#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j96 n ASP 2 N 0.00 0.81 -0.48 1.67 8.00 -1.26 -4.21 116.55 121.09 1j96 n ASP 2 Ca 0.00 -0.73 0.13 0.00 0.71 0.00 0.00 54.79 54.90 1j96 n ASP 2 Cb 0.00 0.88 0.49 0.00 -0.02 0.00 0.00 41.12 42.47 1j96 n ASP 2 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1j96 n SER 3 N -1.58 1.47 -4.53 -2.24 3.41 -1.26 -4.80 113.62 104.09 1j96 n SER 3 Ca 0.04 -1.55 -0.31 0.00 -0.26 0.00 0.00 58.87 56.79 1j96 n SER 3 Cb 0.35 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.15 1j96 n SER 3 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1j96 s LYS 4 N -1.92 2.22 0.03 4.33 1.02 -1.26 -5.09 119.74 119.07 1j96 s LYS 4 Ca 0.36 -0.92 -0.26 0.00 0.02 0.00 0.00 55.97 55.17 1j96 s LYS 4 Cb 0.20 -2.31 0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1j96 s LYS 4 CO 0.31 0.55 0.60 1.52 -0.92 0.00 0.00 175.35 177.41 1j96 s TYR 5 N -1.03 -0.55 0.10 3.18 -0.85 -1.26 -5.02 117.35 111.92 1j96 s TYR 5 Ca 0.17 0.71 -0.31 0.00 -0.52 0.00 0.00 57.07 57.13 1j96 s TYR 5 Cb -0.11 0.42 -0.08 0.00 0.38 0.00 0.00 41.96 42.58 1j96 s TYR 5 CO 0.08 -0.67 1.40 -0.65 -1.52 0.00 0.00 175.55 174.19 1j96 s GLN 6 N -2.20 4.31 0.23 -3.49 -0.21 -1.26 -4.99 119.66 112.04 1j96 s GLN 6 Ca -0.06 2.07 0.00 0.00 0.02 0.00 0.00 55.36 57.39 1j96 s GLN 6 Cb -0.01 -3.30 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 1j96 s GLN 6 CO 0.01 -0.46 0.15 0.00 -2.12 0.00 0.00 175.29 172.86 1j96 s VAL 8 N -4.02 1.27 -0.25 0.00 0.11 -0.08 -4.84 120.40 112.59 1j96 s VAL 8 Ca 0.39 -0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 1j96 s VAL 8 Cb 0.06 -1.07 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1j96 s VAL 8 CO 0.14 0.36 1.13 -0.75 -3.33 0.00 0.00 175.10 172.65 1j96 s LYS 9 N -0.26 4.15 0.78 1.54 2.20 -1.26 -1.34 119.74 125.55 1j96 s LYS 9 Ca 0.04 1.32 -0.12 0.00 -0.36 0.00 0.00 55.97 56.85 1j96 s LYS 9 Cb -0.07 -3.72 0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1j96 s LYS 9 CO -0.00 -0.79 1.10 -0.51 -0.36 0.00 0.00 175.35 174.79 1j96 s LEU 10 N 3.54 2.66 0.00 5.43 1.43 0.86 -4.95 118.68 127.65 1j96 s LEU 10 Ca 0.48 1.22 0.18 0.00 -1.03 0.00 0.00 54.13 54.99 1j96 s LEU 10 Cb -0.16 -3.87 1.01 0.00 0.03 0.00 0.00 46.19 43.20 1j96 s LEU 10 CO 0.13 -1.81 1.52 -0.46 0.23 0.00 0.00 176.35 175.95 1j96 n ASN 11 N -3.32 0.00 -0.77 2.29 0.23 -1.26 -1.48 115.26 110.95 1j96 n ASN 11 Ca 0.07 -0.28 0.07 0.00 -0.53 0.00 0.00 54.58 53.91 1j96 n ASN 11 Cb 0.57 -0.14 0.16 0.00 -2.08 0.00 0.00 39.78 38.29 1j96 n ASN 11 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1j96 n ASP 12 N -1.14 2.95 0.00 0.53 5.75 -1.26 -4.98 116.55 118.40 1j96 n ASP 12 Ca 0.11 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1j96 n ASP 12 Cb 0.10 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1j96 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j96 n GLY 13 N 0.82 1.91 3.86 6.12 0.00 -0.55 -5.06 105.19 112.30 1j96 n GLY 13 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1j96 n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j96 s HIS 14 N -2.34 3.51 -0.12 1.61 3.76 -1.26 -4.77 115.29 115.68 1j96 s HIS 14 Ca 0.00 1.27 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 1j96 s HIS 14 Cb 0.00 -2.80 -0.02 0.00 1.11 0.00 0.00 32.58 30.88 1j96 s HIS 14 CO 0.00 -0.85 -0.12 -0.06 -0.85 0.00 0.00 174.74 172.87 1j96 s PHE 15 N -3.19 2.83 -0.17 1.40 0.40 -1.26 -0.10 117.98 117.90 1j96 s PHE 15 Ca 0.56 -0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1j96 s PHE 15 Cb -0.11 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1j96 s PHE 15 CO 0.54 -0.10 -0.06 1.41 0.70 0.00 0.00 175.22 177.71 1j96 s MET 16 N 0.12 3.52 0.35 0.44 -2.45 -0.45 -4.90 119.30 115.93 1j96 s MET 16 Ca -0.05 -0.59 -0.29 0.00 -1.25 0.00 0.00 55.69 53.51 1j96 s MET 16 Cb -0.15 -2.88 -0.11 0.00 1.25 0.00 0.00 34.83 32.95 1j96 s MET 16 CO 0.04 0.11 1.47 -2.14 1.05 0.00 0.00 175.02 175.55 1j96 s PRO 17 N 0.69 4.16 0.17 4.11 0.02 -1.26 -0.90 135.00 141.99 1j96 s PRO 17 Ca -0.03 2.50 0.26 0.00 0.02 0.00 0.00 61.00 63.75 1j96 s PRO 17 Cb -0.15 -3.00 0.91 0.00 0.02 0.00 0.00 34.50 32.28 1j96 s PRO 17 CO 0.02 -0.48 1.79 1.33 -0.33 0.00 0.00 177.00 179.33 1j96 n VAL 18 N 0.87 0.52 -4.08 3.83 0.24 -0.61 -4.57 118.33 114.53 1j96 n VAL 18 Ca 0.02 -0.15 -0.34 0.00 -2.04 0.00 0.00 64.34 61.83 1j96 n VAL 18 Cb 0.39 -0.65 -0.14 0.00 -1.47 0.00 0.00 33.84 31.97 1j96 n VAL 18 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1j96 s LEU 19 N -4.17 2.71 0.13 1.34 2.96 -1.26 -1.46 118.68 118.92 1j96 s LEU 19 Ca 0.10 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1j96 s LEU 19 Cb 0.13 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1j96 s LEU 19 CO 0.55 0.01 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.57 1j96 s GLY 20 N 1.27 1.68 -0.28 7.98 0.00 0.37 -4.07 107.32 114.26 1j96 s GLY 20 Ca 0.03 -1.40 -0.17 0.00 0.00 0.00 0.00 44.72 43.18 1j96 s GLY 20 CO -0.04 -1.39 0.48 -0.12 0.00 0.00 0.00 173.10 172.04 1j96 s PHE 21 N -1.21 3.24 0.19 1.90 5.36 0.64 -1.06 117.98 127.04 1j96 s PHE 21 Ca 0.18 0.48 -0.25 0.00 -0.96 0.00 0.00 56.93 56.38 1j96 s PHE 21 Cb -0.10 -2.74 -0.08 0.00 -0.34 0.00 0.00 43.02 39.76 1j96 s PHE 21 CO 0.10 -0.33 0.79 0.20 -1.46 0.00 0.00 175.22 174.52 1j96 s GLY 22 N 1.62 2.89 0.00 13.12 0.00 -0.41 -0.90 107.32 123.64 1j96 s GLY 22 Ca 0.19 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.30 1j96 s GLY 22 CO 0.10 0.86 0.49 -1.30 0.00 0.00 0.00 173.10 173.25 1j96 n THR 23 N 1.42 0.00 -2.45 0.90 -2.24 -1.11 -4.24 114.28 106.55 1j96 n THR 23 Ca -0.05 -0.49 -0.39 0.00 -2.27 0.00 0.00 64.05 60.85 1j96 n THR 23 Cb 0.49 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1j96 n THR 23 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1j96 s TYR 24 N -0.38 3.43 -0.03 4.78 5.04 -1.26 -4.99 117.35 123.95 1j96 s TYR 24 Ca 0.02 1.66 -0.12 0.00 -2.44 0.00 0.00 57.07 56.20 1j96 s TYR 24 Cb 0.02 -3.28 0.02 0.00 0.35 0.00 0.00 41.96 39.07 1j96 s TYR 24 CO 0.04 -0.70 0.25 0.00 -1.34 0.00 0.00 175.55 173.80 1j96 s ALA 25 N -1.30 -0.63 0.75 3.97 0.00 -1.26 -4.99 121.76 118.29 1j96 s ALA 25 Ca 0.49 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 1j96 s ALA 25 Cb -0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1j96 s ALA 25 CO 0.38 -0.22 0.52 -2.30 0.00 0.00 0.00 175.76 174.14 1j96 n PRO 26 N 1.63 0.23 0.31 0.00 -0.02 -1.26 -4.87 135.00 131.02 1j96 n PRO 26 Ca -0.20 0.12 0.20 0.00 -2.02 0.00 0.00 63.50 61.60 1j96 n PRO 26 Cb 0.56 -1.83 1.00 0.00 -0.02 0.00 0.00 33.50 33.21 1j96 n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j96 h ALA 27 N -0.51 1.05 -0.68 3.55 0.00 -2.01 -1.38 119.26 119.28 1j96 h ALA 27 Ca -0.45 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1j96 h ALA 27 Cb 1.34 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1j96 h ALA 27 CO 0.42 0.02 0.45 0.93 0.00 0.00 0.00 179.25 181.06 1j96 h GLU 28 N 0.00 0.68 -6.15 0.00 4.39 -2.06 -3.41 114.58 108.04 1j96 h GLU 28 Ca -0.00 -0.04 -0.57 0.00 0.34 0.00 0.00 59.36 59.09 1j96 h GLU 28 Cb 0.19 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1j96 h GLU 28 CO 0.00 0.45 0.77 0.08 -1.16 0.00 0.00 179.01 179.15 1j96 s VAL 29 N -5.63 4.58 0.46 3.13 1.01 -0.52 -5.02 120.40 118.41 1j96 s VAL 29 Ca -0.09 1.90 -0.24 0.00 0.00 0.00 0.00 61.98 63.54 1j96 s VAL 29 Cb 0.19 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1j96 s VAL 29 CO 0.77 -0.12 1.26 -2.65 0.00 0.00 0.00 175.10 174.35 1j96 n PRO 30 N 6.03 1.79 0.25 2.72 -0.02 -1.26 -4.89 135.00 139.61 1j96 n PRO 30 Ca 0.12 0.64 0.17 0.00 -2.02 0.00 0.00 63.50 62.41 1j96 n PRO 30 Cb 0.46 -2.40 0.79 0.00 -0.02 0.00 0.00 33.50 32.33 1j96 n PRO 30 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1j96 h LYS 31 N 1.81 0.00 -0.28 -0.52 1.79 -1.95 -2.08 116.57 115.33 1j96 h LYS 31 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1j96 h LYS 31 Cb 1.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 1j96 h LYS 31 CO 0.58 0.00 0.18 0.66 -1.08 0.00 0.00 179.45 179.80 1j96 h SER 32 N 0.00 0.33 0.07 0.86 4.64 -2.01 0.01 113.55 117.45 1j96 h SER 32 Ca 0.00 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1j96 h SER 32 Cb 0.28 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1j96 h SER 32 CO 0.00 0.24 -0.27 0.11 -0.87 0.00 0.00 176.83 176.04 1j96 h LYS 33 N 0.39 0.32 -0.30 4.77 1.79 -1.74 -2.25 116.57 119.54 1j96 h LYS 33 Ca 0.10 -0.12 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1j96 h LYS 33 Cb -0.04 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1j96 h LYS 33 CO -0.02 0.58 -0.24 0.00 -1.08 0.00 0.00 179.45 178.69 1j96 h ALA 34 N 1.43 0.44 -0.08 3.86 0.00 -1.13 0.16 119.26 123.93 1j96 h ALA 34 Ca 0.04 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1j96 h ALA 34 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1j96 h ALA 34 CO 0.05 0.41 0.00 1.25 0.00 0.00 0.00 179.25 180.96 1j96 h LEU 35 N 0.45 -0.03 -0.57 0.00 5.85 -1.40 -1.77 115.31 117.84 1j96 h LEU 35 Ca 0.06 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 1j96 h LEU 35 Cb 0.80 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1j96 h LEU 35 CO 0.06 -0.00 -0.38 1.05 -0.34 0.00 0.00 178.44 178.84 1j96 h GLU 36 N 0.03 0.73 -0.65 1.25 4.11 -1.40 -2.38 114.58 116.27 1j96 h GLU 36 Ca 0.04 -0.37 -0.03 0.00 0.07 0.00 0.00 59.36 59.06 1j96 h GLU 36 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1j96 h GLU 36 CO -0.06 0.99 0.27 0.00 0.07 0.00 0.00 179.01 180.28 1j96 h ALA 37 N 0.97 0.85 -0.69 1.06 0.00 -0.79 -0.79 119.26 119.87 1j96 h ALA 37 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1j96 h ALA 37 Cb 0.92 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1j96 h ALA 37 CO 0.08 0.45 0.19 0.28 0.00 0.00 0.00 179.25 180.25 1j96 h VAL 38 N 0.91 1.26 -0.54 0.00 2.07 -1.26 0.12 116.25 118.81 1j96 h VAL 38 Ca 0.22 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1j96 h VAL 38 Cb 0.19 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1j96 h VAL 38 CO -0.02 0.36 0.36 0.11 0.02 0.00 0.00 177.57 178.39 1j96 h LYS 39 N 1.02 0.70 -0.78 1.57 1.57 -1.14 -1.21 116.57 118.32 1j96 h LYS 39 Ca 0.22 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1j96 h LYS 39 Cb 0.34 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1j96 h LYS 39 CO -0.00 0.47 0.28 -0.07 -0.57 0.00 0.00 179.45 179.56 1j96 h LEU 40 N 0.73 1.10 -0.39 2.94 3.38 -0.79 -1.58 115.31 120.69 1j96 h LEU 40 Ca 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1j96 h LEU 40 Cb -0.08 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 1j96 h LEU 40 CO -0.04 0.99 0.15 0.00 0.09 0.00 0.00 178.44 179.63 1j96 h ALA 41 N 1.16 0.51 -0.55 1.53 0.00 -0.40 -0.21 119.26 121.30 1j96 h ALA 41 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1j96 h ALA 41 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1j96 h ALA 41 CO -0.02 0.12 0.24 0.82 0.00 0.00 0.00 179.25 180.41 1j96 h ILE 42 N 0.48 1.21 -1.00 0.00 2.04 -1.04 -1.15 117.51 118.06 1j96 h ILE 42 Ca 0.13 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1j96 h ILE 42 Cb 0.20 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1j96 h ILE 42 CO -0.01 0.25 0.66 -0.08 0.00 0.00 0.00 178.15 178.96 1j96 h GLU 43 N 0.74 1.25 0.00 2.37 4.57 -1.04 -2.37 114.58 120.10 1j96 h GLU 43 Ca 0.18 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1j96 h GLU 43 Cb 0.16 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1j96 h GLU 43 CO -0.02 0.82 0.00 0.00 -1.18 0.00 0.00 179.01 178.64 1j96 h ALA 44 N 1.40 1.00 0.00 2.92 0.00 -0.55 -3.47 119.26 120.56 1j96 h ALA 44 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1j96 h ALA 44 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1j96 h ALA 44 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1j96 n GLY 45 N 0.32 1.28 3.75 0.00 0.00 -0.87 -4.94 105.19 104.72 1j96 n GLY 45 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1j96 n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j96 s PHE 46 N -2.00 3.49 -0.09 1.61 0.08 -0.49 -4.93 117.98 115.65 1j96 s PHE 46 Ca 0.00 1.55 0.01 0.00 0.12 0.00 0.00 56.93 58.61 1j96 s PHE 46 Cb 0.00 -3.37 -0.00 0.00 -0.57 0.00 0.00 43.02 39.08 1j96 s PHE 46 CO 0.00 -0.91 0.21 0.72 -0.10 0.00 0.00 175.22 175.14 1j96 n HIS 47 N 1.95 0.00 -4.78 0.36 8.25 -1.26 -4.35 115.22 115.38 1j96 n HIS 47 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.16 1j96 n HIS 47 Cb 0.45 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.39 1j96 n HIS 47 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1j96 s HIS 48 N -0.78 2.51 -0.10 4.41 5.65 -1.26 -0.07 115.29 125.66 1j96 s HIS 48 Ca 0.01 -1.19 0.02 0.00 0.25 0.00 0.00 55.06 54.14 1j96 s HIS 48 Cb 0.01 -1.71 0.01 0.00 -1.18 0.00 0.00 32.58 29.71 1j96 s HIS 48 CO 0.04 -0.54 -0.15 0.42 -0.65 0.00 0.00 174.74 173.86 1j96 s ILE 49 N 0.72 1.46 -0.20 0.89 1.01 -0.07 -0.26 121.20 124.74 1j96 s ILE 49 Ca -0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1j96 s ILE 49 Cb -0.16 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 1j96 s ILE 49 CO 0.01 0.43 -0.04 -0.62 0.00 0.00 0.00 174.94 174.72 1j96 s ASP 50 N 0.85 4.46 0.00 3.58 2.15 -0.08 -1.45 116.67 126.18 1j96 s ASP 50 Ca -0.10 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.57 1j96 s ASP 50 Cb -0.15 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 1j96 s ASP 50 CO 0.01 0.03 0.00 -0.24 -0.17 0.00 0.00 175.17 174.80 1j96 n SER 51 N 4.46 0.00 -3.58 -0.34 2.88 -0.46 -2.77 113.62 113.81 1j96 n SER 51 Ca -0.18 -0.44 -0.07 0.00 -1.33 0.00 0.00 58.87 56.86 1j96 n SER 51 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1j96 n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j96 s ALA 52 N -1.97 -1.98 0.19 -1.46 0.00 -1.26 -3.94 121.76 111.34 1j96 s ALA 52 Ca 0.00 1.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 1j96 s ALA 52 Cb 0.00 -0.44 0.13 0.00 0.00 0.00 0.00 23.12 22.81 1j96 s ALA 52 CO 0.00 -0.46 1.84 1.25 0.00 0.00 0.00 175.76 178.39 1j96 h HIS 53 N 2.21 0.72 0.00 0.00 -0.00 -1.93 -2.67 115.15 113.48 1j96 h HIS 53 Ca -0.15 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1j96 h HIS 53 Cb 1.18 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 1j96 h HIS 53 CO 0.27 0.43 0.00 1.55 -0.00 0.00 0.00 177.93 180.17 1j96 n VAL 54 N -4.71 1.10 0.56 5.26 3.14 -1.26 -2.28 118.33 120.14 1j96 n VAL 54 Ca 0.05 0.31 0.12 0.00 -2.96 0.00 0.00 64.34 61.86 1j96 n VAL 54 Cb 0.06 -1.15 0.45 0.00 -1.06 0.00 0.00 33.84 32.15 1j96 n VAL 54 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1j96 n TYR 55 N -1.72 0.79 -3.67 1.45 4.01 -1.01 -4.93 117.16 112.09 1j96 n TYR 55 Ca 0.02 0.26 -0.24 0.00 -0.16 0.00 0.00 57.90 57.79 1j96 n TYR 55 Cb 0.15 -0.92 0.06 0.00 -0.31 0.00 0.00 39.34 38.32 1j96 n TYR 55 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1j96 n ASN 56 N -2.17 -4.32 0.00 7.72 5.15 -0.96 -4.88 115.26 115.79 1j96 n ASN 56 Ca 0.04 -0.66 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 1j96 n ASN 56 Cb 0.34 -4.59 0.00 0.00 -0.53 0.00 0.00 39.78 35.00 1j96 n ASN 56 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1j96 n ASN 57 N -3.00 0.00 0.12 1.20 0.23 -1.26 -4.91 115.26 107.65 1j96 n ASN 57 Ca -0.09 -1.00 0.04 0.00 -0.53 0.00 0.00 54.58 53.00 1j96 n ASN 57 Cb 0.59 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.73 1j96 n ASN 57 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1j96 h GLU 58 N 0.00 0.25 -0.27 -3.83 5.08 -1.90 0.50 114.58 114.42 1j96 h GLU 58 Ca 0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1j96 h GLU 58 Cb 0.82 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1j96 h GLU 58 CO 0.00 0.30 0.11 1.49 -1.00 0.00 0.00 179.01 179.91 1j96 h GLU 59 N 0.24 0.23 -0.27 2.33 4.81 -1.91 0.27 114.58 120.28 1j96 h GLU 59 Ca 0.06 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1j96 h GLU 59 Cb 0.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1j96 h GLU 59 CO 0.01 0.15 -0.17 1.96 -0.73 0.00 0.00 179.01 180.23 1j96 h GLN 60 N 0.24 0.58 -0.53 1.92 7.50 -1.63 -2.21 115.11 120.97 1j96 h GLN 60 Ca 0.11 -0.27 -0.06 0.00 0.50 0.00 0.00 58.65 58.94 1j96 h GLN 60 Cb 0.07 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.57 1j96 h GLN 60 CO -0.11 0.85 0.11 0.28 -1.50 0.00 0.00 178.83 178.47 1j96 h VAL 61 N 0.31 1.25 -0.68 -0.54 2.07 -0.82 -1.25 116.25 116.58 1j96 h VAL 61 Ca 0.05 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1j96 h VAL 61 Cb 0.70 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1j96 h VAL 61 CO 0.05 0.33 0.26 1.23 0.02 0.00 0.00 177.57 179.46 1j96 h GLY 62 N 0.75 1.10 1.05 2.17 0.00 -0.98 -2.12 103.07 105.05 1j96 h GLY 62 Ca 0.16 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1j96 h GLY 62 CO 0.01 0.57 0.30 -2.00 0.00 0.00 0.00 176.54 175.42 1j96 h LEU 63 N 0.97 1.10 -0.25 3.11 5.85 -1.18 -0.78 115.31 124.14 1j96 h LEU 63 Ca 0.23 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1j96 h LEU 63 Cb 0.23 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1j96 h LEU 63 CO -0.02 0.98 0.16 0.00 -0.34 0.00 0.00 178.44 179.22 1j96 h ALA 64 N 1.16 0.32 -0.19 1.25 0.00 -0.95 0.61 119.26 121.45 1j96 h ALA 64 Ca 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1j96 h ALA 64 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1j96 h ALA 64 CO -0.02 -0.19 0.08 0.82 0.00 0.00 0.00 179.25 179.94 1j96 h ILE 65 N 0.32 0.98 -0.46 0.00 2.04 -1.14 -1.76 117.51 117.49 1j96 h ILE 65 Ca 0.09 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1j96 h ILE 65 Cb -0.01 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1j96 h ILE 65 CO -0.02 0.03 0.09 0.03 0.00 0.00 0.00 178.15 178.28 1j96 h ARG 66 N 0.18 0.70 -0.64 2.37 3.08 -0.90 -1.24 114.38 117.93 1j96 h ARG 66 Ca 0.08 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1j96 h ARG 66 Cb 0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1j96 h ARG 66 CO -0.07 0.66 0.12 1.03 -1.07 0.00 0.00 179.97 180.64 1j96 h SER 67 N 0.68 1.01 1.19 7.04 0.87 -0.60 -0.74 113.55 123.00 1j96 h SER 67 Ca 0.15 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 1j96 h SER 67 Cb 0.29 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1j96 h SER 67 CO 0.00 1.01 -0.34 0.11 -0.53 0.00 0.00 176.83 177.08 1j96 h LYS 68 N 0.97 0.00 0.00 2.24 1.79 -0.92 -1.81 116.57 118.84 1j96 h LYS 68 Ca 0.20 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.49 1j96 h LYS 68 Cb 0.42 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1j96 h LYS 68 CO 0.01 0.34 -0.71 0.82 -1.08 0.00 0.00 179.45 178.84 1j96 h ILE 69 N 0.00 1.40 -0.06 1.86 2.04 -1.06 -1.54 117.51 120.16 1j96 h ILE 69 Ca -0.00 -2.13 -0.07 0.00 1.00 0.00 0.00 64.86 63.66 1j96 h ILE 69 Cb 1.03 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 1j96 h ILE 69 CO 0.04 0.63 -0.29 0.00 0.00 0.00 0.00 178.15 178.53 1j96 h ALA 70 N 0.33 1.42 -0.15 1.87 0.00 -1.01 -2.37 119.26 119.35 1j96 h ALA 70 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1j96 h ALA 70 Cb 1.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1j96 h ALA 70 CO 0.14 0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 1j96 n ASP 71 N -4.16 1.45 0.00 0.00 5.68 -0.69 -4.93 116.55 113.89 1j96 n ASP 71 Ca -0.02 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1j96 n ASP 71 Cb 0.36 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1j96 n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j96 n GLY 72 N 1.08 0.63 0.18 6.12 0.00 -0.89 -4.94 105.19 107.37 1j96 n GLY 72 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1j96 n GLY 72 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j96 h SER 73 N 0.00 0.23 -5.05 1.61 0.02 -1.52 -3.46 113.55 105.38 1j96 h SER 73 Ca 0.00 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 1j96 h SER 73 Cb 0.00 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 62.32 1j96 h SER 73 CO 0.00 0.69 -0.08 0.54 -1.14 0.00 0.00 176.83 176.84 1j96 s VAL 74 N -3.98 0.06 0.15 2.27 0.11 -1.02 -5.02 120.40 112.96 1j96 s VAL 74 Ca -0.04 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1j96 s VAL 74 Cb 0.13 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1j96 s VAL 74 CO 0.78 -0.27 0.24 -0.54 -3.33 0.00 0.00 175.10 171.98 1j96 s LYS 75 N -3.08 3.29 0.37 1.54 1.02 -1.26 -4.10 119.74 117.52 1j96 s LYS 75 Ca -0.02 -0.67 0.05 0.00 0.02 0.00 0.00 55.97 55.36 1j96 s LYS 75 Cb 0.00 -2.88 0.74 0.00 -0.52 0.00 0.00 37.83 35.18 1j96 s LYS 75 CO -0.07 0.51 1.99 -0.09 -0.92 0.00 0.00 175.35 176.78 1j96 h ARG 76 N 2.23 0.72 0.00 1.68 9.65 -1.96 -0.33 114.38 126.37 1j96 h ARG 76 Ca -0.48 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1j96 h ARG 76 Cb 1.20 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 1j96 h ARG 76 CO 0.67 0.47 0.00 -0.85 2.80 0.00 0.00 179.97 183.07 1j96 n GLU 77 N -4.47 0.14 -0.46 0.20 0.00 -1.26 -1.96 120.64 112.84 1j96 n GLU 77 Ca 0.08 0.40 0.08 0.00 0.00 0.00 0.00 57.16 57.72 1j96 n GLU 77 Cb 0.15 -1.78 0.28 0.00 0.00 0.00 0.00 31.44 30.09 1j96 n GLU 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1j96 n ASP 78 N -2.05 4.09 -4.34 -1.84 8.00 -0.14 -4.89 116.55 115.37 1j96 n ASP 78 Ca 0.02 -2.46 -0.33 0.00 0.71 0.00 0.00 54.79 52.74 1j96 n ASP 78 Cb 0.20 -0.48 -0.15 0.00 -0.02 0.00 0.00 41.12 40.67 1j96 n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j96 s ILE 79 N -1.85 2.73 -0.38 0.53 -1.09 -0.83 -4.74 121.20 115.57 1j96 s ILE 79 Ca 0.42 -0.79 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1j96 s ILE 79 Cb 0.28 -2.10 0.09 0.00 -1.58 0.00 0.00 42.46 39.15 1j96 s ILE 79 CO 0.19 0.55 0.16 0.12 -1.23 0.00 0.00 174.94 174.72 1j96 s PHE 80 N 0.16 3.49 -0.18 3.97 2.19 0.90 -4.94 117.98 123.58 1j96 s PHE 80 Ca -0.09 -2.20 -0.06 0.00 0.33 0.00 0.00 56.93 54.91 1j96 s PHE 80 Cb -0.16 -2.92 -0.04 0.00 -1.31 0.00 0.00 43.02 38.60 1j96 s PHE 80 CO 0.06 -0.92 0.03 -0.47 1.83 0.00 0.00 175.22 175.75 1j96 s TYR 81 N 1.20 3.16 -0.12 10.12 5.04 -1.26 -0.90 117.35 134.59 1j96 s TYR 81 Ca 0.05 -0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.56 1j96 s TYR 81 Cb -0.22 -2.05 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 1j96 s TYR 81 CO -0.03 0.04 -0.05 0.99 -1.34 0.00 0.00 175.55 175.16 1j96 s THR 82 N 0.48 3.81 0.39 4.34 2.01 -0.53 -0.73 115.64 125.41 1j96 s THR 82 Ca 0.01 -0.41 0.06 0.00 0.31 0.00 0.00 61.69 61.66 1j96 s THR 82 Cb -0.13 -2.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.68 1j96 s THR 82 CO 0.01 0.54 0.02 -0.55 -0.69 0.00 0.00 174.62 173.96 1j96 s SER 83 N -0.15 3.57 -0.01 3.53 0.15 -0.48 -1.36 113.70 118.97 1j96 s SER 83 Ca 0.02 -1.37 -0.01 0.00 0.70 0.00 0.00 55.95 55.29 1j96 s SER 83 Cb -0.13 -0.33 -0.00 0.00 -1.71 0.00 0.00 66.02 63.85 1j96 s SER 83 CO 0.03 -0.49 0.02 -0.54 1.20 0.00 0.00 173.24 173.46 1j96 s LYS 84 N -3.75 0.07 -0.35 5.44 1.02 -1.25 -1.87 119.74 119.05 1j96 s LYS 84 Ca 0.35 -0.05 -0.28 0.00 0.02 0.00 0.00 55.97 56.01 1j96 s LYS 84 Cb 0.10 0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.45 1j96 s LYS 84 CO 0.17 -0.01 1.05 -1.17 -0.92 0.00 0.00 175.35 174.47 1j96 s LEU 85 N -0.19 3.91 0.68 3.17 2.96 0.61 -3.11 118.68 126.71 1j96 s LEU 85 Ca -0.02 0.89 -0.11 0.00 -0.22 0.00 0.00 54.13 54.67 1j96 s LEU 85 Cb -0.01 -3.49 -0.00 0.00 0.50 0.00 0.00 46.19 43.18 1j96 s LEU 85 CO -0.00 -0.92 1.05 0.86 -1.32 0.00 0.00 176.35 176.03 1j96 s TRP 86 N 3.71 3.24 -0.98 5.38 -0.11 -1.26 -1.94 118.94 126.97 1j96 s TRP 86 Ca 0.44 1.39 0.10 0.00 1.22 0.00 0.00 56.10 59.25 1j96 s TRP 86 Cb -0.12 -2.84 0.42 0.00 -1.50 0.00 0.00 33.47 29.43 1j96 s TRP 86 CO 0.18 -1.10 1.31 0.43 -4.62 0.00 0.00 176.95 173.15 1j96 n SER 87 N -3.03 0.02 -0.19 5.86 7.64 -1.26 -1.61 113.62 121.05 1j96 n SER 87 Ca 0.07 0.51 0.15 0.00 1.01 0.00 0.00 58.87 60.61 1j96 n SER 87 Cb 0.54 -0.51 0.72 0.00 -1.01 0.00 0.00 64.21 63.95 1j96 n SER 87 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1j96 n ASN 88 N -1.53 0.61 -0.81 6.43 6.94 -1.26 -1.23 115.26 124.41 1j96 n ASN 88 Ca 0.02 -1.04 0.05 0.00 -0.02 0.00 0.00 54.58 53.60 1j96 n ASN 88 Cb 0.11 -0.02 0.14 0.00 -2.36 0.00 0.00 39.78 37.65 1j96 n ASN 88 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1j96 n SER 89 N -0.61 1.48 0.19 0.53 7.64 -0.63 -3.93 113.62 118.28 1j96 n SER 89 Ca 0.20 -3.19 0.05 0.00 1.01 0.00 0.00 58.87 56.94 1j96 n SER 89 Cb 0.23 -0.44 0.36 0.00 -1.01 0.00 0.00 64.21 63.36 1j96 n SER 89 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1j96 h HIS 90 N 0.86 0.00 -3.08 1.43 3.86 -1.70 -3.29 115.15 113.23 1j96 h HIS 90 Ca -0.07 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.58 1j96 h HIS 90 Cb 1.28 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.84 1j96 h HIS 90 CO 0.49 0.38 0.68 0.54 0.86 0.00 0.00 177.93 180.88 1j96 n ARG 91 N -3.71 2.30 -0.33 2.45 1.74 -1.26 -4.40 116.66 113.45 1j96 n ARG 91 Ca -0.01 0.82 0.10 0.00 -0.77 0.00 0.00 57.85 57.99 1j96 n ARG 91 Cb 0.47 -2.50 0.28 0.00 -1.02 0.00 0.00 32.46 29.69 1j96 n ARG 91 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1j96 h PRO 92 N 3.94 0.69 0.00 5.56 0.13 -1.86 0.85 132.00 141.30 1j96 h PRO 92 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1j96 h PRO 92 Cb 1.26 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1j96 h PRO 92 CO 0.73 0.45 0.00 -0.85 -0.23 0.00 0.00 178.00 178.10 1j96 n GLU 93 N -4.81 0.09 0.00 0.86 0.00 -1.26 -2.70 120.64 112.82 1j96 n GLU 93 Ca 0.21 0.19 0.07 0.00 0.00 0.00 0.00 57.16 57.63 1j96 n GLU 93 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.45 1j96 n GLU 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1j96 n LEU 94 N -1.42 1.55 0.12 -1.84 4.77 0.28 -4.62 117.00 115.84 1j96 n LEU 94 Ca 0.05 -0.77 -0.12 0.00 -0.03 0.00 0.00 56.01 55.14 1j96 n LEU 94 Cb 0.17 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1j96 n LEU 94 CO 0.14 0.30 0.48 0.58 -1.33 0.00 0.00 177.39 177.56 1j96 h VAL 95 N 1.68 0.74 -0.66 4.08 2.07 -1.36 -2.07 116.25 120.72 1j96 h VAL 95 Ca 0.00 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1j96 h VAL 95 Cb 0.50 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1j96 h VAL 95 CO 0.00 0.15 0.27 -0.09 0.02 0.00 0.00 177.57 177.93 1j96 h ARG 96 N -0.80 0.98 -0.91 1.57 2.43 -1.84 -1.54 114.38 114.27 1j96 h ARG 96 Ca -0.03 -0.17 0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1j96 h ARG 96 Cb 0.51 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.82 1j96 h ARG 96 CO 0.06 0.81 0.54 -1.35 -1.51 0.00 0.00 179.97 178.52 1j96 h PRO 97 N 0.93 0.84 -0.57 0.20 0.11 -1.81 0.60 132.00 132.30 1j96 h PRO 97 Ca 0.22 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 1j96 h PRO 97 Cb 0.19 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1j96 h PRO 97 CO -0.02 0.56 0.06 0.00 -0.21 0.00 0.00 178.00 178.38 1j96 h ALA 98 N 1.51 0.76 -0.47 -0.75 0.00 -0.72 -1.23 119.26 118.35 1j96 h ALA 98 Ca 0.45 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1j96 h ALA 98 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j96 h ALA 98 CO -0.27 0.54 0.09 1.25 0.00 0.00 0.00 179.25 180.86 1j96 h LEU 99 N 0.86 0.75 -1.11 0.00 5.85 -0.42 -1.75 115.31 119.48 1j96 h LEU 99 Ca 0.17 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1j96 h LEU 99 Cb 0.47 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1j96 h LEU 99 CO 0.02 0.81 0.22 -0.33 -0.34 0.00 0.00 178.44 178.82 1j96 h GLU 100 N 0.65 0.85 -0.43 1.25 5.08 -0.80 -0.27 114.58 120.91 1j96 h GLU 100 Ca 0.15 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1j96 h GLU 100 Cb 0.37 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1j96 h GLU 100 CO 0.01 0.71 0.03 -0.09 -1.00 0.00 0.00 179.01 178.66 1j96 h ARG 101 N 0.84 0.74 -0.25 2.33 2.43 -0.96 -0.09 114.38 119.43 1j96 h ARG 101 Ca 0.20 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1j96 h ARG 101 Cb 0.18 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1j96 h ARG 101 CO -0.02 0.79 0.16 0.77 -1.51 0.00 0.00 179.97 180.17 1j96 h SER 102 N 0.59 0.28 -0.61 -3.80 0.02 -0.95 -1.61 113.55 107.47 1j96 h SER 102 Ca 0.13 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1j96 h SER 102 Cb 0.44 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1j96 h SER 102 CO 0.02 0.22 0.36 -0.07 -1.14 0.00 0.00 176.83 176.21 1j96 h LEU 103 N 0.33 0.75 -0.66 5.07 3.38 -0.85 -0.09 115.31 123.25 1j96 h LEU 103 Ca 0.09 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1j96 h LEU 103 Cb -0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1j96 h LEU 103 CO -0.02 0.60 -0.06 0.50 0.09 0.00 0.00 178.44 179.54 1j96 h LYS 104 N 0.86 0.98 -0.61 1.13 3.64 -0.75 0.19 116.57 122.01 1j96 h LYS 104 Ca 0.22 -0.33 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 1j96 h LYS 104 Cb -0.00 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1j96 h LYS 104 CO -0.04 1.00 0.00 -0.91 -2.27 0.00 0.00 179.45 177.24 1j96 h ASN 105 N 0.89 1.05 0.78 4.20 -0.26 -0.66 -3.09 115.58 118.49 1j96 h ASN 105 Ca 0.15 -0.31 -0.13 0.00 -0.56 0.00 0.00 56.30 55.45 1j96 h ASN 105 Cb 0.61 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 1j96 h ASN 105 CO 0.04 1.10 -0.63 -0.07 -1.06 0.00 0.00 177.43 176.81 1j96 h LEU 106 N 0.97 0.00 0.46 1.61 3.38 -0.81 -3.35 115.31 117.57 1j96 h LEU 106 Ca 0.17 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.78 1j96 h LEU 106 Cb 0.56 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.38 1j96 h LEU 106 CO 0.03 0.63 -0.55 0.00 0.09 0.00 0.00 178.44 178.64 1j96 n GLN 107 N -3.64 -4.92 -4.25 1.13 1.13 0.63 -4.39 117.38 103.09 1j96 n GLN 107 Ca -0.01 0.79 -0.28 0.00 -1.94 0.00 0.00 57.00 55.56 1j96 n GLN 107 Cb 0.66 -5.45 -0.10 0.00 0.11 0.00 0.00 30.24 25.46 1j96 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1j96 s LEU 108 N -6.07 3.03 0.25 1.08 1.43 -1.13 -5.05 118.68 112.22 1j96 s LEU 108 Ca 0.32 -0.46 0.12 0.00 -1.03 0.00 0.00 54.13 53.08 1j96 s LEU 108 Cb -0.14 -1.78 0.23 0.00 0.03 0.00 0.00 46.19 44.53 1j96 s LEU 108 CO 0.40 0.15 1.52 0.44 0.23 0.00 0.00 176.35 179.09 1j96 h ASP 109 N 3.31 0.00 -5.05 2.29 3.32 -1.95 -3.44 116.42 114.89 1j96 h ASP 109 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1j96 h ASP 109 Cb 1.18 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 1j96 h ASP 109 CO 0.53 0.67 0.08 -0.72 -1.72 0.00 0.00 179.24 178.07 1j96 s TYR 110 N -3.29 -0.29 0.09 4.55 1.13 -1.26 -4.76 117.35 113.52 1j96 s TYR 110 Ca 0.00 -0.01 0.02 0.00 -1.41 0.00 0.00 57.07 55.67 1j96 s TYR 110 Cb 0.11 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 1j96 s TYR 110 CO 0.76 -0.86 0.16 0.14 -2.51 0.00 0.00 175.55 173.24 1j96 s VAL 111 N -3.82 4.95 0.15 -3.49 -7.23 -0.49 -5.00 120.40 105.48 1j96 s VAL 111 Ca 0.05 -0.64 0.13 0.00 -1.81 0.00 0.00 61.98 59.71 1j96 s VAL 111 Cb -0.01 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.50 1j96 s VAL 111 CO -0.08 0.09 1.56 0.44 -0.31 0.00 0.00 175.10 176.80 1j96 h ASP 112 N 3.01 0.00 -3.55 4.85 3.32 -1.25 -1.13 116.42 121.67 1j96 h ASP 112 Ca -0.46 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.43 1j96 h ASP 112 Cb 1.17 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.45 1j96 h ASP 112 CO 0.70 0.60 -0.37 -0.22 -1.72 0.00 0.00 179.24 178.23 1j96 s LEU 113 N -7.11 0.45 -0.10 1.55 2.96 -0.90 -1.38 118.68 114.15 1j96 s LEU 113 Ca 0.00 0.67 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 1j96 s LEU 113 Cb 0.11 1.05 0.01 0.00 0.50 0.00 0.00 46.19 47.86 1j96 s LEU 113 CO 0.75 -0.15 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.99 1j96 s TYR 114 N 0.80 2.05 0.10 5.38 5.04 -0.71 -1.38 117.35 128.62 1j96 s TYR 114 Ca -0.05 -0.90 0.08 0.00 -2.44 0.00 0.00 57.07 53.76 1j96 s TYR 114 Cb -0.06 -1.44 -0.04 0.00 0.35 0.00 0.00 41.96 40.77 1j96 s TYR 114 CO -0.06 -0.43 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.06 1j96 s LEU 115 N 0.74 2.77 -0.29 6.97 1.43 -0.78 -1.61 118.68 127.91 1j96 s LEU 115 Ca -0.12 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 1j96 s LEU 115 Cb -0.16 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1j96 s LEU 115 CO 0.02 0.19 1.41 -0.63 0.23 0.00 0.00 176.35 177.57 1j96 s ILE 116 N -1.12 3.98 0.09 -0.59 1.01 -0.90 -0.28 121.20 123.39 1j96 s ILE 116 Ca 0.18 1.10 -0.18 0.00 0.00 0.00 0.00 60.65 61.75 1j96 s ILE 116 Cb -0.11 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.27 1j96 s ILE 116 CO 0.10 -0.45 1.56 -0.74 0.00 0.00 0.00 174.94 175.41 1j96 h HIS 117 N 9.89 0.49 -2.63 3.97 2.76 -1.66 -0.62 115.15 127.35 1j96 h HIS 117 Ca -0.28 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 57.70 1j96 h HIS 117 Cb 1.11 -0.13 -0.24 0.00 1.55 0.00 0.00 27.41 29.70 1j96 h HIS 117 CO 0.90 0.58 -0.21 0.12 -1.30 0.00 0.00 177.93 178.01 1j96 s PHE 118 N -5.12 -0.55 -1.16 5.26 2.19 -1.26 -4.27 117.98 113.08 1j96 s PHE 118 Ca -0.14 1.26 0.24 0.00 0.33 0.00 0.00 56.93 58.63 1j96 s PHE 118 Cb 0.08 0.21 1.11 0.00 -1.31 0.00 0.00 43.02 43.11 1j96 s PHE 118 CO 0.75 -0.28 1.79 -0.35 1.83 0.00 0.00 175.22 178.96 1j96 n PRO 119 N 3.30 0.13 -3.28 10.12 -0.04 -1.26 -4.71 135.00 139.26 1j96 n PRO 119 Ca -0.16 0.07 -0.38 0.00 -0.04 0.00 0.00 63.50 62.99 1j96 n PRO 119 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1j96 n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1j96 s VAL 120 N -2.84 5.11 0.07 0.52 1.01 -1.26 -4.85 120.40 118.17 1j96 s VAL 120 Ca 0.16 1.05 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 1j96 s VAL 120 Cb 0.16 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1j96 s VAL 120 CO 0.41 0.35 0.41 -0.44 0.00 0.00 0.00 175.10 175.84 1j96 s SER 121 N 0.37 6.68 0.17 3.32 0.01 -1.26 -4.73 113.70 118.25 1j96 s SER 121 Ca 0.28 0.84 0.09 0.00 1.31 0.00 0.00 55.95 58.46 1j96 s SER 121 Cb -0.16 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1j96 s SER 121 CO 0.13 0.19 -0.18 0.68 0.41 0.00 0.00 173.24 174.47 1j96 s VAL 122 N -1.36 1.83 0.44 3.43 -7.23 -0.36 -1.42 120.40 115.73 1j96 s VAL 122 Ca 0.32 -1.96 -0.26 0.00 -1.81 0.00 0.00 61.98 58.28 1j96 s VAL 122 Cb -0.14 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 1j96 s VAL 122 CO 0.17 -0.34 1.44 -0.75 -0.31 0.00 0.00 175.10 175.31 1j96 s LYS 123 N -2.89 3.74 0.62 4.82 2.20 -0.08 -4.17 119.74 123.98 1j96 s LYS 123 Ca 0.17 2.46 -0.18 0.00 -0.36 0.00 0.00 55.97 58.05 1j96 s LYS 123 Cb -0.05 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.54 1j96 s LYS 123 CO 0.07 -0.79 1.22 -1.25 -0.36 0.00 0.00 175.35 174.25 1j96 s PRO 124 N -2.40 2.82 0.00 4.03 0.05 -1.25 -4.74 135.00 133.50 1j96 s PRO 124 Ca 0.60 1.86 0.00 0.00 0.05 0.00 0.00 61.00 63.51 1j96 s PRO 124 Cb -0.44 -1.90 0.00 0.00 0.05 0.00 0.00 34.50 32.20 1j96 s PRO 124 CO 0.58 -1.33 0.00 0.41 0.05 0.00 0.00 177.00 176.70 1j96 n GLY 125 N 0.56 -0.36 0.19 0.56 0.00 -1.26 -4.92 105.19 99.96 1j96 n GLY 125 Ca 0.14 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.51 1j96 n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j96 h GLU 126 N 3.99 0.00 -6.28 1.61 4.39 -1.98 -3.43 114.58 112.88 1j96 h GLU 126 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1j96 h GLU 126 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1j96 h GLU 126 CO 0.00 0.37 0.97 -1.21 -1.16 0.00 0.00 179.01 177.98 1j96 s GLU 127 N -3.70 4.22 0.36 2.33 2.02 -1.26 -4.91 118.70 117.76 1j96 s GLU 127 Ca -0.00 2.01 0.19 0.00 0.02 0.00 0.00 54.97 57.19 1j96 s GLU 127 Cb 0.11 -3.80 0.22 0.00 0.10 0.00 0.00 34.13 30.77 1j96 s GLU 127 CO 0.69 -0.73 1.53 -0.39 0.02 0.00 0.00 175.26 176.38 1j96 h VAL 128 N 5.32 0.47 -2.44 2.63 -1.51 -1.95 -3.35 116.25 115.42 1j96 h VAL 128 Ca -0.36 -1.64 -0.59 0.00 -1.23 0.00 0.00 66.70 62.87 1j96 h VAL 128 Cb 1.16 2.21 -0.40 0.00 -2.13 0.00 0.00 31.29 32.14 1j96 h VAL 128 CO 0.94 0.27 -0.87 -0.38 -1.23 0.00 0.00 177.57 176.30 1j96 n ILE 129 N -3.17 -0.04 -2.08 7.19 5.41 -1.26 -4.73 119.36 120.68 1j96 n ILE 129 Ca 0.03 -4.09 -0.42 0.00 1.00 0.00 0.00 62.75 59.27 1j96 n ILE 129 Cb 0.63 -1.89 -0.03 0.00 -0.71 0.00 0.00 39.64 37.64 1j96 n ILE 129 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1j96 s PRO 130 N -0.84 4.24 -0.02 0.38 0.04 -1.26 -4.96 135.00 132.58 1j96 s PRO 130 Ca 0.32 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.55 1j96 s PRO 130 Cb 0.06 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 1j96 s PRO 130 CO -0.15 -0.65 -0.13 0.15 0.04 0.00 0.00 177.00 176.26 1j96 s LYS 131 N 2.43 2.45 0.30 4.56 1.02 -1.26 -0.38 119.74 128.86 1j96 s LYS 131 Ca 0.69 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.79 1j96 s LYS 131 Cb -0.36 -2.39 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 1j96 s LYS 131 CO 0.29 0.61 0.70 0.42 -0.92 0.00 0.00 175.35 176.45 1j96 s ILE 137 N -0.84 4.72 -0.91 2.17 1.01 -1.26 -5.17 121.20 120.92 1j96 s ILE 137 Ca 0.13 0.88 -0.16 0.00 0.00 0.00 0.00 60.65 61.51 1j96 s ILE 137 Cb -0.11 -3.62 0.19 0.00 0.01 0.00 0.00 42.46 38.92 1j96 s ILE 137 CO 0.03 -0.14 0.97 -0.76 0.00 0.00 0.00 174.94 175.04 1j96 s LEU 138 N -2.89 5.96 0.52 2.97 1.02 0.49 -5.04 118.68 121.71 1j96 s LEU 138 Ca 0.52 -2.51 -0.19 0.00 0.02 0.00 0.00 54.13 51.97 1j96 s LEU 138 Cb -0.11 -2.30 -0.07 0.00 0.02 0.00 0.00 46.19 43.74 1j96 s LEU 138 CO 0.18 -0.76 1.05 -0.36 0.02 0.00 0.00 176.35 176.48 1j96 s PHE 139 N 1.15 2.98 0.21 0.29 0.40 -1.26 -0.90 117.98 120.85 1j96 s PHE 139 Ca 0.26 1.55 0.11 0.00 -0.60 0.00 0.00 56.93 58.25 1j96 s PHE 139 Cb -0.08 -3.06 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 1j96 s PHE 139 CO -0.09 -0.96 -0.22 0.34 0.70 0.00 0.00 175.22 175.00 1j96 s ASP 140 N -2.25 3.31 -0.37 1.36 2.15 -0.51 -4.48 116.67 115.89 1j96 s ASP 140 Ca 0.66 -0.90 -0.06 0.00 0.43 0.00 0.00 52.55 52.68 1j96 s ASP 140 Cb -0.17 -0.24 0.06 0.00 -0.30 0.00 0.00 42.92 42.27 1j96 s ASP 140 CO 0.26 0.07 0.15 -0.89 -0.17 0.00 0.00 175.17 174.59 1j96 s THR 141 N -1.94 3.77 -0.01 1.71 2.01 -1.26 -4.40 115.64 115.52 1j96 s THR 141 Ca 0.22 -1.35 0.03 0.00 0.31 0.00 0.00 61.69 60.89 1j96 s THR 141 Cb -0.07 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 1j96 s THR 141 CO 0.10 -0.33 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.92 1j96 s VAL 142 N 1.36 0.69 -0.41 3.82 1.01 -1.26 -5.07 120.40 120.54 1j96 s VAL 142 Ca 0.01 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 1j96 s VAL 142 Cb -0.21 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1j96 s VAL 142 CO 0.01 0.20 1.12 -0.62 0.00 0.00 0.00 175.10 175.81 1j96 s ASP 143 N -0.08 6.76 0.60 3.32 -1.08 -1.26 -4.91 116.67 120.02 1j96 s ASP 143 Ca 0.01 0.73 0.38 0.00 -0.52 0.00 0.00 52.55 53.15 1j96 s ASP 143 Cb -0.05 -2.55 1.83 0.00 -1.46 0.00 0.00 42.92 40.70 1j96 s ASP 143 CO -0.00 -1.09 2.15 -0.07 0.52 0.00 0.00 175.17 176.67 1j96 h LEU 144 N 10.74 0.00 -0.98 -1.34 3.38 -1.95 -0.49 115.31 124.67 1j96 h LEU 144 Ca -0.22 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1j96 h LEU 144 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1j96 h LEU 144 CO 1.09 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 179.55 1j96 h ALA 146 N 1.32 0.50 -0.48 0.00 0.00 -1.51 -1.71 119.26 117.37 1j96 h ALA 146 Ca 0.12 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1j96 h ALA 146 Cb 0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1j96 h ALA 146 CO 0.03 0.60 0.21 1.15 0.00 0.00 0.00 179.25 181.24 1j96 h THR 147 N 0.64 0.90 -0.92 0.00 2.02 -1.21 -2.33 112.91 112.02 1j96 h THR 147 Ca 0.05 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1j96 h THR 147 Cb 0.98 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1j96 h THR 147 CO 0.09 0.08 0.53 -0.25 0.37 0.00 0.00 175.52 176.34 1j96 h TRP 148 N 0.42 1.23 -0.86 3.16 2.91 -0.74 -1.24 115.95 120.83 1j96 h TRP 148 Ca 0.22 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.25 1j96 h TRP 148 Cb 0.18 -0.40 -0.05 0.00 -0.51 0.00 0.00 29.16 28.38 1j96 h TRP 148 CO -0.13 0.83 0.57 0.93 -1.03 0.00 0.00 178.44 179.61 1j96 h GLU 149 N 1.27 1.09 -0.18 2.65 5.08 -0.90 0.12 114.58 123.70 1j96 h GLU 149 Ca 0.33 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1j96 h GLU 149 Cb -0.02 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1j96 h GLU 149 CO -0.06 0.72 -0.34 0.00 -1.00 0.00 0.00 179.01 178.33 1j96 h ALA 150 N 1.48 1.08 -0.51 3.43 0.00 -0.85 -2.09 119.26 121.80 1j96 h ALA 150 Ca 0.33 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1j96 h ALA 150 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1j96 h ALA 150 CO -0.08 0.58 0.17 0.52 0.00 0.00 0.00 179.25 180.43 1j96 h MET 151 N 0.33 0.78 -0.98 0.00 2.86 -0.11 -2.39 114.93 115.42 1j96 h MET 151 Ca 0.04 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1j96 h MET 151 Cb 0.76 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 1j96 h MET 151 CO 0.06 0.72 0.65 0.93 1.06 0.00 0.00 176.91 180.33 1j96 h GLU 152 N 0.69 1.24 -0.27 1.72 5.08 -0.76 -1.36 114.58 120.93 1j96 h GLU 152 Ca 0.16 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1j96 h GLU 152 Cb 0.26 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1j96 h GLU 152 CO -0.01 0.82 -0.08 0.87 -1.00 0.00 0.00 179.01 179.62 1j96 h LYS 153 N 1.28 0.43 -0.46 2.33 1.57 -1.12 -0.58 116.57 120.02 1j96 h LYS 153 Ca 0.38 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1j96 h LYS 153 Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1j96 h LYS 153 CO -0.10 0.52 -0.08 0.00 -0.57 0.00 0.00 179.45 179.21 1j96 h LYS 155 N 0.74 0.62 0.00 0.00 3.64 -0.89 -2.20 116.57 118.48 1j96 h LYS 155 Ca 0.13 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1j96 h LYS 155 Cb 0.56 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1j96 h LYS 155 CO 0.03 0.77 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.39 1j96 h ASP 156 N 0.41 0.00 0.92 4.20 3.32 -0.85 -1.02 116.42 123.39 1j96 h ASP 156 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1j96 h ASP 156 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1j96 h ASP 156 CO 0.03 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 1j96 n ALA 157 N -2.45 2.33 -0.85 3.45 0.00 -0.31 -4.93 120.51 117.75 1j96 n ALA 157 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1j96 n ALA 157 Cb 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1j96 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j96 n GLY 158 N 1.41 0.64 0.15 0.00 0.00 -0.39 -4.92 105.19 102.08 1j96 n GLY 158 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1j96 n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j96 h LEU 159 N 0.00 0.00 -7.66 0.99 3.38 -1.62 -3.43 115.31 106.97 1j96 h LEU 159 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1j96 h LEU 159 Cb 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.39 1j96 h LEU 159 CO 0.00 0.45 -0.78 0.00 0.09 0.00 0.00 178.44 178.20 1j96 s ALA 160 N -3.01 0.95 0.17 1.53 0.00 -1.19 -1.40 121.76 118.81 1j96 s ALA 160 Ca 0.04 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1j96 s ALA 160 Cb 0.07 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.54 1j96 s ALA 160 CO 0.73 -0.29 1.52 0.87 0.00 0.00 0.00 175.76 178.60 1j96 h LYS 161 N 7.88 0.83 -4.80 0.00 1.79 -1.25 -3.36 116.57 117.66 1j96 h LYS 161 Ca -0.28 -0.42 -0.28 0.00 -2.18 0.00 0.00 60.65 57.49 1j96 h LYS 161 Cb 1.14 0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 31.62 1j96 h LYS 161 CO 0.38 1.06 -0.72 -1.12 -1.08 0.00 0.00 179.45 177.96 1j96 s SER 162 N -6.83 1.25 0.05 0.86 0.01 -0.48 -5.01 113.70 103.54 1j96 s SER 162 Ca -0.10 -0.82 0.05 0.00 1.31 0.00 0.00 55.95 56.39 1j96 s SER 162 Cb 0.12 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 1j96 s SER 162 CO 0.86 -0.31 -0.15 0.27 0.41 0.00 0.00 173.24 174.33 1j96 s ILE 163 N -2.58 1.15 0.00 1.44 -4.36 -1.26 -1.74 121.20 113.84 1j96 s ILE 163 Ca 0.04 -1.08 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 1j96 s ILE 163 Cb -0.02 -1.05 0.00 0.00 1.25 0.00 0.00 42.46 42.64 1j96 s ILE 163 CO -0.01 -0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.74 1j96 n GLY 164 N 1.75 2.63 3.37 6.27 0.00 -0.63 -1.16 105.19 117.42 1j96 n GLY 164 Ca -0.19 -1.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 1j96 n GLY 164 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j96 s VAL 165 N -2.75 0.96 -0.04 1.61 -7.23 -0.80 -2.12 120.40 110.03 1j96 s VAL 165 Ca 0.00 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.12 1j96 s VAL 165 Cb 0.00 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.36 1j96 s VAL 165 CO 0.00 -0.12 0.11 -0.55 -0.31 0.00 0.00 175.10 174.23 1j96 s SER 166 N -3.37 -0.11 -1.42 4.85 0.15 -0.24 -1.33 113.70 112.22 1j96 s SER 166 Ca 0.34 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 57.19 1j96 s SER 166 Cb 0.07 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1j96 s SER 166 CO 0.13 -0.04 0.21 0.59 1.20 0.00 0.00 173.24 175.33 1j96 n ASN 167 N 3.03 -5.26 -4.86 5.45 3.02 -0.19 -4.08 115.26 112.38 1j96 n ASN 167 Ca -0.12 -0.11 -0.36 0.00 -0.03 0.00 0.00 54.58 53.96 1j96 n ASN 167 Cb 0.59 -4.24 -0.06 0.00 -0.61 0.00 0.00 39.78 35.47 1j96 n ASN 167 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1j96 s PHE 168 N -2.96 3.63 0.51 3.10 0.40 -1.26 -4.55 117.98 116.85 1j96 s PHE 168 Ca 0.11 0.77 0.06 0.00 -0.60 0.00 0.00 56.93 57.26 1j96 s PHE 168 Cb -0.05 -2.13 0.09 0.00 0.51 0.00 0.00 43.02 41.44 1j96 s PHE 168 CO 0.13 0.60 0.71 0.27 0.70 0.00 0.00 175.22 177.63 1j96 n ASN 169 N 1.34 1.61 -0.10 1.36 0.23 -1.26 -4.90 115.26 113.54 1j96 n ASN 169 Ca -0.12 -2.20 -0.06 0.00 -0.53 0.00 0.00 54.58 51.67 1j96 n ASN 169 Cb 0.53 -0.40 0.01 0.00 -2.08 0.00 0.00 39.78 37.84 1j96 n ASN 169 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 1j96 h HIS 170 N -0.08 -0.01 -0.32 -2.53 -0.00 -1.33 -1.25 115.15 109.64 1j96 h HIS 170 Ca -0.24 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.19 1j96 h HIS 170 Cb 1.04 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 28.47 1j96 h HIS 170 CO 0.00 -0.06 0.13 -0.09 -0.00 0.00 0.00 177.93 177.91 1j96 h ARG 171 N 0.10 0.27 -0.63 5.26 2.43 -1.96 -1.13 114.38 118.73 1j96 h ARG 171 Ca 0.17 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1j96 h ARG 171 Cb 0.22 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1j96 h ARG 171 CO -0.27 0.18 0.04 -0.07 -1.51 0.00 0.00 179.97 178.34 1j96 h LEU 172 N 0.28 1.04 -0.47 3.80 3.38 -1.88 -0.85 115.31 120.61 1j96 h LEU 172 Ca 0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1j96 h LEU 172 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1j96 h LEU 172 CO -0.12 1.07 0.28 -0.07 0.09 0.00 0.00 178.44 179.69 1j96 h LEU 173 N 0.99 0.57 -1.19 1.67 3.38 -1.01 -2.54 115.31 117.17 1j96 h LEU 173 Ca 0.18 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1j96 h LEU 173 Cb 0.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1j96 h LEU 173 CO 0.02 0.46 0.21 -0.33 0.09 0.00 0.00 178.44 178.89 1j96 h GLU 174 N 0.63 0.77 -0.81 1.13 4.39 -0.92 0.12 114.58 119.89 1j96 h GLU 174 Ca 0.17 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1j96 h GLU 174 Cb 0.00 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1j96 h GLU 174 CO -0.03 0.64 0.47 1.98 -1.16 0.00 0.00 179.01 180.90 1j96 h MET 175 N 0.76 1.11 -0.04 2.33 4.05 -0.85 0.97 114.93 123.26 1j96 h MET 175 Ca 0.18 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1j96 h MET 175 Cb 0.16 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1j96 h MET 175 CO -0.02 0.80 -0.06 0.82 0.23 0.00 0.00 176.91 178.68 1j96 h ILE 176 N 1.11 1.40 -0.38 1.77 1.08 -1.04 -2.90 117.51 118.56 1j96 h ILE 176 Ca 0.29 -1.29 0.01 0.00 -0.39 0.00 0.00 64.86 63.47 1j96 h ILE 176 Cb -0.01 2.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 1j96 h ILE 176 CO -0.05 0.35 0.25 -0.07 -0.69 0.00 0.00 178.15 177.94 1j96 h LEU 177 N -0.38 0.41 -1.31 1.44 3.38 -0.69 -2.09 115.31 116.07 1j96 h LEU 177 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j96 h LEU 177 Cb 0.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1j96 h LEU 177 CO 0.01 0.30 0.00 0.59 0.09 0.00 0.00 178.44 179.43 1j96 n ASN 178 N -4.48 1.99 -4.70 -0.43 3.02 0.31 -4.95 115.26 106.02 1j96 n ASN 178 Ca 0.03 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 1j96 n ASN 178 Cb 0.08 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1j96 n ASN 178 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1j96 s LYS 179 N -1.81 4.14 0.20 3.52 2.20 -0.79 -4.91 119.74 122.29 1j96 s LYS 179 Ca 0.34 2.59 -0.32 0.00 -0.36 0.00 0.00 55.97 58.22 1j96 s LYS 179 Cb 0.19 -3.41 -0.13 0.00 -1.51 0.00 0.00 37.83 32.97 1j96 s LYS 179 CO 0.29 -0.81 1.64 -2.30 -0.36 0.00 0.00 175.35 173.81 1j96 n PRO 180 N 5.08 2.50 -1.02 4.03 -0.02 -1.26 -1.79 135.00 142.53 1j96 n PRO 180 Ca 0.17 0.90 -0.01 0.00 -2.02 0.00 0.00 63.50 62.54 1j96 n PRO 180 Cb 0.37 -2.70 -0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1j96 n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j96 n GLY 181 N 3.47 0.47 3.58 -1.23 0.00 -1.26 -4.98 105.19 105.24 1j96 n GLY 181 Ca 0.15 -0.23 -0.51 0.00 0.00 0.00 0.00 46.02 45.44 1j96 n GLY 181 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j96 n LEU 182 N -0.07 1.50 -0.12 0.99 7.94 -0.74 -4.91 117.00 121.60 1j96 n LEU 182 Ca -0.01 1.13 -0.23 0.00 -1.11 0.00 0.00 56.01 55.79 1j96 n LEU 182 Cb 0.07 -1.19 -0.10 0.00 0.53 0.00 0.00 43.42 42.73 1j96 n LEU 182 CO 0.01 -1.22 -1.32 1.17 -1.11 0.00 0.00 177.39 174.92 1j96 n LYS 183 N 2.11 0.54 -4.29 1.96 4.81 -1.26 -4.99 118.16 117.05 1j96 n LYS 183 Ca 0.17 0.20 -0.25 0.00 -0.87 0.00 0.00 58.31 57.55 1j96 n LYS 183 Cb 0.21 -1.41 -0.17 0.00 0.02 0.00 0.00 35.03 33.69 1j96 n LYS 183 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1j96 s TYR 184 N -2.46 1.44 0.70 5.64 2.02 -1.26 -5.13 117.35 118.30 1j96 s TYR 184 Ca -0.34 -0.61 -0.13 0.00 -0.37 0.00 0.00 57.07 55.62 1j96 s TYR 184 Cb 0.12 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 1j96 s TYR 184 CO 0.47 -0.37 1.09 0.15 -1.57 0.00 0.00 175.55 175.32 1j96 s LYS 185 N 1.10 2.66 0.32 -0.62 1.02 -1.26 -4.98 119.74 117.98 1j96 s LYS 185 Ca -0.06 1.26 -0.29 0.00 0.02 0.00 0.00 55.97 56.90 1j96 s LYS 185 Cb -0.14 -1.94 -0.11 0.00 -0.52 0.00 0.00 37.83 35.12 1j96 s LYS 185 CO -0.01 -1.34 1.46 -2.14 -0.92 0.00 0.00 175.35 172.40 1j96 s PRO 186 N -4.45 4.20 0.36 -1.68 0.02 -1.26 -4.88 135.00 127.32 1j96 s PRO 186 Ca 0.64 2.43 0.19 0.00 0.02 0.00 0.00 61.00 64.28 1j96 s PRO 186 Cb -0.18 -3.04 0.34 0.00 0.02 0.00 0.00 34.50 31.64 1j96 s PRO 186 CO 0.47 -0.45 1.58 -0.39 -0.33 0.00 0.00 177.00 177.88 1j96 h VAL 187 N 3.22 0.53 -3.42 3.83 -1.51 -1.50 -3.45 116.25 113.95 1j96 h VAL 187 Ca -0.48 -1.62 -0.03 0.00 -1.23 0.00 0.00 66.70 63.34 1j96 h VAL 187 Cb 1.23 2.16 -0.09 0.00 -2.13 0.00 0.00 31.29 32.45 1j96 h VAL 187 CO 0.71 0.29 -0.02 0.00 -1.23 0.00 0.00 177.57 177.32 1j96 s ASN 189 N -2.94 3.46 -0.43 0.00 2.47 -0.36 -1.91 114.94 115.23 1j96 s ASN 189 Ca 0.14 -1.19 -0.25 0.00 0.42 0.00 0.00 52.86 51.99 1j96 s ASN 189 Cb -0.01 -0.74 0.02 0.00 -1.45 0.00 0.00 41.25 39.07 1j96 s ASN 189 CO 0.03 -0.35 0.88 -1.58 -3.72 0.00 0.00 177.10 172.36 1j96 s GLN 190 N 1.74 3.59 0.10 0.43 0.74 -0.44 -2.05 119.66 123.77 1j96 s GLN 190 Ca 0.03 0.20 0.01 0.00 0.05 0.00 0.00 55.36 55.64 1j96 s GLN 190 Cb -0.17 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.00 1j96 s GLN 190 CO -0.16 -1.10 -0.03 0.14 -0.55 0.00 0.00 175.29 173.59 1j96 s VAL 191 N 3.52 0.47 0.22 1.34 -7.23 -0.24 -1.02 120.40 117.47 1j96 s VAL 191 Ca 0.35 -1.90 -0.32 0.00 -1.81 0.00 0.00 61.98 58.30 1j96 s VAL 191 Cb -0.11 -1.74 -0.12 0.00 0.56 0.00 0.00 36.38 34.97 1j96 s VAL 191 CO 0.23 -0.81 1.71 -0.70 -0.31 0.00 0.00 175.10 175.22 1j96 s GLU 192 N -3.90 4.12 -0.27 4.82 2.12 -1.26 -1.17 118.70 123.16 1j96 s GLU 192 Ca 0.14 2.61 -0.15 0.00 0.36 0.00 0.00 54.97 57.93 1j96 s GLU 192 Cb 0.06 -3.06 0.08 0.00 0.26 0.00 0.00 34.13 31.47 1j96 s GLU 192 CO -0.04 -0.74 0.66 0.00 -0.54 0.00 0.00 175.26 174.59 1j96 s HIS 194 N 1.71 -0.04 0.52 0.00 -3.43 -1.05 -3.88 115.29 109.12 1j96 s HIS 194 Ca -0.10 -0.35 0.41 0.00 -0.80 0.00 0.00 55.06 54.23 1j96 s HIS 194 Cb -0.06 0.69 2.22 0.00 -1.43 0.00 0.00 32.58 34.00 1j96 s HIS 194 CO -0.19 -0.99 2.27 -1.35 -2.00 0.00 0.00 174.74 172.48 1j96 h PRO 195 N 2.00 0.00 0.00 -0.38 0.11 -1.90 -0.83 132.00 131.00 1j96 h PRO 195 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1j96 h PRO 195 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1j96 h PRO 195 CO 0.30 0.00 -0.45 0.66 -0.21 0.00 0.00 178.00 178.30 1j96 n TYR 196 N -2.98 0.00 -2.96 0.65 4.01 -1.26 -2.06 117.16 112.56 1j96 n TYR 196 Ca -0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 1j96 n TYR 196 Cb 0.08 -0.27 -0.01 0.00 -0.31 0.00 0.00 39.34 38.82 1j96 n TYR 196 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j96 n PHE 197 N -1.50 -2.45 1.80 -0.72 7.35 -0.36 -1.62 117.46 119.97 1j96 n PHE 197 Ca 0.06 -2.29 0.15 0.00 -0.76 0.00 0.00 57.45 54.61 1j96 n PHE 197 Cb 0.34 0.91 0.85 0.00 0.35 0.00 0.00 39.48 41.93 1j96 n PHE 197 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1j96 n ASN 198 N 2.21 0.18 -2.71 -2.13 0.23 -0.97 -2.52 115.26 109.55 1j96 n ASN 198 Ca 0.18 -0.85 -0.19 0.00 -0.53 0.00 0.00 54.58 53.19 1j96 n ASN 198 Cb 0.56 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1j96 n ASN 198 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j96 n GLN 199 N -0.94 -2.86 -0.14 -3.83 1.13 -1.26 -4.84 117.38 104.63 1j96 n GLN 199 Ca 0.21 0.76 -0.03 0.00 -1.94 0.00 0.00 57.00 56.00 1j96 n GLN 199 Cb 0.17 -5.45 0.04 0.00 0.11 0.00 0.00 30.24 25.11 1j96 n GLN 199 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1j96 h ARG 200 N -0.46 0.06 -0.31 -1.09 9.65 -1.99 0.11 114.38 120.35 1j96 h ARG 200 Ca -0.42 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.44 1j96 h ARG 200 Cb 1.30 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 1j96 h ARG 200 CO 0.49 0.04 0.13 0.87 2.80 0.00 0.00 179.97 184.30 1j96 h LYS 201 N 0.06 0.46 -0.65 0.20 1.57 -2.00 -0.78 116.57 115.43 1j96 h LYS 201 Ca 0.23 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1j96 h LYS 201 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1j96 h LYS 201 CO -0.42 0.47 0.08 1.25 -0.57 0.00 0.00 179.45 180.25 1j96 h LEU 202 N 0.35 1.06 -0.33 2.94 5.85 -1.78 -1.67 115.31 121.73 1j96 h LEU 202 Ca 0.10 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1j96 h LEU 202 Cb 0.18 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1j96 h LEU 202 CO -0.01 1.06 0.20 0.25 -0.34 0.00 0.00 178.44 179.60 1j96 h LEU 203 N 1.02 0.32 -0.85 2.25 5.85 -0.67 -0.31 115.31 122.93 1j96 h LEU 203 Ca 0.20 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1j96 h LEU 203 Cb 0.48 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1j96 h LEU 203 CO 0.02 0.23 0.27 0.44 -0.34 0.00 0.00 178.44 179.06 1j96 h ASP 204 N 0.40 1.04 -0.24 1.25 3.32 -0.92 0.90 116.42 122.17 1j96 h ASP 204 Ca 0.13 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1j96 h ASP 204 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1j96 h ASP 204 CO -0.05 0.94 0.15 0.15 -1.72 0.00 0.00 179.24 178.70 1j96 h PHE 205 N 1.09 0.32 -0.43 4.55 3.57 -0.95 -1.58 116.94 123.51 1j96 h PHE 205 Ca 0.25 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1j96 h PHE 205 Cb 0.24 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1j96 h PHE 205 CO 0.02 0.24 0.26 0.00 -2.23 0.00 0.00 178.31 176.59 1j96 h LYS 207 N 0.52 1.00 0.00 0.00 1.57 -0.61 -0.55 116.57 118.50 1j96 h LYS 207 Ca 0.17 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1j96 h LYS 207 Cb 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1j96 h LYS 207 CO -0.07 0.66 0.00 0.66 -0.57 0.00 0.00 179.45 180.13 1j96 h SER 208 N 1.03 0.00 -0.28 0.86 4.64 -0.66 -2.08 113.55 117.07 1j96 h SER 208 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1j96 h SER 208 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1j96 h SER 208 CO -0.22 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.03 1j96 n LYS 209 N -2.82 2.76 -3.76 4.77 4.76 -0.66 -4.99 118.16 118.22 1j96 n LYS 209 Ca -0.01 -1.91 -0.27 0.00 -2.87 0.00 0.00 58.31 53.25 1j96 n LYS 209 Cb 0.15 -1.22 0.05 0.00 -1.84 0.00 0.00 35.03 32.17 1j96 n LYS 209 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1j96 n ASP 210 N 0.36 -5.18 -4.52 4.39 2.03 -0.78 -4.99 116.55 107.85 1j96 n ASP 210 Ca 0.09 -0.68 -0.35 0.00 0.52 0.00 0.00 54.79 54.38 1j96 n ASP 210 Cb 0.39 -4.42 -0.11 0.00 -0.72 0.00 0.00 41.12 36.26 1j96 n ASP 210 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1j96 s ILE 211 N -3.33 4.37 0.08 5.18 1.01 -0.31 -4.32 121.20 123.89 1j96 s ILE 211 Ca 0.58 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 1j96 s ILE 211 Cb -0.27 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1j96 s ILE 211 CO 0.78 0.42 0.98 -0.69 0.00 0.00 0.00 174.94 176.44 1j96 s VAL 212 N 0.87 4.55 -0.18 2.92 1.01 -0.57 -3.94 120.40 125.06 1j96 s VAL 212 Ca 0.03 2.02 -0.21 0.00 0.00 0.00 0.00 61.98 63.82 1j96 s VAL 212 Cb -0.14 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1j96 s VAL 212 CO 0.02 0.27 0.61 -0.22 0.00 0.00 0.00 175.10 175.78 1j96 s LEU 213 N 0.29 4.17 -0.27 3.92 0.20 -1.26 -1.23 118.68 124.50 1j96 s LEU 213 Ca 0.49 0.85 -0.07 0.00 0.69 0.00 0.00 54.13 56.08 1j96 s LEU 213 Cb -0.23 -2.87 -0.01 0.00 -0.43 0.00 0.00 46.19 42.65 1j96 s LEU 213 CO 0.30 -0.23 0.07 -0.69 -0.29 0.00 0.00 176.35 175.50 1j96 s VAL 214 N 1.70 4.09 -0.17 1.68 1.01 -0.87 -1.86 120.40 125.98 1j96 s VAL 214 Ca 0.29 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 1j96 s VAL 214 Cb -0.16 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1j96 s VAL 214 CO 0.11 0.21 0.74 0.00 0.00 0.00 0.00 175.10 176.16 1j96 s ALA 215 N 1.55 3.50 0.27 5.51 0.00 0.45 -1.08 121.76 131.97 1j96 s ALA 215 Ca 0.05 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.02 1j96 s ALA 215 Cb -0.16 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1j96 s ALA 215 CO 0.03 -0.54 0.13 1.52 0.00 0.00 0.00 175.76 176.90 1j96 s TYR 216 N 1.87 2.90 -1.52 0.00 -0.85 -0.32 -1.64 117.35 117.80 1j96 s TYR 216 Ca 0.35 -0.20 -0.13 0.00 -0.52 0.00 0.00 57.07 56.57 1j96 s TYR 216 Cb -0.16 -1.39 0.08 0.00 0.38 0.00 0.00 41.96 40.87 1j96 s TYR 216 CO 0.12 0.51 0.95 0.43 -1.52 0.00 0.00 175.55 176.04 1j96 n SER 217 N -1.09 -4.90 0.15 -0.18 7.64 -1.26 -1.63 113.62 112.35 1j96 n SER 217 Ca -0.06 -0.73 0.13 0.00 1.01 0.00 0.00 58.87 59.22 1j96 n SER 217 Cb 0.59 -3.91 0.49 0.00 -1.01 0.00 0.00 64.21 60.37 1j96 n SER 217 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j96 h ALA 218 N 0.97 1.00 -0.48 -0.43 0.00 -1.79 -1.63 119.26 116.90 1j96 h ALA 218 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1j96 h ALA 218 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1j96 h ALA 218 CO 0.66 0.00 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1j96 n LEU 219 N -2.43 3.63 0.00 0.00 4.77 -1.26 -4.73 117.00 116.98 1j96 n LEU 219 Ca 0.03 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 1j96 n LEU 219 Cb 0.30 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1j96 n LEU 219 CO 0.24 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1j96 n GLY 220 N 0.76 0.84 0.00 -0.72 0.00 -0.61 -4.49 105.19 100.97 1j96 n GLY 220 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1j96 n GLY 220 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j96 n SER 221 N 0.00 0.00 0.21 1.61 3.41 -1.24 -4.57 113.62 113.04 1j96 n SER 221 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1j96 n SER 221 Cb 0.00 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.58 1j96 n SER 221 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1j96 h HIS 222 N 0.00 0.00 -3.25 7.33 2.07 -1.96 -3.47 115.15 115.88 1j96 h HIS 222 Ca 0.00 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.14 1j96 h HIS 222 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1j96 h HIS 222 CO 0.00 0.00 -0.49 0.54 -3.07 0.00 0.00 177.93 174.91 1j96 n ARG 223 N -2.63 -1.90 -2.50 5.12 1.74 -1.26 -4.93 116.66 110.30 1j96 n ARG 223 Ca 0.01 0.91 -0.42 0.00 -0.77 0.00 0.00 57.85 57.58 1j96 n ARG 223 Cb 0.23 -5.57 -0.03 0.00 -1.02 0.00 0.00 32.46 26.07 1j96 n ARG 223 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1j96 s GLU 224 N -5.07 4.46 0.98 5.56 2.12 -1.26 -4.75 118.70 120.75 1j96 s GLU 224 Ca 0.01 1.67 -0.12 0.00 0.36 0.00 0.00 54.97 56.89 1j96 s GLU 224 Cb -0.00 -3.38 0.18 0.00 0.26 0.00 0.00 34.13 31.18 1j96 s GLU 224 CO 0.01 -0.21 1.10 -1.21 -0.54 0.00 0.00 175.26 174.42 1j96 s GLU 225 N 1.07 0.60 0.00 4.30 2.02 -1.26 -1.25 118.70 124.18 1j96 s GLU 225 Ca 0.57 0.48 0.00 0.00 0.02 0.00 0.00 54.97 56.04 1j96 s GLU 225 Cb -0.27 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.20 1j96 s GLU 225 CO 0.29 -2.61 0.10 -0.35 0.02 0.00 0.00 175.26 172.70 1j96 n PRO 226 N -4.08 0.00 0.08 0.39 -0.04 -1.26 -4.89 135.00 125.20 1j96 n PRO 226 Ca 0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1j96 n PRO 226 Cb 0.58 -1.38 0.10 0.00 -0.04 0.00 0.00 33.50 32.76 1j96 n PRO 226 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j96 h TRP 227 N 0.00 0.32 -3.60 0.54 4.06 -1.56 -3.44 115.95 112.28 1j96 h TRP 227 Ca 0.00 -0.13 -0.61 0.00 2.06 0.00 0.00 58.89 60.21 1j96 h TRP 227 Cb 0.00 -0.05 -0.32 0.00 -1.00 0.00 0.00 29.16 27.78 1j96 h TRP 227 CO 0.00 0.81 -0.85 0.08 -3.56 0.00 0.00 178.44 174.92 1j96 s VAL 228 N -3.70 1.66 0.10 1.49 1.01 -0.39 -4.38 120.40 116.19 1j96 s VAL 228 Ca -0.04 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 1j96 s VAL 228 Cb 0.12 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 1j96 s VAL 228 CO 0.80 0.47 1.42 -0.62 0.00 0.00 0.00 175.10 177.18 1j96 s ASP 229 N 0.28 6.80 0.19 3.32 -1.08 -1.26 -4.48 116.67 120.44 1j96 s ASP 229 Ca -0.12 2.32 0.19 0.00 -0.52 0.00 0.00 52.55 54.42 1j96 s ASP 229 Cb -0.15 -2.58 0.85 0.00 -1.46 0.00 0.00 42.92 39.57 1j96 s ASP 229 CO 0.05 -0.69 1.58 -0.81 0.52 0.00 0.00 175.17 175.82 1j96 n PRO 230 N 4.28 0.12 0.00 4.34 -0.04 -1.26 -1.52 135.00 140.93 1j96 n PRO 230 Ca 0.12 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 1j96 n PRO 230 Cb 0.42 -1.77 0.55 0.00 -0.04 0.00 0.00 33.50 32.66 1j96 n PRO 230 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1j96 n ASN 231 N -2.01 0.30 -4.77 3.54 3.02 -1.26 -4.87 115.26 109.21 1j96 n ASN 231 Ca 0.01 -0.17 -0.37 0.00 -0.03 0.00 0.00 54.58 54.03 1j96 n ASN 231 Cb 0.16 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1j96 n ASN 231 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1j96 s SER 232 N -2.74 5.89 0.54 6.41 1.04 -0.57 -4.97 113.70 119.31 1j96 s SER 232 Ca 0.21 2.33 -0.21 0.00 0.48 0.00 0.00 55.95 58.76 1j96 s SER 232 Cb 0.19 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.66 1j96 s SER 232 CO 0.53 -1.11 1.29 -2.16 0.98 0.00 0.00 173.24 172.78 1j96 s PRO 233 N -2.91 3.18 -0.47 4.02 0.04 -1.26 -4.95 135.00 132.65 1j96 s PRO 233 Ca 0.68 2.08 -0.26 0.00 0.04 0.00 0.00 61.00 63.54 1j96 s PRO 233 Cb -0.29 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.08 1j96 s PRO 233 CO 0.34 -1.10 0.95 0.08 0.04 0.00 0.00 177.00 177.30 1j96 s VAL 234 N -1.40 4.43 0.19 -0.36 1.01 -1.26 -4.95 120.40 118.06 1j96 s VAL 234 Ca 0.72 0.74 -0.19 0.00 0.00 0.00 0.00 61.98 63.25 1j96 s VAL 234 Cb -0.37 -4.46 0.14 0.00 0.00 0.00 0.00 36.38 31.69 1j96 s VAL 234 CO 0.42 -0.89 1.60 0.25 0.00 0.00 0.00 175.10 176.49 1j96 h LEU 235 N 10.69 -0.94 0.00 3.92 5.85 -1.87 -2.11 115.31 130.85 1j96 h LEU 235 Ca -0.24 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1j96 h LEU 235 Cb 1.07 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1j96 h LEU 235 CO 1.04 -0.28 0.00 0.18 -0.34 0.00 0.00 178.44 179.05 1j96 n LEU 236 N -5.43 0.00 -0.29 2.25 4.77 -1.26 -1.64 117.00 115.40 1j96 n LEU 236 Ca 0.04 0.22 0.14 0.00 -0.03 0.00 0.00 56.01 56.39 1j96 n LEU 236 Cb 0.34 -0.22 0.55 0.00 -2.33 0.00 0.00 43.42 41.76 1j96 n LEU 236 CO 0.04 -0.10 0.84 -0.62 -1.33 0.00 0.00 177.39 176.22 1j96 n GLU 237 N -1.22 1.16 -1.68 3.23 1.02 -0.79 -4.74 120.64 117.62 1j96 n GLU 237 Ca 0.09 -0.58 -0.45 0.00 -0.02 0.00 0.00 57.16 56.20 1j96 n GLU 237 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1j96 n GLU 237 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1j96 n ASP 238 N -0.41 3.13 0.04 1.62 -0.08 -0.65 -4.88 116.55 115.32 1j96 n ASP 238 Ca 0.17 1.11 0.01 0.00 -1.51 0.00 0.00 54.79 54.57 1j96 n ASP 238 Cb 0.31 -1.46 0.34 0.00 2.34 0.00 0.00 41.12 42.65 1j96 n ASP 238 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j96 h PRO 239 N 5.30 0.44 -0.20 -0.67 0.11 -1.92 -0.55 132.00 134.52 1j96 h PRO 239 Ca -0.45 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 1j96 h PRO 239 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1j96 h PRO 239 CO 0.84 0.48 -0.17 0.28 -0.21 0.00 0.00 178.00 179.22 1j96 h VAL 240 N 0.42 1.33 -0.77 3.15 2.07 -1.98 0.16 116.25 120.62 1j96 h VAL 240 Ca 0.09 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1j96 h VAL 240 Cb 0.30 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1j96 h VAL 240 CO 0.01 0.39 0.39 -0.07 0.02 0.00 0.00 177.57 178.32 1j96 h LEU 241 N 0.13 0.99 -0.78 2.57 3.38 -1.86 -1.42 115.31 118.32 1j96 h LEU 241 Ca 0.03 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1j96 h LEU 241 Cb 0.69 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1j96 h LEU 241 CO 0.04 0.83 -0.22 0.00 0.09 0.00 0.00 178.44 179.18 1j96 h ALA 243 N 1.16 0.51 -0.53 0.00 0.00 -0.65 -0.78 119.26 118.97 1j96 h ALA 243 Ca 0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1j96 h ALA 243 Cb 0.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1j96 h ALA 243 CO 0.05 0.33 -0.00 -0.07 0.00 0.00 0.00 179.25 179.56 1j96 h LEU 244 N 0.50 0.87 -0.38 0.00 3.38 -1.19 -1.32 115.31 117.17 1j96 h LEU 244 Ca 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1j96 h LEU 244 Cb 0.54 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1j96 h LEU 244 CO 0.03 0.93 0.25 0.00 0.09 0.00 0.00 178.44 179.74 1j96 h ALA 245 N 1.16 0.49 -0.64 1.53 0.00 -1.03 -1.73 119.26 119.03 1j96 h ALA 245 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1j96 h ALA 245 Cb 0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1j96 h ALA 245 CO 0.02 -0.05 0.20 0.87 0.00 0.00 0.00 179.25 180.29 1j96 h LYS 246 N 0.52 1.00 -0.56 0.00 1.57 -0.89 0.91 116.57 119.11 1j96 h LYS 246 Ca 0.14 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1j96 h LYS 246 Cb -0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1j96 h LYS 246 CO -0.03 0.87 0.22 -0.22 -0.57 0.00 0.00 179.45 179.72 1j96 h LYS 247 N 0.92 0.84 -0.01 3.15 3.64 -1.10 -2.70 116.57 121.32 1j96 h LYS 247 Ca 0.21 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1j96 h LYS 247 Cb 0.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1j96 h LYS 247 CO -0.01 0.73 -0.09 0.72 -2.27 0.00 0.00 179.45 178.52 1j96 n HIS 248 N -4.50 0.00 -3.65 1.91 8.25 -0.66 -4.93 115.22 111.64 1j96 n HIS 248 Ca 0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.25 1j96 n HIS 248 Cb 0.16 -0.13 0.06 0.00 1.12 0.00 0.00 29.99 31.20 1j96 n HIS 248 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j96 n LYS 249 N -0.78 -6.63 0.00 -0.41 5.02 -0.08 -4.99 118.16 110.29 1j96 n LYS 249 Ca 0.16 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1j96 n LYS 249 Cb 0.27 -5.68 0.00 0.00 -0.02 0.00 0.00 35.03 29.60 1j96 n LYS 249 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j96 n ARG 250 N -4.62 3.68 -4.16 1.97 5.12 0.12 -5.03 116.66 113.73 1j96 n ARG 250 Ca -0.10 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.70 1j96 n ARG 250 Cb 0.60 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.79 1j96 n ARG 250 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1j96 s THR 251 N 1.82 0.73 0.32 0.55 -4.23 -1.26 -4.59 115.64 108.98 1j96 s THR 251 Ca 0.00 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 1j96 s THR 251 Cb 0.00 -1.51 0.28 0.00 1.34 0.00 0.00 72.50 72.61 1j96 s THR 251 CO 0.00 -0.77 1.93 1.55 -0.54 0.00 0.00 174.62 176.79 1j96 h PRO 252 N 3.23 0.91 -0.50 3.99 0.13 -1.89 -1.66 132.00 136.20 1j96 h PRO 252 Ca -0.36 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1j96 h PRO 252 Cb 1.17 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1j96 h PRO 252 CO 0.60 0.60 0.30 0.00 -0.23 0.00 0.00 178.00 179.27 1j96 h ALA 253 N 1.54 0.64 -0.51 -0.56 0.00 -1.93 -1.51 119.26 116.93 1j96 h ALA 253 Ca 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1j96 h ALA 253 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1j96 h ALA 253 CO -0.13 -0.00 0.20 -0.07 0.00 0.00 0.00 179.25 179.25 1j96 h LEU 254 N 0.59 0.66 -0.50 0.00 3.38 -1.71 -1.27 115.31 116.46 1j96 h LEU 254 Ca 0.20 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1j96 h LEU 254 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1j96 h LEU 254 CO -0.09 0.60 0.04 0.40 0.09 0.00 0.00 178.44 179.47 1j96 h ILE 255 N 0.72 1.26 -0.54 1.22 1.08 -0.95 -1.01 117.51 119.29 1j96 h ILE 255 Ca 0.17 -1.01 -0.06 0.00 -0.39 0.00 0.00 64.86 63.57 1j96 h ILE 255 Cb 0.14 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1j96 h ILE 255 CO -0.02 0.36 0.07 0.00 -0.69 0.00 0.00 178.15 177.87 1j96 h ALA 256 N 0.95 1.12 -0.21 1.87 0.00 -0.74 -1.37 119.26 120.87 1j96 h ALA 256 Ca 0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1j96 h ALA 256 Cb 0.46 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1j96 h ALA 256 CO 0.02 0.57 -0.23 -0.07 0.00 0.00 0.00 179.25 179.54 1j96 h LEU 257 N 0.81 0.58 -1.13 0.00 3.38 -1.08 -3.27 115.31 114.60 1j96 h LEU 257 Ca 0.17 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1j96 h LEU 257 Cb 0.38 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1j96 h LEU 257 CO 0.01 0.94 0.03 -0.09 0.09 0.00 0.00 178.44 179.43 1j96 h ARG 258 N 0.22 0.64 -0.49 1.13 9.65 -1.01 -2.42 114.38 122.10 1j96 h ARG 258 Ca 0.03 -0.14 0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1j96 h ARG 258 Cb 0.79 -0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 29.19 1j96 h ARG 258 CO 0.06 0.64 -0.05 -0.92 2.80 0.00 0.00 179.97 182.49 1j96 h TYR 259 N 0.62 -0.13 -0.42 2.20 3.20 -1.30 -1.92 116.97 119.21 1j96 h TYR 259 Ca 0.13 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1j96 h TYR 259 Cb 0.34 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1j96 h TYR 259 CO 0.01 -0.16 0.15 1.96 -1.64 0.00 0.00 178.16 178.48 1j96 h GLN 260 N 0.06 0.64 -0.87 1.82 1.08 -1.49 -2.94 115.11 113.41 1j96 h GLN 260 Ca 0.24 -0.13 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 1j96 h GLN 260 Cb 0.37 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.65 1j96 h GLN 260 CO -0.46 0.62 0.55 -0.07 -0.95 0.00 0.00 178.83 178.53 1j96 h LEU 261 N 0.53 0.89 0.00 1.46 3.38 -1.15 -1.79 115.31 118.64 1j96 h LEU 261 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1j96 h LEU 261 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1j96 h LEU 261 CO -0.01 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1j96 n GLN 262 N -4.58 0.27 -0.39 1.13 6.02 -0.77 -2.43 117.38 116.63 1j96 n GLN 262 Ca 0.12 0.06 0.08 0.00 -0.01 0.00 0.00 57.00 57.25 1j96 n GLN 262 Cb 0.14 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.15 1j96 n GLN 262 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1j96 n ARG 263 N -1.33 3.14 -0.87 -1.09 1.85 -0.79 -4.97 116.66 112.60 1j96 n ARG 263 Ca 0.10 -2.54 0.00 0.00 -1.00 0.00 0.00 57.85 54.42 1j96 n ARG 263 Cb 0.22 -1.62 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 1j96 n ARG 263 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1j96 n GLY 264 N 0.50 0.49 3.87 2.89 0.00 -1.02 -5.05 105.19 106.86 1j96 n GLY 264 Ca 0.19 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1j96 n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j96 s VAL 265 N -2.00 5.45 -0.05 1.61 1.01 -0.74 -4.71 120.40 120.97 1j96 s VAL 265 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 1j96 s VAL 265 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1j96 s VAL 265 CO 0.00 0.60 0.84 -0.69 0.00 0.00 0.00 175.10 175.85 1j96 s VAL 266 N -0.94 4.95 -0.07 2.92 1.01 -0.78 -3.86 120.40 123.64 1j96 s VAL 266 Ca 0.16 1.74 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1j96 s VAL 266 Cb -0.12 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1j96 s VAL 266 CO 0.05 0.19 -0.18 0.54 0.00 0.00 0.00 175.10 175.69 1j96 s VAL 267 N 1.01 2.66 0.21 2.92 0.11 -0.53 -0.41 120.40 126.37 1j96 s VAL 267 Ca 0.44 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1j96 s VAL 267 Cb -0.19 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1j96 s VAL 267 CO 0.22 0.57 0.39 -0.76 -3.33 0.00 0.00 175.10 172.19 1j96 s LEU 268 N -0.29 4.23 -0.17 2.54 1.43 -0.65 -0.48 118.68 125.29 1j96 s LEU 268 Ca 0.01 0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1j96 s LEU 268 Cb -0.13 -3.10 0.08 0.00 0.03 0.00 0.00 46.19 43.07 1j96 s LEU 268 CO 0.03 -0.06 0.31 0.00 0.23 0.00 0.00 176.35 176.86 1j96 s ALA 269 N -1.91 -0.74 -0.11 4.21 0.00 -0.22 -4.49 121.76 118.50 1j96 s ALA 269 Ca 0.37 1.01 -0.14 0.00 0.00 0.00 0.00 51.96 53.20 1j96 s ALA 269 Cb -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1j96 s ALA 269 CO 0.30 -0.80 0.32 0.21 0.00 0.00 0.00 175.76 175.79 1j96 s LYS 270 N 2.47 4.09 -0.19 0.00 2.36 -1.26 -1.29 119.74 125.92 1j96 s LYS 270 Ca 0.02 0.18 -0.14 0.00 -2.55 0.00 0.00 55.97 53.49 1j96 s LYS 270 Cb -0.13 -3.35 0.05 0.00 -1.05 0.00 0.00 37.83 33.36 1j96 s LYS 270 CO -0.11 0.40 0.47 0.45 1.55 0.00 0.00 175.35 178.12 1j96 s SER 271 N -0.07 -0.55 -0.04 1.43 0.15 -1.26 -4.95 113.70 108.42 1j96 s SER 271 Ca 0.19 0.99 0.15 0.00 0.70 0.00 0.00 55.95 57.98 1j96 s SER 271 Cb -0.14 0.94 0.46 0.00 -1.71 0.00 0.00 66.02 65.57 1j96 s SER 271 CO 0.07 -0.18 1.38 -1.22 1.20 0.00 0.00 173.24 174.49 1j96 n TYR 272 N 3.47 0.76 -3.88 3.44 4.02 -1.26 -4.82 117.16 118.90 1j96 n TYR 272 Ca -0.17 -0.56 -0.35 0.00 -0.01 0.00 0.00 57.90 56.80 1j96 n TYR 272 Cb 0.56 -0.09 -0.10 0.00 -0.02 0.00 0.00 39.34 39.70 1j96 n TYR 272 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1j96 s ASN 273 N -1.10 5.64 0.19 7.72 3.84 -1.26 -4.87 114.94 125.10 1j96 s ASN 273 Ca 0.34 0.03 -0.13 0.00 0.21 0.00 0.00 52.86 53.31 1j96 s ASN 273 Cb 0.20 -1.99 0.19 0.00 -0.55 0.00 0.00 41.25 39.10 1j96 s ASN 273 CO 0.20 0.10 1.70 -0.08 -2.79 0.00 0.00 177.10 176.23 1j96 h GLU 274 N 7.22 0.16 -0.46 0.43 4.81 -1.99 -0.04 114.58 124.70 1j96 h GLU 274 Ca -0.37 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.71 1j96 h GLU 274 Cb 1.17 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1j96 h GLU 274 CO 0.66 0.11 -0.24 0.37 -0.73 0.00 0.00 179.01 179.18 1j96 h GLN 275 N 0.17 0.98 -0.26 1.92 4.15 -1.99 -2.41 115.11 117.67 1j96 h GLN 275 Ca 0.25 -0.44 -0.09 0.00 0.77 0.00 0.00 58.65 59.14 1j96 h GLN 275 Cb 0.36 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1j96 h GLN 275 CO -0.37 1.11 -0.24 0.00 -1.93 0.00 0.00 178.83 177.40 1j96 h ARG 276 N 0.83 0.49 -0.40 1.69 3.08 -1.86 -0.13 114.38 118.08 1j96 h ARG 276 Ca 0.10 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1j96 h ARG 276 Cb 0.82 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1j96 h ARG 276 CO 0.07 0.69 0.24 0.82 -1.07 0.00 0.00 179.97 180.73 1j96 h ILE 277 N 0.43 1.06 -0.25 2.04 2.04 -0.89 -0.42 117.51 121.52 1j96 h ILE 277 Ca 0.07 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 1j96 h ILE 277 Cb 0.65 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1j96 h ILE 277 CO 0.05 0.09 -0.32 0.03 0.00 0.00 0.00 178.15 178.00 1j96 h ARG 278 N 0.49 0.52 -0.59 2.37 3.08 -1.23 -2.96 114.38 116.06 1j96 h ARG 278 Ca 0.16 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1j96 h ARG 278 Cb -0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1j96 h ARG 278 CO -0.06 0.78 0.19 0.37 -1.07 0.00 0.00 179.97 180.17 1j96 h GLN 279 N 0.44 0.92 0.00 0.04 4.15 -0.58 -3.15 115.11 116.93 1j96 h GLN 279 Ca 0.05 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.24 1j96 h GLN 279 Cb 0.77 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1j96 h GLN 279 CO 0.06 0.82 -0.17 -0.91 -1.93 0.00 0.00 178.83 176.70 1j96 h ASN 280 N 0.84 0.00 0.71 -0.69 2.35 -0.91 -0.97 115.58 116.91 1j96 h ASN 280 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1j96 h ASN 280 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1j96 h ASN 280 CO -0.01 0.17 0.00 0.52 -1.65 0.00 0.00 177.43 176.47 1j96 n VAL 281 N -4.27 0.84 1.08 2.81 0.31 -1.19 -2.34 118.33 115.57 1j96 n VAL 281 Ca -0.02 0.21 0.08 0.00 -0.01 0.00 0.00 64.34 64.59 1j96 n VAL 281 Cb 0.24 -1.09 0.45 0.00 -0.91 0.00 0.00 33.84 32.53 1j96 n VAL 281 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j96 n GLN 282 N -2.06 0.54 0.30 5.55 6.02 -0.37 -3.09 117.38 124.27 1j96 n GLN 282 Ca 0.03 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.17 1j96 n GLN 282 Cb 0.23 -1.44 0.91 0.00 1.02 0.00 0.00 30.24 30.96 1j96 n GLN 282 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1j96 h VAL 283 N 0.00 0.52 -0.12 5.09 3.04 -1.65 -1.08 116.25 122.04 1j96 h VAL 283 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1j96 h VAL 283 Cb 0.00 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 1j96 h VAL 283 CO 0.00 0.01 0.00 0.49 -1.01 0.00 0.00 177.57 177.06 1j96 n PHE 284 N -3.82 0.16 0.88 3.17 3.72 -1.18 -4.07 117.46 116.32 1j96 n PHE 284 Ca -0.03 -0.08 0.10 0.00 -0.05 0.00 0.00 57.45 57.40 1j96 n PHE 284 Cb 0.09 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 1j96 n PHE 284 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1j96 n GLU 285 N -0.07 1.78 -3.94 -1.08 -0.58 -0.41 -4.99 120.64 111.34 1j96 n GLU 285 Ca 0.14 -1.50 -0.09 0.00 -0.42 0.00 0.00 57.16 55.28 1j96 n GLU 285 Cb 0.22 -1.40 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 1j96 n GLU 285 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1j96 s PHE 286 N -1.91 0.27 0.09 -0.32 -0.71 -1.26 -5.17 117.98 108.97 1j96 s PHE 286 Ca 0.22 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.52 1j96 s PHE 286 Cb 0.17 0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 1j96 s PHE 286 CO 0.34 -0.93 -0.10 -0.65 -1.34 0.00 0.00 175.22 172.53 1j96 s GLN 287 N -3.98 0.80 -0.03 1.99 -0.21 -1.26 -5.00 119.66 111.97 1j96 s GLN 287 Ca 0.19 -1.07 -0.04 0.00 0.02 0.00 0.00 55.36 54.45 1j96 s GLN 287 Cb -0.00 -0.55 -0.04 0.00 1.00 0.00 0.00 33.01 33.42 1j96 s GLN 287 CO 0.05 0.09 0.19 -0.51 -2.12 0.00 0.00 175.29 173.00 1j96 s LEU 288 N -2.22 4.38 0.75 2.90 1.43 -1.26 -5.11 118.68 119.55 1j96 s LEU 288 Ca 0.02 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 1j96 s LEU 288 Cb -0.05 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.71 1j96 s LEU 288 CO 0.00 0.29 1.12 0.42 0.23 0.00 0.00 176.35 178.42 1j96 s THR 289 N -1.25 2.97 0.38 5.49 -4.23 -1.26 -4.85 115.64 112.89 1j96 s THR 289 Ca 0.25 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 61.12 1j96 s THR 289 Cb -0.13 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 70.67 1j96 s THR 289 CO 0.15 -0.41 2.00 0.77 -0.54 0.00 0.00 174.62 176.58 1j96 h SER 290 N -0.84 0.53 -0.28 3.99 4.64 -1.99 -0.22 113.55 119.38 1j96 h SER 290 Ca -0.46 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1j96 h SER 290 Cb 1.28 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1j96 h SER 290 CO 0.64 0.44 0.10 -0.33 -0.87 0.00 0.00 176.83 176.81 1j96 h GLU 291 N 0.60 0.43 -0.73 4.77 4.39 -1.99 -1.28 114.58 120.76 1j96 h GLU 291 Ca 0.15 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1j96 h GLU 291 Cb 0.04 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1j96 h GLU 291 CO -0.02 0.47 0.36 0.93 -1.16 0.00 0.00 179.01 179.59 1j96 h GLU 292 N 0.29 1.05 -0.87 2.33 5.08 -1.78 -1.52 114.58 119.17 1j96 h GLU 292 Ca 0.09 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1j96 h GLU 292 Cb 0.22 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1j96 h GLU 292 CO -0.00 0.82 0.53 0.52 -1.00 0.00 0.00 179.01 179.88 1j96 h MET 293 N 1.03 1.18 -0.48 2.33 2.86 -0.85 -1.52 114.93 119.47 1j96 h MET 293 Ca 0.25 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1j96 h MET 293 Cb 0.11 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1j96 h MET 293 CO -0.03 0.82 -0.04 0.87 1.06 0.00 0.00 176.91 179.59 1j96 h LYS 294 N 1.20 0.83 -0.77 1.72 1.57 -0.93 -0.10 116.57 120.09 1j96 h LYS 294 Ca 0.31 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1j96 h LYS 294 Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1j96 h LYS 294 CO -0.06 0.86 0.29 0.00 -0.57 0.00 0.00 179.45 179.96 1j96 h ALA 295 N 1.19 1.05 -0.24 3.86 0.00 -0.68 -1.70 119.26 122.75 1j96 h ALA 295 Ca 0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1j96 h ALA 295 Cb 0.51 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1j96 h ALA 295 CO 0.03 0.66 -0.51 0.82 0.00 0.00 0.00 179.25 180.24 1j96 h ILE 296 N 1.13 1.30 -0.74 0.00 2.04 -0.95 -2.72 117.51 117.58 1j96 h ILE 296 Ca 0.25 -1.73 0.07 0.00 1.00 0.00 0.00 64.86 64.46 1j96 h ILE 296 Cb 0.24 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 1j96 h ILE 296 CO -0.02 0.55 0.49 0.44 0.00 0.00 0.00 178.15 179.61 1j96 h ASP 297 N 0.53 0.66 0.46 1.72 3.32 -0.71 -1.40 116.42 120.99 1j96 h ASP 297 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1j96 h ASP 297 Cb 1.07 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1j96 h ASP 297 CO 0.10 0.41 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 1j96 n GLY 298 N -1.45 -1.01 0.07 2.75 0.00 -0.66 -2.62 105.19 102.26 1j96 n GLY 298 Ca 0.11 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1j96 n GLY 298 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j96 n LEU 299 N -1.80 0.52 -4.65 0.99 4.77 -0.53 -4.89 117.00 111.41 1j96 n LEU 299 Ca 0.02 0.55 -0.56 0.00 -0.03 0.00 0.00 56.01 56.00 1j96 n LEU 299 Cb 0.15 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1j96 n LEU 299 CO 0.13 -0.13 1.11 -3.20 -1.33 0.00 0.00 177.39 173.97 1j96 n ASN 300 N -1.99 1.95 -0.96 -1.43 5.15 -0.87 -4.46 115.26 112.65 1j96 n ASN 300 Ca 0.06 1.10 -0.01 0.00 -0.60 0.00 0.00 54.58 55.13 1j96 n ASN 300 Cb 0.39 -1.15 -0.01 0.00 -0.53 0.00 0.00 39.78 38.48 1j96 n ASN 300 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1j96 n ARG 301 N 3.99 0.00 -3.35 1.20 1.85 -0.64 -4.99 116.66 114.71 1j96 n ARG 301 Ca 0.23 -1.12 -0.24 0.00 -1.00 0.00 0.00 57.85 55.72 1j96 n ARG 301 Cb 0.15 0.04 0.05 0.00 -1.05 0.00 0.00 32.46 31.65 1j96 n ARG 301 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1j96 n ASN 302 N 0.16 -5.86 -4.35 2.89 5.15 -0.88 -4.96 115.26 107.40 1j96 n ASN 302 Ca -0.06 -0.44 -0.43 0.00 -0.60 0.00 0.00 54.58 53.04 1j96 n ASN 302 Cb 0.80 -4.69 -0.08 0.00 -0.53 0.00 0.00 39.78 35.28 1j96 n ASN 302 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1j96 s VAL 303 N -3.22 4.97 -0.36 3.44 1.01 -0.99 -5.04 120.40 120.21 1j96 s VAL 303 Ca 0.45 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 1j96 s VAL 303 Cb -0.21 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1j96 s VAL 303 CO 0.56 -0.59 0.26 -0.60 0.00 0.00 0.00 175.10 174.73 1j96 s ARG 304 N 1.58 3.32 0.06 2.72 3.52 -1.26 -4.28 118.95 124.62 1j96 s ARG 304 Ca 0.04 -0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 54.70 1j96 s ARG 304 Cb -0.24 -3.85 -0.14 0.00 -1.56 0.00 0.00 34.95 29.15 1j96 s ARG 304 CO 0.05 -0.54 1.31 1.88 -0.81 0.00 0.00 175.30 177.19 1j96 h TYR 305 N 8.53 0.71 -3.53 5.12 0.05 -1.96 -3.41 116.97 122.49 1j96 h TYR 305 Ca -0.30 -0.27 -0.75 0.00 0.05 0.00 0.00 58.73 57.46 1j96 h TYR 305 Cb 1.15 -0.13 -0.28 0.00 1.01 0.00 0.00 36.73 38.47 1j96 h TYR 305 CO 0.63 1.01 -0.16 -1.17 -1.05 0.00 0.00 178.16 177.42 1j96 s LEU 306 N -8.79 6.12 0.13 3.88 2.96 -1.26 -4.40 118.68 117.32 1j96 s LEU 306 Ca -0.13 -2.40 0.15 0.00 -0.22 0.00 0.00 54.13 51.53 1j96 s LEU 306 Cb 0.07 -2.09 -0.09 0.00 0.50 0.00 0.00 46.19 44.57 1j96 s LEU 306 CO 0.82 -0.61 1.06 0.71 -1.32 0.00 0.00 176.35 177.01 1j96 h THR 307 N 5.37 0.79 -6.49 3.68 1.35 -1.80 -3.48 112.91 112.33 1j96 h THR 307 Ca -0.06 -2.30 -0.50 0.00 -0.55 0.00 0.00 66.41 63.00 1j96 h THR 307 Cb 1.04 2.29 -0.08 0.00 -1.73 0.00 0.00 68.15 69.66 1j96 h THR 307 CO 0.82 0.45 -0.84 0.18 -0.25 0.00 0.00 175.52 175.88 1j96 n LEU 308 N -3.06 -2.23 0.00 3.87 4.32 -1.26 -4.82 117.00 113.82 1j96 n LEU 308 Ca -0.06 -0.94 0.14 0.00 -0.02 0.00 0.00 56.01 55.13 1j96 n LEU 308 Cb 0.84 -2.30 0.79 0.00 -1.62 0.00 0.00 43.42 41.13 1j96 n LEU 308 CO 0.43 0.40 0.98 -0.90 -1.22 0.00 0.00 177.39 177.07 1j96 n ASP 309 N -2.87 0.00 0.29 -1.43 3.85 -1.26 -1.47 116.55 113.66 1j96 n ASP 309 Ca -0.12 -0.72 0.18 0.00 -0.71 0.00 0.00 54.79 53.41 1j96 n ASP 309 Cb 0.60 -0.05 0.80 0.00 -1.35 0.00 0.00 41.12 41.12 1j96 n ASP 309 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.20 176.35 1j96 h ILE 310 N 0.00 0.04 -0.52 2.12 3.07 -2.01 -1.88 117.51 118.33 1j96 h ILE 310 Ca 0.00 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1j96 h ILE 310 Cb 0.04 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 37.99 1j96 h ILE 310 CO 0.00 0.01 0.00 0.49 -1.05 0.00 0.00 178.15 177.60 1j96 n PHE 311 N -3.12 0.69 -2.12 0.16 3.72 -0.54 -4.95 117.46 111.30 1j96 n PHE 311 Ca -0.00 -0.34 -0.34 0.00 -0.05 0.00 0.00 57.45 56.71 1j96 n PHE 311 Cb 0.26 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.81 1j96 n PHE 311 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j96 s ALA 312 N -1.31 2.67 0.00 4.37 0.00 -0.71 -4.42 121.76 122.36 1j96 s ALA 312 Ca 0.40 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1j96 s ALA 312 Cb 0.22 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1j96 s ALA 312 CO 0.29 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1j96 n GLY 313 N -0.35 2.30 3.69 0.00 0.00 -1.26 -5.07 105.19 104.50 1j96 n GLY 313 Ca 0.10 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1j96 n GLY 313 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j96 n PRO 314 N 0.00 0.53 0.26 1.61 -0.02 -1.26 -4.89 135.00 131.24 1j96 n PRO 314 Ca 0.00 0.25 0.11 0.00 -2.02 0.00 0.00 63.50 61.83 1j96 n PRO 314 Cb 0.00 -2.44 0.71 0.00 -0.02 0.00 0.00 33.50 31.75 1j96 n PRO 314 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1j96 h PRO 315 N -0.35 0.00 0.00 0.52 0.13 -1.98 -1.13 132.00 129.19 1j96 h PRO 315 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j96 h PRO 315 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1j96 h PRO 315 CO 0.48 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.41 1j96 n ASN 316 N -4.07 0.09 -4.68 1.44 3.02 -1.26 -4.72 115.26 105.08 1j96 n ASN 316 Ca -0.03 0.52 -0.46 0.00 -0.03 0.00 0.00 54.58 54.58 1j96 n ASN 316 Cb 0.16 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.75 1j96 n ASN 316 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j96 n TYR 317 N -1.60 2.40 0.54 3.10 4.19 -0.43 -4.45 117.16 120.91 1j96 n TYR 317 Ca 0.05 -0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.37 1j96 n TYR 317 Cb 0.25 -2.66 0.14 0.00 0.49 0.00 0.00 39.34 37.56 1j96 n TYR 317 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1j96 h PRO 318 N 8.33 0.00 -0.27 2.98 0.13 -1.84 -3.38 132.00 137.95 1j96 h PRO 318 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1j96 h PRO 318 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1j96 h PRO 318 CO 0.93 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.89 1j96 n PHE 319 N -2.13 0.34 0.11 1.56 0.99 -1.26 -4.21 117.46 112.86 1j96 n PHE 319 Ca 0.03 -0.17 -0.23 0.00 -0.00 0.00 0.00 57.45 57.08 1j96 n PHE 319 Cb 0.45 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 38.79 1j96 n PHE 319 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1j96 h SER 320 N 3.60 0.88 -4.25 4.37 0.02 -1.98 -3.46 113.55 112.73 1j96 h SER 320 Ca 0.00 -0.85 -0.52 0.00 -0.84 0.00 0.00 61.79 59.57 1j96 h SER 320 Cb 0.79 -0.28 0.17 0.00 0.14 0.00 0.00 62.40 63.22 1j96 h SER 320 CO 0.00 1.65 0.30 -1.81 -1.14 0.00 0.00 176.83 175.83 1j96 s ASP 321 N -7.49 3.63 0.17 3.07 1.01 -1.26 -4.92 116.67 110.88 1j96 s ASP 321 Ca -0.09 2.17 -0.15 0.00 0.71 0.00 0.00 52.55 55.19 1j96 s ASP 321 Cb 0.05 -2.57 0.12 0.00 1.01 0.00 0.00 42.92 41.53 1j96 s ASP 321 CO 0.94 -2.63 1.71 -0.08 0.21 0.00 0.00 175.17 175.32 1j96 h GLU 322 N -1.22 0.14 0.00 8.23 4.81 -1.93 -3.52 114.58 121.09 1j96 h GLU 322 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1j96 h GLU 322 Cb 1.27 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1j96 h GLU 322 CO 0.46 0.09 0.00 2.48 -0.73 0.00 0.00 179.01 181.31