173.58 1d2b n GLN 36 N -0.14 0.68 -3.86 -3.49 6.02 0.59 -4.03 117.38 113.15 1d2b n GLN 36 Ca -0.08 -2.56 -0.12 0.00 -0.01 0.00 0.00 57.00 54.24 1d2b n GLN 36 Cb 0.63 1.39 -0.11 0.00 1.02 0.00 0.00 30.24 33.17 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 -3.15 0.38 0.09 -1.09 3.00 -1.01 -2.27 118.95 114.91 1d2b s ARG 37 Ca 0.15 -0.20 0.08 0.00 0.00 0.00 0.00 55.73 55.76 1d2b s ARG 37 Cb 0.01 0.16 -0.03 0.00 0.00 0.00 0.00 34.95 35.09 1d2b s ARG 37 CO 0.11 -0.08 -0.21 0.71 0.00 0.00 0.00 175.30 175.82 1d2b s TYR 38 N -0.91 1.80 -0.05 -0.53 2.02 -0.74 0.10 117.35 119.05 1d2b s TYR 38 Ca -0.10 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1d2b s TYR 38 Cb -0.06 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1d2b s TYR 38 CO 0.01 0.19 0.10 -1.21 -1.57 0.00 0.00 175.55 173.08 1d2b s GLU 39 N -1.81 3.22 -0.13 -0.62 2.02 -1.26 -1.13 118.70 118.99 1d2b s GLU 39 Ca 0.07 -0.35 -0.12 0.00 0.02 0.00 0.00 54.97 54.59 1d2b s GLU 39 Cb -0.10 -2.98 0.04 0.00 0.10 0.00 0.00 34.13 31.19 1d2b s GLU 39 CO 0.04 0.70 0.35 0.96 0.02 0.00 0.00 175.26 177.33 1d2b s ILE 40 N -1.12 -0.00 -1.14 -1.63 -0.00 0.81 -2.17 121.20 115.94 1d2b s ILE 40 Ca 0.20 0.01 -0.22 0.00 -0.00 0.00 0.00 60.65 60.64 1d2b s ILE 40 Cb -0.12 -0.50 -0.03 0.00 -0.00 0.00 0.00 42.46 41.81 1d2b s ILE 40 CO 0.10 0.01 1.85 -0.54 -0.00 0.00 0.00 174.94 176.35 1d2b s LYS 41 N 0.32 2.94 -0.10 0.37 -0.14 1.82 -4.71 119.74 120.24 1d2b s LYS 41 Ca -0.01 -1.17 -0.29 0.00 -1.36 0.00 0.00 55.97 53.14 1d2b s LYS 41 Cb -0.03 -5.28 -0.07 0.00 -1.68 0.00 0.00 37.83 30.77 1d2b s LYS 41 CO -0.01 -3.31 2.11 1.41 -0.76 0.00 0.00 175.35 174.79 1d2b s MET 42 N 5.94 3.59 -0.05 1.68 -2.45 -1.26 -0.30 119.30 126.45 1d2b s MET 42 Ca 0.63 2.30 -0.03 0.00 -1.25 0.00 0.00 55.69 57.35 1d2b s MET 42 Cb -0.01 -4.28 -0.02 0.00 1.25 0.00 0.00 34.83 31.78 1d2b s MET 42 CO 0.07 -1.58 0.17 1.79 1.05 0.00 0.00 175.02 176.52 1d2b h THR 43 N 6.45 0.00 -2.85 10.11 1.35 -1.46 -3.47 112.91 123.03 1d2b h THR 43 Ca -0.45 -0.59 -0.11 0.00 -0.55 0.00 0.00 66.41 64.71 1d2b h THR 43 Cb 1.24 0.00 -0.20 0.00 -1.73 0.00 0.00 68.15 67.46 1d2b h THR 43 CO 0.95 0.00 -0.19 -1.59 -0.25 0.00 0.00 175.52 174.44 1d2b s LYS 44 N -1.81 0.74 -0.12 4.72 -2.85 -0.87 -5.03 119.74 114.52 1d2b s LYS 44 Ca -0.02 -0.12 -0.10 0.00 -1.00 0.00 0.00 55.97 54.74 1d2b s LYS 44 Cb 0.00 0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1d2b s LYS 44 CO 0.05 -0.21 0.21 0.00 0.10 0.00 0.00 175.35 175.50 1d2b s MET 45 N -1.32 3.76 -0.22 1.78 0.23 -1.26 -0.58 119.30 121.69 1d2b s MET 45 Ca -0.13 -0.01 -0.00 0.00 -1.03 0.00 0.00 55.69 54.52 1d2b s MET 45 Cb -0.04 -3.26 -0.13 0.00 -1.53 0.00 0.00 34.83 29.86 1d2b s MET 45 CO 0.05 0.61 -0.20 0.66 -2.03 0.00 0.00 175.02 174.11 1d2b n TYR 46 N 2.41 0.00 -4.03 3.16 4.02 0.12 -4.94 117.16 117.91 1d2b n TYR 46 Ca -0.17 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.49 1d2b n TYR 46 Cb 0.54 -0.82 -0.17 0.00 -0.02 0.00 0.00 39.34 38.86 1d2b n TYR 46 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1d2b s LYS 47 N -2.43 1.07 0.00 -0.72 2.20 0.30 -4.82 119.74 115.34 1d2b s LYS 47 Ca -0.29 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1d2b s LYS 47 Cb 0.08 -1.16 0.00 0.00 -1.51 0.00 0.00 37.83 35.24 1d2b s LYS 47 CO 0.48 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 1d2b n GLY 48 N 4.59 -0.05 0.32 5.54 0.00 -1.26 0.17 105.19 114.49 1d2b n GLY 48 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.37 -0.15 1.61 0.04 -1.92 2.58 116.94 118.73 1d2b h PHE 49 Ca 0.00 0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.89 1d2b h PHE 49 Cb 0.00 0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1d2b h PHE 49 CO 0.00 -0.37 0.19 -0.56 -0.60 0.00 0.00 178.31 176.97 1d2b h GLN 50 N 0.01 0.00 0.00 1.51 3.07 -1.96 0.78 115.11 118.52 1d2b h GLN 50 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.18 1d2b h GLN 50 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.27 1d2b h GLN 50 CO -0.87 0.00 -0.79 0.00 0.09 0.00 0.00 178.83 177.26 1d2b n ALA 51 N -2.27 4.12 -0.97 0.06 0.00 0.82 -4.64 120.51 117.61 1d2b n ALA 51 Ca 0.01 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 1d2b n ALA 51 Cb 0.30 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 1d2b n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1d2b n LEU 52 N -1.54 3.89 0.09 0.00 4.32 0.27 -4.68 117.00 119.36 1d2b n LEU 52 Ca 0.04 -2.72 -0.14 0.00 -0.02 0.00 0.00 56.01 53.18 1d2b n LEU 52 Cb 0.34 -1.04 -0.07 0.00 -1.62 0.00 0.00 43.42 41.03 1d2b n LEU 52 CO 0.39 -0.31 0.60 1.23 -1.22 0.00 0.00 177.39 178.08 1d2b h GLY 53 N 12.82 -0.77 0.00 -0.72 0.00 -1.82 -3.39 103.07 109.19 1d2b h GLY 53 Ca 0.41 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.22 1d2b h GLY 53 CO 1.83 -0.26 0.00 1.22 0.00 0.00 0.00 176.54 179.33 1d2b n ASP 54 N -5.45 0.00 0.00 0.19 9.92 -1.26 -5.04 116.55 114.91 1d2b n ASP 54 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1d2b n ASP 54 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d2b n ALA 55 N -2.20 1.02 -3.87 2.24 0.00 -1.26 -5.02 120.51 111.43 1d2b n ALA 55 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1d2b n ALA 55 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1d2b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b s ALA 56 N -1.03 3.70 -0.25 0.00 0.00 -1.26 -4.91 121.76 118.01 1d2b s ALA 56 Ca 0.00 -3.62 0.13 0.00 0.00 0.00 0.00 51.96 48.47 1d2b s ALA 56 Cb 0.00 -2.30 0.77 0.00 0.00 0.00 0.00 23.12 21.59 1d2b s ALA 56 CO 0.00 -2.08 1.73 -0.40 0.00 0.00 0.00 175.76 175.01 1d2b n ASP 57 N 2.50 5.29 -3.14 0.00 5.75 -1.26 -4.70 116.55 120.99 1d2b n ASP 57 Ca 0.14 -3.03 -0.16 0.00 -0.01 0.00 0.00 54.79 51.73 1d2b n ASP 57 Cb 0.35 -0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 39.70 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1d2b s ILE 58 N -2.85 -0.29 -0.16 2.12 1.01 -1.26 -4.80 121.20 114.98 1d2b s ILE 58 Ca 0.53 -1.76 0.01 0.00 0.00 0.00 0.00 60.65 59.43 1d2b s ILE 58 Cb 0.42 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 42.23 1d2b s ILE 58 CO 0.14 -0.66 0.67 -2.11 0.00 0.00 0.00 174.94 172.98 1d2b n ARG 59 N 3.07 0.15 -3.78 2.79 1.85 -1.26 -4.71 116.66 114.77 1d2b n ARG 59 Ca 0.23 -0.83 -0.13 0.00 -1.00 0.00 0.00 57.85 56.12 1d2b n ARG 59 Cb 0.51 -1.03 -0.09 0.00 -1.05 0.00 0.00 32.46 30.80 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1d2b s PHE 60 N -0.34 -0.17 -0.19 2.89 0.40 -1.26 -0.14 117.98 119.18 1d2b s PHE 60 Ca 0.02 0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1d2b s PHE 60 Cb 0.01 0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.61 1d2b s PHE 60 CO 0.02 -0.35 -0.08 0.14 0.70 0.00 0.00 175.22 175.65 1d2b s VAL 61 N -1.13 3.19 -0.38 -0.44 -7.23 -0.28 -4.08 120.40 110.04 1d2b s VAL 61 Ca -0.12 -0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 59.39 1d2b s VAL 61 Cb -0.05 -2.41 0.05 0.00 0.56 0.00 0.00 36.38 34.53 1d2b s VAL 61 CO 0.03 0.47 0.19 -0.31 -0.31 0.00 0.00 175.10 175.17 1d2b s TYR 62 N 1.07 3.28 0.24 2.82 1.51 0.15 -1.79 117.35 124.63 1d2b s TYR 62 Ca 0.00 -1.29 0.10 0.00 -1.01 0.00 0.00 57.07 54.87 1d2b s TYR 62 Cb -0.15 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 1d2b s TYR 62 CO -0.01 -0.74 -0.08 -0.08 -1.11 0.00 0.00 175.55 173.53 1d2b s THR 63 N 1.46 3.12 0.36 -0.71 -1.32 -0.96 -3.09 115.64 114.50 1d2b s THR 63 Ca 0.01 -1.94 -0.27 0.00 -1.21 0.00 0.00 61.69 58.28 1d2b s THR 63 Cb -0.20 -2.62 -0.09 0.00 -1.51 0.00 0.00 72.50 68.07 1d2b s THR 63 CO 0.04 -0.29 1.20 -2.84 -2.21 0.00 0.00 174.62 170.52 1d2b s PRO 64 N -3.33 4.26 -0.52 7.08 0.02 -1.26 0.22 135.00 141.47 1d2b s PRO 64 Ca 0.29 1.95 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 1d2b s PRO 64 Cb -0.07 -2.90 0.36 0.00 0.02 0.00 0.00 34.50 31.92 1d2b s PRO 64 CO 0.17 -0.17 2.02 0.00 -0.33 0.00 0.00 177.00 178.68 1d2b n ALA 65 N 0.52 5.82 -1.99 -1.55 0.00 4.90 -4.16 120.51 124.04 1d2b n ALA 65 Ca 0.02 -2.73 -0.20 0.00 0.00 0.00 0.00 53.44 50.53 1d2b n ALA 65 Cb 0.45 -1.60 0.04 0.00 0.00 0.00 0.00 19.45 18.33 1d2b n ALA 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1d2b s MET 66 N -3.01 2.50 -0.12 0.00 0.00 -1.22 -4.71 119.30 112.74 1d2b s MET 66 Ca 0.51 -1.01 -0.09 0.00 0.00 0.00 0.00 55.69 55.10 1d2b s MET 66 Cb 0.40 -2.55 -0.08 0.00 0.00 0.00 0.00 34.83 32.60 1d2b s MET 66 CO -0.00 -0.70 0.20 1.49 0.00 0.00 0.00 175.02 176.01 1d2b h GLU 67 N 0.16 0.00 -0.15 4.11 4.57 -1.97 -3.32 114.58 117.98 1d2b h GLU 67 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1d2b h GLU 67 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1d2b h GLU 67 CO 0.48 0.30 0.00 -1.13 -1.18 0.00 0.00 179.01 177.48 1d2b n SER 68 N -4.71 0.15 -4.95 1.04 3.41 -1.26 -4.84 113.62 102.46 1d2b n SER 68 Ca -0.04 -1.94 -0.24 0.00 -0.26 0.00 0.00 58.87 56.39 1d2b n SER 68 Cb 0.17 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1d2b s VAL 69 N -1.85 3.16 -0.72 -3.33 0.11 -1.25 -4.02 120.40 112.51 1d2b s VAL 69 Ca 0.00 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1d2b s VAL 69 Cb 0.00 -3.23 0.34 0.00 -1.53 0.00 0.00 36.38 31.96 1d2b s VAL 69 CO 0.00 -0.20 1.28 0.00 -3.33 0.00 0.00 175.10 172.85 1d2b n GLY 71 N -0.23 -0.52 2.80 0.00 0.00 -1.26 -0.70 105.19 105.29 1d2b n GLY 71 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.06 -0.68 1.61 5.04 -1.26 -3.25 117.35 117.75 1d2b s TYR 72 Ca 0.00 -0.22 -0.26 0.00 -2.44 0.00 0.00 57.07 54.15 1d2b s TYR 72 Cb 0.00 0.21 -0.03 0.00 0.35 0.00 0.00 41.96 42.48 1d2b s TYR 72 CO 0.00 -0.80 1.93 -0.06 -1.34 0.00 0.00 175.55 175.28 1d2b s PHE 73 N 1.19 1.65 -0.32 4.97 0.08 -1.26 -4.92 117.98 119.37 1d2b s PHE 73 Ca 0.24 0.83 -0.13 0.00 0.12 0.00 0.00 56.93 57.99 1d2b s PHE 73 Cb 0.04 -4.03 -0.03 0.00 -0.57 0.00 0.00 43.02 38.43 1d2b s PHE 73 CO -0.08 -2.17 0.24 -1.58 -0.10 0.00 0.00 175.22 171.53 1d2b s HIS 74 N 9.65 3.22 -0.72 0.36 5.65 -1.26 -5.01 115.29 127.19 1d2b s HIS 74 Ca 0.70 -0.05 0.04 0.00 0.25 0.00 0.00 55.06 56.01 1d2b s HIS 74 Cb -0.11 -2.47 0.24 0.00 -1.18 0.00 0.00 32.58 29.05 1d2b s HIS 74 CO 0.15 -0.29 0.77 0.54 -0.65 0.00 0.00 174.74 175.26 1d2b n ARG 75 N 5.13 2.58 -3.38 2.88 5.12 -1.26 -4.99 116.66 122.74 1d2b n ARG 75 Ca -0.12 -4.61 0.01 0.00 -1.93 0.00 0.00 57.85 51.20 1d2b n ARG 75 Cb 0.50 -2.30 -0.03 0.00 -1.16 0.00 0.00 32.46 29.47 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1d2b s SER 76 N -1.99 -1.20 0.00 0.55 0.01 -1.26 -5.01 113.70 104.79 1d2b s SER 76 Ca 0.35 1.15 0.24 0.00 1.31 0.00 0.00 55.95 59.00 1d2b s SER 76 Cb 0.08 2.17 0.20 0.00 0.21 0.00 0.00 66.02 68.68 1d2b s SER 76 CO -0.05 -0.24 1.23 0.00 0.41 0.00 0.00 173.24 174.59 1d2b n HIS 77 N 5.44 0.00 -2.34 2.43 1.44 -1.26 -4.86 115.22 116.06 1d2b n HIS 77 Ca -0.06 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.22 1d2b n HIS 77 Cb 0.50 -0.02 -0.02 0.00 0.12 0.00 0.00 29.99 30.56 1d2b n HIS 77 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1d2b s ASN 78 N -2.41 6.44 0.00 4.39 3.84 -1.26 -4.86 114.94 121.08 1d2b s ASN 78 Ca 0.21 1.04 0.28 0.00 0.21 0.00 0.00 52.86 54.61 1d2b s ASN 78 Cb 0.19 -2.54 1.45 0.00 -0.55 0.00 0.00 41.25 39.80 1d2b s ASN 78 CO 0.52 -1.30 1.98 -2.11 -2.79 0.00 0.00 177.10 173.39 1d2b n ARG 79 N 7.79 0.47 -0.11 0.43 1.85 -1.26 -2.66 116.66 123.17 1d2b n ARG 79 Ca 0.16 0.02 0.07 0.00 -1.00 0.00 0.00 57.85 57.10 1d2b n ARG 79 Cb 0.47 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.50 1d2b n ARG 79 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1d2b n SER 80 N -1.24 2.63 -4.57 2.89 7.64 -1.26 -4.77 113.62 114.93 1d2b n SER 80 Ca 0.14 -1.78 -0.41 0.00 1.01 0.00 0.00 58.87 57.84 1d2b n SER 80 Cb 0.20 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.07 3.73 1.04 1.43 -6.30 -1.09 -5.06 118.70 111.38 1d2b s GLU 81 Ca 0.22 -0.09 -0.13 0.00 -2.50 0.00 0.00 54.97 52.47 1d2b s GLU 81 Cb 0.13 -3.76 0.21 0.00 0.00 0.00 0.00 34.13 30.71 1d2b s GLU 81 CO 0.18 -0.54 1.08 -1.21 0.02 0.00 0.00 175.26 174.80 1d2b s GLU 82 N 2.29 0.10 0.32 4.30 2.02 -1.26 -4.15 118.70 122.32 1d2b s GLU 82 Ca 0.18 0.55 -0.14 0.00 0.02 0.00 0.00 54.97 55.57 1d2b s GLU 82 Cb -0.16 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.40 1d2b s GLU 82 CO 0.12 -2.96 0.66 -0.06 0.02 0.00 0.00 175.26 173.04 1d2b s PHE 83 N -2.88 0.23 -0.10 1.61 0.08 0.36 -4.32 117.98 112.96 1d2b s PHE 83 Ca 0.66 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 57.01 1d2b s PHE 83 Cb -0.20 0.54 0.01 0.00 -0.57 0.00 0.00 43.02 42.80 1d2b s PHE 83 CO 0.59 -1.31 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.06 1d2b s LEU 84 N -3.05 1.85 -0.22 -0.37 1.98 0.21 -1.73 118.68 117.35 1d2b s LEU 84 Ca 0.18 -0.46 -0.02 0.00 -2.89 0.00 0.00 54.13 50.95 1d2b s LEU 84 Cb -0.04 -1.16 0.06 0.00 0.66 0.00 0.00 46.19 45.72 1d2b s LEU 84 CO 0.11 0.06 0.02 -0.63 -1.89 0.00 0.00 176.35 174.02 1d2b s ILE 85 N 0.75 0.87 -0.27 6.68 1.01 1.00 -1.69 121.20 129.54 1d2b s ILE 85 Ca -0.11 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 1d2b s ILE 85 Cb -0.16 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1d2b s ILE 85 CO 0.02 -0.24 0.39 0.00 0.00 0.00 0.00 174.94 175.11 1d2b s ALA 86 N 1.69 3.56 -0.28 9.38 0.00 0.54 0.00 121.76 136.66 1d2b s ALA 86 Ca -0.01 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.88 1d2b s ALA 86 Cb -0.18 -2.74 0.14 0.00 0.00 0.00 0.00 23.12 20.35 1d2b s ALA 86 CO -0.09 -0.69 1.14 0.20 0.00 0.00 0.00 175.76 176.31 1d2b s GLY 87 N 1.64 -0.03 0.61 0.00 0.00 0.71 -4.38 107.32 105.86 1d2b s GLY 87 Ca 0.16 2.84 -0.06 0.00 0.00 0.00 0.00 44.72 47.65 1d2b s GLY 87 CO 0.10 1.78 0.92 1.25 0.00 0.00 0.00 173.10 177.14 1d2b s LYS 88 N 0.04 2.82 0.06 2.90 2.20 -1.22 0.11 119.74 126.63 1d2b s LYS 88 Ca 0.04 -0.04 -0.04 0.00 -0.36 0.00 0.00 55.97 55.57 1d2b s LYS 88 Cb -0.05 -2.26 -0.05 0.00 -1.51 0.00 0.00 37.83 33.97 1d2b s LYS 88 CO -0.08 -0.78 0.28 -0.51 -0.36 0.00 0.00 175.35 173.90 1d2b s LEU 89 N -5.03 4.34 -0.27 5.43 1.43 -1.26 -0.90 118.68 122.41 1d2b s LEU 89 Ca 0.55 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 54.15 1d2b s LEU 89 Cb -0.11 -2.91 0.06 0.00 0.03 0.00 0.00 46.19 43.27 1d2b s LEU 89 CO 0.45 0.18 -0.09 -1.58 0.23 0.00 0.00 176.35 175.54 1d2b s GLN 90 N -2.20 2.16 -0.16 1.70 2.00 0.50 -4.74 119.66 118.91 1d2b s GLN 90 Ca 0.33 -1.41 0.00 0.00 -2.00 0.00 0.00 55.36 52.28 1d2b s GLN 90 Cb -0.13 -2.93 0.00 0.00 0.80 0.00 0.00 33.01 30.75 1d2b s GLN 90 CO 0.22 -0.61 0.00 -0.25 -0.50 0.00 0.00 175.29 174.14 1d2b n ASP 91 N 4.42 -1.32 0.00 6.67 9.92 -1.26 -0.22 116.55 134.75 1d2b n ASP 91 Ca -0.12 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1d2b n ASP 91 Cb 0.42 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 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 -0.49 3.32 3.78 0.44 0.00 -1.26 -5.10 105.19 105.88 1d2b n GLY 92 Ca -0.02 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 4.18 0.65 0.99 2.01 0.69 -4.94 118.68 122.26 1d2b s LEU 93 Ca 0.00 2.05 -0.15 0.00 0.01 0.00 0.00 54.13 56.04 1d2b s LEU 93 Cb 0.00 -4.13 -0.01 0.00 0.01 0.00 0.00 46.19 42.07 1d2b s LEU 93 CO 0.00 -0.44 1.10 -0.22 1.01 0.00 0.00 176.35 177.79 1d2b s LEU 94 N -2.51 3.39 -0.00 1.79 2.96 -1.26 0.19 118.68 123.24 1d2b s LEU 94 Ca 0.56 1.94 0.01 0.00 -0.22 0.00 0.00 54.13 56.42 1d2b s LEU 94 Cb -0.23 -4.54 -0.00 0.00 0.50 0.00 0.00 46.19 41.92 1d2b s LEU 94 CO 0.29 -1.53 -0.03 -1.00 -1.32 0.00 0.00 176.35 172.76 1d2b s HIS 95 N -2.41 0.23 0.18 5.38 3.76 -0.08 0.32 115.29 122.67 1d2b s HIS 95 Ca 0.66 -0.04 -0.11 0.00 -0.15 0.00 0.00 55.06 55.41 1d2b s HIS 95 Cb -0.19 -0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.35 1d2b s HIS 95 CO 0.41 -0.00 0.37 0.96 -0.85 0.00 0.00 174.74 175.62 1d2b s ILE 96 N -0.05 0.05 0.10 0.60 -0.00 -1.18 -3.43 121.20 117.29 1d2b s ILE 96 Ca 0.01 -1.24 -0.17 0.00 -0.00 0.00 0.00 60.65 59.25 1d2b s ILE 96 Cb -0.01 -1.82 0.04 0.00 -0.00 0.00 0.00 42.46 40.67 1d2b s ILE 96 CO -0.00 -0.22 0.43 0.42 -0.00 0.00 0.00 174.94 175.57 1d2b s THR 97 N -3.95 0.06 -2.00 8.37 -4.23 -1.23 -4.49 115.64 108.17 1d2b s THR 97 Ca 0.16 -0.49 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1d2b s THR 97 Cb 0.02 -1.10 0.20 0.00 1.34 0.00 0.00 72.50 72.96 1d2b s THR 97 CO 0.00 -0.27 0.86 0.35 -0.54 0.00 0.00 174.62 175.02 1d2b n THR 98 N -0.03 0.00 -1.00 3.99 -2.24 0.13 -0.82 114.28 114.31 1d2b n THR 98 Ca -0.17 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1d2b n THR 98 Cb 0.63 -0.51 0.12 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.64 4.27 -0.49 0.00 0.15 -0.00 -4.59 113.70 110.40 1d2b s SER 100 Ca 0.28 -0.55 -0.27 0.00 0.70 0.00 0.00 55.95 56.11 1d2b s SER 100 Cb 0.25 -0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 1d2b s SER 100 CO 0.03 0.12 2.01 0.12 1.20 0.00 0.00 173.24 176.71 1d2b s PHE 101 N -1.62 1.51 -0.26 3.44 2.19 -1.26 -4.85 117.98 117.13 1d2b s PHE 101 Ca 0.24 0.94 -0.01 0.00 0.33 0.00 0.00 56.93 58.43 1d2b s PHE 101 Cb -0.09 -3.96 0.14 0.00 -1.31 0.00 0.00 43.02 37.80 1d2b s PHE 101 CO 0.15 -2.63 0.35 0.08 1.83 0.00 0.00 175.22 175.00 1d2b s VAL 102 N 9.34 -0.53 0.29 3.12 1.01 -1.26 -0.34 120.40 132.03 1d2b s VAL 102 Ca 0.80 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 1d2b s VAL 102 Cb -0.17 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1d2b s VAL 102 CO 0.26 -0.26 0.68 0.00 0.00 0.00 0.00 175.10 175.77 1d2b s ALA 103 N 2.48 -0.88 -0.05 5.51 0.00 -0.68 -4.97 121.76 123.16 1d2b s ALA 103 Ca 0.10 -0.54 -0.34 0.00 0.00 0.00 0.00 51.96 51.18 1d2b s ALA 103 Cb -0.14 0.87 -0.12 0.00 0.00 0.00 0.00 23.12 23.73 1d2b s ALA 103 CO -0.24 -0.99 1.83 -2.30 0.00 0.00 0.00 175.76 174.07 1d2b n PRO 104 N -0.46 2.17 -0.16 0.00 -0.02 -1.26 0.63 135.00 135.90 1d2b n PRO 104 Ca -0.04 0.79 -0.06 0.00 -2.02 0.00 0.00 63.50 62.17 1d2b n PRO 104 Cb 0.60 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 8.67 -0.86 0.00 6.00 -0.00 -1.75 0.61 115.95 128.62 1d2b h TRP 105 Ca -0.48 0.06 0.00 0.00 -0.00 0.00 0.00 58.89 58.47 1d2b h TRP 105 Cb 1.27 0.45 0.00 0.00 -0.00 0.00 0.00 29.16 30.88 1d2b h TRP 105 CO 0.84 -0.37 0.67 -0.91 -0.00 0.00 0.00 178.44 178.67 1d2b h ASN 106 N -0.19 0.00 -0.00 2.65 2.35 -1.89 1.63 115.58 120.13 1d2b h ASN 106 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1d2b h ASN 106 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1d2b h ASN 106 CO -0.61 0.00 -0.16 -0.24 -1.65 0.00 0.00 177.43 174.77 1d2b n SER 107 N -2.34 2.33 -4.91 5.81 2.88 0.21 -4.96 113.62 112.64 1d2b n SER 107 Ca -0.01 -1.69 -0.27 0.00 -1.33 0.00 0.00 58.87 55.57 1d2b n SER 107 Cb 0.68 0.15 0.01 0.00 -0.75 0.00 0.00 64.21 64.30 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 -2.18 3.53 0.47 2.46 1.02 0.56 -5.05 118.68 119.49 1d2b s LEU 108 Ca 0.26 0.86 -0.22 0.00 0.02 0.00 0.00 54.13 55.05 1d2b s LEU 108 Cb 0.20 -3.79 -0.07 0.00 0.02 0.00 0.00 46.19 42.55 1d2b s LEU 108 CO 0.40 -0.70 1.17 -0.44 0.02 0.00 0.00 176.35 176.80 1d2b s SER 109 N -4.16 6.07 0.46 2.29 0.01 -1.26 -4.79 113.70 112.31 1d2b s SER 109 Ca 0.49 2.32 0.16 0.00 1.31 0.00 0.00 55.95 60.23 1d2b s SER 109 Cb -0.10 -2.60 1.07 0.00 0.21 0.00 0.00 66.02 64.59 1d2b s SER 109 CO 0.45 -0.99 2.00 0.17 0.41 0.00 0.00 173.24 175.28 1d2b h LEU 110 N 1.92 0.00 0.14 2.44 -0.00 -1.96 3.53 115.31 121.38 1d2b h LEU 110 Ca -0.49 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.07 1d2b h LEU 110 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1d2b h LEU 110 CO 0.60 0.17 -1.57 0.00 -0.00 0.00 0.00 178.44 177.64 1d2b h ALA 111 N 1.83 0.23 -0.01 0.17 0.00 -1.98 -2.33 119.26 117.17 1d2b h ALA 111 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1d2b h ALA 111 Cb 0.32 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1d2b h ALA 111 CO 0.02 1.10 -0.07 0.94 0.00 0.00 0.00 179.25 181.24 1d2b n GLN 112 N -3.49 1.24 0.03 0.00 7.27 -0.60 0.12 117.38 121.95 1d2b n GLN 112 Ca -0.18 -0.61 -0.22 0.00 0.07 0.00 0.00 57.00 56.06 1d2b n GLN 112 Cb 1.05 -1.49 -0.14 0.00 2.41 0.00 0.00 30.24 32.07 1d2b n GLN 112 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1d2b h ARG 113 N 1.49 0.30 -0.04 3.69 3.08 0.66 -2.59 114.38 120.97 1d2b h ARG 113 Ca 0.00 -0.51 -0.06 0.00 0.07 0.00 0.00 59.98 59.48 1d2b h ARG 113 Cb 0.41 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1d2b h ARG 113 CO 0.00 1.24 -0.21 0.07 -1.07 0.00 0.00 179.97 180.01 1d2b h ARG 114 N -0.13 0.22 -0.94 0.04 -0.00 -1.06 -2.77 114.38 109.74 1d2b h ARG 114 Ca -0.33 -0.18 0.28 0.00 -0.00 0.00 0.00 59.98 59.75 1d2b h ARG 114 Cb 1.90 0.04 -0.15 0.00 -0.00 0.00 0.00 29.97 31.76 1d2b h ARG 114 CO 0.10 0.83 0.36 0.78 -0.00 0.00 0.00 179.97 182.03 1d2b h GLY 115 N -0.33 1.67 2.00 0.08 0.00 0.84 1.48 103.07 108.81 1d2b h GLY 115 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1d2b h GLY 115 CO 0.04 -0.46 -0.16 0.74 0.00 0.00 0.00 176.54 176.71 1d2b h PHE 116 N 0.22 0.00 0.00 5.60 0.04 -1.45 2.52 116.94 123.87 1d2b h PHE 116 Ca 0.64 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.40 1d2b h PHE 116 Cb 1.41 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.56 1d2b h PHE 116 CO -0.18 0.16 -0.44 0.00 -0.60 0.00 0.00 178.31 177.25 1d2b h THR 117 N 0.00 0.05 0.00 -1.55 1.03 0.18 -3.43 112.91 109.20 1d2b h THR 117 Ca -0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.32 1d2b h THR 117 Cb 1.08 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 1d2b h THR 117 CO 0.02 0.03 0.00 1.17 -0.01 0.00 0.00 175.52 176.73 1d2b n LYS 118 N -2.94 0.00 -0.01 0.00 4.81 0.32 -5.01 118.16 115.33 1d2b n LYS 118 Ca 0.02 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.55 1d2b n LYS 118 Cb 0.55 -0.47 -0.14 0.00 0.02 0.00 0.00 35.03 35.00 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1d2b n THR 119 N -1.27 0.00 -0.49 3.15 -1.04 0.39 -4.68 114.28 110.35 1d2b n THR 119 Ca 0.00 -0.32 0.08 0.00 -2.04 0.00 0.00 64.05 61.77 1d2b n THR 119 Cb 0.00 0.35 0.34 0.00 -1.82 0.00 0.00 70.33 69.20 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 -1.95 1.51 0.23 -1.42 4.02 0.75 -2.25 117.16 118.05 1d2b n TYR 120 Ca -0.01 -0.58 0.09 0.00 -0.01 0.00 0.00 57.90 57.39 1d2b n TYR 120 Cb 0.44 -0.29 -0.14 0.00 -0.02 0.00 0.00 39.34 39.33 1d2b n TYR 120 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1d2b n THR 121 N 0.92 0.00 0.00 -0.72 5.66 -1.26 -2.84 114.28 116.04 1d2b n THR 121 Ca 0.24 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1d2b n THR 121 Cb 0.90 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 70.00 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1d2b n VAL 122 N -1.97 0.00 -1.63 1.08 0.31 -1.26 -4.71 118.33 110.16 1d2b n VAL 122 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1d2b n VAL 122 Cb 0.44 -0.47 0.16 0.00 -0.91 0.00 0.00 33.84 33.06 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 2.82 4.29 0.44 2.92 0.00 -0.95 -4.84 105.19 109.87 1d2b n GLY 123 Ca 0.00 -1.14 0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.79 0.01 0.00 0.00 0.28 -1.26 -2.69 120.64 112.20 1d2b n GLU 125 Ca 0.40 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1d2b n GLU 125 Cb 1.51 -1.12 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1d2b n GLU 125 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12