#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bx3 s PHE 3 N 0.00 -0.99 -0.01 1.61 5.36 -1.26 -4.98 117.98 117.71 2bx3 s PHE 3 Ca 0.00 1.89 0.01 0.00 -0.96 0.00 0.00 56.93 57.87 2bx3 s PHE 3 Cb 0.00 0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 43.18 2bx3 s PHE 3 CO 0.00 -0.52 0.00 1.03 -1.46 0.00 0.00 175.22 174.28 2bx3 s ARG 4 N 2.12 2.82 0.26 10.12 0.52 -1.26 -5.07 118.95 128.46 2bx3 s ARG 4 Ca -0.07 -0.58 -0.31 0.00 -0.52 0.00 0.00 55.73 54.25 2bx3 s ARG 4 Cb -0.09 -2.69 -0.12 0.00 0.52 0.00 0.00 34.95 32.57 2bx3 s ARG 4 CO -0.17 0.64 1.63 1.17 0.02 0.00 0.00 175.30 178.59 2bx3 n LYS 5 N 1.49 2.70 -4.78 3.54 4.81 -1.26 -5.01 118.16 119.66 2bx3 n LYS 5 Ca -0.15 0.96 -0.30 0.00 -0.87 0.00 0.00 58.31 57.96 2bx3 n LYS 5 Cb 0.53 -2.77 -0.17 0.00 0.02 0.00 0.00 35.03 32.64 2bx3 n LYS 5 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2bx3 s MET 6 N 0.07 2.53 0.38 1.64 -2.45 -1.26 -5.03 119.30 115.16 2bx3 s MET 6 Ca 0.68 -0.69 -0.07 0.00 -1.25 0.00 0.00 55.69 54.37 2bx3 s MET 6 Cb -0.51 -2.02 -0.05 0.00 1.25 0.00 0.00 34.83 33.50 2bx3 s MET 6 CO 0.43 0.05 0.68 0.00 1.05 0.00 0.00 175.02 177.23 2bx3 s ALA 7 N 0.67 3.48 0.55 4.11 0.00 -1.26 -4.81 121.76 124.51 2bx3 s ALA 7 Ca -0.12 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 2bx3 s ALA 7 Cb -0.16 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 2bx3 s ALA 7 CO 0.03 -0.00 1.26 -0.06 0.00 0.00 0.00 175.76 176.99 2bx3 s PHE 8 N -2.35 2.44 0.42 0.00 0.08 -1.26 -4.97 117.98 112.33 2bx3 s PHE 8 Ca 0.47 1.46 -0.27 0.00 0.12 0.00 0.00 56.93 58.72 2bx3 s PHE 8 Cb -0.10 -3.60 -0.10 0.00 -0.57 0.00 0.00 43.02 38.65 2bx3 s PHE 8 CO 0.34 -2.37 1.47 -2.14 -0.10 0.00 0.00 175.22 172.42 2bx3 s PRO 9 N -3.03 3.86 0.00 0.24 0.02 -1.26 -4.89 135.00 129.95 2bx3 s PRO 9 Ca 0.72 2.52 0.22 0.00 0.02 0.00 0.00 61.00 64.48 2bx3 s PRO 9 Cb -0.34 -2.80 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 2bx3 s PRO 9 CO 0.40 -0.71 1.06 -1.13 -0.33 0.00 0.00 177.00 176.28 2bx3 n SER 10 N 0.09 1.51 -0.27 2.53 3.41 -1.26 -4.55 113.62 115.08 2bx3 n SER 10 Ca 0.03 -1.23 0.06 0.00 -0.26 0.00 0.00 58.87 57.47 2bx3 n SER 10 Cb 0.40 0.65 0.20 0.00 -0.26 0.00 0.00 64.21 65.20 2bx3 n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2bx3 h GLY 11 N 4.92 1.21 1.92 5.00 0.00 -2.00 0.76 103.07 114.87 2bx3 h GLY 11 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2bx3 h GLY 11 CO 0.00 -0.08 0.04 0.50 0.00 0.00 0.00 176.54 177.00 2bx3 h LYS 12 N 0.49 0.11 0.06 4.80 1.57 -1.97 -2.51 116.57 119.11 2bx3 h LYS 12 Ca 0.43 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.89 2bx3 h LYS 12 Cb 0.64 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2bx3 h LYS 12 CO -0.39 0.09 -1.74 0.28 -0.57 0.00 0.00 179.45 177.11 2bx3 h VAL 13 N 0.11 0.86 -0.81 0.50 2.07 -1.23 -3.38 116.25 114.38 2bx3 h VAL 13 Ca 0.03 -2.64 0.11 0.00 0.82 0.00 0.00 66.70 65.02 2bx3 h VAL 13 Cb 0.01 2.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.22 2bx3 h VAL 13 CO -0.00 0.68 0.43 -0.33 0.02 0.00 0.00 177.57 178.37 2bx3 h GLU 14 N 0.03 0.67 0.00 1.57 5.08 -0.74 0.03 114.58 121.22 2bx3 h GLU 14 Ca -0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2bx3 h GLU 14 Cb 2.01 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2bx3 h GLU 14 CO 0.10 0.44 0.00 0.41 -1.00 0.00 0.00 179.01 178.96 2bx3 n GLY 15 N -1.32 -1.02 0.66 -3.84 0.00 -1.19 -2.07 105.19 96.41 2bx3 n GLY 15 Ca 0.14 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2bx3 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bx3 s MET 17 N -2.13 4.39 0.36 0.00 -1.94 -0.88 -0.56 119.30 118.54 2bx3 s MET 17 Ca 0.29 0.82 0.04 0.00 -1.71 0.00 0.00 55.69 55.13 2bx3 s MET 17 Cb 0.20 -3.47 -0.05 0.00 2.01 0.00 0.00 34.83 33.51 2bx3 s MET 17 CO 0.38 0.00 0.06 0.14 -0.01 0.00 0.00 175.02 175.59 2bx3 s VAL 18 N 1.04 1.14 -0.05 -6.03 -7.23 0.39 -4.73 120.40 104.92 2bx3 s VAL 18 Ca 0.35 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2bx3 s VAL 18 Cb -0.17 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2bx3 s VAL 18 CO 0.16 0.00 0.02 -1.58 -0.31 0.00 0.00 175.10 173.39 2bx3 s GLN 19 N -3.84 2.98 -0.09 4.82 0.74 -0.24 -0.81 119.66 123.22 2bx3 s GLN 19 Ca 0.32 -0.45 0.02 0.00 0.05 0.00 0.00 55.36 55.29 2bx3 s GLN 19 Cb 0.07 -2.80 0.02 0.00 1.10 0.00 0.00 33.01 31.40 2bx3 s GLN 19 CO 0.15 0.68 -0.13 0.08 -0.55 0.00 0.00 175.29 175.52 2bx3 s VAL 20 N -0.99 1.29 -0.05 1.34 1.01 -0.03 -1.15 120.40 121.81 2bx3 s VAL 20 Ca 0.16 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2bx3 s VAL 20 Cb -0.12 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2bx3 s VAL 20 CO 0.06 0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 174.45 2bx3 s THR 21 N 0.97 1.81 -0.08 3.92 2.01 0.27 -1.42 115.64 123.12 2bx3 s THR 21 Ca -0.08 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.00 2bx3 s THR 21 Cb -0.15 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.84 2bx3 s THR 21 CO -0.00 0.51 -0.09 0.00 -0.69 0.00 0.00 174.62 174.34 2bx3 n GLY 23 N 4.30 3.89 0.72 0.00 0.00 -1.26 -1.42 105.19 111.43 2bx3 n GLY 23 Ca -0.19 0.01 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2bx3 n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bx3 n THR 24 N 0.00 0.00 -3.59 2.61 -2.24 -1.26 -4.95 114.28 104.85 2bx3 n THR 24 Ca 0.00 -0.40 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 2bx3 n THR 24 Cb 0.00 1.38 -0.08 0.00 -2.10 0.00 0.00 70.33 69.52 2bx3 n THR 24 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bx3 s THR 25 N -2.13 5.32 0.01 4.28 2.01 -0.51 -5.08 115.64 119.55 2bx3 s THR 25 Ca 0.23 0.38 0.08 0.00 0.31 0.00 0.00 61.69 62.69 2bx3 s THR 25 Cb 0.18 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 2bx3 s THR 25 CO 0.40 0.35 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.54 2bx3 s THR 26 N 0.86 2.20 0.00 -0.82 2.01 -1.26 -1.49 115.64 117.14 2bx3 s THR 26 Ca 0.12 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 60.91 2bx3 s THR 26 Cb -0.13 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.56 2bx3 s THR 26 CO 0.04 0.47 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 2bx3 n LEU 27 N 2.08 0.00 -4.87 4.42 -0.00 -0.51 -4.97 117.00 113.16 2bx3 n LEU 27 Ca -0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.51 2bx3 n LEU 27 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.88 2bx3 n LEU 27 CO 0.23 0.00 0.13 0.20 -0.00 0.00 0.00 177.39 177.95 2bx3 s ASN 28 N -0.66 6.62 0.25 1.45 0.01 -0.92 -0.85 114.94 120.84 2bx3 s ASN 28 Ca 0.00 0.82 0.03 0.00 -0.71 0.00 0.00 52.86 52.99 2bx3 s ASN 28 Cb 0.00 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.42 2bx3 s ASN 28 CO 0.00 0.06 0.04 -0.83 -1.51 0.00 0.00 177.10 174.86 2bx3 s GLY 29 N -2.10 1.66 -0.25 0.66 0.00 0.01 -4.24 107.32 103.06 2bx3 s GLY 29 Ca 0.40 -1.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 2bx3 s GLY 29 CO 0.21 -1.65 -0.07 -2.27 0.00 0.00 0.00 173.10 169.32 2bx3 s LEU 30 N -3.32 3.17 -0.38 0.66 2.96 0.27 -0.46 118.68 121.58 2bx3 s LEU 30 Ca 0.32 -0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 53.18 2bx3 s LEU 30 Cb 0.07 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2bx3 s LEU 30 CO 0.11 -0.13 0.31 0.86 -1.32 0.00 0.00 176.35 176.18 2bx3 s TRP 31 N 1.31 3.22 -0.04 5.38 -0.00 0.27 -1.08 118.94 128.00 2bx3 s TRP 31 Ca -0.00 -0.33 0.01 0.00 -0.00 0.00 0.00 56.10 55.77 2bx3 s TRP 31 Cb -0.17 -2.61 0.02 0.00 -0.00 0.00 0.00 33.47 30.71 2bx3 s TRP 31 CO -0.05 -0.50 -0.04 -0.51 -0.00 0.00 0.00 176.95 175.84 2bx3 s LEU 32 N 1.82 1.31 0.00 5.86 1.43 -0.25 -4.57 118.68 124.29 2bx3 s LEU 32 Ca 0.08 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2bx3 s LEU 32 Cb -0.18 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.60 2bx3 s LEU 32 CO 0.11 -0.06 0.00 0.47 0.23 0.00 0.00 176.35 177.10 2bx3 n ASP 33 N 4.07 0.00 -1.37 2.29 8.00 -1.26 -1.88 116.55 126.40 2bx3 n ASP 33 Ca -0.24 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.24 2bx3 n ASP 33 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.85 2bx3 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2bx3 n ASP 34 N 4.59 3.63 -4.33 -2.24 5.75 -1.26 -0.10 116.55 122.59 2bx3 n ASP 34 Ca 0.00 -3.38 -0.31 0.00 -0.01 0.00 0.00 54.79 51.09 2bx3 n ASP 34 Cb 0.00 -0.65 -0.16 0.00 -1.03 0.00 0.00 41.12 39.28 2bx3 n ASP 34 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2bx3 s THR 35 N -3.05 2.16 -0.13 2.12 2.01 -0.79 -0.07 115.64 117.88 2bx3 s THR 35 Ca 0.47 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.41 2bx3 s THR 35 Cb 0.40 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 2bx3 s THR 35 CO 0.07 0.58 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.74 2bx3 s VAL 36 N -0.60 2.87 -0.16 3.82 1.01 0.27 -1.09 120.40 126.52 2bx3 s VAL 36 Ca 0.09 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2bx3 s VAL 36 Cb -0.10 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2bx3 s VAL 36 CO -0.01 0.53 0.03 -0.31 0.00 0.00 0.00 175.10 175.34 2bx3 s TYR 37 N 0.42 3.19 0.20 5.22 1.51 -0.24 0.01 117.35 127.67 2bx3 s TYR 37 Ca -0.11 0.01 -0.14 0.00 -1.01 0.00 0.00 57.07 55.83 2bx3 s TYR 37 Cb -0.16 -2.00 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 2bx3 s TYR 37 CO 0.05 0.18 0.44 0.00 -1.11 0.00 0.00 175.55 175.11 2bx3 s PRO 39 N -3.94 4.15 0.63 0.00 0.02 -1.26 -0.50 135.00 134.10 2bx3 s PRO 39 Ca 0.15 2.55 0.39 0.00 0.02 0.00 0.00 61.00 64.11 2bx3 s PRO 39 Cb 0.00 -3.08 2.18 0.00 0.02 0.00 0.00 34.50 33.62 2bx3 s PRO 39 CO 0.01 -0.69 2.31 0.07 -0.33 0.00 0.00 177.00 178.37 2bx3 h ARG 40 N 6.41 0.00 0.00 5.54 0.11 -1.67 -2.66 114.38 122.11 2bx3 h ARG 40 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2bx3 h ARG 40 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2bx3 h ARG 40 CO 0.92 0.01 0.00 -2.39 0.10 0.00 0.00 179.97 178.60 2bx3 n HIS 41 N -3.33 0.00 0.24 4.08 1.44 -1.26 -1.69 115.22 114.70 2bx3 n HIS 41 Ca -0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.80 2bx3 n HIS 41 Cb 0.09 -0.01 0.59 0.00 0.12 0.00 0.00 29.99 30.77 2bx3 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2bx3 h VAL 42 N 0.00 0.51 -0.00 0.61 3.04 -1.86 -2.29 116.25 116.26 2bx3 h VAL 42 Ca 0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 2bx3 h VAL 42 Cb 0.00 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2bx3 h VAL 42 CO 0.00 0.17 -0.07 2.30 -1.01 0.00 0.00 177.57 178.95 2bx3 n ILE 43 N -3.45 0.00 -3.05 3.17 -5.35 -0.68 -4.45 119.36 105.54 2bx3 n ILE 43 Ca -0.01 -0.02 -0.39 0.00 -0.27 0.00 0.00 62.75 62.06 2bx3 n ILE 43 Cb 0.35 -0.31 -0.06 0.00 -1.74 0.00 0.00 39.64 37.88 2bx3 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bx3 s THR 45 N -0.84 2.72 0.39 0.00 -1.32 -1.26 -4.84 115.64 110.49 2bx3 s THR 45 Ca 0.35 -0.20 0.20 0.00 -1.21 0.00 0.00 61.69 60.83 2bx3 s THR 45 Cb -0.21 -3.14 0.40 0.00 -1.51 0.00 0.00 72.50 68.03 2bx3 s THR 45 CO 0.23 -0.15 1.71 0.00 -2.21 0.00 0.00 174.62 174.20 2bx3 h ALA 46 N -0.44 2.29 0.05 11.08 0.00 -1.99 0.86 119.26 131.11 2bx3 h ALA 46 Ca -0.45 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2bx3 h ALA 46 Cb 1.30 0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.20 2bx3 h ALA 46 CO 0.60 -0.80 -0.64 1.49 0.00 0.00 0.00 179.25 179.90 2bx3 h GLU 47 N 0.31 0.34 -0.98 0.00 4.81 -2.04 -3.20 114.58 113.81 2bx3 h GLU 47 Ca 0.69 -0.44 0.22 0.00 -0.13 0.00 0.00 59.36 59.70 2bx3 h GLU 47 Cb 1.81 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 31.25 2bx3 h GLU 47 CO -0.40 1.14 0.63 -0.44 -0.73 0.00 0.00 179.01 179.21 2bx3 h ASP 48 N -0.26 0.54 0.53 1.04 3.32 -1.25 -2.93 116.42 117.41 2bx3 h ASP 48 Ca -0.10 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2bx3 h ASP 48 Cb 1.41 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 2bx3 h ASP 48 CO 0.12 0.17 -0.00 0.24 -1.72 0.00 0.00 179.24 178.05 2bx3 h MET 49 N 0.51 0.00 -0.19 3.56 2.86 -1.22 -0.48 114.93 119.97 2bx3 h MET 49 Ca 0.55 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.99 2bx3 h MET 49 Cb 1.20 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.87 2bx3 h MET 49 CO -0.28 0.00 -0.64 -0.07 1.06 0.00 0.00 176.91 176.98 2bx3 h LEU 50 N 0.00 0.88 -5.59 1.22 4.07 -1.70 0.37 115.31 114.56 2bx3 h LEU 50 Ca -0.00 -0.60 -0.38 0.00 0.08 0.00 0.00 57.88 56.98 2bx3 h LEU 50 Cb 0.26 -0.26 -0.27 0.00 1.08 0.00 0.00 40.66 41.48 2bx3 h LEU 50 CO 0.00 1.33 -0.78 0.59 -1.08 0.00 0.00 178.44 178.50 2bx3 n ASN 51 N -4.03 -1.61 -4.70 -0.43 3.02 -0.85 -4.30 115.26 102.35 2bx3 n ASN 51 Ca -0.07 -2.84 -0.42 0.00 -0.03 0.00 0.00 54.58 51.22 2bx3 n ASN 51 Cb 0.67 0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 40.39 2bx3 n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2bx3 s PRO 52 N 0.05 4.39 -1.03 3.52 0.05 -0.25 -4.97 135.00 136.76 2bx3 s PRO 52 Ca 0.33 1.78 -0.14 0.00 0.05 0.00 0.00 61.00 63.01 2bx3 s PRO 52 Cb 0.12 -3.43 0.19 0.00 0.05 0.00 0.00 34.50 31.43 2bx3 s PRO 52 CO -0.16 -0.36 1.14 1.21 0.05 0.00 0.00 177.00 178.89 2bx3 s ASN 53 N 1.29 6.93 0.27 6.66 3.84 -1.26 -4.88 114.94 127.78 2bx3 s ASN 53 Ca 0.59 -2.76 -0.02 0.00 0.21 0.00 0.00 52.86 50.87 2bx3 s ASN 53 Cb -0.29 -2.32 0.41 0.00 -0.55 0.00 0.00 41.25 38.50 2bx3 s ASN 53 CO 0.27 -0.72 1.89 1.88 -2.79 0.00 0.00 177.10 177.63 2bx3 h TYR 54 N 7.69 1.20 -0.36 0.43 0.05 -1.98 0.53 116.97 124.53 2bx3 h TYR 54 Ca 0.20 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.94 2bx3 h TYR 54 Cb 0.95 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2bx3 h TYR 54 CO 1.04 0.63 -0.03 0.93 -1.05 0.00 0.00 178.16 179.68 2bx3 h GLU 55 N 1.18 0.66 -0.32 4.88 3.07 -1.99 0.66 114.58 122.72 2bx3 h GLU 55 Ca 0.43 -0.22 -0.11 0.00 -0.50 0.00 0.00 59.36 58.95 2bx3 h GLU 55 Cb 0.15 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2bx3 h GLU 55 CO -0.17 0.78 -0.23 0.22 -1.40 0.00 0.00 179.01 178.22 2bx3 h ASP 56 N 0.46 0.76 -0.65 1.42 3.58 -1.88 -1.38 116.42 118.73 2bx3 h ASP 56 Ca 0.10 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 57.08 2bx3 h ASP 56 Cb 0.51 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2bx3 h ASP 56 CO 0.02 1.04 0.29 -0.07 -2.88 0.00 0.00 179.24 177.64 2bx3 h LEU 57 N 0.49 0.87 -0.13 2.28 3.38 -0.58 -1.72 115.31 119.90 2bx3 h LEU 57 Ca 0.06 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 2bx3 h LEU 57 Cb 0.79 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2bx3 h LEU 57 CO 0.06 0.78 -0.68 0.25 0.09 0.00 0.00 178.44 178.94 2bx3 h LEU 58 N 0.90 0.82 -1.12 1.67 5.85 -0.76 -3.06 115.31 119.61 2bx3 h LEU 58 Ca 0.22 -0.64 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 2bx3 h LEU 58 Cb 0.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2bx3 h LEU 58 CO -0.02 1.33 -0.38 -0.29 -0.34 0.00 0.00 178.44 178.74 2bx3 h ILE 59 N 0.37 1.03 0.00 4.05 2.10 -1.06 -1.73 117.51 122.27 2bx3 h ILE 59 Ca -0.05 -1.42 0.00 0.00 1.08 0.00 0.00 64.86 64.47 2bx3 h ILE 59 Cb 1.32 1.82 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 2bx3 h ILE 59 CO 0.14 0.37 0.00 0.54 -1.08 0.00 0.00 178.15 178.12 2bx3 n ARG 60 N -3.74 0.16 -3.15 2.19 1.74 -0.66 -4.86 116.66 108.34 2bx3 n ARG 60 Ca -0.01 0.31 -0.38 0.00 -0.77 0.00 0.00 57.85 57.01 2bx3 n ARG 60 Cb 0.46 -1.76 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 2bx3 n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2bx3 s LYS 61 N -3.19 4.31 0.63 5.56 1.02 -0.65 -5.07 119.74 122.34 2bx3 s LYS 61 Ca 0.07 0.88 -0.07 0.00 0.02 0.00 0.00 55.97 56.86 2bx3 s LYS 61 Cb 0.11 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2bx3 s LYS 61 CO 0.42 0.54 0.96 -1.54 -0.92 0.00 0.00 175.35 174.81 2bx3 s SER 62 N -1.31 5.51 0.39 2.83 1.04 -1.26 -4.97 113.70 115.92 2bx3 s SER 62 Ca 0.35 0.81 0.14 0.00 0.48 0.00 0.00 55.95 57.73 2bx3 s SER 62 Cb -0.19 -1.73 0.79 0.00 0.10 0.00 0.00 66.02 64.98 2bx3 s SER 62 CO 0.22 -1.17 1.86 0.78 0.98 0.00 0.00 173.24 175.91 2bx3 h ASN 63 N -0.33 0.00 1.16 7.02 2.35 -1.97 -2.82 115.58 121.00 2bx3 h ASN 63 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2bx3 h ASN 63 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2bx3 h ASN 63 CO 0.62 0.33 0.00 -0.74 -1.65 0.00 0.00 177.43 175.99 2bx3 h HIS 64 N 0.00 0.00 0.00 1.19 2.76 -1.94 -2.64 115.15 114.52 2bx3 h HIS 64 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2bx3 h HIS 64 Cb 0.60 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.56 2bx3 h HIS 64 CO 0.00 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.29 2bx3 h SER 65 N 0.00 0.00 -3.66 3.26 4.64 -1.89 -3.41 113.55 112.50 2bx3 h SER 65 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 2bx3 h SER 65 Cb 0.58 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.49 2bx3 h SER 65 CO 0.00 0.00 -0.31 -0.36 -0.87 0.00 0.00 176.83 175.29 2bx3 s PHE 66 N -3.31 3.21 -0.35 4.77 0.08 -1.00 -4.32 117.98 117.06 2bx3 s PHE 66 Ca 0.06 -0.09 -0.16 0.00 0.12 0.00 0.00 56.93 56.85 2bx3 s PHE 66 Cb 0.10 -2.66 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 2bx3 s PHE 66 CO 0.49 -0.45 0.42 -1.17 -0.10 0.00 0.00 175.22 174.42 2bx3 s LEU 67 N 1.97 4.46 -0.20 -0.37 2.96 0.12 -4.65 118.68 122.97 2bx3 s LEU 67 Ca 0.11 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2bx3 s LEU 67 Cb -0.17 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 2bx3 s LEU 67 CO 0.12 -0.41 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.95 2bx3 s VAL 68 N 2.16 2.97 -0.08 1.68 1.01 -1.26 0.96 120.40 127.84 2bx3 s VAL 68 Ca 0.14 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2bx3 s VAL 68 Cb -0.16 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2bx3 s VAL 68 CO 0.12 0.47 -0.21 -1.10 0.00 0.00 0.00 175.10 174.38 2bx3 s GLN 69 N 1.32 2.63 -0.43 2.72 -0.21 -0.30 -0.45 119.66 124.93 2bx3 s GLN 69 Ca 0.04 -0.77 -0.14 0.00 0.02 0.00 0.00 55.36 54.51 2bx3 s GLN 69 Cb -0.14 -2.05 0.05 0.00 1.00 0.00 0.00 33.01 31.87 2bx3 s GLN 69 CO -0.05 0.18 0.33 0.00 -2.12 0.00 0.00 175.29 173.62 2bx3 s ALA 70 N 0.32 3.47 0.00 6.09 0.00 0.02 -1.08 121.76 130.58 2bx3 s ALA 70 Ca -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 49.87 2bx3 s ALA 70 Cb -0.17 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2bx3 s ALA 70 CO 0.07 -1.59 0.00 0.41 0.00 0.00 0.00 175.76 174.65 2bx3 n GLY 71 N 5.13 4.18 0.71 0.00 0.00 -1.26 -1.14 105.19 112.81 2bx3 n GLY 71 Ca -0.12 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2bx3 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bx3 n ASN 72 N 8.55 2.65 -4.65 1.61 3.02 -1.26 -4.93 115.26 120.24 2bx3 n ASN 72 Ca 0.00 -1.77 -0.38 0.00 -0.03 0.00 0.00 54.58 52.40 2bx3 n ASN 72 Cb 0.00 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 38.97 2bx3 n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bx3 s VAL 73 N -1.17 5.23 0.10 2.41 1.01 -0.29 -5.03 120.40 122.66 2bx3 s VAL 73 Ca 0.23 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 2bx3 s VAL 73 Cb 0.14 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 2bx3 s VAL 73 CO 0.20 0.25 1.02 -1.58 0.00 0.00 0.00 175.10 174.99 2bx3 s GLN 74 N 1.43 4.62 -0.21 2.72 0.74 -1.26 -0.80 119.66 126.89 2bx3 s GLN 74 Ca 0.16 1.54 -0.07 0.00 0.05 0.00 0.00 55.36 57.03 2bx3 s GLN 74 Cb -0.15 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2bx3 s GLN 74 CO 0.08 0.08 0.06 -0.51 -0.55 0.00 0.00 175.29 174.45 2bx3 s LEU 75 N 0.22 3.62 -0.03 3.68 1.43 0.40 -4.95 118.68 123.06 2bx3 s LEU 75 Ca 0.50 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 2bx3 s LEU 75 Cb -0.25 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2bx3 s LEU 75 CO 0.31 0.07 1.01 -0.60 0.23 0.00 0.00 176.35 177.37 2bx3 s ARG 76 N 0.96 4.51 0.11 1.70 3.52 -1.26 -4.11 118.95 124.37 2bx3 s ARG 76 Ca 0.04 1.45 -0.23 0.00 -0.13 0.00 0.00 55.73 56.86 2bx3 s ARG 76 Cb -0.14 -3.48 -0.07 0.00 -1.56 0.00 0.00 34.95 29.70 2bx3 s ARG 76 CO 0.03 -0.15 0.69 0.08 -0.81 0.00 0.00 175.30 175.14 2bx3 s VAL 77 N 1.32 4.58 0.00 7.11 1.01 -1.26 -1.31 120.40 131.85 2bx3 s VAL 77 Ca 0.52 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.00 2bx3 s VAL 77 Cb -0.21 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2bx3 s VAL 77 CO 0.25 0.51 0.35 2.30 0.00 0.00 0.00 175.10 178.51 2bx3 n ILE 78 N 1.88 0.09 -3.57 2.22 -5.35 0.13 -4.67 119.36 110.10 2bx3 n ILE 78 Ca -0.07 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.00 2bx3 n ILE 78 Cb 0.50 1.34 -0.04 0.00 -1.74 0.00 0.00 39.64 39.69 2bx3 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2bx3 s GLY 79 N -0.09 -0.29 0.01 3.28 0.00 -1.21 -4.96 107.32 104.06 2bx3 s GLY 79 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 44.72 46.56 2bx3 s GLY 79 CO 0.00 0.87 -0.01 -2.38 0.00 0.00 0.00 173.10 171.57 2bx3 s HIS 80 N -1.57 0.13 0.23 1.90 -3.43 -1.26 -0.89 115.29 110.40 2bx3 s HIS 80 Ca 0.01 -0.14 -0.04 0.00 -0.80 0.00 0.00 55.06 54.09 2bx3 s HIS 80 Cb -0.01 -0.09 -0.03 0.00 -1.43 0.00 0.00 32.58 31.03 2bx3 s HIS 80 CO -0.01 -0.04 0.26 -1.54 -2.00 0.00 0.00 174.74 171.40 2bx3 s SER 81 N -0.38 0.24 -0.08 7.38 1.04 -0.51 -5.01 113.70 116.38 2bx3 s SER 81 Ca -0.04 -1.30 -0.00 0.00 0.48 0.00 0.00 55.95 55.09 2bx3 s SER 81 Cb -0.03 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 2bx3 s SER 81 CO -0.00 -0.96 -0.04 -0.32 0.98 0.00 0.00 173.24 172.89 2bx3 s MET 82 N -4.00 2.84 -0.28 4.02 1.75 -1.26 -1.14 119.30 121.23 2bx3 s MET 82 Ca 0.34 -0.49 0.00 0.00 -1.25 0.00 0.00 55.69 54.29 2bx3 s MET 82 Cb 0.04 -2.67 0.08 0.00 2.84 0.00 0.00 34.83 35.13 2bx3 s MET 82 CO 0.13 0.68 0.05 -1.14 -0.65 0.00 0.00 175.02 174.08 2bx3 s GLN 83 N -0.83 1.04 4.06 4.11 0.74 0.34 -4.87 119.66 124.25 2bx3 s GLN 83 Ca 0.13 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 54.44 2bx3 s GLN 83 Cb -0.11 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.65 2bx3 s GLN 83 CO 0.02 -0.84 0.00 0.09 -0.55 0.00 0.00 175.29 174.01 2bx3 n ASN 84 N 4.74 0.00 -1.55 6.67 3.02 -1.26 -0.30 115.26 126.57 2bx3 n ASN 84 Ca -0.04 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.60 2bx3 n ASN 84 Cb 0.43 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.95 2bx3 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bx3 s LEU 86 N -1.69 3.30 -0.07 0.00 1.43 0.58 -1.92 118.68 120.30 2bx3 s LEU 86 Ca 0.50 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 2bx3 s LEU 86 Cb 0.31 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 2bx3 s LEU 86 CO 0.26 0.12 0.47 -0.76 0.23 0.00 0.00 176.35 176.66 2bx3 s LEU 87 N -2.73 4.35 -0.40 1.79 1.43 0.35 0.13 118.68 123.59 2bx3 s LEU 87 Ca 0.26 0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 54.16 2bx3 s LEU 87 Cb -0.10 -2.68 0.06 0.00 0.03 0.00 0.00 46.19 43.50 2bx3 s LEU 87 CO 0.18 0.11 0.23 -0.13 0.23 0.00 0.00 176.35 176.97 2bx3 s ARG 88 N 0.03 2.65 -0.18 1.70 0.52 -0.29 -2.01 118.95 121.36 2bx3 s ARG 88 Ca 0.26 -1.35 -0.17 0.00 -0.52 0.00 0.00 55.73 53.95 2bx3 s ARG 88 Cb -0.16 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 2bx3 s ARG 88 CO 0.12 -0.86 0.45 -0.51 0.02 0.00 0.00 175.30 174.51 2bx3 s LEU 89 N 1.45 4.18 -0.18 2.53 1.43 0.10 -1.43 118.68 126.76 2bx3 s LEU 89 Ca 0.02 0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 53.49 2bx3 s LEU 89 Cb -0.22 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 2bx3 s LEU 89 CO 0.03 -0.08 0.87 -0.54 0.23 0.00 0.00 176.35 176.87 2bx3 s LYS 90 N 1.21 4.29 0.40 1.70 -0.14 -0.07 -0.57 119.74 126.56 2bx3 s LYS 90 Ca 0.22 1.09 0.08 0.00 -1.36 0.00 0.00 55.97 55.99 2bx3 s LYS 90 Cb -0.15 -3.59 -0.05 0.00 -1.68 0.00 0.00 37.83 32.36 2bx3 s LYS 90 CO 0.09 -0.39 0.20 0.14 -0.76 0.00 0.00 175.35 174.62 2bx3 s VAL 91 N 2.37 2.44 -2.44 3.17 -7.23 0.90 0.20 120.40 119.81 2bx3 s VAL 91 Ca 0.39 -1.66 0.24 0.00 -1.81 0.00 0.00 61.98 59.14 2bx3 s VAL 91 Cb -0.16 -2.99 0.45 0.00 0.56 0.00 0.00 36.38 34.24 2bx3 s VAL 91 CO 0.11 -0.03 1.56 -0.90 -0.31 0.00 0.00 175.10 175.53 2bx3 n ASP 92 N -1.26 1.99 -3.89 4.85 5.75 -0.43 -4.80 116.55 118.76 2bx3 n ASP 92 Ca -0.01 -1.72 -0.17 0.00 -0.01 0.00 0.00 54.79 52.88 2bx3 n ASP 92 Cb 0.64 -0.08 -0.15 0.00 -1.03 0.00 0.00 41.12 40.49 2bx3 n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2bx3 s THR 93 N -1.83 0.36 0.11 2.12 2.01 -1.26 -5.02 115.64 112.13 2bx3 s THR 93 Ca 0.34 -0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 2bx3 s THR 93 Cb 0.19 -0.37 -0.07 0.00 0.01 0.00 0.00 72.50 72.26 2bx3 s THR 93 CO 0.29 0.15 0.80 -0.44 -0.69 0.00 0.00 174.62 174.74 2bx3 s SER 94 N 0.53 7.34 -0.08 3.53 0.01 -1.26 -4.47 113.70 119.30 2bx3 s SER 94 Ca -0.06 1.59 -0.30 0.00 1.31 0.00 0.00 55.95 58.50 2bx3 s SER 94 Cb -0.09 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2bx3 s SER 94 CO -0.01 0.09 1.69 0.21 0.41 0.00 0.00 173.24 175.64 2bx3 s ASN 95 N -0.55 6.56 0.00 2.44 3.84 0.85 -4.83 114.94 123.25 2bx3 s ASN 95 Ca 0.38 2.16 0.13 0.00 0.21 0.00 0.00 52.86 55.75 2bx3 s ASN 95 Cb -0.22 -2.53 0.60 0.00 -0.55 0.00 0.00 41.25 38.55 2bx3 s ASN 95 CO 0.25 -1.02 1.41 -0.81 -2.79 0.00 0.00 177.10 174.15 2bx3 n PRO 96 N 7.30 0.05 -0.35 0.43 -0.04 -1.26 -1.76 135.00 139.36 2bx3 n PRO 96 Ca 0.18 0.24 0.09 0.00 -0.04 0.00 0.00 63.50 63.97 2bx3 n PRO 96 Cb 0.43 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.65 2bx3 n PRO 96 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bx3 n LYS 97 N -1.45 3.02 -1.72 0.54 5.02 -1.26 -4.97 118.16 117.34 2bx3 n LYS 97 Ca 0.04 -2.48 -0.42 0.00 -2.02 0.00 0.00 58.31 53.43 2bx3 n LYS 97 Cb 0.15 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 2bx3 n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2bx3 s THR 98 N -1.34 2.85 0.85 -0.18 2.01 -0.72 -4.74 115.64 114.38 2bx3 s THR 98 Ca 0.39 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.36 2bx3 s THR 98 Cb 0.22 -3.05 0.15 0.00 0.01 0.00 0.00 72.50 69.83 2bx3 s THR 98 CO 0.22 -0.00 1.19 -2.16 -0.69 0.00 0.00 174.62 173.17 2bx3 s PRO 99 N 3.69 1.24 0.02 4.92 0.04 -1.26 -5.01 135.00 138.64 2bx3 s PRO 99 Ca 0.84 -0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 2bx3 s PRO 99 Cb -0.43 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 2bx3 s PRO 99 CO 0.39 -1.93 1.58 0.21 0.04 0.00 0.00 177.00 177.28 2bx3 s LYS 100 N -5.59 4.22 0.07 4.56 2.20 -1.26 -4.97 119.74 118.97 2bx3 s LYS 100 Ca 0.69 2.19 -0.01 0.00 -0.36 0.00 0.00 55.97 58.48 2bx3 s LYS 100 Cb -0.06 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2bx3 s LYS 100 CO 0.49 -0.71 -0.00 1.52 -0.36 0.00 0.00 175.35 176.29 2bx3 s TYR 101 N 2.87 0.59 0.24 4.03 1.13 -1.26 -0.06 117.35 124.89 2bx3 s TYR 101 Ca 0.71 -1.09 -0.02 0.00 -1.41 0.00 0.00 57.07 55.26 2bx3 s TYR 101 Cb -0.36 -0.40 -0.03 0.00 -1.10 0.00 0.00 41.96 40.07 2bx3 s TYR 101 CO 0.30 -0.42 0.24 -1.59 -2.51 0.00 0.00 175.55 171.57 2bx3 s LYS 102 N -3.95 1.42 -0.16 -3.49 -2.85 0.27 -4.88 119.74 106.09 2bx3 s LYS 102 Ca 0.11 -1.65 -0.03 0.00 -1.00 0.00 0.00 55.97 53.40 2bx3 s LYS 102 Cb 0.08 0.33 -0.02 0.00 -2.06 0.00 0.00 37.83 36.15 2bx3 s LYS 102 CO -0.07 -0.51 -0.05 -0.06 0.10 0.00 0.00 175.35 174.76 2bx3 s PHE 103 N -3.91 3.00 0.01 1.78 0.08 -1.26 -1.49 117.98 116.18 2bx3 s PHE 103 Ca 0.36 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 57.09 2bx3 s PHE 103 Cb 0.04 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2bx3 s PHE 103 CO 0.15 -0.09 -0.18 0.14 -0.10 0.00 0.00 175.22 175.14 2bx3 s VAL 104 N 0.44 1.43 -0.27 -0.44 -7.23 -0.24 -4.95 120.40 109.14 2bx3 s VAL 104 Ca -0.04 -0.91 -0.23 0.00 -1.81 0.00 0.00 61.98 58.98 2bx3 s VAL 104 Cb -0.14 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 2bx3 s VAL 104 CO 0.03 0.29 0.78 -0.60 -0.31 0.00 0.00 175.10 175.29 2bx3 s ARG 105 N -0.73 4.09 0.60 4.82 3.52 -1.26 -4.10 118.95 125.89 2bx3 s ARG 105 Ca 0.06 0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 56.37 2bx3 s ARG 105 Cb -0.07 -3.68 0.03 0.00 -1.56 0.00 0.00 34.95 29.66 2bx3 s ARG 105 CO 0.00 -0.56 0.89 0.96 -0.81 0.00 0.00 175.30 175.79 2bx3 s ILE 106 N 2.83 3.17 0.17 4.11 -4.36 -1.26 -5.10 121.20 120.76 2bx3 s ILE 106 Ca 0.33 -0.21 0.04 0.00 -0.26 0.00 0.00 60.65 60.54 2bx3 s ILE 106 Cb -0.15 -3.27 -0.04 0.00 1.25 0.00 0.00 42.46 40.26 2bx3 s ILE 106 CO 0.09 -0.26 0.24 -1.10 0.24 0.00 0.00 174.94 174.16 2bx3 s GLN 107 N -4.99 3.25 0.44 0.37 -1.52 -1.26 -5.04 119.66 110.91 2bx3 s GLN 107 Ca 0.56 -0.72 -0.25 0.00 -1.95 0.00 0.00 55.36 53.00 2bx3 s GLN 107 Cb -0.11 -2.84 -0.09 0.00 -0.22 0.00 0.00 33.01 29.75 2bx3 s GLN 107 CO 0.43 0.50 1.28 -2.30 -0.25 0.00 0.00 175.29 174.95 2bx3 n PRO 108 N -0.60 1.92 0.00 2.91 -0.02 -1.26 -2.01 135.00 135.94 2bx3 n PRO 108 Ca -0.08 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2bx3 n PRO 108 Cb 0.55 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2bx3 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bx3 n GLY 109 N 0.80 3.29 3.88 -1.23 0.00 0.57 -4.92 105.19 107.59 2bx3 n GLY 109 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2bx3 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bx3 s GLN 110 N -0.62 3.59 0.28 1.61 -0.21 -0.85 -4.73 119.66 118.72 2bx3 s GLN 110 Ca 0.00 0.53 0.08 0.00 0.02 0.00 0.00 55.36 55.99 2bx3 s GLN 110 Cb 0.00 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.76 2bx3 s GLN 110 CO 0.00 -0.40 0.14 0.95 -2.12 0.00 0.00 175.29 173.86 2bx3 s THR 111 N -2.97 3.82 0.12 -0.19 -4.23 -1.26 -0.73 115.64 110.20 2bx3 s THR 111 Ca 0.52 -1.59 -0.26 0.00 -1.18 0.00 0.00 61.69 59.18 2bx3 s THR 111 Cb -0.11 -3.15 0.07 0.00 1.34 0.00 0.00 72.50 70.66 2bx3 s THR 111 CO 0.49 -0.31 0.95 0.72 -0.54 0.00 0.00 174.62 175.93 2bx3 s PHE 112 N -2.26 -0.17 -0.03 3.99 -0.71 -0.27 -4.89 117.98 113.64 2bx3 s PHE 112 Ca 0.34 -0.10 -0.03 0.00 -1.04 0.00 0.00 56.93 56.10 2bx3 s PHE 112 Cb -0.06 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 2bx3 s PHE 112 CO 0.23 -0.77 0.14 -1.12 -1.34 0.00 0.00 175.22 172.37 2bx3 s SER 113 N -2.86 6.17 -0.11 1.98 0.01 0.96 -1.14 113.70 118.71 2bx3 s SER 113 Ca 0.11 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.72 2bx3 s SER 113 Cb -0.01 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2bx3 s SER 113 CO -0.00 0.30 -0.23 -0.69 0.41 0.00 0.00 173.24 173.03 2bx3 s VAL 114 N -1.22 2.03 -0.56 3.43 1.01 0.78 0.42 120.40 126.30 2bx3 s VAL 114 Ca 0.23 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 2bx3 s VAL 114 Cb -0.12 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.58 2bx3 s VAL 114 CO 0.14 0.55 0.65 -0.22 0.00 0.00 0.00 175.10 176.22 2bx3 s LEU 115 N 0.54 5.41 0.01 3.92 2.96 -0.84 -1.86 118.68 128.82 2bx3 s LEU 115 Ca -0.14 -1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 52.11 2bx3 s LEU 115 Cb -0.17 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2bx3 s LEU 115 CO 0.04 -1.01 1.15 0.00 -1.32 0.00 0.00 176.35 175.21 2bx3 s ALA 116 N 2.49 3.37 0.15 5.97 0.00 0.47 -4.09 121.76 130.12 2bx3 s ALA 116 Ca 0.11 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.86 2bx3 s ALA 116 Cb -0.24 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2bx3 s ALA 116 CO 0.07 -0.49 -0.18 0.00 0.00 0.00 0.00 175.76 175.17 2bx3 s TYR 118 N -2.03 2.47 -1.28 0.00 2.02 0.10 -4.25 117.35 114.38 2bx3 s TYR 118 Ca 0.14 -1.57 -0.24 0.00 -0.37 0.00 0.00 57.07 55.03 2bx3 s TYR 118 Cb -0.06 -1.68 0.03 0.00 -0.40 0.00 0.00 41.96 39.85 2bx3 s TYR 118 CO 0.06 -0.74 0.56 0.09 -1.57 0.00 0.00 175.55 173.94 2bx3 n ASN 119 N 4.68 -3.14 0.00 2.29 3.02 -1.26 -1.72 115.26 119.12 2bx3 n ASN 119 Ca -0.16 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 2bx3 n ASN 119 Cb 0.47 -2.02 0.00 0.00 -0.61 0.00 0.00 39.78 37.62 2bx3 n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bx3 n GLY 120 N -2.11 1.27 3.56 7.41 0.00 -1.25 -4.63 105.19 109.44 2bx3 n GLY 120 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2bx3 n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bx3 s SER 121 N -3.08 6.34 0.23 1.61 1.04 -0.70 -4.46 113.70 114.67 2bx3 s SER 121 Ca 0.00 0.01 -0.31 0.00 0.48 0.00 0.00 55.95 56.13 2bx3 s SER 121 Cb 0.00 -2.28 -0.12 0.00 0.10 0.00 0.00 66.02 63.72 2bx3 s SER 121 CO 0.00 -0.50 1.69 -2.84 0.98 0.00 0.00 173.24 172.57 2bx3 s PRO 122 N 2.45 4.12 0.00 4.02 0.02 -1.26 0.03 135.00 144.38 2bx3 s PRO 122 Ca 0.20 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.82 2bx3 s PRO 122 Cb -0.15 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2bx3 s PRO 122 CO 0.14 -0.72 0.00 -1.13 -0.33 0.00 0.00 177.00 174.95 2bx3 n SER 123 N 3.56 4.76 -3.61 2.53 3.41 -0.02 -4.90 113.62 119.34 2bx3 n SER 123 Ca 0.14 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.76 2bx3 n SER 123 Cb 0.36 0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 65.02 2bx3 n SER 123 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bx3 s GLY 124 N -2.38 -0.41 -0.00 5.00 0.00 -1.12 -5.01 107.32 103.39 2bx3 s GLY 124 Ca 0.00 0.80 0.04 0.00 0.00 0.00 0.00 44.72 45.56 2bx3 s GLY 124 CO 0.00 0.17 -0.12 0.54 0.00 0.00 0.00 173.10 173.68 2bx3 s VAL 125 N -2.40 0.98 0.06 1.40 0.11 -1.26 -0.40 120.40 118.89 2bx3 s VAL 125 Ca 0.14 -0.61 -0.05 0.00 -2.93 0.00 0.00 61.98 58.54 2bx3 s VAL 125 Cb 0.04 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2bx3 s VAL 125 CO -0.04 0.22 0.07 -0.72 -3.33 0.00 0.00 175.10 171.30 2bx3 s TYR 126 N -0.39 0.31 -0.14 1.54 -0.85 -0.78 -4.97 117.35 112.08 2bx3 s TYR 126 Ca 0.04 -0.74 -0.05 0.00 -0.52 0.00 0.00 57.07 55.80 2bx3 s TYR 126 Cb -0.05 -0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 2bx3 s TYR 126 CO -0.00 -0.42 0.04 -1.14 -1.52 0.00 0.00 175.55 172.51 2bx3 s GLN 127 N -3.43 3.51 0.34 -3.49 2.00 -1.26 -0.16 119.66 117.17 2bx3 s GLN 127 Ca 0.02 -0.36 -0.02 0.00 -2.00 0.00 0.00 55.36 53.00 2bx3 s GLN 127 Cb 0.04 -3.02 0.00 0.00 0.80 0.00 0.00 33.01 30.83 2bx3 s GLN 127 CO -0.08 0.49 0.47 0.00 -0.50 0.00 0.00 175.29 175.67 2bx3 s ALA 129 N -3.08 2.17 -0.08 0.00 0.00 -1.26 -1.12 121.76 118.39 2bx3 s ALA 129 Ca 0.31 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 2bx3 s ALA 129 Cb -0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.73 2bx3 s ALA 129 CO 0.20 0.48 1.73 1.41 0.00 0.00 0.00 175.76 179.58 2bx3 s MET 130 N -1.98 4.04 0.63 0.00 1.75 0.09 -4.58 119.30 119.24 2bx3 s MET 130 Ca 0.11 2.15 -0.16 0.00 -1.25 0.00 0.00 55.69 56.54 2bx3 s MET 130 Cb -0.10 -4.05 -0.02 0.00 2.84 0.00 0.00 34.83 33.51 2bx3 s MET 130 CO 0.05 -1.02 1.11 1.03 -0.65 0.00 0.00 175.02 175.54 2bx3 s ARG 131 N 4.36 2.96 0.60 4.11 1.81 -0.01 -0.32 118.95 132.47 2bx3 s ARG 131 Ca 0.77 1.44 0.28 0.00 -1.72 0.00 0.00 55.73 56.50 2bx3 s ARG 131 Cb -0.33 -1.97 1.43 0.00 -0.45 0.00 0.00 34.95 33.63 2bx3 s ARG 131 CO 0.32 -1.13 1.83 -1.35 -0.68 0.00 0.00 175.30 174.29 2bx3 h PRO 132 N 0.34 0.00 -0.55 3.54 0.11 -1.89 0.04 132.00 133.59 2bx3 h PRO 132 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bx3 h PRO 132 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2bx3 h PRO 132 CO 0.55 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.61 2bx3 n ASN 133 N -3.57 3.04 -0.82 -2.05 6.94 -1.26 -4.92 115.26 112.62 2bx3 n ASN 133 Ca 0.09 -2.14 -0.08 0.00 -0.02 0.00 0.00 54.58 52.44 2bx3 n ASN 133 Cb 0.73 -0.40 -0.01 0.00 -2.36 0.00 0.00 39.78 37.74 2bx3 n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2bx3 n HIS 134 N 0.87 -0.30 -4.63 -2.53 8.25 0.00 -4.57 115.22 112.31 2bx3 n HIS 134 Ca 0.17 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.35 2bx3 n HIS 134 Cb 0.53 -2.00 -0.10 0.00 1.12 0.00 0.00 29.99 29.55 2bx3 n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2bx3 s THR 135 N -2.36 1.47 -0.06 1.59 -4.23 -1.26 -4.52 115.64 106.27 2bx3 s THR 135 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2bx3 s THR 135 Cb 0.00 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2bx3 s THR 135 CO 0.00 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.27 2bx3 s ILE 136 N -2.90 1.56 0.10 2.99 1.01 -0.46 -0.83 121.20 122.67 2bx3 s ILE 136 Ca 0.25 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 2bx3 s ILE 136 Cb 0.06 -1.36 -0.24 0.00 0.01 0.00 0.00 42.46 40.94 2bx3 s ILE 136 CO 0.13 0.45 1.22 0.11 0.00 0.00 0.00 174.94 176.84 2bx3 h LYS 137 N 6.52 0.30 0.00 2.79 1.57 -1.88 -0.12 116.57 125.75 2bx3 h LYS 137 Ca -0.29 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 2bx3 h LYS 137 Cb 1.19 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2bx3 h LYS 137 CO 0.47 1.15 0.00 0.41 -0.57 0.00 0.00 179.45 180.92 2bx3 n GLY 138 N 1.28 0.60 2.16 3.86 0.00 -1.26 -4.75 105.19 107.07 2bx3 n GLY 138 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2bx3 n GLY 138 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bx3 n SER 139 N 0.00 0.56 -0.00 1.61 2.88 -1.26 -3.59 113.62 113.82 2bx3 n SER 139 Ca 0.00 -1.34 0.01 0.00 -1.33 0.00 0.00 58.87 56.21 2bx3 n SER 139 Cb 0.00 -0.13 -0.01 0.00 -0.75 0.00 0.00 64.21 63.32 2bx3 n SER 139 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2bx3 n PHE 140 N 2.37 0.00 1.53 0.66 0.99 -1.26 -4.70 117.46 117.05 2bx3 n PHE 140 Ca 0.02 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.61 2bx3 n PHE 140 Cb 0.07 -0.01 0.77 0.00 -1.00 0.00 0.00 39.48 39.31 2bx3 n PHE 140 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2bx3 n LEU 141 N -1.16 0.00 -2.06 4.37 4.77 -1.24 -4.68 117.00 117.00 2bx3 n LEU 141 Ca 0.00 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 2bx3 n LEU 141 Cb 0.03 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 2bx3 n LEU 141 CO 0.04 -0.01 0.98 0.59 -1.33 0.00 0.00 177.39 177.66 2bx3 n ASN 142 N -1.16 -0.33 0.00 -1.43 5.03 -1.26 -1.25 115.26 114.85 2bx3 n ASN 142 Ca 0.17 -0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.51 2bx3 n ASN 142 Cb 0.17 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 2bx3 n ASN 142 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bx3 n GLY 143 N 2.71 0.41 1.97 7.41 0.00 -1.26 -4.90 105.19 111.54 2bx3 n GLY 143 Ca 0.31 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2bx3 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bx3 n SER 144 N 1.80 3.17 -4.54 1.61 3.41 -0.38 -4.66 113.62 114.03 2bx3 n SER 144 Ca 0.00 -3.15 -0.42 0.00 -0.26 0.00 0.00 58.87 55.04 2bx3 n SER 144 Cb 0.00 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 63.55 2bx3 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bx3 n GLY 146 N 1.47 3.15 3.71 0.00 0.00 0.50 -2.16 105.19 111.87 2bx3 n GLY 146 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2bx3 n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bx3 n SER 147 N 0.00 1.78 -4.29 1.61 7.64 -0.29 -4.51 113.62 115.56 2bx3 n SER 147 Ca 0.00 0.77 -0.24 0.00 1.01 0.00 0.00 58.87 60.42 2bx3 n SER 147 Cb 0.00 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 61.54 2bx3 n SER 147 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2bx3 s VAL 148 N -1.55 1.74 -0.03 0.44 -7.23 -1.26 -1.18 120.40 111.34 2bx3 s VAL 148 Ca 0.81 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 2bx3 s VAL 148 Cb -0.36 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2bx3 s VAL 148 CO 0.43 -0.08 0.02 -0.83 -0.31 0.00 0.00 175.10 174.33 2bx3 s GLY 149 N -1.98 1.90 0.19 2.32 0.00 0.12 -1.99 107.32 107.88 2bx3 s GLY 149 Ca 0.07 -0.89 -0.17 0.00 0.00 0.00 0.00 44.72 43.73 2bx3 s GLY 149 CO 0.04 -0.73 0.51 -0.11 0.00 0.00 0.00 173.10 172.81 2bx3 s PHE 150 N -1.06 -0.12 0.17 1.90 -0.71 0.17 -0.06 117.98 118.27 2bx3 s PHE 150 Ca 0.19 -0.22 0.09 0.00 -1.04 0.00 0.00 56.93 55.95 2bx3 s PHE 150 Cb -0.12 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 2bx3 s PHE 150 CO 0.09 -0.89 -0.20 -0.80 -1.34 0.00 0.00 175.22 172.08 2bx3 s ASN 151 N -2.87 2.86 -0.11 1.98 0.01 -0.41 -0.02 114.94 116.38 2bx3 s ASN 151 Ca 0.09 -0.86 0.01 0.00 -0.71 0.00 0.00 52.86 51.38 2bx3 s ASN 151 Cb -0.01 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.49 2bx3 s ASN 151 CO -0.04 0.00 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.81 2bx3 s ILE 152 N -1.96 1.26 -0.41 0.60 1.01 -1.26 -0.67 121.20 119.76 2bx3 s ILE 152 Ca 0.17 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 2bx3 s ILE 152 Cb -0.06 -1.20 0.09 0.00 0.01 0.00 0.00 42.46 41.30 2bx3 s ILE 152 CO 0.07 0.40 0.23 -0.62 0.00 0.00 0.00 174.94 175.02 2bx3 s ASP 153 N 1.29 5.44 0.00 3.58 3.68 -0.55 -4.97 116.67 125.14 2bx3 s ASP 153 Ca -0.02 -1.72 0.00 0.00 2.13 0.00 0.00 52.55 52.94 2bx3 s ASP 153 Cb -0.14 -1.91 0.00 0.00 -1.45 0.00 0.00 42.92 39.42 2bx3 s ASP 153 CO -0.05 -0.54 0.00 0.00 0.13 0.00 0.00 175.17 174.72 2bx3 n TYR 154 N 4.78 0.00 0.62 -5.34 9.36 -1.26 -0.46 117.16 124.87 2bx3 n TYR 154 Ca -0.07 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.21 2bx3 n TYR 154 Cb 0.42 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.10 2bx3 n TYR 154 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 2bx3 n ASP 155 N 1.21 1.13 -4.60 2.98 5.75 -1.26 -5.01 116.55 116.74 2bx3 n ASP 155 Ca 0.00 -1.06 -0.34 0.00 -0.01 0.00 0.00 54.79 53.37 2bx3 n ASP 155 Cb 0.00 0.69 -0.10 0.00 -1.03 0.00 0.00 41.12 40.67 2bx3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bx3 s VAL 157 N 0.13 5.10 -0.48 0.00 1.01 0.91 -1.47 120.40 125.60 2bx3 s VAL 157 Ca 0.02 0.78 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 2bx3 s VAL 157 Cb -0.13 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.58 2bx3 s VAL 157 CO 0.01 0.11 0.36 -0.44 0.00 0.00 0.00 175.10 175.14 2bx3 s SER 158 N 1.57 5.76 0.09 3.32 0.01 0.15 -0.57 113.70 124.03 2bx3 s SER 158 Ca 0.19 -1.87 -0.31 0.00 1.31 0.00 0.00 55.95 55.28 2bx3 s SER 158 Cb -0.16 -2.03 -0.06 0.00 0.21 0.00 0.00 66.02 63.98 2bx3 s SER 158 CO 0.09 -0.70 1.23 -0.36 0.41 0.00 0.00 173.24 173.91 2bx3 s PHE 159 N 1.39 3.41 0.00 2.43 0.08 -0.55 -1.28 117.98 123.45 2bx3 s PHE 159 Ca 0.05 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.36 2bx3 s PHE 159 Cb -0.26 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 2bx3 s PHE 159 CO -0.00 -1.45 0.00 0.00 -0.10 0.00 0.00 175.22 173.67 2bx3 s TYR 161 N -0.52 -0.11 -0.07 0.00 5.04 -1.09 -4.22 117.35 116.40 2bx3 s TYR 161 Ca 0.00 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 2bx3 s TYR 161 Cb 0.00 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.35 2bx3 s TYR 161 CO 0.00 -0.16 -0.07 1.41 -1.34 0.00 0.00 175.55 175.38 2bx3 s MET 162 N -0.44 1.24 0.08 4.97 -2.45 0.25 0.16 119.30 123.12 2bx3 s MET 162 Ca -0.05 -0.22 -0.31 0.00 -1.25 0.00 0.00 55.69 53.86 2bx3 s MET 162 Cb -0.04 -1.18 -0.06 0.00 1.25 0.00 0.00 34.83 34.80 2bx3 s MET 162 CO 0.01 -0.09 1.25 -1.58 1.05 0.00 0.00 175.02 175.65 2bx3 s HIS 163 N 1.05 3.39 -0.05 4.11 2.46 -0.32 -1.36 115.29 124.57 2bx3 s HIS 163 Ca -0.08 1.22 -0.02 0.00 0.47 0.00 0.00 55.06 56.65 2bx3 s HIS 163 Cb -0.14 -3.49 -0.02 0.00 -0.13 0.00 0.00 32.58 28.80 2bx3 s HIS 163 CO -0.00 -1.55 -0.06 0.72 -2.47 0.00 0.00 174.74 171.38 2bx3 n HIS 164 N 3.82 0.00 -4.08 3.88 8.25 -0.73 -0.37 115.22 125.99 2bx3 n HIS 164 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 2bx3 n HIS 164 Cb 0.45 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 2bx3 n HIS 164 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2bx3 s MET 165 N -2.09 0.58 -0.20 -0.41 -1.94 -0.82 -4.88 119.30 109.55 2bx3 s MET 165 Ca -0.06 -0.94 -0.14 0.00 -1.71 0.00 0.00 55.69 52.83 2bx3 s MET 165 Cb 0.02 -0.12 -0.04 0.00 2.01 0.00 0.00 34.83 36.70 2bx3 s MET 165 CO 0.09 -0.01 0.32 -2.00 -0.01 0.00 0.00 175.02 173.40 2bx3 s GLU 166 N -2.47 4.18 0.79 2.03 2.12 -1.26 -1.62 118.70 122.47 2bx3 s GLU 166 Ca -0.03 0.07 -0.12 0.00 0.36 0.00 0.00 54.97 55.26 2bx3 s GLU 166 Cb -0.04 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.92 2bx3 s GLU 166 CO -0.03 0.07 1.16 -0.51 -0.54 0.00 0.00 175.26 175.41 2bx3 s LEU 167 N 1.00 2.58 0.34 2.70 1.43 -0.38 -4.95 118.68 121.40 2bx3 s LEU 167 Ca 0.16 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 2bx3 s LEU 167 Cb -0.14 -3.37 0.67 0.00 0.03 0.00 0.00 46.19 43.39 2bx3 s LEU 167 CO 0.06 -1.80 1.93 -0.65 0.23 0.00 0.00 176.35 176.12 2bx3 h PRO 168 N -0.97 0.82 0.00 1.29 0.11 -1.88 0.16 132.00 131.53 2bx3 h PRO 168 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bx3 h PRO 168 Cb 1.32 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bx3 h PRO 168 CO 0.65 0.54 0.00 0.25 -0.21 0.00 0.00 178.00 179.24 2bx3 n THR 169 N -4.50 0.55 -1.00 -1.15 -2.24 -1.26 -4.87 114.28 99.81 2bx3 n THR 169 Ca 0.13 0.14 -0.00 0.00 -2.27 0.00 0.00 64.05 62.05 2bx3 n THR 169 Cb 0.25 -0.91 -0.00 0.00 -2.10 0.00 0.00 70.33 67.58 2bx3 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bx3 n GLY 170 N -0.09 0.48 3.91 3.38 0.00 0.56 -5.06 105.19 108.36 2bx3 n GLY 170 Ca 0.07 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2bx3 n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bx3 s VAL 171 N -1.96 3.25 -0.01 1.61 -7.23 -1.25 -4.81 120.40 109.99 2bx3 s VAL 171 Ca 0.00 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2bx3 s VAL 171 Cb 0.00 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.56 2bx3 s VAL 171 CO 0.00 -0.40 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.37 2bx3 s HIS 172 N -3.18 3.01 0.07 2.82 0.09 -0.06 -1.25 115.29 116.79 2bx3 s HIS 172 Ca 0.57 0.05 0.06 0.00 -0.00 0.00 0.00 55.06 55.74 2bx3 s HIS 172 Cb -0.11 -1.66 -0.03 0.00 -0.00 0.00 0.00 32.58 30.78 2bx3 s HIS 172 CO 0.47 0.43 -0.16 0.00 -0.00 0.00 0.00 174.74 175.47 2bx3 s ALA 173 N -1.02 1.38 0.06 -1.40 0.00 -0.64 -1.35 121.76 118.79 2bx3 s ALA 173 Ca 0.18 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 2bx3 s ALA 173 Cb -0.11 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2bx3 s ALA 173 CO 0.08 0.24 0.44 0.41 0.00 0.00 0.00 175.76 176.93 2bx3 n GLY 174 N 1.37 0.92 3.52 0.00 0.00 -1.26 -1.78 105.19 107.96 2bx3 n GLY 174 Ca -0.20 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 2bx3 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bx3 s THR 175 N -2.32 1.71 0.96 2.61 -4.23 -0.46 -0.85 115.64 113.05 2bx3 s THR 175 Ca 0.10 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.41 2bx3 s THR 175 Cb -0.01 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.25 2bx3 s THR 175 CO 0.02 -0.08 1.31 1.51 -0.54 0.00 0.00 174.62 176.84 2bx3 s ASP 176 N -3.58 3.08 0.00 3.99 1.47 -0.87 0.88 116.67 121.63 2bx3 s ASP 176 Ca 0.34 0.16 0.13 0.00 1.18 0.00 0.00 52.55 54.36 2bx3 s ASP 176 Cb 0.08 -0.18 0.59 0.00 -0.34 0.00 0.00 42.92 43.07 2bx3 s ASP 176 CO 0.16 -2.75 1.40 0.18 0.68 0.00 0.00 175.17 174.85 2bx3 n LEU 177 N -3.74 0.65 -0.77 2.11 7.99 -1.26 -1.34 117.00 120.65 2bx3 n LEU 177 Ca 0.16 -0.30 0.12 0.00 -0.01 0.00 0.00 56.01 55.99 2bx3 n LEU 177 Cb 0.59 -0.06 0.31 0.00 -0.11 0.00 0.00 43.42 44.16 2bx3 n LEU 177 CO 0.44 0.15 0.75 -0.62 -1.51 0.00 0.00 177.39 176.60 2bx3 n GLU 178 N -0.27 2.03 -0.78 3.23 -0.58 -1.26 -4.97 120.64 118.04 2bx3 n GLU 178 Ca 0.10 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.32 2bx3 n GLU 178 Cb 0.14 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2bx3 n GLU 178 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bx3 n GLY 179 N 1.28 0.60 3.66 0.62 0.00 -0.45 -4.20 105.19 106.71 2bx3 n GLY 179 Ca 0.17 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2bx3 n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bx3 s LYS 180 N -0.34 4.14 0.56 1.61 1.02 -1.26 -1.43 119.74 124.05 2bx3 s LYS 180 Ca 0.00 0.11 -0.21 0.00 0.02 0.00 0.00 55.97 55.89 2bx3 s LYS 180 Cb 0.00 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 2bx3 s LYS 180 CO 0.00 -0.04 1.30 -0.06 -0.92 0.00 0.00 175.35 175.63 2bx3 s PHE 181 N 1.32 2.33 -0.09 3.18 0.08 -1.26 -2.06 117.98 121.48 2bx3 s PHE 181 Ca 0.17 1.43 -0.27 0.00 0.12 0.00 0.00 56.93 58.38 2bx3 s PHE 181 Cb -0.15 -3.69 -0.02 0.00 -0.57 0.00 0.00 43.02 38.59 2bx3 s PHE 181 CO 0.07 -2.65 0.89 0.71 -0.10 0.00 0.00 175.22 174.15 2bx3 s TYR 182 N -1.39 3.54 0.00 0.36 2.02 -0.03 -4.84 117.35 117.01 2bx3 s TYR 182 Ca 0.74 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.90 2bx3 s TYR 182 Cb -0.37 -3.05 0.00 0.00 -0.40 0.00 0.00 41.96 38.14 2bx3 s TYR 182 CO 0.43 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 2bx3 n GLY 183 N 3.14 -2.54 0.48 0.71 0.00 -1.26 -4.49 105.19 101.24 2bx3 n GLY 183 Ca 0.05 -1.61 0.01 0.00 0.00 0.00 0.00 46.02 44.47 2bx3 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bx3 n PRO 184 N -0.86 1.44 -1.99 1.61 -0.04 -1.26 -4.93 135.00 128.96 2bx3 n PRO 184 Ca 0.00 -0.44 -0.30 0.00 -0.04 0.00 0.00 63.50 62.72 2bx3 n PRO 184 Cb 0.00 -1.37 0.03 0.00 -0.04 0.00 0.00 33.50 32.12 2bx3 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2bx3 s PHE 185 N -1.53 3.40 0.07 0.54 0.08 -1.26 -5.08 117.98 114.20 2bx3 s PHE 185 Ca 0.08 1.04 0.05 0.00 0.12 0.00 0.00 56.93 58.21 2bx3 s PHE 185 Cb 0.05 -2.89 -0.03 0.00 -0.57 0.00 0.00 43.02 39.58 2bx3 s PHE 185 CO 0.04 -0.96 -0.13 0.14 -0.10 0.00 0.00 175.22 174.21 2bx3 s VAL 186 N -3.23 1.00 -1.42 -0.44 -7.23 -1.26 -4.86 120.40 102.96 2bx3 s VAL 186 Ca 0.56 -1.28 -0.08 0.00 -1.81 0.00 0.00 61.98 59.37 2bx3 s VAL 186 Cb -0.11 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 35.88 2bx3 s VAL 186 CO 0.51 -0.27 2.47 -0.90 -0.31 0.00 0.00 175.10 176.60 2bx3 n ASP 187 N 1.27 7.47 -4.12 4.85 5.75 -1.26 -4.88 116.55 125.63 2bx3 n ASP 187 Ca -0.21 -2.94 -0.11 0.00 -0.01 0.00 0.00 54.79 51.52 2bx3 n ASP 187 Cb 0.54 -1.46 -0.08 0.00 -1.03 0.00 0.00 41.12 39.09 2bx3 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bx3 s ARG 188 N 0.46 1.32 -0.56 0.11 1.70 -1.26 -4.89 118.95 115.82 2bx3 s ARG 188 Ca 0.56 -1.47 -0.17 0.00 -0.47 0.00 0.00 55.73 54.17 2bx3 s ARG 188 Cb 0.17 0.35 0.11 0.00 -0.57 0.00 0.00 34.95 35.00 2bx3 s ARG 188 CO -0.07 -0.48 0.60 -1.14 -1.08 0.00 0.00 175.30 173.13 2bx3 s GLN 189 N -4.10 3.02 0.18 3.89 2.00 0.13 -4.95 119.66 119.83 2bx3 s GLN 189 Ca 0.32 -1.47 -0.03 0.00 -2.00 0.00 0.00 55.36 52.19 2bx3 s GLN 189 Cb 0.04 -4.27 0.01 0.00 0.80 0.00 0.00 33.01 29.60 2bx3 s GLN 189 CO 0.10 -1.41 0.28 -2.37 -0.50 0.00 0.00 175.29 171.40 2bx3 n THR 190 N 5.41 0.00 -3.09 -0.34 5.66 -1.26 -4.34 114.28 116.32 2bx3 n THR 190 Ca -0.11 -0.78 -0.43 0.00 -3.05 0.00 0.00 64.05 59.67 2bx3 n THR 190 Cb 0.42 0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 69.67 2bx3 n THR 190 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bx3 s ALA 191 N -2.00 3.33 -0.21 1.79 0.00 -1.26 -4.96 121.76 118.45 2bx3 s ALA 191 Ca 0.13 -1.51 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 2bx3 s ALA 191 Cb -0.01 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.76 2bx3 s ALA 191 CO 0.09 -2.02 0.65 1.14 0.00 0.00 0.00 175.76 175.62 2bx3 s GLN 192 N 2.93 0.80 0.04 0.00 -2.07 -1.26 -5.13 119.66 114.97 2bx3 s GLN 192 Ca 0.20 0.80 0.02 0.00 -1.82 0.00 0.00 55.36 54.56 2bx3 s GLN 192 Cb -0.17 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.12 2bx3 s GLN 192 CO 0.15 -0.12 -0.08 0.00 -1.32 0.00 0.00 175.29 173.91 2bx3 s ALA 193 N 0.10 0.62 0.33 2.60 0.00 -1.26 -4.58 121.76 119.58 2bx3 s ALA 193 Ca -0.02 -0.78 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 2bx3 s ALA 193 Cb -0.04 0.03 -0.13 0.00 0.00 0.00 0.00 23.12 22.98 2bx3 s ALA 193 CO 0.02 -0.00 1.02 0.00 0.00 0.00 0.00 175.76 176.80 2bx3 n ALA 194 N 1.46 -0.02 -0.98 0.00 0.00 -1.26 -5.01 120.51 114.70 2bx3 n ALA 194 Ca -0.23 0.34 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 2bx3 n ALA 194 Cb 0.55 -2.05 0.19 0.00 0.00 0.00 0.00 19.45 18.13 2bx3 n ALA 194 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bx3 s GLY 195 N -0.58 1.58 0.26 0.00 0.00 -1.26 -4.98 107.32 102.35 2bx3 s GLY 195 Ca 0.59 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.87 2bx3 s GLY 195 CO 0.60 0.45 1.39 -1.30 0.00 0.00 0.00 173.10 174.24 2bx3 n THR 196 N -4.30 1.18 -2.98 0.90 -2.24 -1.26 -4.90 114.28 100.67 2bx3 n THR 196 Ca 0.06 -0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 2bx3 n THR 196 Cb 0.55 -1.52 0.01 0.00 -2.10 0.00 0.00 70.33 67.28 2bx3 n THR 196 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bx3 s ASP 197 N 0.17 5.72 0.24 3.42 2.15 -1.26 -4.68 116.67 122.44 2bx3 s ASP 197 Ca 0.65 0.13 0.01 0.00 0.43 0.00 0.00 52.55 53.77 2bx3 s ASP 197 Cb -0.62 -1.32 -0.05 0.00 -0.30 0.00 0.00 42.92 40.63 2bx3 s ASP 197 CO 0.52 -0.76 0.11 0.42 -0.17 0.00 0.00 175.17 175.29 2bx3 s THR 198 N -2.54 0.39 0.17 1.71 -4.23 -1.26 -5.02 115.64 104.86 2bx3 s THR 198 Ca 0.50 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.74 2bx3 s THR 198 Cb -0.10 -2.59 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 2bx3 s THR 198 CO 0.37 -0.01 0.85 -0.89 -0.54 0.00 0.00 174.62 174.40 2bx3 s THR 199 N -3.88 4.32 -1.00 3.99 2.01 0.60 -4.55 115.64 117.13 2bx3 s THR 199 Ca 0.38 1.87 -0.22 0.00 0.31 0.00 0.00 61.69 64.03 2bx3 s THR 199 Cb 0.08 -4.22 0.07 0.00 0.01 0.00 0.00 72.50 68.43 2bx3 s THR 199 CO 0.13 0.47 1.38 -0.63 -0.69 0.00 0.00 174.62 175.28 2bx3 s ILE 200 N -0.90 4.09 0.18 1.82 1.01 -1.26 -1.18 121.20 124.96 2bx3 s ILE 200 Ca 0.39 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 2bx3 s ILE 200 Cb -0.24 -5.00 0.10 0.00 0.01 0.00 0.00 42.46 37.33 2bx3 s ILE 200 CO 0.28 -1.85 1.72 0.74 0.00 0.00 0.00 174.94 175.84 2bx3 h THR 201 N 6.59 0.75 -0.95 2.92 2.02 -1.93 -1.27 112.91 121.03 2bx3 h THR 201 Ca 0.19 -0.09 0.14 0.00 0.77 0.00 0.00 66.41 67.42 2bx3 h THR 201 Cb 1.01 0.47 -0.08 0.00 -1.74 0.00 0.00 68.15 67.82 2bx3 h THR 201 CO 1.36 0.05 0.60 0.25 0.37 0.00 0.00 175.52 178.15 2bx3 h LEU 202 N 0.25 0.79 -0.20 2.58 5.85 -1.90 -0.21 115.31 122.46 2bx3 h LEU 202 Ca 0.24 0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.79 2bx3 h LEU 202 Cb 0.31 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2bx3 h LEU 202 CO -0.30 0.40 -0.92 0.78 -0.34 0.00 0.00 178.44 178.05 2bx3 h ASN 203 N 0.83 0.47 -0.52 1.25 4.21 -1.47 -0.88 115.58 119.48 2bx3 h ASN 203 Ca 0.48 -0.37 -0.06 0.00 1.21 0.00 0.00 56.30 57.55 2bx3 h ASN 203 Cb 0.63 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.67 2bx3 h ASN 203 CO -0.25 1.17 0.07 0.58 -1.29 0.00 0.00 177.43 177.72 2bx3 h VAL 204 N 0.20 1.25 -0.61 2.81 2.07 -0.77 -1.76 116.25 119.45 2bx3 h VAL 204 Ca -0.07 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2bx3 h VAL 204 Cb 1.56 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2bx3 h VAL 204 CO 0.16 0.34 0.35 -0.07 0.02 0.00 0.00 177.57 178.37 2bx3 h LEU 205 N 0.75 0.74 -0.56 2.57 3.38 -0.83 -1.71 115.31 119.65 2bx3 h LEU 205 Ca 0.16 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2bx3 h LEU 205 Cb 0.42 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2bx3 h LEU 205 CO 0.01 0.60 0.18 0.00 0.09 0.00 0.00 178.44 179.33 2bx3 h ALA 206 N 1.17 0.70 0.00 1.53 0.00 -0.93 -1.91 119.26 119.82 2bx3 h ALA 206 Ca 0.22 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2bx3 h ALA 206 Cb 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2bx3 h ALA 206 CO -0.04 -0.23 -0.29 2.35 0.00 0.00 0.00 179.25 181.04 2bx3 h TRP 207 N 0.35 0.00 -0.16 0.00 7.01 -0.86 -0.23 115.95 122.07 2bx3 h TRP 207 Ca 0.28 0.00 -0.19 0.00 2.11 0.00 0.00 58.89 61.09 2bx3 h TRP 207 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 2bx3 h TRP 207 CO -0.18 0.29 -0.67 -0.07 -2.79 0.00 0.00 178.44 175.02 2bx3 h LEU 208 N 0.00 0.74 -0.27 0.65 3.38 -0.58 -0.73 115.31 118.50 2bx3 h LEU 208 Ca -0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2bx3 h LEU 208 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2bx3 h LEU 208 CO 0.04 1.21 0.18 1.88 0.09 0.00 0.00 178.44 181.84 2bx3 h TYR 209 N 0.46 0.34 -1.00 1.13 0.05 -0.71 -1.84 116.97 115.40 2bx3 h TYR 209 Ca -0.02 0.01 0.16 0.00 0.05 0.00 0.00 58.73 58.93 2bx3 h TYR 209 Cb 1.25 -0.12 -0.10 0.00 1.01 0.00 0.00 36.73 38.78 2bx3 h TYR 209 CO 0.06 0.22 0.62 0.00 -1.05 0.00 0.00 178.16 178.01 2bx3 h ALA 210 N 1.10 1.60 -0.50 3.88 0.00 -0.90 0.22 119.26 124.66 2bx3 h ALA 210 Ca 0.10 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2bx3 h ALA 210 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2bx3 h ALA 210 CO -0.02 0.08 -0.09 0.00 0.00 0.00 0.00 179.25 179.21 2bx3 h ALA 211 N 1.60 0.68 0.15 0.00 0.00 -0.60 -0.42 119.26 120.67 2bx3 h ALA 211 Ca 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2bx3 h ALA 211 Cb 0.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2bx3 h ALA 211 CO -0.33 0.58 -0.07 0.28 0.00 0.00 0.00 179.25 179.71 2bx3 h VAL 212 N 0.80 0.90 -1.17 0.00 2.07 -0.53 -0.90 116.25 117.41 2bx3 h VAL 212 Ca 0.13 -0.16 0.33 0.00 0.82 0.00 0.00 66.70 67.83 2bx3 h VAL 212 Cb 0.65 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 2bx3 h VAL 212 CO 0.04 0.04 0.82 0.40 0.02 0.00 0.00 177.57 178.89 2bx3 h ILE 213 N -0.27 0.41 0.00 4.57 2.04 -0.34 0.36 117.51 124.28 2bx3 h ILE 213 Ca -0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2bx3 h ILE 213 Cb 0.21 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2bx3 h ILE 213 CO 0.03 0.02 0.00 -1.13 0.00 0.00 0.00 178.15 177.07 2bx3 h ASN 214 N 0.10 0.00 0.00 1.72 -0.00 -0.02 -3.47 115.58 113.91 2bx3 h ASN 214 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.89 2bx3 h ASN 214 Cb 2.13 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.45 2bx3 h ASN 214 CO -0.10 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.94 2bx3 n GLY 215 N 0.80 0.66 3.70 1.57 0.00 0.13 -5.09 105.19 106.96 2bx3 n GLY 215 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2bx3 n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bx3 s ASP 216 N -1.89 7.04 0.00 1.61 1.11 -0.45 -4.90 116.67 119.18 2bx3 s ASP 216 Ca 0.00 1.97 0.00 0.00 0.18 0.00 0.00 52.55 54.70 2bx3 s ASP 216 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2bx3 s ASP 216 CO 0.00 -0.54 0.33 0.54 1.18 0.00 0.00 175.17 176.68 2bx3 n ARG 217 N 4.49 -0.03 0.08 8.23 1.74 -1.26 -3.72 116.66 126.18 2bx3 n ARG 217 Ca 0.10 -0.37 0.02 0.00 -0.77 0.00 0.00 57.85 56.83 2bx3 n ARG 217 Cb 0.46 -0.71 0.38 0.00 -1.02 0.00 0.00 32.46 31.57 2bx3 n ARG 217 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2bx3 h TRP 218 N 0.00 0.34 -0.35 -1.55 5.08 -2.00 -2.71 115.95 114.76 2bx3 h TRP 218 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.94 2bx3 h TRP 218 Cb 0.41 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 2bx3 h TRP 218 CO 0.00 0.40 0.00 1.97 -1.28 0.00 0.00 178.44 179.53 2bx3 n PHE 219 N -4.30 0.47 -1.56 0.12 1.16 -1.26 -4.96 117.46 107.13 2bx3 n PHE 219 Ca 0.00 -0.23 -0.34 0.00 -1.87 0.00 0.00 57.45 55.01 2bx3 n PHE 219 Cb 0.24 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.18 2bx3 n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2bx3 s LEU 220 N -1.13 3.35 0.31 5.98 1.43 -1.03 -4.74 118.68 122.86 2bx3 s LEU 220 Ca 0.28 2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 55.33 2bx3 s LEU 220 Cb 0.15 -4.58 -0.10 0.00 0.03 0.00 0.00 46.19 41.69 2bx3 s LEU 220 CO 0.20 -2.03 1.27 0.54 0.23 0.00 0.00 176.35 176.56 2bx3 s ASN 221 N -2.19 6.88 0.14 2.29 4.22 -1.26 -4.91 114.94 120.10 2bx3 s ASN 221 Ca 0.72 2.58 0.23 0.00 -2.14 0.00 0.00 52.86 54.25 2bx3 s ASN 221 Cb -0.26 -2.64 0.12 0.00 1.28 0.00 0.00 41.25 39.75 2bx3 s ASN 221 CO 0.43 -0.45 1.12 0.54 -2.04 0.00 0.00 177.10 176.70 2bx3 n ARG 222 N 1.03 0.44 -4.22 3.55 5.12 -1.26 -4.96 116.66 116.35 2bx3 n ARG 222 Ca 0.00 0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.87 2bx3 n ARG 222 Cb 0.42 -1.73 -0.10 0.00 -1.16 0.00 0.00 32.46 29.90 2bx3 n ARG 222 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2bx3 s PHE 223 N -3.27 1.13 0.48 -1.55 0.08 -1.26 -5.16 117.98 108.44 2bx3 s PHE 223 Ca 0.02 -1.04 -0.09 0.00 0.12 0.00 0.00 56.93 55.95 2bx3 s PHE 223 Cb 0.12 -0.64 -0.05 0.00 -0.57 0.00 0.00 43.02 41.88 2bx3 s PHE 223 CO 0.77 -0.25 0.84 0.95 -0.10 0.00 0.00 175.22 177.43 2bx3 s THR 224 N -3.71 4.81 0.31 0.64 -4.23 -1.26 -4.78 115.64 107.41 2bx3 s THR 224 Ca 0.23 0.53 0.03 0.00 -1.18 0.00 0.00 61.69 61.30 2bx3 s THR 224 Cb 0.06 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 2bx3 s THR 224 CO 0.03 -0.79 0.11 0.28 -0.54 0.00 0.00 174.62 173.71 2bx3 s THR 225 N -2.69 0.66 0.31 3.99 -1.32 -1.26 -4.97 115.64 110.35 2bx3 s THR 225 Ca 0.51 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 59.09 2bx3 s THR 225 Cb -0.10 -2.60 -0.06 0.00 -1.51 0.00 0.00 72.50 68.23 2bx3 s THR 225 CO 0.41 0.00 -0.12 0.42 -2.21 0.00 0.00 174.62 173.12 2bx3 s THR 226 N -3.52 2.45 0.14 5.08 -4.23 -1.26 -4.93 115.64 109.36 2bx3 s THR 226 Ca 0.35 -2.25 -0.19 0.00 -1.18 0.00 0.00 61.69 58.42 2bx3 s THR 226 Cb 0.06 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2bx3 s THR 226 CO 0.15 -0.30 1.71 0.25 -0.54 0.00 0.00 174.62 175.89 2bx3 h LEU 227 N 2.10 -0.15 -0.27 4.79 5.85 -1.98 0.22 115.31 125.87 2bx3 h LEU 227 Ca -0.41 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.43 2bx3 h LEU 227 Cb 1.25 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 2bx3 h LEU 227 CO 0.65 -0.04 -0.04 0.78 -0.34 0.00 0.00 178.44 179.45 2bx3 h ASN 228 N 0.05 -0.19 0.32 1.25 2.35 -1.97 -0.88 115.58 116.52 2bx3 h ASN 228 Ca 0.13 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 2bx3 h ASN 228 Cb 0.18 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2bx3 h ASN 228 CO -0.24 -0.06 -0.46 0.44 -1.65 0.00 0.00 177.43 175.46 2bx3 h ASP 229 N 0.03 0.19 -0.71 5.81 3.32 -1.89 -1.66 116.42 121.52 2bx3 h ASP 229 Ca 0.13 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2bx3 h ASP 229 Cb 0.19 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2bx3 h ASP 229 CO -0.26 0.63 0.46 0.15 -1.72 0.00 0.00 179.24 178.50 2bx3 h PHE 230 N 0.14 0.91 0.00 4.55 3.57 -0.19 -3.16 116.94 122.76 2bx3 h PHE 230 Ca 0.01 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2bx3 h PHE 230 Cb 0.88 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2bx3 h PHE 230 CO 0.01 0.59 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.56 2bx3 h ASN 231 N 0.97 0.00 -0.55 0.41 2.35 -0.24 -1.16 115.58 117.36 2bx3 h ASN 231 Ca 0.26 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 2bx3 h ASN 231 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2bx3 h ASN 231 CO -0.05 0.21 0.21 -0.07 -1.65 0.00 0.00 177.43 176.08 2bx3 h LEU 232 N 0.00 0.77 -0.04 1.61 3.38 -1.40 -2.91 115.31 116.72 2bx3 h LEU 232 Ca -0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2bx3 h LEU 232 Cb 0.96 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2bx3 h LEU 232 CO 0.03 0.74 -0.12 0.58 0.09 0.00 0.00 178.44 179.76 2bx3 h VAL 233 N 0.76 1.45 -0.94 1.22 2.07 -1.50 -3.12 116.25 116.19 2bx3 h VAL 233 Ca 0.18 -1.50 0.11 0.00 0.82 0.00 0.00 66.70 66.31 2bx3 h VAL 233 Cb 0.22 2.33 -0.13 0.00 -1.52 0.00 0.00 31.29 32.19 2bx3 h VAL 233 CO -0.01 0.41 -0.51 0.00 0.02 0.00 0.00 177.57 177.48 2bx3 h ALA 234 N 0.44 -0.31 -0.14 1.67 0.00 -1.26 -0.15 119.26 119.51 2bx3 h ALA 234 Ca -0.00 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2bx3 h ALA 234 Cb 0.73 1.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2bx3 h ALA 234 CO 0.03 -0.85 -0.27 0.52 0.00 0.00 0.00 179.25 178.68 2bx3 h MET 235 N -0.04 0.26 -0.13 0.00 2.07 -1.58 0.37 114.93 115.89 2bx3 h MET 235 Ca 0.22 -0.09 0.04 0.00 -2.07 0.00 0.00 59.70 57.79 2bx3 h MET 235 Cb 0.49 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.20 2bx3 h MET 235 CO -0.92 0.52 0.15 0.87 1.07 0.00 0.00 176.91 178.59 2bx3 h LYS 236 N 0.23 0.00 -0.15 1.72 1.57 -0.97 -2.26 116.57 116.71 2bx3 h LYS 236 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2bx3 h LYS 236 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2bx3 h LYS 236 CO 0.04 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 2bx3 n TYR 237 N -3.81 0.19 -2.16 -1.35 4.02 0.12 -4.95 117.16 109.22 2bx3 n TYR 237 Ca 0.00 -0.16 -0.05 0.00 -0.01 0.00 0.00 57.90 57.68 2bx3 n TYR 237 Cb 0.26 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.57 2bx3 n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2bx3 n ASN 238 N 0.80 -2.30 -4.88 7.72 5.15 -0.45 -4.90 115.26 116.39 2bx3 n ASN 238 Ca 0.10 -0.02 -0.31 0.00 -0.60 0.00 0.00 54.58 53.75 2bx3 n ASN 238 Cb 0.39 -1.60 -0.05 0.00 -0.53 0.00 0.00 39.78 37.99 2bx3 n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2bx3 s TYR 239 N -2.33 3.44 0.28 1.20 1.51 -0.79 -0.29 117.35 120.37 2bx3 s TYR 239 Ca 0.01 0.81 -0.28 0.00 -1.01 0.00 0.00 57.07 56.60 2bx3 s TYR 239 Cb -0.01 -2.21 -0.09 0.00 -0.11 0.00 0.00 41.96 39.54 2bx3 s TYR 239 CO 0.02 0.28 0.97 -2.00 -1.11 0.00 0.00 175.55 173.71 2bx3 s GLU 240 N -2.89 4.69 0.70 -0.62 2.12 -0.33 -3.88 118.70 118.49 2bx3 s GLU 240 Ca 0.46 1.49 -0.14 0.00 0.36 0.00 0.00 54.97 57.14 2bx3 s GLU 240 Cb -0.11 -3.07 0.02 0.00 0.26 0.00 0.00 34.13 31.23 2bx3 s GLU 240 CO 0.23 0.35 1.12 -1.25 -0.54 0.00 0.00 175.26 175.17 2bx3 s PRO 241 N -1.58 2.56 -0.02 4.30 0.04 -1.26 -4.54 135.00 134.50 2bx3 s PRO 241 Ca 0.46 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 2bx3 s PRO 241 Cb -0.24 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2bx3 s PRO 241 CO 0.31 -1.44 0.22 -1.17 0.04 0.00 0.00 177.00 174.96 2bx3 s LEU 242 N -5.14 4.38 0.42 -3.56 2.96 -1.26 -4.98 118.68 111.49 2bx3 s LEU 242 Ca 0.67 0.50 0.07 0.00 -0.22 0.00 0.00 54.13 55.14 2bx3 s LEU 242 Cb -0.21 -2.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.88 2bx3 s LEU 242 CO 0.45 0.29 0.05 0.42 -1.32 0.00 0.00 176.35 176.24 2bx3 s THR 243 N -1.24 2.03 0.33 3.68 -4.23 -1.26 -4.99 115.64 109.95 2bx3 s THR 243 Ca 0.25 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2bx3 s THR 243 Cb -0.13 -2.95 0.15 0.00 1.34 0.00 0.00 72.50 70.90 2bx3 s THR 243 CO 0.14 0.00 1.86 -0.61 -0.54 0.00 0.00 174.62 175.47 2bx3 h GLN 244 N 1.66 0.50 -0.44 3.99 5.75 -1.99 -1.02 115.11 123.57 2bx3 h GLN 244 Ca -0.44 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 57.87 2bx3 h GLN 244 Cb 1.25 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 2bx3 h GLN 244 CO 0.78 0.56 -0.05 -0.44 -2.65 0.00 0.00 178.83 177.03 2bx3 h ASP 245 N 0.47 0.72 -0.83 -0.69 3.32 -1.99 0.17 116.42 117.60 2bx3 h ASP 245 Ca 0.10 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2bx3 h ASP 245 Cb 0.38 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2bx3 h ASP 245 CO 0.02 0.83 0.48 0.45 -1.72 0.00 0.00 179.24 179.30 2bx3 h HIS 246 N 0.69 1.11 -0.73 4.55 3.86 -1.77 -1.59 115.15 121.27 2bx3 h HIS 246 Ca 0.13 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2bx3 h HIS 246 Cb 0.50 -0.36 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 2bx3 h HIS 246 CO 0.02 0.75 0.46 0.28 0.86 0.00 0.00 177.93 180.30 2bx3 h VAL 247 N 1.14 1.10 -0.28 2.45 2.07 0.16 -2.77 116.25 120.13 2bx3 h VAL 247 Ca 0.30 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2bx3 h VAL 247 Cb -0.02 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2bx3 h VAL 247 CO -0.05 0.16 0.04 0.44 0.02 0.00 0.00 177.57 178.18 2bx3 h ASP 248 N 0.89 0.44 -0.18 0.57 3.32 -0.46 -2.42 116.42 118.58 2bx3 h ASP 248 Ca 0.29 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.13 2bx3 h ASP 248 Cb 0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2bx3 h ASP 248 CO -0.11 0.59 0.40 0.40 -1.72 0.00 0.00 179.24 178.79 2bx3 h ILE 249 N 0.27 0.16 -0.00 0.35 2.04 -1.01 0.11 117.51 119.43 2bx3 h ILE 249 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2bx3 h ILE 249 Cb 0.34 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2bx3 h ILE 249 CO 0.01 0.00 -0.70 0.18 0.00 0.00 0.00 178.15 177.64 2bx3 n LEU 250 N -3.24 0.88 0.00 1.44 4.77 -0.92 -4.34 117.00 115.60 2bx3 n LEU 250 Ca 0.02 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2bx3 n LEU 250 Cb 0.50 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2bx3 n LEU 250 CO 0.19 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2bx3 n GLY 251 N 1.48 0.00 0.37 -0.72 0.00 0.40 -1.28 105.19 105.44 2bx3 n GLY 251 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 2bx3 n GLY 251 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2bx3 h PRO 252 N 0.00 1.02 -0.62 1.61 0.11 -1.80 -0.35 132.00 131.96 2bx3 h PRO 252 Ca 0.00 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 2bx3 h PRO 252 Cb 0.00 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 2bx3 h PRO 252 CO 0.00 0.67 0.02 -0.07 -0.21 0.00 0.00 178.00 178.42 2bx3 h LEU 253 N 1.05 1.06 -0.67 2.35 3.38 -1.70 0.10 115.31 120.89 2bx3 h LEU 253 Ca 0.42 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2bx3 h LEU 253 Cb 0.26 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2bx3 h LEU 253 CO -0.18 1.09 0.44 -1.28 0.09 0.00 0.00 178.44 178.60 2bx3 h SER 254 N 0.99 0.74 -0.18 -0.43 0.87 -0.73 -1.58 113.55 113.24 2bx3 h SER 254 Ca 0.18 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2bx3 h SER 254 Cb 0.54 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2bx3 h SER 254 CO 0.03 0.53 0.09 0.00 -0.53 0.00 0.00 176.83 176.95 2bx3 h ALA 255 N 1.26 0.23 0.00 6.23 0.00 -0.56 0.62 119.26 127.03 2bx3 h ALA 255 Ca 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2bx3 h ALA 255 Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bx3 h ALA 255 CO -0.07 -0.23 -0.17 1.96 0.00 0.00 0.00 179.25 180.74 2bx3 h GLN 256 N 0.17 0.00 0.00 0.00 4.20 -0.75 -3.30 115.11 115.43 2bx3 h GLN 256 Ca 0.06 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2bx3 h GLN 256 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2bx3 h GLN 256 CO -0.01 0.17 -1.60 0.25 -0.67 0.00 0.00 178.83 176.98 2bx3 n THR 257 N -3.99 0.28 -1.08 -0.54 -2.24 -0.62 -5.01 114.28 101.08 2bx3 n THR 257 Ca -0.02 -0.33 -0.03 0.00 -2.27 0.00 0.00 64.05 61.40 2bx3 n THR 257 Cb 0.26 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 2bx3 n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bx3 n GLY 258 N 2.04 0.61 3.18 3.38 0.00 0.19 -5.02 105.19 109.58 2bx3 n GLY 258 Ca -0.08 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2bx3 n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bx3 s ILE 259 N -2.07 2.87 0.77 -0.61 1.01 -1.21 -5.06 121.20 116.90 2bx3 s ILE 259 Ca 0.00 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.29 2bx3 s ILE 259 Cb 0.00 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.98 2bx3 s ILE 259 CO 0.00 0.05 1.18 0.00 0.00 0.00 0.00 174.94 176.18 2bx3 s ALA 260 N 1.28 1.99 0.08 9.38 0.00 -1.26 -4.49 121.76 128.74 2bx3 s ALA 260 Ca -0.03 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 2bx3 s ALA 260 Cb -0.18 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 2bx3 s ALA 260 CO -0.03 -2.06 1.49 0.28 0.00 0.00 0.00 175.76 175.43 2bx3 h VAL 261 N -0.72 1.28 0.00 0.00 2.07 -1.93 -2.22 116.25 114.73 2bx3 h VAL 261 Ca -0.46 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.99 2bx3 h VAL 261 Cb 1.28 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2bx3 h VAL 261 CO 0.48 0.32 -0.17 -0.07 0.02 0.00 0.00 177.57 178.15 2bx3 h LEU 262 N 0.23 0.00 -0.50 2.57 -0.00 -1.95 -0.64 115.31 115.02 2bx3 h LEU 262 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.89 2bx3 h LEU 262 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 2bx3 h LEU 262 CO 0.02 0.17 0.08 0.44 -0.00 0.00 0.00 178.44 179.15 2bx3 h ASP 263 N 0.00 0.80 -0.10 -0.43 5.19 -1.82 -1.66 116.42 118.40 2bx3 h ASP 263 Ca -0.00 -0.26 -0.10 0.00 -0.62 0.00 0.00 57.03 56.04 2bx3 h ASP 263 Cb 0.46 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2bx3 h ASP 263 CO 0.02 0.86 -0.26 -0.03 -3.12 0.00 0.00 179.24 176.71 2bx3 h MET 264 N 0.71 0.54 -0.42 3.56 4.05 -0.67 -0.86 114.93 121.84 2bx3 h MET 264 Ca 0.15 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2bx3 h MET 264 Cb 0.40 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 2bx3 h MET 264 CO 0.01 0.75 0.19 0.00 0.23 0.00 0.00 176.91 178.10 2bx3 h ALA 266 N 1.04 0.88 -0.30 0.00 0.00 -1.08 -1.23 119.26 118.57 2bx3 h ALA 266 Ca 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2bx3 h ALA 266 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2bx3 h ALA 266 CO -0.02 -0.17 0.10 0.00 0.00 0.00 0.00 179.25 179.17 2bx3 h ALA 267 N 1.45 0.39 -0.12 0.00 0.00 -0.52 -2.33 119.26 118.13 2bx3 h ALA 267 Ca 0.34 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2bx3 h ALA 267 Cb 0.43 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2bx3 h ALA 267 CO -0.32 0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.14 2bx3 h LEU 268 N 0.32 -0.16 -0.87 0.00 5.85 -0.94 -0.35 115.31 119.17 2bx3 h LEU 268 Ca 0.10 0.04 0.23 0.00 0.84 0.00 0.00 57.88 59.09 2bx3 h LEU 268 Cb 0.22 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.21 2bx3 h LEU 268 CO -0.00 -0.07 0.26 0.50 -0.34 0.00 0.00 178.44 178.79 2bx3 h LYS 269 N -0.03 0.24 0.00 1.25 3.64 -1.09 -0.73 116.57 119.84 2bx3 h LYS 269 Ca 0.06 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2bx3 h LYS 269 Cb 0.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2bx3 h LYS 269 CO -0.14 0.16 -0.59 0.93 -2.27 0.00 0.00 179.45 177.53 2bx3 h GLU 270 N 0.24 0.00 -0.44 1.90 5.08 -0.82 -1.47 114.58 119.08 2bx3 h GLU 270 Ca 0.54 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.77 2bx3 h GLU 270 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2bx3 h GLU 270 CO -0.62 0.44 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.49 2bx3 h LEU 271 N 0.00 0.97 -0.07 1.33 3.38 -0.59 -0.03 115.31 120.29 2bx3 h LEU 271 Ca -0.02 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2bx3 h LEU 271 Cb 1.38 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2bx3 h LEU 271 CO 0.06 1.17 -0.07 -0.07 0.09 0.00 0.00 178.44 179.62 2bx3 h LEU 272 N 0.79 0.18 -0.48 1.67 3.38 -1.02 0.35 115.31 120.17 2bx3 h LEU 272 Ca 0.09 -0.49 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 2bx3 h LEU 272 Cb 0.84 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2bx3 h LEU 272 CO 0.07 0.63 -0.59 1.56 0.09 0.00 0.00 178.44 180.21 2bx3 h GLN 273 N -0.27 0.00 0.00 1.13 4.20 -1.26 -3.44 115.11 115.47 2bx3 h GLN 273 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2bx3 h GLN 273 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2bx3 h GLN 273 CO 0.02 0.59 0.00 0.27 -0.67 0.00 0.00 178.83 179.04 2bx3 n ASN 274 N -3.48 0.00 -0.03 1.46 6.94 -0.43 -5.00 115.26 114.72 2bx3 n ASN 274 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.40 2bx3 n ASN 274 Cb 0.68 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.01 2bx3 n ASN 274 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2bx3 h GLY 275 N 0.00 0.62 -4.83 4.83 0.00 -0.97 -3.30 103.07 99.42 2bx3 h GLY 275 Ca 0.00 -0.87 -0.54 0.00 0.00 0.00 0.00 47.33 45.93 2bx3 h GLY 275 CO 0.00 0.77 1.82 1.03 0.00 0.00 0.00 176.54 180.17 2bx3 n MET 276 N -4.19 3.28 -3.98 4.80 2.81 0.10 -4.35 117.12 115.58 2bx3 n MET 276 Ca -0.08 -2.25 -0.31 0.00 -1.81 0.00 0.00 57.70 53.26 2bx3 n MET 276 Cb 0.62 -2.44 -0.15 0.00 -0.71 0.00 0.00 33.22 30.54 2bx3 n MET 276 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2bx3 s ASN 277 N 1.35 4.56 0.00 7.83 4.22 -1.25 -4.69 114.94 126.96 2bx3 s ASN 277 Ca 0.63 -2.48 0.00 0.00 -2.14 0.00 0.00 52.86 48.87 2bx3 s ASN 277 Cb 0.25 -1.60 0.00 0.00 1.28 0.00 0.00 41.25 41.18 2bx3 s ASN 277 CO -0.08 -0.32 0.00 0.61 -2.04 0.00 0.00 177.10 175.26 2bx3 n GLY 278 N 3.81 0.67 3.65 0.45 0.00 -1.26 -5.04 105.19 107.46 2bx3 n GLY 278 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2bx3 n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bx3 s ARG 279 N -0.26 2.01 0.06 1.61 0.52 -1.26 -5.16 118.95 116.48 2bx3 s ARG 279 Ca 0.00 -2.14 0.02 0.00 -0.52 0.00 0.00 55.73 53.10 2bx3 s ARG 279 Cb 0.00 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.79 2bx3 s ARG 279 CO 0.00 -0.10 -0.08 0.95 0.02 0.00 0.00 175.30 176.09 2bx3 s THR 280 N -2.73 0.62 -0.02 0.02 -4.23 -1.26 -4.54 115.64 103.50 2bx3 s THR 280 Ca 0.31 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 2bx3 s THR 280 Cb 0.08 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.96 2bx3 s THR 280 CO 0.16 -0.52 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.02 2bx3 s ILE 281 N -2.06 0.61 -1.48 2.99 1.01 0.15 -4.74 121.20 117.69 2bx3 s ILE 281 Ca -0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 2bx3 s ILE 281 Cb -0.05 -0.57 0.09 0.00 0.01 0.00 0.00 42.46 41.94 2bx3 s ILE 281 CO -0.01 0.21 0.76 0.18 0.00 0.00 0.00 174.94 176.07 2bx3 n LEU 282 N 3.41 -2.07 0.00 2.97 4.77 -1.26 -0.89 117.00 123.93 2bx3 n LEU 282 Ca -0.19 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 2bx3 n LEU 282 Cb 0.54 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.27 2bx3 n LEU 282 CO 0.24 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2bx3 n GLY 283 N -1.45 1.52 3.63 -0.72 0.00 -1.26 -3.90 105.19 103.01 2bx3 n GLY 283 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2bx3 n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bx3 s SER 284 N -3.20 4.73 0.00 1.61 0.15 -0.07 -4.98 113.70 111.95 2bx3 s SER 284 Ca 0.00 -0.21 0.25 0.00 0.70 0.00 0.00 55.95 56.70 2bx3 s SER 284 Cb 0.00 -1.08 0.68 0.00 -1.71 0.00 0.00 66.02 63.91 2bx3 s SER 284 CO 0.00 0.22 1.53 0.35 1.20 0.00 0.00 173.24 176.54 2bx3 n THR 285 N 1.01 0.09 -4.62 6.45 -2.24 -1.26 0.35 114.28 114.05 2bx3 n THR 285 Ca -0.13 -0.39 -0.30 0.00 -2.27 0.00 0.00 64.05 60.95 2bx3 n THR 285 Cb 0.52 0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 69.44 2bx3 n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2bx3 s ILE 286 N -1.91 2.35 -0.63 2.28 -5.25 -1.26 -4.99 121.20 111.79 2bx3 s ILE 286 Ca 0.34 -1.51 -0.27 0.00 -0.99 0.00 0.00 60.65 58.22 2bx3 s ILE 286 Cb 0.20 -1.99 0.01 0.00 2.95 0.00 0.00 42.46 43.64 2bx3 s ILE 286 CO 0.31 0.23 1.46 -0.76 -1.79 0.00 0.00 174.94 174.39 2bx3 s LEU 287 N -1.66 3.31 0.19 0.37 1.43 -1.26 -4.88 118.68 116.17 2bx3 s LEU 287 Ca 0.14 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 2bx3 s LEU 287 Cb -0.10 -2.80 -0.08 0.00 0.03 0.00 0.00 46.19 43.24 2bx3 s LEU 287 CO 0.05 -1.88 1.24 -0.70 0.23 0.00 0.00 176.35 175.29 2bx3 s GLU 288 N 5.88 4.45 0.00 1.70 2.56 -1.26 -4.95 118.70 127.08 2bx3 s GLU 288 Ca 0.50 1.95 0.00 0.00 0.00 0.00 0.00 54.97 57.42 2bx3 s GLU 288 Cb -0.10 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 32.81 2bx3 s GLU 288 CO 0.21 -0.16 0.96 -0.40 -0.56 0.00 0.00 175.26 175.31 2bx3 n ASP 289 N 2.54 1.84 -1.77 -1.70 5.75 -1.26 -3.78 116.55 118.17 2bx3 n ASP 289 Ca 0.05 -1.92 -0.16 0.00 -0.01 0.00 0.00 54.79 52.75 2bx3 n ASP 289 Cb 0.44 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.70 2bx3 n ASP 289 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2bx3 n GLU 290 N -0.46 2.16 -4.28 0.11 1.02 -1.26 -4.69 120.64 113.24 2bx3 n GLU 290 Ca 0.00 -3.17 -0.33 0.00 -0.02 0.00 0.00 57.16 53.64 2bx3 n GLU 290 Cb 0.27 -2.04 -0.16 0.00 -0.02 0.00 0.00 31.44 29.49 2bx3 n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2bx3 s PHE 291 N -3.34 2.77 0.74 -0.32 0.08 -1.26 -4.79 117.98 111.85 2bx3 s PHE 291 Ca 0.52 -1.46 -0.12 0.00 0.12 0.00 0.00 56.93 55.99 2bx3 s PHE 291 Cb 0.45 -1.91 0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2bx3 s PHE 291 CO 0.05 -0.71 1.12 0.95 -0.10 0.00 0.00 175.22 176.53 2bx3 s THR 292 N 1.15 3.01 0.26 0.64 -4.23 -1.26 -4.45 115.64 110.76 2bx3 s THR 292 Ca 0.01 0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 2bx3 s THR 292 Cb -0.14 -3.31 0.25 0.00 1.34 0.00 0.00 72.50 70.63 2bx3 s THR 292 CO -0.08 -0.43 1.74 -0.65 -0.54 0.00 0.00 174.62 174.66 2bx3 h PRO 293 N -0.80 0.53 -0.18 3.99 0.11 -1.89 -1.01 132.00 132.74 2bx3 h PRO 293 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2bx3 h PRO 293 Cb 1.28 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2bx3 h PRO 293 CO 0.64 0.35 0.10 0.35 -0.21 0.00 0.00 178.00 179.24 2bx3 h PHE 294 N 0.55 0.19 -0.94 0.65 3.04 -1.93 -2.27 116.94 116.22 2bx3 h PHE 294 Ca 0.47 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.46 2bx3 h PHE 294 Cb 0.72 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.12 2bx3 h PHE 294 CO -0.11 0.11 0.62 -0.44 -2.02 0.00 0.00 178.31 176.46 2bx3 h ASP 295 N 0.21 1.03 -0.18 0.41 3.32 -1.65 -1.73 116.42 117.84 2bx3 h ASP 295 Ca 0.07 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2bx3 h ASP 295 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2bx3 h ASP 295 CO -0.04 0.72 -0.04 0.58 -1.72 0.00 0.00 179.24 178.74 2bx3 h VAL 296 N 1.21 1.29 -0.45 -1.35 2.07 -0.94 -0.40 116.25 117.68 2bx3 h VAL 296 Ca 0.37 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.92 2bx3 h VAL 296 Cb -0.03 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2bx3 h VAL 296 CO -0.11 0.30 0.19 0.58 0.02 0.00 0.00 177.57 178.56 2bx3 h VAL 297 N 0.06 0.91 -0.06 2.57 2.07 -1.25 1.25 116.25 121.81 2bx3 h VAL 297 Ca 0.05 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2bx3 h VAL 297 Cb 0.48 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2bx3 h VAL 297 CO 0.02 0.07 -0.35 -0.09 0.02 0.00 0.00 177.57 177.24 2bx3 h ARG 298 N 0.39 0.11 0.04 1.57 2.43 -1.14 -2.51 114.38 115.27 2bx3 h ARG 298 Ca 0.20 -0.04 -0.37 0.00 -0.81 0.00 0.00 59.98 58.96 2bx3 h ARG 298 Cb 0.16 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2bx3 h ARG 298 CO -0.18 0.45 -2.26 1.04 -1.51 0.00 0.00 179.97 177.51 2bx3 n GLN 299 N -4.10 0.69 -0.32 0.20 6.02 -0.17 -4.49 117.38 115.21 2bx3 n GLN 299 Ca -0.02 0.19 0.09 0.00 -0.01 0.00 0.00 57.00 57.25 2bx3 n GLN 299 Cb 0.41 -1.60 0.26 0.00 1.02 0.00 0.00 30.24 30.33 2bx3 n GLN 299 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05