#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bx2 s GLU 3 N 0.00 0.44 -0.09 1.97 2.12 -1.26 -5.10 118.70 116.78 1bx2 s GLU 3 Ca 0.00 1.10 -0.00 0.00 0.36 0.00 0.00 54.97 56.43 1bx2 s GLU 3 Cb 0.00 0.65 -0.00 0.00 0.26 0.00 0.00 34.13 35.03 1bx2 s GLU 3 CO 0.00 -0.15 0.01 0.93 -0.54 0.00 0.00 175.26 175.51 1bx2 h GLU 4 N 7.71 -0.01 -4.35 4.30 5.08 -2.10 -3.49 114.58 121.73 1bx2 h GLU 4 Ca -0.17 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.00 1bx2 h GLU 4 Cb 1.11 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 1bx2 h GLU 4 CO 0.09 -0.00 -0.55 -1.01 -1.00 0.00 0.00 179.01 176.54 1bx2 s HIS 5 N -1.53 0.87 -0.10 4.33 3.76 -1.26 -5.08 115.29 116.28 1bx2 s HIS 5 Ca -0.00 -1.18 -0.07 0.00 -0.15 0.00 0.00 55.06 53.66 1bx2 s HIS 5 Cb 0.00 -0.40 0.04 0.00 1.11 0.00 0.00 32.58 33.33 1bx2 s HIS 5 CO 0.00 -0.63 0.26 0.08 -0.85 0.00 0.00 174.74 173.59 1bx2 s VAL 6 N -4.08 -0.02 -0.06 -0.90 1.01 -1.26 -5.03 120.40 110.06 1bx2 s VAL 6 Ca 0.29 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1bx2 s VAL 6 Cb 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 1bx2 s VAL 6 CO 0.06 0.04 -0.18 -0.63 0.00 0.00 0.00 175.10 174.39 1bx2 s ILE 7 N 0.86 2.71 -0.03 2.22 1.01 -1.26 -1.55 121.20 125.15 1bx2 s ILE 7 Ca -0.06 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1bx2 s ILE 7 Cb -0.07 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1bx2 s ILE 7 CO -0.06 0.57 -0.05 -0.63 0.00 0.00 0.00 174.94 174.78 1bx2 s ILE 8 N -0.43 0.55 -0.41 2.92 1.01 0.17 -4.96 121.20 120.05 1bx2 s ILE 8 Ca 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 1bx2 s ILE 8 Cb -0.12 -0.54 0.07 0.00 0.01 0.00 0.00 42.46 41.89 1bx2 s ILE 8 CO 0.02 0.20 0.24 -1.58 0.00 0.00 0.00 174.94 173.82 1bx2 s GLN 9 N 0.56 2.59 0.06 2.79 0.74 -1.26 -0.33 119.66 124.81 1bx2 s GLN 9 Ca -0.07 -1.43 0.06 0.00 0.05 0.00 0.00 55.36 53.96 1bx2 s GLN 9 Cb -0.11 -3.75 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 1bx2 s GLN 9 CO 0.00 -0.92 -0.11 0.00 -0.55 0.00 0.00 175.29 173.71 1bx2 s ALA 10 N 1.42 2.88 0.23 1.58 0.00 -0.63 -4.99 121.76 122.26 1bx2 s ALA 10 Ca 0.03 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 1bx2 s ALA 10 Cb -0.23 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 1bx2 s ALA 10 CO 0.02 0.62 0.47 -1.83 0.00 0.00 0.00 175.76 175.04 1bx2 s GLU 11 N -1.82 1.50 -0.11 0.00 -1.05 -1.26 -1.36 118.70 114.59 1bx2 s GLU 11 Ca 0.19 -1.19 -0.31 0.00 -0.15 0.00 0.00 54.97 53.51 1bx2 s GLU 11 Cb -0.11 0.47 0.12 0.00 -0.44 0.00 0.00 34.13 34.18 1bx2 s GLU 11 CO 0.10 -0.62 1.02 -0.59 0.95 0.00 0.00 175.26 176.12 1bx2 s PHE 12 N -3.99 -0.29 -0.01 4.83 -0.12 -0.73 -4.96 117.98 112.71 1bx2 s PHE 12 Ca 0.20 0.32 0.02 0.00 -0.05 0.00 0.00 56.93 57.42 1bx2 s PHE 12 Cb -0.01 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1bx2 s PHE 12 CO 0.07 -0.38 -0.07 -0.47 -0.05 0.00 0.00 175.22 174.32 1bx2 s TYR 13 N -2.18 0.70 -0.07 3.49 6.14 -1.26 -1.41 117.35 122.75 1bx2 s TYR 13 Ca 0.04 -0.14 0.01 0.00 0.64 0.00 0.00 57.07 57.62 1bx2 s TYR 13 Cb -0.01 -0.47 0.02 0.00 0.42 0.00 0.00 41.96 41.92 1bx2 s TYR 13 CO -0.04 -0.03 -0.09 -1.17 0.64 0.00 0.00 175.55 174.85 1bx2 s LEU 14 N -0.06 1.45 0.10 6.97 2.96 -0.32 -5.00 118.68 124.77 1bx2 s LEU 14 Ca 0.01 -0.26 0.09 0.00 -0.22 0.00 0.00 54.13 53.75 1bx2 s LEU 14 Cb -0.04 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 1bx2 s LEU 14 CO -0.00 -0.03 -0.21 0.20 -1.32 0.00 0.00 176.35 174.99 1bx2 s ASN 15 N 1.01 3.67 0.32 3.68 0.01 -1.26 -0.14 114.94 122.23 1bx2 s ASN 15 Ca -0.09 -0.59 0.12 0.00 -0.71 0.00 0.00 52.86 51.59 1bx2 s ASN 15 Cb -0.15 -0.45 0.54 0.00 0.41 0.00 0.00 41.25 41.61 1bx2 s ASN 15 CO -0.00 0.20 1.72 -0.65 -1.51 0.00 0.00 177.10 176.85 1bx2 h PRO 16 N 3.98 0.00 -1.19 -0.60 0.11 -2.02 -3.46 132.00 128.83 1bx2 h PRO 16 Ca -0.50 0.00 0.34 0.00 0.11 0.00 0.00 66.00 65.96 1bx2 h PRO 16 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1bx2 h PRO 16 CO 0.44 0.49 1.25 -0.44 -0.21 0.00 0.00 178.00 179.53 1bx2 h ASP 17 N 0.00 0.00 -5.73 -2.05 5.19 -2.03 -3.44 116.42 108.36 1bx2 h ASP 17 Ca -0.00 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.00 1bx2 h ASP 17 Cb 0.88 0.00 0.11 0.00 0.18 0.00 0.00 39.33 40.51 1bx2 h ASP 17 CO 0.06 0.00 -0.68 0.00 -3.12 0.00 0.00 179.24 175.51 1bx2 n GLN 18 N -3.37 -7.39 -4.79 3.56 6.02 0.81 -4.99 117.38 107.23 1bx2 n GLN 18 Ca 0.27 0.82 -0.33 0.00 -0.01 0.00 0.00 57.00 57.74 1bx2 n GLN 18 Cb 1.61 -5.84 -0.13 0.00 1.02 0.00 0.00 30.24 26.90 1bx2 n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1bx2 s SER 19 N -3.24 4.12 0.39 1.08 1.04 -0.96 -4.94 113.70 111.19 1bx2 s SER 19 Ca 0.56 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.80 1bx2 s SER 19 Cb -0.25 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 1bx2 s SER 19 CO 0.70 0.27 0.08 -0.83 0.98 0.00 0.00 173.24 174.43 1bx2 s GLY 20 N -0.25 2.47 -0.12 7.32 0.00 -1.26 -1.18 107.32 114.31 1bx2 s GLY 20 Ca 0.02 -1.47 -0.26 0.00 0.00 0.00 0.00 44.72 43.01 1bx2 s GLY 20 CO 0.03 -1.89 0.62 1.85 0.00 0.00 0.00 173.10 173.71 1bx2 s GLU 21 N -3.80 0.90 -0.02 2.90 2.12 -0.50 -4.92 118.70 115.37 1bx2 s GLU 21 Ca 0.26 0.45 -0.00 0.00 0.36 0.00 0.00 54.97 56.04 1bx2 s GLU 21 Cb 0.05 0.43 0.03 0.00 0.26 0.00 0.00 34.13 34.90 1bx2 s GLU 21 CO 0.13 -0.22 0.03 0.12 -0.54 0.00 0.00 175.26 174.78 1bx2 s PHE 22 N -0.62 0.10 0.22 5.30 2.19 -1.26 -1.76 117.98 122.14 1bx2 s PHE 22 Ca -0.07 0.12 -0.22 0.00 0.33 0.00 0.00 56.93 57.08 1bx2 s PHE 22 Cb -0.02 -0.31 0.04 0.00 -1.31 0.00 0.00 43.02 41.42 1bx2 s PHE 22 CO 0.06 -0.11 0.67 0.00 1.83 0.00 0.00 175.22 177.67 1bx2 s MET 23 N 1.21 1.54 -0.01 10.12 0.23 -0.47 -1.52 119.30 130.40 1bx2 s MET 23 Ca -0.07 -0.74 0.07 0.00 -1.03 0.00 0.00 55.69 53.91 1bx2 s MET 23 Cb -0.13 0.59 -0.02 0.00 -1.53 0.00 0.00 34.83 33.74 1bx2 s MET 23 CO -0.03 -0.69 -0.22 -0.06 -2.03 0.00 0.00 175.02 171.99 1bx2 s PHE 24 N -3.82 2.46 -0.05 3.16 0.40 -0.15 -1.60 117.98 118.38 1bx2 s PHE 24 Ca 0.06 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 1bx2 s PHE 24 Cb -0.04 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 41.99 1bx2 s PHE 24 CO -0.02 0.08 -0.11 0.34 0.70 0.00 0.00 175.22 176.21 1bx2 s ASP 25 N -0.84 1.59 -0.22 1.36 -1.08 0.55 -0.38 116.67 117.65 1bx2 s ASP 25 Ca 0.11 -0.26 0.02 0.00 -0.52 0.00 0.00 52.55 51.90 1bx2 s ASP 25 Cb -0.10 -0.64 0.04 0.00 -1.46 0.00 0.00 42.92 40.75 1bx2 s ASP 25 CO 0.01 0.04 -0.16 0.12 0.52 0.00 0.00 175.17 175.70 1bx2 s PHE 26 N 0.52 3.00 -1.64 -5.34 5.36 0.99 -0.66 117.98 120.22 1bx2 s PHE 26 Ca -0.11 -1.95 -0.18 0.00 -0.96 0.00 0.00 56.93 53.74 1bx2 s PHE 26 Cb -0.14 -1.93 0.15 0.00 -0.34 0.00 0.00 43.02 40.77 1bx2 s PHE 26 CO 0.02 -0.84 0.76 -0.25 -1.46 0.00 0.00 175.22 173.45 1bx2 n ASP 27 N 4.54 -3.39 0.00 6.13 8.00 -0.60 -1.00 116.55 130.24 1bx2 n ASP 27 Ca -0.18 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1bx2 n ASP 27 Cb 0.46 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.79 1bx2 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bx2 n GLY 28 N -1.35 3.14 3.88 0.44 0.00 -1.26 -5.05 105.19 104.99 1bx2 n GLY 28 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1bx2 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bx2 s ASP 29 N 0.40 6.56 -0.04 1.61 1.01 -0.17 -5.00 116.67 121.04 1bx2 s ASP 29 Ca 0.00 0.67 -0.30 0.00 0.71 0.00 0.00 52.55 53.63 1bx2 s ASP 29 Cb 0.00 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 1bx2 s ASP 29 CO 0.00 0.14 1.02 -0.70 0.21 0.00 0.00 175.17 175.84 1bx2 s GLU 30 N -2.15 4.49 -0.11 8.23 2.12 -1.26 -0.00 118.70 130.01 1bx2 s GLU 30 Ca 0.35 1.44 -0.21 0.00 0.36 0.00 0.00 54.97 56.91 1bx2 s GLU 30 Cb -0.13 -3.49 -0.27 0.00 0.26 0.00 0.00 34.13 30.50 1bx2 s GLU 30 CO 0.20 -0.19 0.63 0.82 -0.54 0.00 0.00 175.26 176.17 1bx2 h ILE 31 N 4.92 1.27 -2.14 -3.70 2.04 -1.07 -3.41 117.51 115.43 1bx2 h ILE 31 Ca -0.37 -2.39 0.20 0.00 1.00 0.00 0.00 64.86 63.30 1bx2 h ILE 31 Cb 1.19 2.89 -0.10 0.00 -0.74 0.00 0.00 36.82 40.05 1bx2 h ILE 31 CO 0.80 0.63 0.56 0.72 0.00 0.00 0.00 178.15 180.86 1bx2 s PHE 32 N -2.40 -0.15 0.03 1.37 -0.71 -1.22 -1.65 117.98 113.26 1bx2 s PHE 32 Ca -0.20 -0.09 -0.14 0.00 -1.04 0.00 0.00 56.93 55.46 1bx2 s PHE 32 Cb 0.02 0.60 0.02 0.00 -1.21 0.00 0.00 43.02 42.46 1bx2 s PHE 32 CO 0.74 -0.66 0.32 -3.38 -1.34 0.00 0.00 175.22 170.89 1bx2 s HIS 33 N -3.07 -0.13 -0.21 3.49 -3.43 -0.87 -0.97 115.29 110.10 1bx2 s HIS 33 Ca 0.11 0.04 -0.14 0.00 -0.80 0.00 0.00 55.06 54.27 1bx2 s HIS 33 Cb -0.00 0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 1bx2 s HIS 33 CO -0.01 -0.49 0.30 0.08 -2.00 0.00 0.00 174.74 172.62 1bx2 s VAL 34 N -2.36 5.27 -0.52 -5.38 1.01 -0.58 -0.12 120.40 117.72 1bx2 s VAL 34 Ca -0.06 0.50 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 1bx2 s VAL 34 Cb -0.01 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1bx2 s VAL 34 CO -0.02 0.30 1.73 -0.62 0.00 0.00 0.00 175.10 176.49 1bx2 s ASP 35 N 0.98 5.67 0.48 3.32 -1.08 -0.11 -4.57 116.67 121.36 1bx2 s ASP 35 Ca 0.15 0.61 0.17 0.00 -0.52 0.00 0.00 52.55 52.96 1bx2 s ASP 35 Cb -0.14 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 39.98 1bx2 s ASP 35 CO 0.06 -2.01 2.03 0.00 0.52 0.00 0.00 175.17 175.77 1bx2 h MET 36 N 13.36 0.19 0.15 4.34 3.00 -1.91 0.13 114.93 134.19 1bx2 h MET 36 Ca -0.28 -0.01 -0.35 0.00 0.00 0.00 0.00 59.70 59.06 1bx2 h MET 36 Cb 1.15 -0.04 -0.01 0.00 0.00 0.00 0.00 31.60 32.70 1bx2 h MET 36 CO 1.15 0.12 -1.84 0.00 0.00 0.00 0.00 176.91 176.35 1bx2 h ALA 37 N 1.79 0.30 -0.06 -3.00 0.00 -1.97 -3.36 119.26 112.96 1bx2 h ALA 37 Ca 0.19 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1bx2 h ALA 37 Cb 0.51 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bx2 h ALA 37 CO -0.03 1.14 0.00 0.36 0.00 0.00 0.00 179.25 180.72 1bx2 n LYS 38 N -3.59 1.89 -3.79 0.00 0.00 -1.18 -4.97 118.16 106.51 1bx2 n LYS 38 Ca -0.29 -1.30 -0.36 0.00 -0.00 0.00 0.00 58.31 56.37 1bx2 n LYS 38 Cb 1.04 -1.47 0.04 0.00 -0.00 0.00 0.00 35.03 34.64 1bx2 n LYS 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1bx2 n LYS 39 N 0.56 -0.93 -3.71 -1.58 5.02 0.45 -5.00 118.16 112.98 1bx2 n LYS 39 Ca 0.17 0.36 -0.13 0.00 -2.02 0.00 0.00 58.31 56.70 1bx2 n LYS 39 Cb 0.43 -3.63 -0.10 0.00 -0.02 0.00 0.00 35.03 31.71 1bx2 n LYS 39 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1bx2 s GLU 40 N -6.36 0.53 0.32 1.97 2.12 -1.17 -4.90 118.70 111.20 1bx2 s GLU 40 Ca 0.47 0.71 -0.29 0.00 0.36 0.00 0.00 54.97 56.22 1bx2 s GLU 40 Cb -0.20 0.21 -0.10 0.00 0.26 0.00 0.00 34.13 34.31 1bx2 s GLU 40 CO 0.89 -0.09 1.20 0.95 -0.54 0.00 0.00 175.26 177.67 1bx2 s THR 41 N 0.52 3.11 -0.19 -1.70 -4.23 -1.26 -0.94 115.64 110.95 1bx2 s THR 41 Ca -0.02 1.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1bx2 s THR 41 Cb -0.04 -3.69 0.04 0.00 1.34 0.00 0.00 72.50 70.15 1bx2 s THR 41 CO -0.03 0.25 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.52 1bx2 s VAL 42 N -1.18 1.51 0.16 2.29 1.01 0.82 -4.89 120.40 120.11 1bx2 s VAL 42 Ca 0.48 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1bx2 s VAL 42 Cb -0.35 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 1bx2 s VAL 42 CO 0.46 0.16 1.09 0.26 0.00 0.00 0.00 175.10 177.07 1bx2 s TRP 43 N 1.46 3.61 0.16 5.22 0.52 -1.26 -2.04 118.94 126.60 1bx2 s TRP 43 Ca -0.01 1.60 -0.16 0.00 0.02 0.00 0.00 56.10 57.55 1bx2 s TRP 43 Cb -0.16 -3.26 0.08 0.00 -1.15 0.00 0.00 33.47 28.98 1bx2 s TRP 43 CO -0.08 -0.55 1.73 -0.09 0.02 0.00 0.00 176.95 177.98 1bx2 h ARG 44 N 5.32 0.20 -5.45 4.98 9.65 -1.54 -3.40 114.38 124.15 1bx2 h ARG 44 Ca -0.44 -0.01 -0.67 0.00 -1.10 0.00 0.00 59.98 57.75 1bx2 h ARG 44 Cb 1.21 -0.05 -0.31 0.00 -1.39 0.00 0.00 29.97 29.44 1bx2 h ARG 44 CO 0.73 0.13 -0.84 -0.51 2.80 0.00 0.00 179.97 182.28 1bx2 s LEU 45 N -10.38 2.29 0.17 3.80 1.43 -1.26 -5.04 118.68 109.69 1bx2 s LEU 45 Ca -0.13 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.23 1bx2 s LEU 45 Cb 0.13 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1bx2 s LEU 45 CO 0.71 0.18 1.49 -1.84 0.23 0.00 0.00 176.35 177.12 1bx2 n GLU 46 N 3.41 -0.37 -0.33 1.70 -0.00 -1.26 -1.24 120.64 122.55 1bx2 n GLU 46 Ca -0.18 1.46 0.27 0.00 -0.00 0.00 0.00 57.16 58.71 1bx2 n GLU 46 Cb 0.53 -2.16 0.51 0.00 -0.00 0.00 0.00 31.44 30.32 1bx2 n GLU 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1bx2 h GLU 47 N 0.00 0.09 -0.70 3.44 3.07 -1.96 -0.14 114.58 118.39 1bx2 h GLU 47 Ca 0.20 -0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.21 1bx2 h GLU 47 Cb 0.44 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 28.22 1bx2 h GLU 47 CO -0.92 0.06 0.04 0.74 -1.40 0.00 0.00 179.01 177.53 1bx2 h PHE 48 N 0.09 0.02 -0.75 4.33 -1.00 -1.58 -0.76 116.94 117.29 1bx2 h PHE 48 Ca 0.78 0.05 0.20 0.00 2.81 0.00 0.00 57.97 61.81 1bx2 h PHE 48 Cb 1.93 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 41.56 1bx2 h PHE 48 CO -0.08 -0.18 0.53 0.78 -1.61 0.00 0.00 178.31 177.75 1bx2 h GLY 49 N 0.14 0.19 -0.55 -1.45 0.00 -1.15 0.56 103.07 100.81 1bx2 h GLY 49 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1bx2 h GLY 49 CO -0.58 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.50 1bx2 n ARG 50 N -4.36 1.14 0.00 4.80 1.74 -0.29 -3.73 116.66 115.96 1bx2 n ARG 50 Ca 0.15 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1bx2 n ARG 50 Cb 0.75 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 1bx2 n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1bx2 n PHE 51 N -0.21 0.00 -4.17 -1.55 3.01 0.18 -5.11 117.46 109.60 1bx2 n PHE 51 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.36 1bx2 n PHE 51 Cb 0.14 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.57 1bx2 n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bx2 n ALA 52 N -1.87 0.42 -3.09 4.37 0.00 -1.14 -5.16 120.51 114.04 1bx2 n ALA 52 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 53.44 52.17 1bx2 n ALA 52 Cb 0.36 0.92 -0.05 0.00 0.00 0.00 0.00 19.45 20.68 1bx2 n ALA 52 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bx2 s SER 53 N -2.37 -0.27 -0.14 0.00 1.04 -1.26 -4.69 113.70 106.00 1bx2 s SER 53 Ca 0.23 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.42 1bx2 s SER 53 Cb 0.01 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1bx2 s SER 53 CO 0.16 -0.76 0.35 0.12 0.98 0.00 0.00 173.24 174.09 1bx2 s PHE 54 N -3.14 -0.46 -0.76 5.02 5.36 -1.26 -5.11 117.98 117.63 1bx2 s PHE 54 Ca -0.01 1.04 -0.25 0.00 -0.96 0.00 0.00 56.93 56.75 1bx2 s PHE 54 Cb 0.01 0.17 0.05 0.00 -0.34 0.00 0.00 43.02 42.90 1bx2 s PHE 54 CO -0.07 -0.26 1.20 -2.00 -1.46 0.00 0.00 175.22 172.63 1bx2 s GLU 55 N 0.93 3.24 0.60 10.12 2.12 -1.26 -4.76 118.70 129.69 1bx2 s GLU 55 Ca -0.06 -0.61 0.32 0.00 0.36 0.00 0.00 54.97 54.98 1bx2 s GLU 55 Cb -0.07 -4.39 1.12 0.00 0.26 0.00 0.00 34.13 31.05 1bx2 s GLU 55 CO -0.07 -2.04 1.38 0.00 -0.54 0.00 0.00 175.26 173.98 1bx2 h ALA 56 N 9.80 3.18 -0.66 6.30 0.00 -1.95 -0.99 119.26 134.94 1bx2 h ALA 56 Ca -0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1bx2 h ALA 56 Cb 1.05 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1bx2 h ALA 56 CO 1.26 -1.90 0.27 0.37 0.00 0.00 0.00 179.25 179.25 1bx2 h GLN 57 N 0.00 0.99 -0.80 0.00 5.75 -1.90 -2.83 115.11 116.31 1bx2 h GLN 57 Ca 0.59 -0.17 0.14 0.00 -0.15 0.00 0.00 58.65 59.06 1bx2 h GLN 57 Cb 3.10 -0.16 -0.09 0.00 1.07 0.00 0.00 27.48 31.40 1bx2 h GLN 57 CO -0.01 0.82 0.37 0.78 -2.65 0.00 0.00 178.83 178.14 1bx2 h GLY 58 N 0.93 1.25 0.98 2.39 0.00 -1.60 -1.90 103.07 105.12 1bx2 h GLY 58 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1bx2 h GLY 58 CO -0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 176.54 176.36 1bx2 h ALA 59 N 1.55 -0.26 -0.23 3.60 0.00 -1.67 -0.95 119.26 121.30 1bx2 h ALA 59 Ca 0.43 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.33 1bx2 h ALA 59 Cb 0.63 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1bx2 h ALA 59 CO -0.38 -0.63 0.16 -0.07 0.00 0.00 0.00 179.25 178.33 1bx2 h LEU 60 N -0.29 0.05 0.02 0.00 3.38 -1.30 -0.92 115.31 116.24 1bx2 h LEU 60 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1bx2 h LEU 60 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1bx2 h LEU 60 CO 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 178.44 178.60 1bx2 h ALA 61 N 1.88 -0.02 -0.41 1.53 0.00 -1.01 -2.78 119.26 118.45 1bx2 h ALA 61 Ca 0.10 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1bx2 h ALA 61 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1bx2 h ALA 61 CO -0.01 -0.18 0.28 -0.91 0.00 0.00 0.00 179.25 178.43 1bx2 h ASN 62 N -0.69 0.23 -0.24 0.00 4.21 -0.66 -1.73 115.58 116.71 1bx2 h ASN 62 Ca -0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 1bx2 h ASN 62 Cb 0.65 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1bx2 h ASN 62 CO 0.00 0.15 -0.29 0.40 -1.29 0.00 0.00 177.43 176.41 1bx2 h ILE 63 N 0.27 1.32 -0.42 2.81 1.08 -1.19 -2.37 117.51 118.99 1bx2 h ILE 63 Ca 0.18 -1.47 0.08 0.00 -0.39 0.00 0.00 64.86 63.26 1bx2 h ILE 63 Cb 0.38 1.71 -0.07 0.00 -3.07 0.00 0.00 36.82 35.76 1bx2 h ILE 63 CO -0.04 0.46 -0.04 0.00 -0.69 0.00 0.00 178.15 177.84 1bx2 h ALA 64 N 0.66 0.35 -0.61 1.87 0.00 -1.03 0.13 119.26 120.63 1bx2 h ALA 64 Ca 0.03 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1bx2 h ALA 64 Cb 0.86 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1bx2 h ALA 64 CO 0.07 -0.42 0.40 0.28 0.00 0.00 0.00 179.25 179.58 1bx2 h VAL 65 N 0.06 1.07 -0.41 0.00 2.07 -1.34 -1.99 116.25 115.72 1bx2 h VAL 65 Ca 0.21 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1bx2 h VAL 65 Cb 0.31 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1bx2 h VAL 65 CO -0.38 0.13 0.10 0.44 0.02 0.00 0.00 177.57 177.88 1bx2 h ASP 66 N 0.69 0.62 -0.73 0.57 3.32 -0.28 -1.03 116.42 119.58 1bx2 h ASP 66 Ca 0.25 -0.23 0.08 0.00 0.02 0.00 0.00 57.03 57.14 1bx2 h ASP 66 Cb 0.11 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 1bx2 h ASP 66 CO -0.07 0.69 0.40 0.50 -1.72 0.00 0.00 179.24 179.04 1bx2 h LYS 67 N 0.52 0.69 -0.02 3.56 3.64 -0.38 -0.35 116.57 124.23 1bx2 h LYS 67 Ca 0.13 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1bx2 h LYS 67 Cb 0.31 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1bx2 h LYS 67 CO 0.00 0.46 0.00 0.00 -2.27 0.00 0.00 179.45 177.64 1bx2 h ALA 68 N 1.40 0.03 0.00 5.00 0.00 -1.14 -2.82 119.26 121.73 1bx2 h ALA 68 Ca 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1bx2 h ALA 68 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bx2 h ALA 68 CO -0.22 -0.32 -0.12 -0.91 0.00 0.00 0.00 179.25 177.68 1bx2 h ASN 69 N -0.25 0.00 -0.10 0.00 2.35 -0.81 -2.13 115.58 114.64 1bx2 h ASN 69 Ca 0.01 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1bx2 h ASN 69 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1bx2 h ASN 69 CO 0.00 0.12 -0.65 0.25 -1.65 0.00 0.00 177.43 175.50 1bx2 h LEU 70 N 0.00 0.82 -1.66 1.61 5.85 -0.99 -0.38 115.31 120.56 1bx2 h LEU 70 Ca -0.00 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 1bx2 h LEU 70 Cb 0.23 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1bx2 h LEU 70 CO 0.02 1.26 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.94 1bx2 h GLU 71 N 0.52 0.00 0.03 1.25 5.08 -1.14 0.89 114.58 121.21 1bx2 h GLU 71 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1bx2 h GLU 71 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1bx2 h GLU 71 CO 0.13 0.10 -0.76 0.82 -1.00 0.00 0.00 179.01 178.30 1bx2 h ILE 72 N 0.00 1.32 -0.29 3.13 2.04 -1.22 -3.20 117.51 119.30 1bx2 h ILE 72 Ca -0.00 -2.31 -0.04 0.00 1.00 0.00 0.00 64.86 63.51 1bx2 h ILE 72 Cb 0.47 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 1bx2 h ILE 72 CO 0.01 0.53 0.02 0.24 0.00 0.00 0.00 178.15 178.94 1bx2 h MET 73 N -0.84 0.43 0.71 2.37 2.86 -0.96 0.15 114.93 119.65 1bx2 h MET 73 Ca -0.19 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1bx2 h MET 73 Cb 1.29 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.88 1bx2 h MET 73 CO -0.06 0.44 -0.34 1.15 1.06 0.00 0.00 176.91 179.17 1bx2 h THR 74 N 0.42 0.00 -0.58 2.22 2.02 -0.95 0.41 112.91 116.44 1bx2 h THR 74 Ca 0.09 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1bx2 h THR 74 Cb 0.25 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.60 1bx2 h THR 74 CO 0.00 0.00 0.26 0.07 0.37 0.00 0.00 175.52 176.22 1bx2 h LYS 75 N -0.98 0.46 0.00 6.66 2.10 -1.51 0.62 116.57 123.92 1bx2 h LYS 75 Ca -0.10 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.49 1bx2 h LYS 75 Cb 0.73 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1bx2 h LYS 75 CO 0.16 0.30 -0.15 -0.09 -2.00 0.00 0.00 179.45 177.68 1bx2 h ARG 76 N 0.47 0.00 0.00 0.07 2.43 -0.60 -0.33 114.38 116.43 1bx2 h ARG 76 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1bx2 h ARG 76 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1bx2 h ARG 76 CO -0.24 0.15 0.00 -1.13 -1.51 0.00 0.00 179.97 177.24 1bx2 n SER 77 N -4.24 0.15 0.00 -3.80 3.41 0.14 -4.86 113.62 104.41 1bx2 n SER 77 Ca -0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1bx2 n SER 77 Cb 0.22 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1bx2 n SER 77 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1bx2 n ASN 78 N -1.65 -2.71 -0.26 4.04 2.04 -0.13 -3.83 115.26 112.75 1bx2 n ASN 78 Ca 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 54.18 1bx2 n ASN 78 Cb 0.30 -0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.10 1bx2 n ASN 78 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1bx2 n TYR 79 N -2.90 -0.08 -2.75 -2.53 4.01 -0.78 -5.01 117.16 107.11 1bx2 n TYR 79 Ca 0.00 0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1bx2 n TYR 79 Cb 0.00 -1.18 -0.03 0.00 -0.31 0.00 0.00 39.34 37.82 1bx2 n TYR 79 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1bx2 s THR 80 N -2.29 4.81 0.78 -0.72 -4.23 -1.25 -5.04 115.64 107.70 1bx2 s THR 80 Ca 0.01 1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 62.35 1bx2 s THR 80 Cb -0.00 -4.25 0.12 0.00 1.34 0.00 0.00 72.50 69.70 1bx2 s THR 80 CO 0.01 -0.01 1.10 -2.16 -0.54 0.00 0.00 174.62 173.02 1bx2 s PRO 81 N 2.18 1.59 0.40 3.99 0.04 -1.26 -5.04 135.00 136.90 1bx2 s PRO 81 Ca 0.44 -0.56 -0.22 0.00 0.04 0.00 0.00 61.00 60.71 1bx2 s PRO 81 Cb -0.17 -2.12 -0.11 0.00 0.04 0.00 0.00 34.50 32.14 1bx2 s PRO 81 CO 0.15 -1.64 0.94 -1.50 0.04 0.00 0.00 177.00 174.99 1bx2 s ILE 82 N -3.40 4.37 -0.27 0.56 2.07 -1.26 -5.03 121.20 118.23 1bx2 s ILE 82 Ca 0.66 1.53 -0.12 0.00 -1.41 0.00 0.00 60.65 61.31 1bx2 s ILE 82 Cb -0.07 -3.68 -0.05 0.00 0.13 0.00 0.00 42.46 38.79 1bx2 s ILE 82 CO 0.47 -0.23 0.23 0.42 -1.91 0.00 0.00 174.94 173.93 1bx2 s THR 83 N -2.06 5.28 0.32 4.00 -4.23 -1.26 -5.03 115.64 112.65 1bx2 s THR 83 Ca 0.59 0.27 -0.28 0.00 -1.18 0.00 0.00 61.69 61.09 1bx2 s THR 83 Cb -0.11 -3.57 -0.13 0.00 1.34 0.00 0.00 72.50 70.03 1bx2 s THR 83 CO 0.15 0.23 1.21 0.59 -0.54 0.00 0.00 174.62 176.26 1bx2 n ASN 84 N 5.08 2.31 -3.92 3.99 3.02 -1.26 -4.79 115.26 119.68 1bx2 n ASN 84 Ca -0.13 1.20 -0.28 0.00 -0.03 0.00 0.00 54.58 55.34 1bx2 n ASN 84 Cb 0.52 -1.42 -0.17 0.00 -0.61 0.00 0.00 39.78 38.10 1bx2 n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bx2 s VAL 85 N -1.05 1.15 0.37 2.41 1.01 0.11 -4.83 120.40 119.57 1bx2 s VAL 85 Ca 0.57 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1bx2 s VAL 85 Cb -0.61 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 1bx2 s VAL 85 CO 0.61 0.28 1.11 -2.16 0.00 0.00 0.00 175.10 174.94 1bx2 s PRO 86 N 1.64 4.25 1.15 2.72 0.04 -1.26 -1.87 135.00 141.67 1bx2 s PRO 86 Ca 0.03 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1bx2 s PRO 86 Cb -0.14 -2.77 0.27 0.00 0.04 0.00 0.00 34.50 31.90 1bx2 s PRO 86 CO -0.08 -0.11 1.05 -1.25 0.04 0.00 0.00 177.00 176.65 1bx2 s PRO 87 N -2.13 -0.81 -0.58 0.56 0.04 -1.26 -4.60 135.00 126.21 1bx2 s PRO 87 Ca 0.54 0.44 0.04 0.00 0.04 0.00 0.00 61.00 62.06 1bx2 s PRO 87 Cb -0.28 -1.60 0.16 0.00 0.04 0.00 0.00 34.50 32.82 1bx2 s PRO 87 CO 0.35 -3.55 0.40 -1.21 0.04 0.00 0.00 177.00 173.04 1bx2 s GLU 88 N -4.90 1.86 0.45 4.56 2.02 0.62 -4.91 118.70 118.40 1bx2 s GLU 88 Ca 0.68 -2.79 -0.22 0.00 0.02 0.00 0.00 54.97 52.66 1bx2 s GLU 88 Cb -0.18 -2.75 -0.08 0.00 0.10 0.00 0.00 34.13 31.22 1bx2 s GLU 88 CO 0.60 -1.28 1.09 0.08 0.02 0.00 0.00 175.26 175.76 1bx2 s VAL 89 N -0.72 3.50 -0.26 2.63 1.01 -1.25 -2.72 120.40 122.59 1bx2 s VAL 89 Ca 0.25 1.08 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 1bx2 s VAL 89 Cb -0.07 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.86 1bx2 s VAL 89 CO -0.14 -0.06 0.67 0.28 0.00 0.00 0.00 175.10 175.85 1bx2 s THR 90 N -1.70 -0.00 -0.08 3.92 -1.32 -0.65 -4.99 115.64 110.82 1bx2 s THR 90 Ca 0.63 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 1bx2 s THR 90 Cb -0.23 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.79 1bx2 s THR 90 CO 0.28 0.00 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.93 1bx2 s VAL 91 N 0.94 3.70 0.34 5.08 1.01 -1.26 -0.34 120.40 129.86 1bx2 s VAL 91 Ca -0.05 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1bx2 s VAL 91 Cb -0.05 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1bx2 s VAL 91 CO -0.08 0.59 0.27 -0.76 0.00 0.00 0.00 175.10 175.12 1bx2 s LEU 92 N -0.69 1.78 0.05 3.92 1.02 0.29 -4.99 118.68 120.05 1bx2 s LEU 92 Ca 0.11 -1.76 0.09 0.00 0.02 0.00 0.00 54.13 52.58 1bx2 s LEU 92 Cb -0.11 0.52 -0.03 0.00 0.02 0.00 0.00 46.19 46.59 1bx2 s LEU 92 CO 0.02 -1.06 -0.25 0.28 0.02 0.00 0.00 176.35 175.35 1bx2 s THR 93 N -3.42 2.05 0.03 5.49 -1.32 -1.26 -0.45 115.64 116.76 1bx2 s THR 93 Ca 0.40 -1.37 -0.15 0.00 -1.21 0.00 0.00 61.69 59.36 1bx2 s THR 93 Cb 0.02 -1.76 -0.08 0.00 -1.51 0.00 0.00 72.50 69.17 1bx2 s THR 93 CO 0.27 0.32 1.22 -1.13 -2.21 0.00 0.00 174.62 173.09 1bx2 h ASN 94 N 4.77 -0.47 -0.97 8.08 -1.24 -0.99 -3.46 115.58 121.29 1bx2 h ASN 94 Ca -0.46 0.02 -0.64 0.00 0.71 0.00 0.00 56.30 55.93 1bx2 h ASN 94 Cb 1.15 0.13 -0.12 0.00 0.73 0.00 0.00 38.32 40.21 1bx2 h ASN 94 CO 0.43 -0.31 -0.52 -0.94 -1.29 0.00 0.00 177.43 174.80 1bx2 s SER 95 N -2.83 4.13 0.55 1.15 1.04 -1.26 -5.06 113.70 111.41 1bx2 s SER 95 Ca -0.08 -1.45 -0.22 0.00 0.48 0.00 0.00 55.95 54.69 1bx2 s SER 95 Cb 0.01 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 1bx2 s SER 95 CO 0.23 -0.70 1.37 -2.84 0.98 0.00 0.00 173.24 172.28 1bx2 s PRO 96 N -3.86 3.10 0.07 4.02 0.02 -1.26 -4.95 135.00 132.14 1bx2 s PRO 96 Ca 0.22 2.26 -0.23 0.00 0.02 0.00 0.00 61.00 63.28 1bx2 s PRO 96 Cb 0.04 -2.24 -0.06 0.00 0.02 0.00 0.00 34.50 32.26 1bx2 s PRO 96 CO 0.12 -1.23 0.69 0.08 -0.33 0.00 0.00 177.00 176.32 1bx2 s VAL 97 N -1.29 4.67 -0.10 3.83 1.01 -1.26 -5.06 120.40 122.20 1bx2 s VAL 97 Ca 0.72 1.48 -0.05 0.00 0.00 0.00 0.00 61.98 64.13 1bx2 s VAL 97 Cb -0.41 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 31.98 1bx2 s VAL 97 CO 0.49 0.46 0.23 -1.61 0.00 0.00 0.00 175.10 174.67 1bx2 s GLU 98 N -0.63 0.19 0.01 2.72 2.02 -1.26 -5.12 118.70 116.63 1bx2 s GLU 98 Ca 0.34 0.52 -0.38 0.00 0.02 0.00 0.00 54.97 55.47 1bx2 s GLU 98 Cb -0.21 -0.13 -0.17 0.00 0.10 0.00 0.00 34.13 33.73 1bx2 s GLU 98 CO 0.22 -0.17 1.41 1.28 0.02 0.00 0.00 175.26 178.02 1bx2 n LEU 99 N 4.27 1.73 -0.66 1.80 4.77 -1.26 -2.07 117.00 125.58 1bx2 n LEU 99 Ca -0.25 1.11 -0.09 0.00 -0.03 0.00 0.00 56.01 56.76 1bx2 n LEU 99 Cb 0.53 -1.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1bx2 n LEU 99 CO 0.14 -0.96 -0.08 0.54 -1.33 0.00 0.00 177.39 175.70 1bx2 n ARG 100 N 3.04 -0.82 -4.11 3.23 1.74 -1.20 -5.02 116.66 113.52 1bx2 n ARG 100 Ca 0.20 0.75 -0.33 0.00 -0.77 0.00 0.00 57.85 57.71 1bx2 n ARG 100 Cb 0.17 -4.68 -0.16 0.00 -1.02 0.00 0.00 32.46 26.78 1bx2 n ARG 100 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1bx2 s GLU 101 N -2.53 2.94 0.78 5.56 1.03 -0.88 -4.99 118.70 120.61 1bx2 s GLU 101 Ca 0.00 -0.83 -0.17 0.00 0.03 0.00 0.00 54.97 54.00 1bx2 s GLU 101 Cb 0.00 -2.56 -0.11 0.00 -0.80 0.00 0.00 34.13 30.66 1bx2 s GLU 101 CO 0.00 -0.22 -0.23 -2.30 -1.33 0.00 0.00 175.26 171.18 1bx2 n PRO 102 N 4.62 0.04 -1.87 -4.83 -0.02 -1.26 -4.34 135.00 127.33 1bx2 n PRO 102 Ca -0.21 0.03 -0.03 0.00 -2.02 0.00 0.00 63.50 61.27 1bx2 n PRO 102 Cb 0.50 -1.23 0.01 0.00 -0.02 0.00 0.00 33.50 32.75 1bx2 n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1bx2 n ASN 103 N 2.05 -0.64 -3.73 2.55 2.85 -0.48 -4.94 115.26 112.93 1bx2 n ASN 103 Ca 0.04 -1.48 -0.12 0.00 -0.11 0.00 0.00 54.58 52.92 1bx2 n ASN 103 Cb 0.52 1.07 -0.12 0.00 1.24 0.00 0.00 39.78 42.49 1bx2 n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1bx2 s VAL 104 N -2.71 -0.02 -0.07 3.44 1.01 -1.26 -1.71 120.40 119.07 1bx2 s VAL 104 Ca 0.05 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1bx2 s VAL 104 Cb -0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1bx2 s VAL 104 CO 0.04 0.03 0.31 -0.76 0.00 0.00 0.00 175.10 174.73 1bx2 s LEU 105 N 0.95 4.39 -0.07 3.92 1.43 -0.43 -0.26 118.68 128.61 1bx2 s LEU 105 Ca -0.06 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1bx2 s LEU 105 Cb -0.07 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 1bx2 s LEU 105 CO -0.07 0.29 -0.15 -0.63 0.23 0.00 0.00 176.35 176.02 1bx2 s ILE 106 N -0.66 3.02 -0.36 -0.59 1.01 0.41 -1.24 121.20 122.78 1bx2 s ILE 106 Ca 0.20 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1bx2 s ILE 106 Cb -0.15 -2.19 0.10 0.00 0.01 0.00 0.00 42.46 40.23 1bx2 s ILE 106 CO 0.09 0.58 0.09 0.00 0.00 0.00 0.00 174.94 175.69 1bx2 s PHE 108 N 0.99 2.82 -0.43 0.00 0.40 0.53 -2.67 117.98 119.63 1bx2 s PHE 108 Ca 0.09 0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 56.90 1bx2 s PHE 108 Cb -0.20 -4.35 0.06 0.00 0.51 0.00 0.00 43.02 39.05 1bx2 s PHE 108 CO -0.07 -1.26 0.31 0.42 0.70 0.00 0.00 175.22 175.32 1bx2 s ILE 109 N 4.34 4.76 0.28 0.64 1.01 -0.70 -1.64 121.20 129.90 1bx2 s ILE 109 Ca 0.45 -1.13 0.10 0.00 0.00 0.00 0.00 60.65 60.07 1bx2 s ILE 109 Cb -0.08 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1bx2 s ILE 109 CO 0.30 -0.48 -0.07 -0.62 0.00 0.00 0.00 174.94 174.06 1bx2 s ASP 110 N 2.20 4.14 -0.92 3.58 2.15 -1.10 -1.85 116.67 124.87 1bx2 s ASP 110 Ca 0.03 -0.84 -0.13 0.00 0.43 0.00 0.00 52.55 52.04 1bx2 s ASP 110 Cb -0.23 -0.60 0.02 0.00 -0.30 0.00 0.00 42.92 41.82 1bx2 s ASP 110 CO 0.05 -0.02 0.59 0.29 -0.17 0.00 0.00 175.17 175.91 1bx2 n LYS 111 N -0.80 -0.98 -4.23 4.34 5.02 -0.90 -0.28 118.16 120.33 1bx2 n LYS 111 Ca -0.06 0.43 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1bx2 n LYS 111 Cb 0.60 -2.13 -0.10 0.00 -0.02 0.00 0.00 35.03 33.38 1bx2 n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1bx2 s PHE 112 N -3.20 1.17 -0.23 2.13 -0.71 -1.13 -4.38 117.98 111.64 1bx2 s PHE 112 Ca 0.18 -1.11 -0.28 0.00 -1.04 0.00 0.00 56.93 54.68 1bx2 s PHE 112 Cb -0.10 -0.66 0.14 0.00 -1.21 0.00 0.00 43.02 41.19 1bx2 s PHE 112 CO 0.87 -0.33 1.12 -0.08 -1.34 0.00 0.00 175.22 175.46 1bx2 s THR 113 N -3.79 0.00 0.88 -4.49 -1.32 -0.78 -0.84 115.64 105.30 1bx2 s THR 113 Ca 0.27 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.63 1bx2 s THR 113 Cb 0.07 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.18 1bx2 s THR 113 CO 0.05 0.00 1.10 -2.16 -2.21 0.00 0.00 174.62 171.40 1bx2 s PRO 114 N -0.60 1.39 -0.39 7.08 0.04 -1.26 0.05 135.00 141.31 1bx2 s PRO 114 Ca 0.02 0.64 -0.03 0.00 0.04 0.00 0.00 61.00 61.67 1bx2 s PRO 114 Cb -0.02 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1bx2 s PRO 114 CO -0.04 -2.11 1.58 -0.35 0.04 0.00 0.00 177.00 176.13 1bx2 n PRO 115 N -3.76 1.03 -3.81 0.56 -0.04 -1.26 -4.76 135.00 122.95 1bx2 n PRO 115 Ca 0.07 -0.86 -0.17 0.00 -0.04 0.00 0.00 63.50 62.50 1bx2 n PRO 115 Cb 0.56 -2.11 -0.16 0.00 -0.04 0.00 0.00 33.50 31.75 1bx2 n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bx2 s VAL 116 N 3.70 0.04 -0.17 0.52 1.01 -1.26 -5.06 120.40 119.18 1bx2 s VAL 116 Ca 0.22 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.13 1bx2 s VAL 116 Cb 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.34 1bx2 s VAL 116 CO -0.01 0.13 0.67 0.54 0.00 0.00 0.00 175.10 176.43 1bx2 s VAL 117 N 1.24 0.00 -0.17 2.92 0.11 -1.26 -4.71 120.40 118.53 1bx2 s VAL 117 Ca -0.07 -0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1bx2 s VAL 117 Cb -0.13 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1bx2 s VAL 117 CO -0.03 -0.01 -0.11 0.20 -3.33 0.00 0.00 175.10 171.83 1bx2 s ASN 118 N -0.28 4.01 -0.04 3.54 0.01 -0.62 -4.98 114.94 116.58 1bx2 s ASN 118 Ca -0.05 -0.39 0.05 0.00 -0.71 0.00 0.00 52.86 51.76 1bx2 s ASN 118 Cb -0.03 -1.64 -0.00 0.00 0.41 0.00 0.00 41.25 39.99 1bx2 s ASN 118 CO 0.05 0.08 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.85 1bx2 s VAL 119 N 0.84 1.49 -0.02 1.60 1.01 -1.26 -0.68 120.40 123.39 1bx2 s VAL 119 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1bx2 s VAL 119 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1bx2 s VAL 119 CO 0.00 0.43 -0.05 -0.89 0.00 0.00 0.00 175.10 174.59 1bx2 s THR 120 N -0.01 0.45 -0.10 3.92 2.01 -0.27 -4.97 115.64 116.67 1bx2 s THR 120 Ca -0.03 -0.19 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 1bx2 s THR 120 Cb -0.11 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1bx2 s THR 120 CO 0.02 0.15 0.35 0.26 -0.69 0.00 0.00 174.62 174.72 1bx2 s TRP 121 N 0.21 3.57 -0.09 4.92 0.52 -1.26 -0.60 118.94 126.21 1bx2 s TRP 121 Ca -0.02 0.78 0.02 0.00 0.02 0.00 0.00 56.10 56.89 1bx2 s TRP 121 Cb -0.06 -2.33 0.02 0.00 -1.15 0.00 0.00 33.47 29.94 1bx2 s TRP 121 CO -0.00 0.40 -0.13 -0.51 0.02 0.00 0.00 176.95 176.73 1bx2 s LEU 122 N -0.14 1.61 -0.26 2.99 1.43 -0.10 -1.10 118.68 123.11 1bx2 s LEU 122 Ca 0.21 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1bx2 s LEU 122 Cb -0.15 -0.94 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1bx2 s LEU 122 CO 0.08 0.00 -0.08 -0.60 0.23 0.00 0.00 176.35 175.99 1bx2 s ARG 123 N 0.95 2.57 -1.46 1.70 3.52 0.12 -0.97 118.95 125.39 1bx2 s ARG 123 Ca -0.08 -1.15 -0.03 0.00 -0.13 0.00 0.00 55.73 54.34 1bx2 s ARG 123 Cb -0.15 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1bx2 s ARG 123 CO -0.00 -0.48 0.45 0.09 -0.81 0.00 0.00 175.30 174.54 1bx2 n ASN 124 N 4.58 -5.68 0.00 -2.12 3.02 0.77 -1.71 115.26 114.12 1bx2 n ASN 124 Ca -0.15 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1bx2 n ASN 124 Cb 0.45 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 1bx2 n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx2 n GLY 125 N -1.37 2.89 3.85 7.41 0.00 -1.26 -5.03 105.19 111.68 1bx2 n GLY 125 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1bx2 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bx2 s LYS 126 N -0.35 3.83 0.89 1.61 1.02 -0.69 -4.97 119.74 121.07 1bx2 s LYS 126 Ca 0.00 0.30 -0.11 0.00 0.02 0.00 0.00 55.97 56.19 1bx2 s LYS 126 Cb 0.00 -3.19 0.13 0.00 -0.52 0.00 0.00 37.83 34.25 1bx2 s LYS 126 CO 0.00 0.69 1.16 -2.14 -0.92 0.00 0.00 175.35 174.14 1bx2 s PRO 127 N -1.16 1.15 -0.01 -1.68 0.02 -1.26 0.14 135.00 132.21 1bx2 s PRO 127 Ca 0.23 1.59 -0.00 0.00 0.02 0.00 0.00 61.00 62.84 1bx2 s PRO 127 Cb -0.16 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1bx2 s PRO 127 CO 0.12 -2.54 0.02 0.08 -0.33 0.00 0.00 177.00 174.35 1bx2 s VAL 128 N -2.56 -0.02 0.00 3.83 1.01 -0.26 -4.70 120.40 117.70 1bx2 s VAL 128 Ca 0.68 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1bx2 s VAL 128 Cb -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1bx2 s VAL 128 CO 0.56 0.03 0.02 0.41 0.00 0.00 0.00 175.10 176.13 1bx2 n THR 129 N 3.50 0.00 -1.63 3.92 -1.04 -1.26 -4.48 114.28 113.29 1bx2 n THR 129 Ca -0.18 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.05 61.17 1bx2 n THR 129 Cb 0.56 1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 70.08 1bx2 n THR 129 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1bx2 s THR 130 N -0.51 3.05 0.00 12.58 -4.23 -1.26 -2.93 115.64 122.35 1bx2 s THR 130 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 1bx2 s THR 130 Cb 0.00 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1bx2 s THR 130 CO 0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1bx2 n GLY 131 N 5.90 0.36 3.75 3.99 0.00 -1.26 -4.68 105.19 113.24 1bx2 n GLY 131 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1bx2 n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bx2 s VAL 132 N -1.87 2.77 0.21 1.61 -7.23 -1.15 -4.44 120.40 110.30 1bx2 s VAL 132 Ca 0.00 0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 60.46 1bx2 s VAL 132 Cb 0.00 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 1bx2 s VAL 132 CO 0.00 -0.20 0.34 -0.94 -0.31 0.00 0.00 175.10 173.99 1bx2 s SER 133 N -2.23 0.01 0.32 4.85 1.04 -0.85 -5.00 113.70 111.83 1bx2 s SER 133 Ca 0.71 -1.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 1bx2 s SER 133 Cb -0.25 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1bx2 s SER 133 CO 0.42 -1.00 0.55 -1.83 0.98 0.00 0.00 173.24 172.36 1bx2 s GLU 134 N -4.04 1.84 0.36 4.02 -1.05 -1.26 -0.87 118.70 117.70 1bx2 s GLU 134 Ca 0.25 -1.49 0.09 0.00 -0.15 0.00 0.00 54.97 53.67 1bx2 s GLU 134 Cb 0.02 0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 34.14 1bx2 s GLU 134 CO 0.07 -0.79 -0.06 0.95 0.95 0.00 0.00 175.26 176.38 1bx2 s THR 135 N -3.28 2.11 0.23 1.83 -4.23 -0.84 -4.99 115.64 106.47 1bx2 s THR 135 Ca 0.24 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1bx2 s THR 135 Cb -0.02 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.15 1bx2 s THR 135 CO 0.14 -0.15 0.29 1.33 -0.54 0.00 0.00 174.62 175.68 1bx2 n VAL 136 N -0.82 0.00 -2.73 2.29 0.24 -1.26 -4.66 118.33 111.39 1bx2 n VAL 136 Ca -0.05 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 1bx2 n VAL 136 Cb 0.64 -1.71 -0.03 0.00 -1.47 0.00 0.00 33.84 31.26 1bx2 n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1bx2 s PHE 137 N -1.61 2.68 0.41 6.34 0.40 -1.26 -4.67 117.98 120.28 1bx2 s PHE 137 Ca 0.17 0.07 -0.23 0.00 -0.60 0.00 0.00 56.93 56.34 1bx2 s PHE 137 Cb -0.01 -4.28 -0.09 0.00 0.51 0.00 0.00 43.02 39.15 1bx2 s PHE 137 CO 0.12 -1.52 1.02 -0.51 0.70 0.00 0.00 175.22 175.03 1bx2 s LEU 138 N 4.44 4.07 0.60 -0.37 1.43 -0.67 -4.86 118.68 123.31 1bx2 s LEU 138 Ca 0.34 1.93 -0.04 0.00 -1.03 0.00 0.00 54.13 55.34 1bx2 s LEU 138 Cb -0.11 -4.30 0.03 0.00 0.03 0.00 0.00 46.19 41.84 1bx2 s LEU 138 CO 0.20 -0.48 0.88 -2.16 0.23 0.00 0.00 176.35 175.02 1bx2 s PRO 139 N -2.71 2.61 0.06 1.29 0.04 -1.26 -1.19 135.00 133.84 1bx2 s PRO 139 Ca 0.60 -0.34 0.02 0.00 0.04 0.00 0.00 61.00 61.31 1bx2 s PRO 139 Cb -0.18 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1bx2 s PRO 139 CO 0.23 -0.82 -0.07 1.03 0.04 0.00 0.00 177.00 177.40 1bx2 s ARG 140 N -4.96 0.62 0.19 4.56 0.52 -0.86 -4.74 118.95 114.28 1bx2 s ARG 140 Ca 0.56 -0.94 -0.19 0.00 -0.52 0.00 0.00 55.73 54.64 1bx2 s ARG 140 Cb -0.10 -0.25 0.14 0.00 0.52 0.00 0.00 34.95 35.26 1bx2 s ARG 140 CO 0.42 0.03 1.61 0.93 0.02 0.00 0.00 175.30 178.30 1bx2 h GLU 141 N 4.01 -0.13 -0.25 3.54 4.39 -2.00 -1.24 114.58 122.90 1bx2 h GLU 141 Ca -0.36 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1bx2 h GLU 141 Cb 1.19 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1bx2 h GLU 141 CO 0.48 -0.09 0.00 -0.40 -1.16 0.00 0.00 179.01 177.85 1bx2 n ASP 142 N -5.43 0.25 0.00 1.42 5.68 -1.26 -4.71 116.55 112.51 1bx2 n ASP 142 Ca 0.04 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 1bx2 n ASP 142 Cb 0.34 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1bx2 n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bx2 n HIS 143 N 0.29 0.00 -2.75 2.11 8.25 -0.47 -5.00 115.22 117.65 1bx2 n HIS 143 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1bx2 n HIS 143 Cb 0.06 -1.04 0.04 0.00 1.12 0.00 0.00 29.99 30.16 1bx2 n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bx2 n LEU 144 N 0.00 0.00 -4.46 2.41 4.77 -1.25 -4.89 117.00 113.59 1bx2 n LEU 144 Ca 0.00 -0.92 -0.22 0.00 -0.03 0.00 0.00 56.01 54.84 1bx2 n LEU 144 Cb 0.26 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1bx2 n LEU 144 CO 0.00 -0.63 -0.36 -0.36 -1.33 0.00 0.00 177.39 174.70 1bx2 s PHE 145 N -0.70 2.05 0.17 -1.77 0.40 -0.02 -2.03 117.98 116.10 1bx2 s PHE 145 Ca 0.25 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1bx2 s PHE 145 Cb -0.02 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 1bx2 s PHE 145 CO 0.16 0.34 -0.05 0.50 0.70 0.00 0.00 175.22 176.87 1bx2 s ARG 146 N -3.71 1.14 -0.21 0.44 3.52 -0.33 -2.12 118.95 117.68 1bx2 s ARG 146 Ca 0.30 -1.52 -0.29 0.00 -0.13 0.00 0.00 55.73 54.09 1bx2 s ARG 146 Cb 0.04 -0.53 0.14 0.00 -1.56 0.00 0.00 34.95 33.04 1bx2 s ARG 146 CO 0.13 -0.02 1.08 0.21 -0.81 0.00 0.00 175.30 175.89 1bx2 s LYS 147 N -3.82 0.47 0.08 5.12 2.20 -0.77 -1.67 119.74 121.35 1bx2 s LYS 147 Ca 0.21 0.21 0.07 0.00 -0.36 0.00 0.00 55.97 56.10 1bx2 s LYS 147 Cb 0.04 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1bx2 s LYS 147 CO 0.03 -0.13 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.65 1bx2 s PHE 148 N -0.77 1.63 -0.03 4.03 0.40 -1.26 -1.71 117.98 120.26 1bx2 s PHE 148 Ca 0.01 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1bx2 s PHE 148 Cb -0.02 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.61 1bx2 s PHE 148 CO -0.02 0.14 -0.04 -1.01 0.70 0.00 0.00 175.22 174.99 1bx2 s HIS 149 N -1.09 0.56 0.06 0.36 3.76 -1.09 -1.98 115.29 115.87 1bx2 s HIS 149 Ca 0.04 -0.12 0.08 0.00 -0.15 0.00 0.00 55.06 54.92 1bx2 s HIS 149 Cb -0.10 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 1bx2 s HIS 149 CO 0.03 -0.12 -0.20 0.71 -0.85 0.00 0.00 174.74 174.32 1bx2 s TYR 150 N 0.63 2.51 -0.26 1.40 2.02 -0.05 -0.73 117.35 122.87 1bx2 s TYR 150 Ca -0.07 -0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1bx2 s TYR 150 Cb -0.11 -1.42 0.10 0.00 -0.40 0.00 0.00 41.96 40.13 1bx2 s TYR 150 CO -0.00 0.27 0.15 -1.17 -1.57 0.00 0.00 175.55 173.23 1bx2 s LEU 151 N -1.60 0.35 0.47 -1.29 2.96 -0.37 -2.01 118.68 117.19 1bx2 s LEU 151 Ca 0.15 -1.03 -0.24 0.00 -0.22 0.00 0.00 54.13 52.79 1bx2 s LEU 151 Cb -0.10 -0.16 -0.07 0.00 0.50 0.00 0.00 46.19 46.35 1bx2 s LEU 151 CO 0.06 -0.41 1.26 -2.16 -1.32 0.00 0.00 176.35 173.78 1bx2 s PRO 152 N 2.16 3.65 0.22 0.98 0.04 -1.26 -1.31 135.00 139.47 1bx2 s PRO 152 Ca 0.08 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.93 1bx2 s PRO 152 Cb -0.16 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1bx2 s PRO 152 CO -0.30 -0.71 0.63 -0.59 0.04 0.00 0.00 177.00 176.07 1bx2 s PHE 153 N -1.39 -0.29 -0.32 0.56 -0.71 -0.69 -4.90 117.98 110.23 1bx2 s PHE 153 Ca 0.64 -0.05 -0.05 0.00 -1.04 0.00 0.00 56.93 56.43 1bx2 s PHE 153 Cb -0.35 0.58 0.04 0.00 -1.21 0.00 0.00 43.02 42.08 1bx2 s PHE 153 CO 0.43 -1.03 0.07 -1.17 -1.34 0.00 0.00 175.22 172.18 1bx2 s LEU 154 N -2.85 4.08 0.10 -1.99 2.96 -1.26 -1.38 118.68 118.35 1bx2 s LEU 154 Ca 0.07 -1.09 -0.35 0.00 -0.22 0.00 0.00 54.13 52.54 1bx2 s LEU 154 Cb -0.03 -1.82 -0.18 0.00 0.50 0.00 0.00 46.19 44.66 1bx2 s LEU 154 CO -0.02 -0.28 1.05 -2.65 -1.32 0.00 0.00 176.35 173.13 1bx2 n PRO 155 N 4.77 0.55 -3.49 0.98 -0.02 -1.26 -4.92 135.00 131.60 1bx2 n PRO 155 Ca -0.13 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 1bx2 n PRO 155 Cb 0.45 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 1bx2 n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bx2 s SER 156 N -0.09 -0.54 0.00 2.55 0.15 -1.26 -3.25 113.70 111.26 1bx2 s SER 156 Ca 0.80 0.32 0.27 0.00 0.70 0.00 0.00 55.95 58.03 1bx2 s SER 156 Cb -1.03 0.50 0.79 0.00 -1.71 0.00 0.00 66.02 64.57 1bx2 s SER 156 CO 0.54 -0.69 1.60 0.35 1.20 0.00 0.00 173.24 176.24 1bx2 n THR 157 N 0.27 0.00 1.00 6.45 -2.24 -1.26 -4.01 114.28 114.50 1bx2 n THR 157 Ca -0.15 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1bx2 n THR 157 Cb 0.61 0.07 0.17 0.00 -2.10 0.00 0.00 70.33 69.08 1bx2 n THR 157 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bx2 n GLU 158 N -1.30 0.01 -4.13 -0.78 -0.58 -1.26 -4.97 120.64 107.64 1bx2 n GLU 158 Ca 0.08 -0.01 -0.23 0.00 -0.42 0.00 0.00 57.16 56.58 1bx2 n GLU 158 Cb 0.33 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 1bx2 n GLU 158 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bx2 s ASP 159 N -2.99 4.70 -0.04 1.62 1.01 -1.26 -5.07 116.67 114.64 1bx2 s ASP 159 Ca 0.11 -0.73 -0.03 0.00 0.71 0.00 0.00 52.55 52.60 1bx2 s ASP 159 Cb 0.17 -0.77 0.01 0.00 1.01 0.00 0.00 42.92 43.34 1bx2 s ASP 159 CO 0.73 -0.25 0.11 0.68 0.21 0.00 0.00 175.17 176.66 1bx2 s VAL 160 N -2.40 -0.01 0.29 -1.27 -7.23 -1.26 -4.57 120.40 103.95 1bx2 s VAL 160 Ca 0.37 0.02 0.12 0.00 -1.81 0.00 0.00 61.98 60.68 1bx2 s VAL 160 Cb -0.03 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.69 1bx2 s VAL 160 CO 0.22 0.01 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.53 1bx2 s TYR 161 N 0.20 2.29 -0.16 2.82 1.51 -0.08 -0.16 117.35 123.76 1bx2 s TYR 161 Ca -0.01 -0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 55.52 1bx2 s TYR 161 Cb -0.02 -1.03 0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1bx2 s TYR 161 CO -0.01 0.69 0.46 -0.51 -1.11 0.00 0.00 175.55 175.08 1bx2 s ASP 162 N -3.52 -0.47 -0.22 2.29 1.01 -0.14 -0.98 116.67 114.65 1bx2 s ASP 162 Ca 0.30 0.86 -0.08 0.00 0.71 0.00 0.00 52.55 54.34 1bx2 s ASP 162 Cb -0.04 0.88 -0.04 0.00 1.01 0.00 0.00 42.92 44.74 1bx2 s ASP 162 CO 0.15 -0.20 0.08 0.00 0.21 0.00 0.00 175.17 175.41 1bx2 s ARG 164 N 0.99 3.61 -0.10 0.00 6.06 0.23 -1.52 118.95 128.22 1bx2 s ARG 164 Ca 0.05 -0.51 0.03 0.00 -2.50 0.00 0.00 55.73 52.79 1bx2 s ARG 164 Cb -0.14 -3.38 -0.01 0.00 0.06 0.00 0.00 34.95 31.49 1bx2 s ARG 164 CO 0.03 -0.23 -0.21 0.08 -2.50 0.00 0.00 175.30 172.47 1bx2 s VAL 165 N 1.62 2.35 -0.13 7.11 1.01 -0.26 -1.12 120.40 130.98 1bx2 s VAL 165 Ca 0.06 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1bx2 s VAL 165 Cb -0.15 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1bx2 s VAL 165 CO 0.04 0.55 -0.19 -1.61 0.00 0.00 0.00 175.10 173.90 1bx2 s GLU 166 N 0.26 2.67 -0.05 2.72 2.02 0.14 -1.41 118.70 125.05 1bx2 s GLU 166 Ca -0.14 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.07 1bx2 s GLU 166 Cb -0.17 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 31.88 1bx2 s GLU 166 CO 0.07 -0.03 0.15 -1.58 0.02 0.00 0.00 175.26 173.89 1bx2 s HIS 167 N 0.89 -0.14 0.50 1.61 2.46 -1.26 -1.59 115.29 117.76 1bx2 s HIS 167 Ca -0.07 0.35 0.26 0.00 0.47 0.00 0.00 55.06 56.07 1bx2 s HIS 167 Cb -0.15 0.04 1.43 0.00 -0.13 0.00 0.00 32.58 33.78 1bx2 s HIS 167 CO -0.02 -0.10 1.79 -1.49 -2.47 0.00 0.00 174.74 172.45 1bx2 h TRP 168 N 5.75 0.00 -0.01 3.88 6.55 -1.95 0.35 115.95 130.51 1bx2 h TRP 168 Ca -0.26 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.58 1bx2 h TRP 168 Cb 1.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 1bx2 h TRP 168 CO 0.43 0.00 -0.10 0.41 -1.05 0.00 0.00 178.44 178.12 1bx2 n GLY 169 N -1.23 -0.14 3.86 1.49 0.00 -1.26 -4.86 105.19 103.05 1bx2 n GLY 169 Ca -0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 1bx2 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bx2 s LEU 170 N -2.19 4.42 0.46 0.99 1.02 0.12 -4.34 118.68 119.17 1bx2 s LEU 170 Ca 0.32 0.66 0.24 0.00 0.02 0.00 0.00 54.13 55.38 1bx2 s LEU 170 Cb 0.20 -2.27 1.11 0.00 0.02 0.00 0.00 46.19 45.25 1bx2 s LEU 170 CO 0.40 0.38 1.92 0.44 0.02 0.00 0.00 176.35 179.51 1bx2 h ASP 171 N 4.88 0.00 -4.50 2.29 3.32 -1.89 -3.46 116.42 117.06 1bx2 h ASP 171 Ca -0.54 0.00 0.33 0.00 0.02 0.00 0.00 57.03 56.84 1bx2 h ASP 171 Cb 1.23 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.59 1bx2 h ASP 171 CO 0.59 0.21 0.94 -1.83 -1.72 0.00 0.00 179.24 177.43 1bx2 s GLU 172 N -3.90 0.11 0.00 3.56 -1.05 -1.26 -5.14 118.70 111.02 1bx2 s GLU 172 Ca -0.01 -0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.46 1bx2 s GLU 172 Cb 0.12 0.05 -0.15 0.00 -0.44 0.00 0.00 34.13 33.70 1bx2 s GLU 172 CO 0.62 -0.05 0.81 -2.30 0.95 0.00 0.00 175.26 175.29 1bx2 n PRO 173 N -0.14 0.00 -4.05 -4.83 -0.02 -1.26 -4.93 135.00 119.77 1bx2 n PRO 173 Ca 0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.14 1bx2 n PRO 173 Cb 0.58 -1.13 -0.09 0.00 -0.02 0.00 0.00 33.50 32.84 1bx2 n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1bx2 s LEU 174 N 0.02 3.91 -0.13 2.45 2.96 -0.50 -4.96 118.68 122.43 1bx2 s LEU 174 Ca 0.69 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1bx2 s LEU 174 Cb -0.96 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 43.78 1bx2 s LEU 174 CO 0.43 0.27 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.75 1bx2 s LEU 175 N -0.22 2.11 -0.19 -0.68 1.43 -1.26 -1.10 118.68 118.77 1bx2 s LEU 175 Ca 0.08 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 1bx2 s LEU 175 Cb -0.12 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1bx2 s LEU 175 CO 0.01 0.09 -0.01 -0.54 0.23 0.00 0.00 176.35 176.13 1bx2 s LYS 176 N 0.75 3.62 0.12 1.70 -0.14 -0.58 -4.94 119.74 120.27 1bx2 s LYS 176 Ca -0.09 -0.53 -0.01 0.00 -1.36 0.00 0.00 55.97 53.99 1bx2 s LYS 176 Cb -0.16 -3.03 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 1bx2 s LYS 176 CO -0.00 0.06 0.30 -1.58 -0.76 0.00 0.00 175.35 173.36 1bx2 s HIS 177 N 0.87 3.50 -0.18 3.18 5.65 -1.26 -0.82 115.29 126.22 1bx2 s HIS 177 Ca 0.00 0.33 -0.17 0.00 0.25 0.00 0.00 55.06 55.48 1bx2 s HIS 177 Cb -0.14 -1.83 0.05 0.00 -1.18 0.00 0.00 32.58 29.47 1bx2 s HIS 177 CO 0.02 0.50 0.49 -0.46 -0.65 0.00 0.00 174.74 174.63 1bx2 s TRP 178 N -1.65 -0.55 -0.28 3.88 -0.00 -0.15 -4.87 118.94 115.31 1bx2 s TRP 178 Ca 0.37 1.32 -0.24 0.00 -0.00 0.00 0.00 56.10 57.55 1bx2 s TRP 178 Cb -0.12 0.19 0.12 0.00 -0.00 0.00 0.00 33.47 33.66 1bx2 s TRP 178 CO 0.27 -0.27 0.98 -1.83 -0.00 0.00 0.00 176.95 176.10 1bx2 s GLU 179 N 0.34 0.55 0.44 5.86 -1.05 -1.26 -0.90 118.70 122.67 1bx2 s GLU 179 Ca -0.01 0.67 -0.22 0.00 -0.15 0.00 0.00 54.97 55.27 1bx2 s GLU 179 Cb -0.04 0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.82 1bx2 s GLU 179 CO -0.00 -0.07 1.00 0.12 0.95 0.00 0.00 175.26 177.26 1bx2 s PHE 180 N 0.35 3.20 0.00 4.83 2.19 -1.26 -5.09 117.98 122.19 1bx2 s PHE 180 Ca 0.02 1.61 0.00 0.00 0.33 0.00 0.00 56.93 58.89 1bx2 s PHE 180 Cb -0.05 -3.00 0.00 0.00 -1.31 0.00 0.00 43.02 38.66 1bx2 s PHE 180 CO -0.06 -0.48 0.00 -0.25 1.83 0.00 0.00 175.22 176.26