#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibd n ASP 2 N 0.00 0.85 -2.64 1.69 8.00 -1.26 -5.12 116.55 118.06 1ibd n ASP 2 Ca 0.00 0.12 -0.03 0.00 0.71 0.00 0.00 54.79 55.59 1ibd n ASP 2 Cb 0.00 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 1ibd n ASP 2 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ibd n LEU 3 N -3.28 -5.26 -4.85 0.64 4.77 -1.26 -4.82 117.00 102.93 1ibd n LEU 3 Ca -0.02 1.93 -0.22 0.00 -0.03 0.00 0.00 56.01 57.67 1ibd n LEU 3 Cb 0.07 -2.65 -0.04 0.00 -2.33 0.00 0.00 43.42 38.47 1ibd n LEU 3 CO 0.03 -3.33 -0.13 -0.89 -1.33 0.00 0.00 177.39 171.74 1ibd s THR 4 N -0.41 4.36 -0.27 -5.08 2.01 -1.26 -4.36 115.64 110.63 1ibd s THR 4 Ca -0.14 -1.34 -0.02 0.00 0.31 0.00 0.00 61.69 60.50 1ibd s THR 4 Cb 0.01 -3.41 0.04 0.00 0.01 0.00 0.00 72.50 69.14 1ibd s THR 4 CO 0.38 -0.31 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.28 1ibd s VAL 5 N -2.15 2.95 0.14 3.82 1.01 0.83 -4.82 120.40 122.17 1ibd s VAL 5 Ca 0.35 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1ibd s VAL 5 Cb -0.08 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.64 1ibd s VAL 5 CO 0.26 0.06 1.18 -0.54 0.00 0.00 0.00 175.10 176.05 1ibd s LYS 6 N 1.30 4.49 -0.08 2.72 1.02 -1.26 -0.23 119.74 127.70 1ibd s LYS 6 Ca -0.02 1.80 0.01 0.00 0.02 0.00 0.00 55.97 57.78 1ibd s LYS 6 Cb -0.18 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1ibd s LYS 6 CO -0.03 -0.11 -0.10 -1.64 -0.92 0.00 0.00 175.35 172.55 1ibd s MET 7 N 0.23 2.86 -0.02 1.68 -1.94 0.27 -4.30 119.30 118.08 1ibd s MET 7 Ca 0.54 -0.61 0.07 0.00 -1.71 0.00 0.00 55.69 53.97 1ibd s MET 7 Cb -0.31 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 33.96 1ibd s MET 7 CO 0.33 0.54 -0.22 0.99 -0.01 0.00 0.00 175.02 176.65 1ibd s THR 8 N -0.49 1.77 -0.01 2.05 2.01 -0.16 -1.17 115.64 119.64 1ibd s THR 8 Ca 0.07 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 1ibd s THR 8 Cb -0.12 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 1ibd s THR 8 CO 0.02 0.50 1.35 -0.62 -0.69 0.00 0.00 174.62 175.18 1ibd s ASP 9 N -0.46 6.90 0.36 3.53 -1.08 -0.67 -1.31 116.67 123.94 1ibd s ASP 9 Ca 0.07 2.05 0.11 0.00 -0.52 0.00 0.00 52.55 54.26 1ibd s ASP 9 Cb -0.09 -2.56 0.68 0.00 -1.46 0.00 0.00 42.92 39.48 1ibd s ASP 9 CO -0.00 -0.69 1.81 -0.07 0.52 0.00 0.00 175.17 176.74 1ibd h LEU 10 N 8.29 0.07 0.22 -1.34 3.38 -1.18 0.20 115.31 124.95 1ibd h LEU 10 Ca -0.37 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.26 1ibd h LEU 10 Cb 1.17 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 41.93 1ibd h LEU 10 CO 0.90 0.42 -1.41 -0.61 0.09 0.00 0.00 178.44 177.83 1ibd h GLN 11 N 0.06 0.46 0.00 1.13 5.75 -1.88 -3.38 115.11 117.25 1ibd h GLN 11 Ca 0.01 -0.78 -0.19 0.00 -0.15 0.00 0.00 58.65 57.53 1ibd h GLN 11 Cb 0.66 0.29 -0.04 0.00 1.07 0.00 0.00 27.48 29.47 1ibd h GLN 11 CO 0.05 1.37 -2.15 0.25 -2.65 0.00 0.00 178.83 175.70 1ibd n THR 12 N -3.66 0.74 -0.92 2.39 -2.24 -1.22 -4.98 114.28 104.39 1ibd n THR 12 Ca -0.14 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1ibd n THR 12 Cb 1.08 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1ibd n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ibd n GLY 13 N 1.50 0.95 3.84 3.38 0.00 0.71 -5.02 105.19 110.56 1ibd n GLY 13 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1ibd n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibd s LYS 14 N -0.08 3.97 0.50 1.61 1.02 -1.25 -4.77 119.74 120.74 1ibd s LYS 14 Ca 0.00 0.47 -0.23 0.00 0.02 0.00 0.00 55.97 56.23 1ibd s LYS 14 Cb 0.00 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.28 1ibd s LYS 14 CO 0.00 0.51 1.35 -2.14 -0.92 0.00 0.00 175.35 174.15 1ibd s PRO 15 N -1.86 3.40 0.00 -1.68 0.02 -1.26 -1.67 135.00 131.94 1ibd s PRO 15 Ca 0.36 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1ibd s PRO 15 Cb -0.15 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 31.96 1ibd s PRO 15 CO 0.19 -0.98 0.88 1.33 -0.33 0.00 0.00 177.00 178.09 1ibd n VAL 16 N -0.69 0.76 0.00 3.83 0.24 -0.32 -4.83 118.33 117.33 1ibd n VAL 16 Ca 0.08 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 1ibd n VAL 16 Cb 0.44 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1ibd n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ibd n GLY 17 N -0.38 0.48 3.25 7.63 0.00 -1.24 -0.93 105.19 114.00 1ibd n GLY 17 Ca 0.00 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 1ibd n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ibd s THR 18 N -0.53 0.69 -0.07 2.61 -4.23 -0.96 -0.56 115.64 112.58 1ibd s THR 18 Ca 0.00 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1ibd s THR 18 Cb 0.00 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.69 1ibd s THR 18 CO 0.00 -0.44 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.89 1ibd s ILE 19 N -3.65 1.16 -0.14 2.99 1.01 0.68 -1.22 121.20 122.03 1ibd s ILE 19 Ca 0.25 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 1ibd s ILE 19 Cb 0.06 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 1ibd s ILE 19 CO 0.05 0.36 0.28 -0.70 0.00 0.00 0.00 174.94 174.93 1ibd s GLU 20 N 0.75 4.13 -0.13 2.79 2.12 0.07 -0.12 118.70 128.31 1ibd s GLU 20 Ca -0.13 0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.27 1ibd s GLU 20 Cb -0.16 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 1ibd s GLU 20 CO 0.03 0.35 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.47 1ibd s LEU 21 N 0.15 2.85 0.01 2.70 1.02 -1.26 -0.42 118.68 123.72 1ibd s LEU 21 Ca 0.16 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 54.06 1ibd s LEU 21 Cb -0.13 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 1ibd s LEU 21 CO 0.04 0.18 -0.04 -0.94 0.02 0.00 0.00 176.35 175.62 1ibd s SER 22 N 0.25 0.46 -0.05 2.29 1.04 -0.81 -4.97 113.70 111.91 1ibd s SER 22 Ca -0.08 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.01 1ibd s SER 22 Cb -0.15 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 1ibd s SER 22 CO 0.05 -0.04 0.39 -1.58 0.98 0.00 0.00 173.24 173.04 1ibd s GLN 23 N -0.49 4.04 0.24 4.02 2.00 -1.26 -0.80 119.66 127.41 1ibd s GLN 23 Ca -0.03 0.35 -0.00 0.00 -2.00 0.00 0.00 55.36 53.68 1ibd s GLN 23 Cb -0.04 -3.29 -0.03 0.00 0.80 0.00 0.00 33.01 30.45 1ibd s GLN 23 CO -0.00 0.52 0.22 0.54 -0.50 0.00 0.00 175.29 176.07 1ibd s ASN 24 N -0.50 0.53 0.00 6.67 2.20 0.10 -4.97 114.94 118.98 1ibd s ASN 24 Ca 0.23 -1.44 0.03 0.00 -0.94 0.00 0.00 52.86 50.74 1ibd s ASN 24 Cb -0.16 0.46 0.14 0.00 -2.00 0.00 0.00 41.25 39.69 1ibd s ASN 24 CO 0.11 -0.95 1.01 2.29 -2.94 0.00 0.00 177.10 176.62 1ibd n LYS 25 N -0.38 0.02 0.00 3.55 2.85 -1.26 -1.86 118.16 121.08 1ibd n LYS 25 Ca 0.03 0.36 0.04 0.00 -1.05 0.00 0.00 58.31 57.68 1ibd n LYS 25 Cb 0.64 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 1ibd n LYS 25 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ibd n TYR 26 N -1.40 0.00 -0.08 5.58 4.02 -1.26 -5.11 117.16 118.91 1ibd n TYR 26 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1ibd n TYR 26 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1ibd n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibd n GLY 27 N 0.72 0.59 3.38 2.72 0.00 -0.78 -4.03 105.19 107.79 1ibd n GLY 27 Ca 0.03 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1ibd n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibd s VAL 28 N -3.86 3.89 -0.01 1.61 1.01 -0.82 -0.72 120.40 121.50 1ibd s VAL 28 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1ibd s VAL 28 Cb 0.00 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1ibd s VAL 28 CO 0.00 0.34 0.55 0.00 0.00 0.00 0.00 175.10 175.99 1ibd s ALA 29 N 1.55 3.53 -0.31 5.51 0.00 0.02 -1.21 121.76 130.84 1ibd s ALA 29 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 1ibd s ALA 29 Cb -0.15 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.34 1ibd s ALA 29 CO 0.01 0.21 0.05 -0.06 0.00 0.00 0.00 175.76 175.97 1ibd s PHE 30 N -0.31 3.21 -0.45 0.00 0.40 0.31 -1.92 117.98 119.22 1ibd s PHE 30 Ca 0.29 -1.45 -0.10 0.00 -0.60 0.00 0.00 56.93 55.07 1ibd s PHE 30 Cb -0.18 -2.20 0.10 0.00 0.51 0.00 0.00 43.02 41.25 1ibd s PHE 30 CO 0.16 -0.72 0.31 0.42 0.70 0.00 0.00 175.22 176.10 1ibd s ILE 31 N 1.38 4.29 0.38 0.64 1.01 0.44 -0.98 121.20 128.36 1ibd s ILE 31 Ca -0.01 -1.57 -0.21 0.00 0.00 0.00 0.00 60.65 58.85 1ibd s ILE 31 Cb -0.19 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 1ibd s ILE 31 CO 0.01 -0.65 0.91 -2.16 0.00 0.00 0.00 174.94 173.05 1ibd s PRO 32 N 1.41 4.28 -0.41 2.79 0.04 -1.26 -0.75 135.00 141.10 1ibd s PRO 32 Ca 0.04 1.10 0.09 0.00 0.04 0.00 0.00 61.00 62.26 1ibd s PRO 32 Cb -0.25 -2.38 0.28 0.00 0.04 0.00 0.00 34.50 32.20 1ibd s PRO 32 CO 0.01 0.08 0.71 0.39 0.04 0.00 0.00 177.00 178.23 1ibd n GLU 33 N -0.28 0.83 -4.22 4.56 -0.58 -0.35 -4.14 120.64 116.45 1ibd n GLU 33 Ca 0.05 -2.87 -0.24 0.00 -0.42 0.00 0.00 57.16 53.68 1ibd n GLU 33 Cb 0.53 -1.38 -0.08 0.00 -0.57 0.00 0.00 31.44 29.95 1ibd n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ibd s LEU 34 N -1.57 3.11 0.26 -4.62 1.43 -0.95 -2.27 118.68 114.07 1ibd s LEU 34 Ca 0.34 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 1ibd s LEU 34 Cb 0.24 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 1ibd s LEU 34 CO -0.12 -0.30 0.46 0.00 0.23 0.00 0.00 176.35 176.62 1ibd s ALA 35 N -2.49 0.02 -1.32 4.21 0.00 -0.10 -2.21 121.76 119.87 1ibd s ALA 35 Ca 0.37 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 1ibd s ALA 35 Cb -0.01 1.10 0.01 0.00 0.00 0.00 0.00 23.12 24.22 1ibd s ALA 35 CO 0.21 -0.83 0.69 -0.25 0.00 0.00 0.00 175.76 175.58 1ibd n ASP 36 N -0.57 -5.69 -4.56 0.00 8.00 -0.84 -4.79 116.55 108.10 1ibd n ASP 36 Ca -0.01 -0.32 -0.25 0.00 0.71 0.00 0.00 54.79 54.92 1ibd n ASP 36 Cb 0.62 -4.45 -0.09 0.00 -0.02 0.00 0.00 41.12 37.18 1ibd n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ibd s LEU 37 N -6.12 2.90 0.00 0.64 1.43 -0.91 -5.08 118.68 111.54 1ibd s LEU 37 Ca 0.34 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 1ibd s LEU 37 Cb -0.15 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1ibd s LEU 37 CO 0.42 0.06 1.13 0.42 0.23 0.00 0.00 176.35 178.62 1ibd s THR 38 N -2.05 4.36 0.52 5.49 -4.23 -1.26 -4.16 115.64 114.30 1ibd s THR 38 Ca 0.27 1.68 -0.20 0.00 -1.18 0.00 0.00 61.69 62.26 1ibd s THR 38 Cb -0.07 -4.08 -0.09 0.00 1.34 0.00 0.00 72.50 69.60 1ibd s THR 38 CO 0.16 0.09 0.79 -2.65 -0.54 0.00 0.00 174.62 172.47 1ibd n PRO 39 N 4.34 0.87 0.00 3.99 -0.02 -1.26 -4.72 135.00 138.21 1ibd n PRO 39 Ca 0.09 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ibd n PRO 39 Cb 0.48 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1ibd n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibd n GLY 40 N 1.47 0.51 3.77 -1.23 0.00 -0.08 -4.92 105.19 104.71 1ibd n GLY 40 Ca 0.12 -2.32 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 1ibd n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ibd s MET 41 N -0.55 4.31 -0.03 1.61 -1.94 -1.26 -1.22 119.30 120.21 1ibd s MET 41 Ca 0.00 0.76 0.06 0.00 -1.71 0.00 0.00 55.69 54.80 1ibd s MET 41 Cb 0.00 -3.33 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 1ibd s MET 41 CO 0.00 0.41 -0.21 -1.01 -0.01 0.00 0.00 175.02 174.20 1ibd s HIS 42 N -0.34 1.94 0.31 -0.03 3.76 0.01 -3.66 115.29 117.28 1ibd s HIS 42 Ca 0.31 -0.47 -0.30 0.00 -0.15 0.00 0.00 55.06 54.46 1ibd s HIS 42 Cb -0.19 -1.27 -0.11 0.00 1.11 0.00 0.00 32.58 32.12 1ibd s HIS 42 CO 0.18 -0.11 1.59 0.20 -0.85 0.00 0.00 174.74 175.75 1ibd s GLY 43 N -0.27 2.21 -0.12 -2.22 0.00 0.49 -1.30 107.32 106.11 1ibd s GLY 43 Ca 0.02 1.60 -0.04 0.00 0.00 0.00 0.00 44.72 46.30 1ibd s GLY 43 CO 0.01 2.54 0.07 -0.12 0.00 0.00 0.00 173.10 175.60 1ibd s PHE 44 N -0.16 0.20 0.08 1.90 5.36 -1.26 0.03 117.98 124.13 1ibd s PHE 44 Ca 0.62 -0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 56.43 1ibd s PHE 44 Cb -0.48 -0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 41.55 1ibd s PHE 44 CO 0.51 -0.38 0.10 -1.01 -1.46 0.00 0.00 175.22 172.97 1ibd s HIS 45 N 2.13 0.33 0.01 10.12 3.76 -0.86 -2.77 115.29 128.01 1ibd s HIS 45 Ca 0.03 -0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 53.97 1ibd s HIS 45 Cb -0.14 -0.20 -0.06 0.00 1.11 0.00 0.00 32.58 33.29 1ibd s HIS 45 CO -0.06 -0.48 0.49 0.42 -0.85 0.00 0.00 174.74 174.25 1ibd s ILE 46 N -3.89 4.94 0.24 0.60 -1.09 0.10 -1.33 121.20 120.78 1ibd s ILE 46 Ca 0.07 1.02 0.08 0.00 -2.23 0.00 0.00 60.65 59.58 1ibd s ILE 46 Cb 0.06 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1ibd s ILE 46 CO -0.10 0.52 0.13 -1.00 -1.23 0.00 0.00 174.94 173.26 1ibd s HIS 47 N -0.75 3.00 0.08 3.97 3.76 0.54 -0.45 115.29 125.44 1ibd s HIS 47 Ca 0.26 -0.13 -0.32 0.00 -0.15 0.00 0.00 55.06 54.72 1ibd s HIS 47 Cb -0.18 -1.36 -0.16 0.00 1.11 0.00 0.00 32.58 32.00 1ibd s HIS 47 CO 0.15 0.55 1.62 0.37 -0.85 0.00 0.00 174.74 176.57 1ibd h GLN 48 N 1.72 -0.80 -6.64 1.40 5.75 -0.88 -3.18 115.11 112.48 1ibd h GLN 48 Ca -0.47 0.05 -0.51 0.00 -0.15 0.00 0.00 58.65 57.58 1ibd h GLN 48 Cb 1.24 0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.94 1ibd h GLN 48 CO 0.61 -0.53 0.08 -0.80 -2.65 0.00 0.00 178.83 175.54 1ibd s ASN 49 N -4.49 6.86 -1.34 -0.69 0.01 0.18 -4.73 114.94 110.74 1ibd s ASN 49 Ca -0.17 1.30 -0.06 0.00 -0.71 0.00 0.00 52.86 53.22 1ibd s ASN 49 Cb 0.05 -2.38 0.11 0.00 0.41 0.00 0.00 41.25 39.43 1ibd s ASN 49 CO 0.62 -0.11 2.43 0.61 -1.51 0.00 0.00 177.10 179.14 1ibd n GLY 50 N 0.05 5.15 3.39 0.66 0.00 -1.02 -2.77 105.19 110.66 1ibd n GLY 50 Ca 0.01 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.87 1ibd n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibd s SER 51 N 0.50 -0.45 0.00 1.61 0.15 -1.26 -4.93 113.70 109.32 1ibd s SER 51 Ca 0.55 0.54 0.05 0.00 0.70 0.00 0.00 55.95 57.79 1ibd s SER 51 Cb 0.18 0.56 0.11 0.00 -1.71 0.00 0.00 66.02 65.16 1ibd s SER 51 CO -0.09 -0.46 0.98 0.00 1.20 0.00 0.00 173.24 174.87 1ibd s ALA 53 N -0.83 0.45 0.80 0.00 0.00 -1.26 -3.47 121.76 117.46 1ibd s ALA 53 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 1ibd s ALA 53 Cb 0.05 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 20.00 1ibd s ALA 53 CO 0.07 -3.23 1.16 -1.12 0.00 0.00 0.00 175.76 172.65 1ibd s SER 54 N -2.87 4.55 0.30 0.00 0.01 -1.26 -1.02 113.70 113.40 1ibd s SER 54 Ca 0.67 0.85 0.05 0.00 1.31 0.00 0.00 55.95 58.83 1ibd s SER 54 Cb -0.22 -1.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 1ibd s SER 54 CO 0.61 -1.88 0.19 -1.54 0.41 0.00 0.00 173.24 171.02 1ibd n SER 55 N -3.32 0.12 -3.98 2.44 3.41 -0.09 -3.66 113.62 108.55 1ibd n SER 55 Ca 0.08 -2.78 -0.20 0.00 -0.26 0.00 0.00 58.87 55.71 1ibd n SER 55 Cb 0.60 1.16 -0.16 0.00 -0.26 0.00 0.00 64.21 65.55 1ibd n SER 55 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ibd s GLU 56 N -3.17 0.89 -0.16 4.33 -6.30 -1.26 -1.13 118.70 111.89 1ibd s GLU 56 Ca 0.26 -0.26 -0.04 0.00 -2.50 0.00 0.00 54.97 52.43 1ibd s GLU 56 Cb 0.01 -0.84 0.06 0.00 0.00 0.00 0.00 34.13 33.36 1ibd s GLU 56 CO 0.19 0.08 0.08 0.15 0.02 0.00 0.00 175.26 175.77 1ibd s LYS 57 N 0.30 0.18 -1.63 4.30 1.02 -0.64 -4.90 119.74 118.37 1ibd s LYS 57 Ca -0.04 -0.12 -0.14 0.00 0.02 0.00 0.00 55.97 55.69 1ibd s LYS 57 Cb -0.09 -1.79 0.12 0.00 -0.52 0.00 0.00 37.83 35.55 1ibd s LYS 57 CO 0.00 -0.64 0.68 -0.25 -0.92 0.00 0.00 175.35 174.23 1ibd n ASP 58 N 5.23 -2.51 0.00 2.83 8.00 -1.26 -1.22 116.55 127.63 1ibd n ASP 58 Ca -0.07 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1ibd n ASP 58 Cb 0.49 -2.81 0.00 0.00 -0.02 0.00 0.00 41.12 38.77 1ibd n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ibd n GLY 59 N -1.59 1.32 3.79 0.44 0.00 -1.26 -5.05 105.19 102.84 1ibd n GLY 59 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1ibd n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibd s LYS 60 N -0.54 3.11 0.06 1.61 1.02 -0.35 -5.09 119.74 119.56 1ibd s LYS 60 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1ibd s LYS 60 Cb 0.00 -2.90 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 1ibd s LYS 60 CO 0.00 0.67 0.97 0.08 -0.92 0.00 0.00 175.35 176.15 1ibd s VAL 61 N -1.14 4.67 -0.38 3.17 1.01 -1.26 -1.62 120.40 124.84 1ibd s VAL 61 Ca 0.21 2.06 0.02 0.00 0.00 0.00 0.00 61.98 64.27 1ibd s VAL 61 Cb -0.12 -4.32 0.11 0.00 0.00 0.00 0.00 36.38 32.05 1ibd s VAL 61 CO 0.12 0.25 0.12 -0.69 0.00 0.00 0.00 175.10 174.89 1ibd s VAL 62 N 0.44 2.65 0.16 2.92 1.01 -0.28 -4.96 120.40 122.34 1ibd s VAL 62 Ca 0.49 -2.33 -0.33 0.00 0.00 0.00 0.00 61.98 59.81 1ibd s VAL 62 Cb -0.22 -2.90 -0.13 0.00 0.00 0.00 0.00 36.38 33.13 1ibd s VAL 62 CO 0.29 -0.65 1.65 0.18 0.00 0.00 0.00 175.10 176.57 1ibd n LEU 63 N 4.28 3.43 -0.40 3.92 4.32 -1.26 -0.49 117.00 130.79 1ibd n LEU 63 Ca 0.02 1.07 -0.05 0.00 -0.02 0.00 0.00 56.01 57.03 1ibd n LEU 63 Cb 0.41 -1.47 -0.02 0.00 -1.62 0.00 0.00 43.42 40.72 1ibd n LEU 63 CO 0.26 -0.11 -0.05 0.61 -1.22 0.00 0.00 177.39 176.88 1ibd n GLY 64 N 3.67 0.72 0.22 -0.72 0.00 -1.15 -4.53 105.19 103.40 1ibd n GLY 64 Ca 0.17 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1ibd n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibd h GLY 65 N 0.00 0.00 2.00 -0.02 0.00 -0.40 -2.77 103.07 101.88 1ibd h GLY 65 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1ibd h GLY 65 CO 0.16 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.70 1ibd n ALA 66 N -2.28 1.38 0.52 3.60 0.00 -0.19 -1.75 120.51 121.78 1ibd n ALA 66 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1ibd n ALA 66 Cb 0.39 -1.23 0.45 0.00 0.00 0.00 0.00 19.45 19.06 1ibd n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibd n ALA 67 N -1.62 1.99 -0.07 0.00 0.00 -1.05 -4.58 120.51 115.18 1ibd n ALA 67 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ibd n ALA 67 Cb 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1ibd n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibd n GLY 68 N 0.69 -1.43 1.61 0.00 0.00 -0.72 0.50 105.19 105.84 1ibd n GLY 68 Ca 0.04 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 1ibd n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibd n GLY 69 N 0.00 -0.18 3.77 -0.02 0.00 -1.26 -4.69 105.19 102.81 1ibd n GLY 69 Ca 0.00 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1ibd n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibd s HIS 70 N -1.62 2.73 -0.15 1.61 3.76 -1.26 -0.69 115.29 119.67 1ibd s HIS 70 Ca 0.29 1.11 -0.35 0.00 -0.15 0.00 0.00 55.06 55.96 1ibd s HIS 70 Cb -0.01 -3.96 -0.12 0.00 1.11 0.00 0.00 32.58 29.59 1ibd s HIS 70 CO 0.20 -2.92 1.89 0.98 -0.85 0.00 0.00 174.74 174.04 1ibd n TYR 71 N 1.07 2.21 -3.24 1.40 9.36 0.40 -4.48 117.16 123.88 1ibd n TYR 71 Ca 0.03 0.11 -0.25 0.00 3.32 0.00 0.00 57.90 61.11 1ibd n TYR 71 Cb 0.39 -2.62 -0.08 0.00 -0.63 0.00 0.00 39.34 36.41 1ibd n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ibd n ASP 72 N 6.84 0.18 0.21 2.98 2.03 -1.26 -1.33 116.55 126.20 1ibd n ASP 72 Ca 0.25 -2.66 0.15 0.00 0.52 0.00 0.00 54.79 53.05 1ibd n ASP 72 Cb 0.26 -0.62 0.70 0.00 -0.72 0.00 0.00 41.12 40.74 1ibd n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ibd h PRO 73 N 4.35 0.00 -0.53 -0.67 0.13 -1.96 -2.28 132.00 131.04 1ibd h PRO 73 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ibd h PRO 73 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ibd h PRO 73 CO 0.46 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 1ibd n GLU 74 N -2.56 2.93 -4.04 0.86 1.02 -1.26 -4.99 120.64 112.60 1ibd n GLU 74 Ca -0.00 -2.43 -0.36 0.00 -0.02 0.00 0.00 57.16 54.35 1ibd n GLU 74 Cb 0.15 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1ibd n GLU 74 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1ibd n HIS 75 N 0.97 -1.50 0.06 -0.32 8.25 -0.86 -4.87 115.22 116.95 1ibd n HIS 75 Ca 0.19 0.41 -0.09 0.00 -0.26 0.00 0.00 57.72 57.97 1ibd n HIS 75 Cb 0.58 -3.10 -0.12 0.00 1.12 0.00 0.00 29.99 28.47 1ibd n HIS 75 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ibd h THR 76 N -2.13 1.64 -2.40 1.59 1.35 -1.90 -3.47 112.91 107.59 1ibd h THR 76 Ca -0.68 -3.33 -0.41 0.00 -0.55 0.00 0.00 66.41 61.45 1ibd h THR 76 Cb 1.39 2.85 -0.07 0.00 -1.73 0.00 0.00 68.15 70.59 1ibd h THR 76 CO 0.58 0.94 -0.47 0.59 -0.25 0.00 0.00 175.52 176.91 1ibd n ASN 77 N -3.37 -5.64 -4.06 5.36 5.03 -1.26 -4.91 115.26 106.39 1ibd n ASN 77 Ca -0.02 0.16 -0.10 0.00 0.87 0.00 0.00 54.58 55.49 1ibd n ASN 77 Cb 0.96 -4.80 -0.11 0.00 -1.02 0.00 0.00 39.78 34.82 1ibd n ASN 77 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ibd s LYS 78 N -4.61 0.54 -0.17 3.52 1.02 -1.26 -5.05 119.74 113.73 1ibd s LYS 78 Ca 0.00 -0.94 -0.03 0.00 0.02 0.00 0.00 55.97 55.02 1ibd s LYS 78 Cb 0.00 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1ibd s LYS 78 CO 0.00 -0.03 -0.05 -1.58 -0.92 0.00 0.00 175.35 172.76 1ibd s HIS 79 N -2.45 2.97 0.00 3.18 5.65 -1.26 -0.86 115.29 122.52 1ibd s HIS 79 Ca -0.04 -0.50 0.00 0.00 0.25 0.00 0.00 55.06 54.78 1ibd s HIS 79 Cb -0.03 -1.97 0.00 0.00 -1.18 0.00 0.00 32.58 29.40 1ibd s HIS 79 CO -0.04 -0.19 0.00 0.41 -0.65 0.00 0.00 174.74 174.28 1ibd n GLY 80 N 3.83 4.75 3.93 1.59 0.00 -1.26 -3.86 105.19 114.18 1ibd n GLY 80 Ca -0.18 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1ibd n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ibd s PHE 81 N 0.59 3.10 -0.68 1.61 0.08 -1.26 -4.64 117.98 116.78 1ibd s PHE 81 Ca 0.00 0.43 0.25 0.00 0.12 0.00 0.00 56.93 57.73 1ibd s PHE 81 Cb 0.00 -2.81 0.89 0.00 -0.57 0.00 0.00 43.02 40.54 1ibd s PHE 81 CO 0.00 -0.93 1.76 -2.30 -0.10 0.00 0.00 175.22 173.65 1ibd n PRO 82 N -2.57 0.21 -0.40 0.24 -0.02 -1.26 -3.16 135.00 128.04 1ibd n PRO 82 Ca 0.06 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1ibd n PRO 82 Cb 0.59 -1.79 0.24 0.00 -0.02 0.00 0.00 33.50 32.52 1ibd n PRO 82 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1ibd n TRP 83 N -2.17 0.87 -5.15 6.00 2.14 -1.26 -4.25 117.44 113.63 1ibd n TRP 83 Ca 0.04 -0.80 -0.32 0.00 2.07 0.00 0.00 57.50 58.50 1ibd n TRP 83 Cb 0.35 -0.26 -0.15 0.00 -0.81 0.00 0.00 31.31 30.44 1ibd n TRP 83 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1ibd s THR 84 N -2.46 2.44 -0.08 -1.67 -4.23 -1.19 -5.06 115.64 103.39 1ibd s THR 84 Ca 0.39 -0.96 0.15 0.00 -1.18 0.00 0.00 61.69 60.08 1ibd s THR 84 Cb 0.30 -1.89 -0.14 0.00 1.34 0.00 0.00 72.50 72.11 1ibd s THR 84 CO 0.10 0.58 0.93 0.44 -0.54 0.00 0.00 174.62 176.13 1ibd h ASP 85 N 5.45 0.00 -0.20 3.99 3.32 -1.93 -3.39 116.42 123.67 1ibd h ASP 85 Ca -0.44 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.42 1ibd h ASP 85 Cb 1.13 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 1ibd h ASP 85 CO 0.48 0.71 -0.08 -0.67 -1.72 0.00 0.00 179.24 177.96 1ibd n ASP 86 N -3.02 5.57 -3.83 6.45 2.03 -1.26 -4.82 116.55 117.67 1ibd n ASP 86 Ca -0.09 -2.62 -0.06 0.00 0.52 0.00 0.00 54.79 52.54 1ibd n ASP 86 Cb 0.88 -1.27 -0.02 0.00 -0.72 0.00 0.00 41.12 39.99 1ibd n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ibd s ASN 87 N 1.58 -0.24 -0.20 1.67 4.22 -1.26 -4.69 114.94 116.01 1ibd s ASN 87 Ca 0.42 -0.56 -0.42 0.00 -2.14 0.00 0.00 52.86 50.17 1ibd s ASN 87 Cb 0.23 0.67 -0.19 0.00 1.28 0.00 0.00 41.25 43.24 1ibd s ASN 87 CO -0.03 -1.25 1.25 1.41 -2.04 0.00 0.00 177.10 176.44 1ibd n HIS 88 N -0.46 1.07 0.33 1.54 8.25 -0.04 -4.79 115.22 121.12 1ibd n HIS 88 Ca -0.05 1.06 0.15 0.00 -0.26 0.00 0.00 57.72 58.63 1ibd n HIS 88 Cb 0.59 -2.08 0.62 0.00 1.12 0.00 0.00 29.99 30.25 1ibd n HIS 88 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1ibd h LYS 89 N 3.72 0.00 -0.03 -0.41 3.64 -1.80 -2.57 116.57 119.12 1ibd h LYS 89 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1ibd h LYS 89 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1ibd h LYS 89 CO 0.76 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.35 1ibd n GLY 90 N -0.05 -0.47 3.61 5.01 0.00 -0.44 -4.76 105.19 108.08 1ibd n GLY 90 Ca 0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1ibd n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibd s ASP 91 N -1.89 6.21 0.37 1.61 1.01 -0.97 -0.72 116.67 122.29 1ibd s ASP 91 Ca 0.40 1.10 0.08 0.00 0.71 0.00 0.00 52.55 54.83 1ibd s ASP 91 Cb 0.20 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1ibd s ASP 91 CO 0.32 -1.48 0.34 -0.76 0.21 0.00 0.00 175.17 173.79 1ibd s LEU 92 N 5.83 3.54 0.56 1.23 1.43 -1.11 -4.08 118.68 126.07 1ibd s LEU 92 Ca 0.68 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 1ibd s LEU 92 Cb -0.18 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1ibd s LEU 92 CO 0.32 -0.47 1.15 -2.84 0.23 0.00 0.00 176.35 174.74 1ibd s PRO 93 N -4.06 3.23 0.64 1.29 0.02 -1.26 -4.67 135.00 130.19 1ibd s PRO 93 Ca 0.44 1.66 -0.18 0.00 0.02 0.00 0.00 61.00 62.94 1ibd s PRO 93 Cb -0.05 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 1ibd s PRO 93 CO 0.27 -0.96 1.27 0.00 -0.33 0.00 0.00 177.00 177.25 1ibd s ALA 94 N -1.74 2.39 -0.19 -1.55 0.00 -1.26 -4.62 121.76 114.78 1ibd s ALA 94 Ca 0.74 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 53.73 1ibd s ALA 94 Cb -0.26 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 1ibd s ALA 94 CO 0.29 -1.53 0.16 -1.17 0.00 0.00 0.00 175.76 173.51 1ibd s LEU 95 N -4.38 4.22 0.00 0.00 2.96 -0.42 -4.86 118.68 116.19 1ibd s LEU 95 Ca 0.81 0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 54.81 1ibd s LEU 95 Cb -0.35 -2.15 -0.06 0.00 0.50 0.00 0.00 46.19 44.13 1ibd s LEU 95 CO 0.39 0.16 0.54 0.12 -1.32 0.00 0.00 176.35 176.24 1ibd s PHE 96 N 0.39 3.70 -0.13 5.38 5.36 -1.26 -0.81 117.98 130.61 1ibd s PHE 96 Ca 0.10 1.14 0.02 0.00 -0.96 0.00 0.00 56.93 57.23 1ibd s PHE 96 Cb -0.11 -2.52 0.01 0.00 -0.34 0.00 0.00 43.02 40.06 1ibd s PHE 96 CO -0.01 0.44 -0.19 0.08 -1.46 0.00 0.00 175.22 174.08 1ibd s VAL 97 N -0.47 1.84 0.97 3.12 1.01 -0.36 -4.31 120.40 122.20 1ibd s VAL 97 Ca 0.29 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1ibd s VAL 97 Cb -0.18 -1.65 0.17 0.00 0.00 0.00 0.00 36.38 34.72 1ibd s VAL 97 CO 0.16 0.51 1.09 -0.44 0.00 0.00 0.00 175.10 176.42 1ibd s SER 98 N 0.94 2.85 0.52 3.32 0.01 0.70 -0.90 113.70 121.13 1ibd s SER 98 Ca -0.06 1.30 0.23 0.00 1.31 0.00 0.00 55.95 58.74 1ibd s SER 98 Cb -0.15 -1.97 1.36 0.00 0.21 0.00 0.00 66.02 65.47 1ibd s SER 98 CO -0.03 -3.01 2.01 0.00 0.41 0.00 0.00 173.24 172.63 1ibd h ALA 99 N -1.81 2.41 -0.10 1.44 0.00 -1.96 0.42 119.26 119.66 1ibd h ALA 99 Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ibd h ALA 99 Cb 1.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ibd h ALA 99 CO 0.56 -0.55 0.00 0.27 0.00 0.00 0.00 179.25 179.54 1ibd n ASN 100 N -4.40 0.68 -0.85 0.00 2.04 -1.26 -4.80 115.26 106.67 1ibd n ASN 100 Ca 0.08 -2.01 -0.10 0.00 -0.44 0.00 0.00 54.58 52.11 1ibd n ASN 100 Cb 0.53 -0.12 -0.03 0.00 -2.53 0.00 0.00 39.78 37.63 1ibd n ASN 100 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ibd n GLY 101 N 0.60 0.77 3.63 4.83 0.00 0.15 -4.72 105.19 110.45 1ibd n GLY 101 Ca 0.04 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1ibd n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibd s LEU 102 N -2.37 3.33 -0.23 0.99 1.43 -1.25 -1.99 118.68 118.59 1ibd s LEU 102 Ca 0.00 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1ibd s LEU 102 Cb 0.00 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.41 1ibd s LEU 102 CO 0.00 0.31 -0.12 0.00 0.23 0.00 0.00 176.35 176.77 1ibd s ALA 103 N -0.97 2.54 0.00 4.21 0.00 -0.94 -0.22 121.76 126.39 1ibd s ALA 103 Ca 0.16 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1ibd s ALA 103 Cb -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1ibd s ALA 103 CO 0.06 -0.84 0.15 0.25 0.00 0.00 0.00 175.76 175.38 1ibd n THR 104 N 4.56 0.02 -2.62 0.00 -2.24 -1.26 -2.23 114.28 110.50 1ibd n THR 104 Ca -0.17 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 1ibd n THR 104 Cb 0.46 1.70 -0.02 0.00 -2.10 0.00 0.00 70.33 70.37 1ibd n THR 104 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ibd s ASN 105 N -0.02 6.66 0.79 3.42 3.04 -1.26 -4.66 114.94 122.90 1ibd s ASN 105 Ca 0.00 0.51 -0.12 0.00 0.04 0.00 0.00 52.86 53.28 1ibd s ASN 105 Cb 0.00 -2.54 0.07 0.00 -1.54 0.00 0.00 41.25 37.24 1ibd s ASN 105 CO 0.00 -1.20 1.16 -2.16 -3.04 0.00 0.00 177.10 171.86 1ibd s PRO 106 N 4.32 1.86 0.01 0.43 0.04 -1.26 -4.62 135.00 135.78 1ibd s PRO 106 Ca 0.47 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 1ibd s PRO 106 Cb -0.08 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ibd s PRO 106 CO 0.30 -2.00 0.10 0.08 0.04 0.00 0.00 177.00 175.51 1ibd s VAL 107 N -2.41 0.09 -0.02 -0.36 1.01 -0.15 -4.95 120.40 113.59 1ibd s VAL 107 Ca 0.69 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1ibd s VAL 107 Cb -0.24 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1ibd s VAL 107 CO 0.51 -0.42 -0.16 -0.22 0.00 0.00 0.00 175.10 174.81 1ibd s LEU 108 N -1.44 2.62 -0.38 3.92 2.96 -1.26 0.11 118.68 125.21 1ibd s LEU 108 Ca -0.15 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1ibd s LEU 108 Cb -0.08 -1.53 0.11 0.00 0.50 0.00 0.00 46.19 45.19 1ibd s LEU 108 CO 0.01 0.32 0.10 0.00 -1.32 0.00 0.00 176.35 175.46 1ibd s ALA 109 N -0.76 2.98 0.33 5.97 0.00 -0.35 -4.58 121.76 125.34 1ibd s ALA 109 Ca 0.12 -2.70 0.32 0.00 0.00 0.00 0.00 51.96 49.70 1ibd s ALA 109 Cb -0.10 -2.01 1.53 0.00 0.00 0.00 0.00 23.12 22.53 1ibd s ALA 109 CO 0.02 -1.76 2.07 -1.00 0.00 0.00 0.00 175.76 175.08 1ibd h PRO 110 N 7.36 0.00 0.00 0.00 0.13 -1.79 -2.15 132.00 135.55 1ibd h PRO 110 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1ibd h PRO 110 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ibd h PRO 110 CO 0.56 0.08 -0.40 0.54 -0.23 0.00 0.00 178.00 178.55 1ibd n ARG 111 N -3.34 0.13 -3.99 0.86 1.74 -1.26 -4.58 116.66 106.22 1ibd n ARG 111 Ca -0.01 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 1ibd n ARG 111 Cb 0.26 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1ibd n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ibd s LEU 112 N -3.58 4.23 0.07 0.55 1.43 -1.17 -5.08 118.68 115.13 1ibd s LEU 112 Ca 0.10 0.06 0.10 0.00 -1.03 0.00 0.00 54.13 53.35 1ibd s LEU 112 Cb 0.16 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1ibd s LEU 112 CO 0.66 -0.01 -0.26 0.42 0.23 0.00 0.00 176.35 177.39 1ibd s THR 113 N -1.90 2.15 0.14 5.49 -4.23 -1.26 -3.82 115.64 112.22 1ibd s THR 113 Ca 0.34 -1.49 -0.17 0.00 -1.18 0.00 0.00 61.69 59.19 1ibd s THR 113 Cb -0.10 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1ibd s THR 113 CO 0.28 0.28 1.79 0.25 -0.54 0.00 0.00 174.62 176.68 1ibd h LEU 114 N 4.54 0.33 -0.76 4.79 5.85 -1.93 -3.05 115.31 125.08 1ibd h LEU 114 Ca -0.48 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.39 1ibd h LEU 114 Cb 1.15 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 1ibd h LEU 114 CO 0.42 0.24 0.28 0.11 -0.34 0.00 0.00 178.44 179.15 1ibd h LYS 115 N 0.41 0.39 0.00 1.25 1.57 -2.00 -0.77 116.57 117.41 1ibd h LYS 115 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ibd h LYS 115 Cb -0.02 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1ibd h LYS 115 CO -0.04 0.26 0.00 -0.85 -0.57 0.00 0.00 179.45 178.24 1ibd n GLU 116 N -5.04 0.03 0.05 3.15 0.28 -1.15 -3.57 120.64 114.39 1ibd n GLU 116 Ca 0.15 0.27 -0.12 0.00 -0.16 0.00 0.00 57.16 57.29 1ibd n GLU 116 Cb 0.44 -1.55 -0.13 0.00 1.43 0.00 0.00 31.44 31.62 1ibd n GLU 116 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1ibd h LEU 117 N 0.00 0.20 -9.76 -1.84 3.38 -1.19 -3.47 115.31 102.64 1ibd h LEU 117 Ca 0.00 -0.26 -0.57 0.00 0.09 0.00 0.00 57.88 57.14 1ibd h LEU 117 Cb 0.27 -0.07 0.12 0.00 0.09 0.00 0.00 40.66 41.08 1ibd h LEU 117 CO 0.00 1.21 0.39 1.17 0.09 0.00 0.00 178.44 181.31 1ibd n LYS 118 N -3.36 1.77 -0.04 1.13 4.81 -1.23 -1.61 118.16 119.63 1ibd n LYS 118 Ca -0.10 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1ibd n LYS 118 Cb 1.01 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.79 1ibd n LYS 118 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibd n GLY 119 N 0.92 1.46 4.03 3.14 0.00 0.21 -5.00 105.19 109.96 1ibd n GLY 119 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1ibd n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibd s HIS 120 N -2.55 1.33 0.06 1.61 3.76 -0.64 -2.42 115.29 116.45 1ibd s HIS 120 Ca 0.00 -0.72 0.07 0.00 -0.15 0.00 0.00 55.06 54.27 1ibd s HIS 120 Cb 0.00 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 1ibd s HIS 120 CO 0.00 -1.23 -0.17 0.00 -0.85 0.00 0.00 174.74 172.49 1ibd s ALA 121 N -2.71 2.67 -0.25 -1.40 0.00 -1.11 -0.54 121.76 118.42 1ibd s ALA 121 Ca 0.63 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1ibd s ALA 121 Cb -0.05 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1ibd s ALA 121 CO 0.40 0.59 0.15 0.42 0.00 0.00 0.00 175.76 177.31 1ibd s ILE 122 N -1.01 5.14 -0.04 0.00 -1.09 0.26 -0.34 121.20 124.13 1ibd s ILE 122 Ca 0.16 0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.75 1ibd s ILE 122 Cb -0.11 -3.41 -0.02 0.00 -1.58 0.00 0.00 42.46 37.35 1ibd s ILE 122 CO 0.07 0.33 -0.24 -0.32 -1.23 0.00 0.00 174.94 173.55 1ibd s MET 123 N 1.27 2.36 -0.11 2.79 1.75 -0.44 -1.48 119.30 125.44 1ibd s MET 123 Ca 0.07 -0.89 0.03 0.00 -1.25 0.00 0.00 55.69 53.65 1ibd s MET 123 Cb -0.14 -2.14 0.01 0.00 2.84 0.00 0.00 34.83 35.39 1ibd s MET 123 CO 0.06 0.49 -0.22 0.42 -0.65 0.00 0.00 175.02 175.12 1ibd s ILE 124 N -0.42 1.97 0.38 10.11 1.01 0.06 -2.02 121.20 132.29 1ibd s ILE 124 Ca 0.04 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1ibd s ILE 124 Cb -0.12 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1ibd s ILE 124 CO 0.01 0.54 0.44 -1.00 0.00 0.00 0.00 174.94 174.92 1ibd s HIS 125 N 0.59 2.87 0.02 3.97 3.76 0.11 -0.79 115.29 125.81 1ibd s HIS 125 Ca -0.13 -0.37 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 1ibd s HIS 125 Cb -0.17 -2.12 -0.20 0.00 1.11 0.00 0.00 32.58 31.21 1ibd s HIS 125 CO 0.04 -0.12 1.18 0.00 -0.85 0.00 0.00 174.74 174.98 1ibd h ALA 126 N 0.93 0.14 -4.63 -1.40 0.00 -1.00 -3.36 119.26 109.95 1ibd h ALA 126 Ca -0.43 -0.52 -0.42 0.00 0.00 0.00 0.00 54.91 53.55 1ibd h ALA 126 Cb 1.27 0.01 0.12 0.00 0.00 0.00 0.00 17.79 19.18 1ibd h ALA 126 CO 0.53 0.34 0.25 0.41 0.00 0.00 0.00 179.25 180.78 1ibd n GLY 127 N 0.83 -0.40 0.00 0.00 0.00 0.11 -4.84 105.19 100.89 1ibd n GLY 127 Ca -0.09 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1ibd n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibd n GLY 128 N -2.60 1.21 3.15 -0.02 0.00 -1.24 -0.38 105.19 105.31 1ibd n GLY 128 Ca 0.15 -1.57 0.04 0.00 0.00 0.00 0.00 46.02 44.64 1ibd n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibd s ASP 129 N -1.00 -1.49 -0.06 1.61 -1.08 -1.21 -2.64 116.67 110.80 1ibd s ASP 129 Ca 0.00 0.60 0.14 0.00 -0.52 0.00 0.00 52.55 52.77 1ibd s ASP 129 Cb 0.00 2.11 0.52 0.00 -1.46 0.00 0.00 42.92 44.10 1ibd s ASP 129 CO 0.00 -0.28 1.40 -0.46 0.52 0.00 0.00 175.17 176.36 1ibd n ASN 130 N 5.43 3.47 -3.76 -0.34 6.94 -1.04 -4.86 115.26 121.10 1ibd n ASN 130 Ca 0.01 -2.25 -0.23 0.00 -0.02 0.00 0.00 54.58 52.10 1ibd n ASN 130 Cb 0.52 -0.46 0.02 0.00 -2.36 0.00 0.00 39.78 37.50 1ibd n ASN 130 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1ibd n HIS 131 N 0.86 -1.85 -3.57 -2.53 8.25 -1.26 -4.98 115.22 110.14 1ibd n HIS 131 Ca 0.19 0.78 -0.09 0.00 -0.26 0.00 0.00 57.72 58.35 1ibd n HIS 131 Cb 0.63 -4.14 -0.02 0.00 1.12 0.00 0.00 29.99 27.59 1ibd n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ibd s SER 132 N -4.28 -0.40 0.00 0.41 0.15 -1.25 -4.27 113.70 104.06 1ibd s SER 132 Ca 0.05 -0.17 0.21 0.00 0.70 0.00 0.00 55.95 56.74 1ibd s SER 132 Cb -0.01 0.55 0.53 0.00 -1.71 0.00 0.00 66.02 65.38 1ibd s SER 132 CO 0.84 -0.93 1.45 0.47 1.20 0.00 0.00 173.24 176.26 1ibd n ASP 133 N -0.37 2.83 -4.12 5.45 8.00 -1.26 -0.57 116.55 126.52 1ibd n ASP 133 Ca -0.11 -1.92 -0.23 0.00 0.71 0.00 0.00 54.79 53.25 1ibd n ASP 133 Cb 0.62 -0.25 -0.15 0.00 -0.02 0.00 0.00 41.12 41.33 1ibd n ASP 133 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ibd s MET 134 N -1.51 1.17 0.00 -1.24 -1.94 -1.26 -2.93 119.30 111.60 1ibd s MET 134 Ca 0.37 -0.54 0.27 0.00 -1.71 0.00 0.00 55.69 54.07 1ibd s MET 134 Cb 0.20 -1.14 1.18 0.00 2.01 0.00 0.00 34.83 37.09 1ibd s MET 134 CO 0.28 0.31 1.87 -0.35 -0.01 0.00 0.00 175.02 177.12 1ibd n PRO 135 N 2.66 0.08 -5.10 2.03 -0.04 -1.26 -4.98 135.00 128.39 1ibd n PRO 135 Ca -0.14 0.04 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 1ibd n PRO 135 Cb 0.55 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 1ibd n PRO 135 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ibd s LYS 136 N -2.91 1.80 0.71 0.54 2.20 -1.23 -5.09 119.74 115.76 1ibd s LYS 136 Ca 0.15 -0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 54.80 1ibd s LYS 136 Cb 0.18 -1.75 0.02 0.00 -1.51 0.00 0.00 37.83 34.76 1ibd s LYS 136 CO 0.47 0.48 1.19 0.00 -0.36 0.00 0.00 175.35 177.13 1ibd n ALA 137 N 2.51 0.50 -3.79 3.13 0.00 -1.15 -3.30 120.51 118.41 1ibd n ALA 137 Ca -0.15 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 1ibd n ALA 137 Cb 0.52 -2.25 0.03 0.00 0.00 0.00 0.00 19.45 17.75 1ibd n ALA 137 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ibd n LEU 138 N -2.22 -2.59 0.00 0.00 4.77 -1.26 -1.59 117.00 114.10 1ibd n LEU 138 Ca 0.15 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1ibd n LEU 138 Cb 0.49 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.97 1ibd n LEU 138 CO 0.48 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1ibd n GLY 139 N -1.69 0.19 2.16 -0.72 0.00 0.27 -2.90 105.19 102.49 1ibd n GLY 139 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1ibd n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibd n GLY 140 N -0.50 0.63 0.26 -0.02 0.00 -0.62 -2.48 105.19 102.46 1ibd n GLY 140 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.47 1ibd n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibd h GLY 141 N 0.00 0.16 0.00 -0.02 0.00 -1.37 -3.33 103.07 98.51 1ibd h GLY 141 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1ibd h GLY 141 CO 0.10 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.31 1ibd n GLY 142 N -1.35 1.86 3.68 4.60 0.00 -1.26 0.06 105.19 112.78 1ibd n GLY 142 Ca -0.01 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1ibd n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibd s ALA 143 N -1.94 1.53 -0.20 4.61 0.00 -1.26 -4.74 121.76 119.76 1ibd s ALA 143 Ca 0.00 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1ibd s ALA 143 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1ibd s ALA 143 CO 0.00 -2.69 0.30 1.03 0.00 0.00 0.00 175.76 174.40 1ibd s ARG 144 N -4.56 4.17 -0.11 0.00 0.52 -1.26 -1.13 118.95 116.58 1ibd s ARG 144 Ca 0.68 0.04 0.11 0.00 -0.52 0.00 0.00 55.73 56.04 1ibd s ARG 144 Cb -0.24 -3.51 -0.15 0.00 0.52 0.00 0.00 34.95 31.57 1ibd s ARG 144 CO 0.57 0.06 0.07 1.33 0.02 0.00 0.00 175.30 177.35 1ibd n VAL 145 N 4.12 0.72 -3.91 3.52 0.24 0.03 -4.78 118.33 118.26 1ibd n VAL 145 Ca -0.11 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.34 61.61 1ibd n VAL 145 Cb 0.52 -0.58 -0.12 0.00 -1.47 0.00 0.00 33.84 32.19 1ibd n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ibd s ALA 146 N -2.36 -0.04 0.04 2.33 0.00 -0.92 -0.64 121.76 120.17 1ibd s ALA 146 Ca -0.06 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 1ibd s ALA 146 Cb 0.04 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1ibd s ALA 146 CO 0.49 -0.11 0.40 0.00 0.00 0.00 0.00 175.76 176.54 1ibd s GLY 148 N -2.02 -0.47 -0.24 0.00 0.00 -0.55 -0.99 107.32 103.05 1ibd s GLY 148 Ca -0.05 1.31 -0.11 0.00 0.00 0.00 0.00 44.72 45.86 1ibd s GLY 148 CO -0.03 1.01 0.19 0.14 0.00 0.00 0.00 173.10 174.42 1ibd s VAL 149 N -0.68 5.33 -0.25 1.40 1.01 -1.26 0.92 120.40 126.88 1ibd s VAL 149 Ca -0.08 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1ibd s VAL 149 Cb -0.02 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1ibd s VAL 149 CO 0.06 0.32 1.53 -0.63 0.00 0.00 0.00 175.10 176.38 1ibd s ILE 150 N 1.23 3.81 -2.68 2.22 1.01 0.30 -4.81 121.20 122.29 1ibd s ILE 150 Ca 0.09 0.90 0.27 0.00 0.00 0.00 0.00 60.65 61.91 1ibd s ILE 150 Cb -0.14 -3.84 0.42 0.00 0.01 0.00 0.00 42.46 38.91 1ibd s ILE 150 CO 0.06 -0.37 1.57 0.00 0.00 0.00 0.00 174.94 176.20