#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2u n SER 4 N 0.00 -1.89 -1.02 4.39 2.88 -1.26 -4.93 113.62 111.79 1j2u n SER 4 Ca 0.00 0.82 0.12 0.00 -1.33 0.00 0.00 58.87 58.48 1j2u n SER 4 Cb 0.00 -1.01 0.15 0.00 -0.75 0.00 0.00 64.21 62.59 1j2u n SER 4 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1j2u n VAL 5 N -1.10 0.16 -3.41 2.46 0.24 -1.26 -4.92 118.33 110.50 1j2u n VAL 5 Ca 0.11 -0.57 -0.38 0.00 -2.04 0.00 0.00 64.34 61.45 1j2u n VAL 5 Cb 0.42 1.32 -0.08 0.00 -1.47 0.00 0.00 33.84 34.02 1j2u n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j2u s PHE 6 N -1.84 3.32 0.32 6.34 0.40 -1.26 -0.09 117.98 125.16 1j2u s PHE 6 Ca 0.32 0.50 0.06 0.00 -0.60 0.00 0.00 56.93 57.21 1j2u s PHE 6 Cb 0.21 -2.52 0.73 0.00 0.51 0.00 0.00 43.02 41.95 1j2u s PHE 6 CO 0.31 -0.08 1.82 0.28 0.70 0.00 0.00 175.22 178.24 1j2u h VAL 7 N 5.16 0.79 0.00 -0.44 2.07 -1.42 0.61 116.25 123.03 1j2u h VAL 7 Ca -0.34 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1j2u h VAL 7 Cb 1.16 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1j2u h VAL 7 CO 0.69 0.14 -0.05 1.23 0.02 0.00 0.00 177.57 179.60 1j2u h GLY 8 N 0.79 0.00 -1.75 2.17 0.00 -1.94 -1.95 103.07 100.40 1j2u h GLY 8 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1j2u h GLY 8 CO -0.30 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.42 1j2u n GLU 9 N -3.47 2.23 -3.86 4.80 1.02 0.20 -4.91 120.64 116.65 1j2u n GLU 9 Ca -0.02 -1.84 -0.23 0.00 -0.02 0.00 0.00 57.16 55.05 1j2u n GLU 9 Cb 0.18 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1j2u n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1j2u s LEU 10 N -1.69 4.28 0.63 -4.62 1.43 -0.74 -4.94 118.68 113.03 1j2u s LEU 10 Ca 0.35 0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.52 1j2u s LEU 10 Cb 0.21 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1j2u s LEU 10 CO 0.30 -0.07 1.01 0.42 0.23 0.00 0.00 176.35 178.25 1j2u s THR 11 N -1.95 4.24 0.48 5.49 -4.23 -1.26 -4.92 115.64 113.48 1j2u s THR 11 Ca 0.35 0.60 0.15 0.00 -1.18 0.00 0.00 61.69 61.61 1j2u s THR 11 Cb -0.10 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 70.26 1j2u s THR 11 CO 0.30 -0.89 2.06 4.11 -0.54 0.00 0.00 174.62 179.66 1j2u h TRP 12 N -0.36 0.00 -0.35 3.99 5.08 -1.99 -1.50 115.95 120.82 1j2u h TRP 12 Ca -0.45 -0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.41 1j2u h TRP 12 Cb 1.22 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 1j2u h TRP 12 CO 0.58 0.11 -0.23 0.87 -1.28 0.00 0.00 178.44 178.49 1j2u h LYS 13 N 0.00 0.78 -0.47 0.12 1.79 -1.99 -0.06 116.57 116.74 1j2u h LYS 13 Ca -0.00 -0.37 -0.06 0.00 -2.18 0.00 0.00 60.65 58.04 1j2u h LYS 13 Cb 0.19 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1j2u h LYS 13 CO 0.01 0.99 0.07 0.93 -1.08 0.00 0.00 179.45 180.37 1j2u h GLU 14 N 0.56 0.79 -0.33 3.15 5.08 -1.81 -1.49 114.58 120.53 1j2u h GLU 14 Ca 0.07 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1j2u h GLU 14 Cb 0.79 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1j2u h GLU 14 CO 0.06 0.80 0.12 -0.92 -1.00 0.00 0.00 179.01 178.08 1j2u h TYR 15 N 0.65 0.50 -0.64 4.33 3.20 -1.22 -2.21 116.97 121.58 1j2u h TYR 15 Ca 0.14 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1j2u h TYR 15 Cb 0.40 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 1j2u h TYR 15 CO 0.03 0.48 0.33 1.49 -1.64 0.00 0.00 178.16 178.84 1j2u h GLU 16 N 0.38 0.57 -0.58 1.82 4.81 -0.83 -1.46 114.58 119.29 1j2u h GLU 16 Ca 0.11 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1j2u h GLU 16 Cb 0.20 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1j2u h GLU 16 CO -0.01 0.38 0.09 0.00 -0.73 0.00 0.00 179.01 178.74 1j2u h ALA 17 N 1.37 1.08 -0.49 2.92 0.00 -1.14 0.31 119.26 123.30 1j2u h ALA 17 Ca 0.30 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1j2u h ALA 17 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1j2u h ALA 17 CO -0.22 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.47 1j2u h ARG 18 N 0.88 0.95 -0.24 0.00 2.47 -0.82 -2.03 114.38 115.57 1j2u h ARG 18 Ca 0.18 -0.37 -0.16 0.00 -1.26 0.00 0.00 59.98 58.37 1j2u h ARG 18 Cb 0.38 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1j2u h ARG 18 CO 0.01 1.03 -0.49 0.28 0.56 0.00 0.00 179.97 181.37 1j2u h VAL 19 N 0.83 1.30 0.00 2.04 2.07 -1.06 -3.08 116.25 118.36 1j2u h VAL 19 Ca 0.12 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1j2u h VAL 19 Cb 0.72 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1j2u h VAL 19 CO 0.06 0.54 -0.05 0.00 0.02 0.00 0.00 177.57 178.14 1j2u h ALA 20 N 0.93 1.46 -0.39 1.67 0.00 -0.61 -2.24 119.26 120.08 1j2u h ALA 20 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1j2u h ALA 20 Cb 1.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1j2u h ALA 20 CO 0.10 0.06 0.28 0.00 0.00 0.00 0.00 179.25 179.68 1j2u h ALA 21 N 1.95 2.28 0.00 0.00 0.00 -1.28 -3.47 119.26 118.75 1j2u h ALA 21 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j2u h ALA 21 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1j2u h ALA 21 CO 0.01 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.28 1j2u n GLY 22 N -1.59 1.87 1.21 0.00 0.00 -0.85 -4.90 105.19 100.92 1j2u n GLY 22 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1j2u n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j2u n ASP 23 N 0.00 1.84 -4.70 1.61 3.85 -1.26 -5.01 116.55 112.88 1j2u n ASP 23 Ca 0.00 -3.15 -0.42 0.00 -0.71 0.00 0.00 54.79 50.51 1j2u n ASP 23 Cb 0.00 -0.43 -0.03 0.00 -1.35 0.00 0.00 41.12 39.31 1j2u n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1j2u s VAL 25 N 1.91 5.39 0.04 0.00 1.01 -1.26 -4.22 120.40 123.26 1j2u s VAL 25 Ca 0.65 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1j2u s VAL 25 Cb -0.34 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1j2u s VAL 25 CO 0.29 0.41 0.01 -0.76 0.00 0.00 0.00 175.10 175.05 1j2u s LEU 26 N 0.55 3.53 -0.03 3.92 1.43 -0.16 -1.54 118.68 126.37 1j2u s LEU 26 Ca 0.09 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1j2u s LEU 26 Cb -0.12 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 1j2u s LEU 26 CO 0.00 0.23 -0.14 -0.04 0.23 0.00 0.00 176.35 176.63 1j2u s MET 27 N -1.90 1.46 -0.25 1.70 -1.94 0.38 -0.07 119.30 118.69 1j2u s MET 27 Ca 0.23 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 1j2u s MET 27 Cb -0.12 -1.30 0.07 0.00 2.01 0.00 0.00 34.83 35.49 1j2u s MET 27 CO 0.14 0.20 -0.02 -1.17 -0.01 0.00 0.00 175.02 174.17 1j2u s LEU 28 N 0.06 2.57 0.20 -0.03 2.96 0.48 -0.18 118.68 124.74 1j2u s LEU 28 Ca -0.03 -1.28 -0.30 0.00 -0.22 0.00 0.00 54.13 52.31 1j2u s LEU 28 Cb -0.10 -1.12 -0.08 0.00 0.50 0.00 0.00 46.19 45.38 1j2u s LEU 28 CO 0.01 -0.28 1.27 -2.84 -1.32 0.00 0.00 176.35 173.20 1j2u s PRO 29 N 1.43 4.42 -0.25 0.98 0.02 -1.26 -1.23 135.00 139.10 1j2u s PRO 29 Ca -0.02 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.00 1j2u s PRO 29 Cb -0.19 -3.21 0.07 0.00 0.02 0.00 0.00 34.50 31.19 1j2u s PRO 29 CO -0.09 -0.20 -0.03 0.08 -0.33 0.00 0.00 177.00 176.44 1j2u s VAL 30 N 0.04 1.55 0.00 3.83 1.01 0.08 -1.29 120.40 125.62 1j2u s VAL 30 Ca 0.55 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1j2u s VAL 30 Cb -0.35 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1j2u s VAL 30 CO 0.38 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1j2u n GLY 31 N 4.64 4.61 3.59 4.51 0.00 0.19 -0.82 105.19 121.92 1j2u n GLY 31 Ca -0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 1j2u n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2u s ALA 32 N -2.18 -2.00 -0.32 4.61 0.00 -1.23 -3.13 121.76 117.50 1j2u s ALA 32 Ca 0.00 1.17 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 1j2u s ALA 32 Cb 0.00 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.34 1j2u s ALA 32 CO 0.00 -0.74 0.04 -1.17 0.00 0.00 0.00 175.76 173.89 1j2u s LEU 33 N -2.46 4.14 -0.15 0.00 2.96 -1.14 -4.10 118.68 117.93 1j2u s LEU 33 Ca 0.09 -1.40 -0.12 0.00 -0.22 0.00 0.00 54.13 52.48 1j2u s LEU 33 Cb -0.00 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 45.00 1j2u s LEU 33 CO -0.05 -0.31 0.38 -0.70 -1.32 0.00 0.00 176.35 174.35 1j2u s GLU 34 N 1.23 0.43 0.32 1.98 2.12 -0.47 -1.10 118.70 123.21 1j2u s GLU 34 Ca -0.03 0.58 -0.28 0.00 0.36 0.00 0.00 54.97 55.61 1j2u s GLU 34 Cb -0.20 0.16 -0.13 0.00 0.26 0.00 0.00 34.13 34.22 1j2u s GLU 34 CO -0.01 -0.08 1.09 0.00 -0.54 0.00 0.00 175.26 175.72 1j2u n GLN 35 N 3.18 1.59 -2.66 4.30 -0.00 -1.26 -4.37 117.38 118.15 1j2u n GLN 35 Ca -0.15 0.56 -0.15 0.00 -0.00 0.00 0.00 57.00 57.25 1j2u n GLN 35 Cb 0.57 -2.01 0.02 0.00 -0.00 0.00 0.00 30.24 28.81 1j2u n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1j2u n HIS 36 N 0.18 1.77 -4.19 2.61 8.25 -1.26 -4.98 115.22 117.60 1j2u n HIS 36 Ca 0.08 -2.99 0.00 0.00 -0.26 0.00 0.00 57.72 54.55 1j2u n HIS 36 Cb 0.34 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1j2u n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j2u n GLY 37 N -0.15 -1.57 0.12 -1.41 0.00 -1.25 -3.72 105.19 97.21 1j2u n GLY 37 Ca 0.19 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 45.03 1j2u n GLY 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1j2u h HIS 38 N 0.00 0.00 -0.01 1.61 3.86 -1.84 -3.37 115.15 115.40 1j2u h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1j2u h HIS 38 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1j2u h HIS 38 CO 0.00 0.00 -0.17 -2.39 0.86 0.00 0.00 177.93 176.23 1j2u n HIS 39 N -2.44 0.00 -4.01 2.45 1.44 -1.26 -4.89 115.22 106.51 1j2u n HIS 39 Ca 0.04 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.67 1j2u n HIS 39 Cb 0.47 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.48 1j2u n HIS 39 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1j2u s MET 40 N -1.54 0.51 0.95 -1.40 0.00 -1.24 -1.31 119.30 115.26 1j2u s MET 40 Ca 0.15 -0.91 -0.15 0.00 0.00 0.00 0.00 55.69 54.77 1j2u s MET 40 Cb 0.12 0.18 0.17 0.00 0.00 0.00 0.00 34.83 35.31 1j2u s MET 40 CO 0.29 -0.10 1.23 0.00 0.00 0.00 0.00 175.02 176.43 1j2u n MET 42 N -3.81 0.25 -0.44 0.00 0.00 -1.26 -4.11 117.12 107.73 1j2u n MET 42 Ca 0.12 -0.16 0.09 0.00 0.00 0.00 0.00 57.70 57.74 1j2u n MET 42 Cb 0.60 -1.50 0.29 0.00 0.00 0.00 0.00 33.22 32.61 1j2u n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1j2u n ASN 43 N -1.24 3.80 -0.29 7.83 2.04 -1.26 -1.37 115.26 124.77 1j2u n ASN 43 Ca 0.07 -2.23 0.11 0.00 -0.44 0.00 0.00 54.58 52.09 1j2u n ASN 43 Cb 0.34 -0.49 0.27 0.00 -2.53 0.00 0.00 39.78 37.38 1j2u n ASN 43 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1j2u h VAL 44 N 3.53 0.48 0.00 3.53 2.07 -1.83 -0.88 116.25 123.15 1j2u h VAL 44 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1j2u h VAL 44 Cb 1.10 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1j2u h VAL 44 CO 0.12 0.07 0.00 0.44 0.02 0.00 0.00 177.57 178.22 1j2u h ASP 45 N 0.36 0.00 0.00 0.57 3.32 -1.81 -0.83 116.42 118.03 1j2u h ASP 45 Ca 0.52 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.37 1j2u h ASP 45 Cb 0.96 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1j2u h ASP 45 CO -0.53 0.00 -1.16 0.58 -1.72 0.00 0.00 179.24 176.42 1j2u h VAL 46 N 0.00 0.85 -0.45 -1.35 2.07 -1.35 -3.36 116.25 112.66 1j2u h VAL 46 Ca 0.00 -2.08 0.06 0.00 0.82 0.00 0.00 66.70 65.50 1j2u h VAL 46 Cb 0.41 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1j2u h VAL 46 CO 0.00 0.29 0.16 -0.07 0.02 0.00 0.00 177.57 177.97 1j2u h LEU 47 N -1.00 0.16 0.40 2.57 3.38 -0.99 -2.20 115.31 117.63 1j2u h LEU 47 Ca -0.31 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1j2u h LEU 47 Cb 1.22 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1j2u h LEU 47 CO -0.19 0.12 -0.19 -0.07 0.09 0.00 0.00 178.44 178.20 1j2u h LEU 48 N 0.32 -0.45 -1.52 1.67 3.38 -1.41 -0.58 115.31 116.72 1j2u h LEU 48 Ca 0.21 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1j2u h LEU 48 Cb 0.21 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1j2u h LEU 48 CO -0.22 -0.14 -0.19 1.55 0.09 0.00 0.00 178.44 179.54 1j2u h PRO 49 N -0.79 0.07 -0.29 1.13 0.13 -1.76 -1.22 132.00 129.27 1j2u h PRO 49 Ca -0.05 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1j2u h PRO 49 Cb 0.53 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1j2u h PRO 49 CO 0.09 0.26 0.07 1.15 -0.23 0.00 0.00 178.00 179.34 1j2u h THR 50 N 0.07 1.22 -0.95 1.56 2.02 -1.25 0.21 112.91 115.79 1j2u h THR 50 Ca 0.01 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 1j2u h THR 50 Cb 0.38 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1j2u h THR 50 CO 0.03 0.24 0.59 0.00 0.37 0.00 0.00 175.52 176.74 1j2u h ALA 51 N 0.90 1.21 -0.18 6.16 0.00 -0.65 0.37 119.26 127.07 1j2u h ALA 51 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1j2u h ALA 51 Cb 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j2u h ALA 51 CO 0.00 0.64 -0.06 0.28 0.00 0.00 0.00 179.25 180.11 1j2u h VAL 52 N 1.30 1.30 -0.56 0.00 2.07 -1.02 -2.61 116.25 116.73 1j2u h VAL 52 Ca 0.34 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1j2u h VAL 52 Cb -0.09 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1j2u h VAL 52 CO -0.07 0.32 0.23 0.00 0.02 0.00 0.00 177.57 178.07 1j2u h LYS 54 N 0.43 0.09 -0.47 0.00 3.64 -0.81 0.16 116.57 119.61 1j2u h LYS 54 Ca 0.27 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1j2u h LYS 54 Cb 0.28 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1j2u h LYS 54 CO -0.25 0.06 -0.14 0.00 -2.27 0.00 0.00 179.45 176.85 1j2u h ARG 55 N 0.09 0.90 -0.35 1.90 3.08 -1.14 -0.61 114.38 118.25 1j2u h ARG 55 Ca 0.13 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1j2u h ARG 55 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1j2u h ARG 55 CO -0.21 0.98 0.05 0.28 -1.07 0.00 0.00 179.97 180.01 1j2u h VAL 56 N 0.80 1.24 -0.79 2.04 2.07 -0.90 -2.47 116.25 118.24 1j2u h VAL 56 Ca 0.12 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1j2u h VAL 56 Cb 0.68 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1j2u h VAL 56 CO 0.05 0.28 0.52 0.00 0.02 0.00 0.00 177.57 178.44 1j2u h ALA 57 N 0.90 1.01 -0.58 1.67 0.00 -0.35 -0.01 119.26 121.91 1j2u h ALA 57 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1j2u h ALA 57 Cb 0.36 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1j2u h ALA 57 CO 0.01 0.40 0.36 0.93 0.00 0.00 0.00 179.25 180.95 1j2u h GLU 58 N 1.05 0.71 -0.29 0.00 5.08 -1.04 -0.30 114.58 119.80 1j2u h GLU 58 Ca 0.29 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 1j2u h GLU 58 Cb -0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1j2u h GLU 58 CO -0.07 0.47 -0.40 0.00 -1.00 0.00 0.00 179.01 178.01 1j2u h ARG 59 N 0.73 0.68 -0.10 2.33 3.08 -0.80 -3.34 114.38 116.96 1j2u h ARG 59 Ca 0.22 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1j2u h ARG 59 Cb -0.02 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1j2u h ARG 59 CO -0.08 0.96 0.00 0.44 -1.07 0.00 0.00 179.97 180.22 1j2u n ILE 60 N -4.04 0.23 -2.56 2.04 -5.35 -0.12 -4.99 119.36 104.57 1j2u n ILE 60 Ca -0.02 -0.61 -0.06 0.00 -0.27 0.00 0.00 62.75 61.79 1j2u n ILE 60 Cb 0.53 1.10 0.01 0.00 -1.74 0.00 0.00 39.64 39.53 1j2u n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j2u n GLY 61 N 0.72 0.46 3.97 3.28 0.00 -0.20 -5.04 105.19 108.38 1j2u n GLY 61 Ca 0.09 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 1j2u n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2u s ALA 62 N -2.82 4.43 0.15 4.61 0.00 -0.73 -4.72 121.76 122.67 1j2u s ALA 62 Ca 0.10 -1.80 0.11 0.00 0.00 0.00 0.00 51.96 50.37 1j2u s ALA 62 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1j2u s ALA 62 CO 0.12 -0.40 -0.26 -0.51 0.00 0.00 0.00 175.76 174.71 1j2u s LEU 63 N -4.35 2.36 -0.15 0.00 1.43 -0.59 -4.68 118.68 112.71 1j2u s LEU 63 Ca 0.53 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1j2u s LEU 63 Cb -0.06 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1j2u s LEU 63 CO 0.32 0.16 -0.18 -0.69 0.23 0.00 0.00 176.35 176.19 1j2u s VAL 64 N -1.22 2.42 0.53 -1.59 1.01 0.87 -0.47 120.40 121.95 1j2u s VAL 64 Ca 0.16 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1j2u s VAL 64 Cb -0.09 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1j2u s VAL 64 CO 0.07 0.53 0.92 -0.04 0.00 0.00 0.00 175.10 176.58 1j2u s MET 65 N 0.79 3.69 0.24 2.72 -1.94 0.74 -0.98 119.30 124.56 1j2u s MET 65 Ca -0.07 0.61 -0.31 0.00 -1.71 0.00 0.00 55.69 54.22 1j2u s MET 65 Cb -0.15 -2.22 -0.14 0.00 2.01 0.00 0.00 34.83 34.33 1j2u s MET 65 CO -0.00 -0.33 1.34 -2.30 -0.01 0.00 0.00 175.02 173.71 1j2u n PRO 66 N -2.14 1.86 -2.49 2.03 -0.02 -1.26 -4.51 135.00 128.47 1j2u n PRO 66 Ca 0.04 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 1j2u n PRO 66 Cb 0.54 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 1j2u n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1j2u s GLY 67 N 0.15 2.29 -0.20 -1.23 0.00 -1.26 -4.74 107.32 102.32 1j2u s GLY 67 Ca 0.67 0.40 -0.29 0.00 0.00 0.00 0.00 44.72 45.50 1j2u s GLY 67 CO 0.52 0.69 1.19 1.08 0.00 0.00 0.00 173.10 176.58 1j2u s LEU 68 N -3.74 4.12 0.24 0.66 1.43 -0.42 -4.92 118.68 116.06 1j2u s LEU 68 Ca 0.63 1.53 0.20 0.00 -1.03 0.00 0.00 54.13 55.46 1j2u s LEU 68 Cb -0.13 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.61 1j2u s LEU 68 CO 0.24 -0.77 1.20 1.56 0.23 0.00 0.00 176.35 178.81 1j2u h GLN 69 N 8.06 0.00 -5.40 1.70 1.08 -1.89 0.58 115.11 119.23 1j2u h GLN 69 Ca -0.24 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.35 1j2u h GLN 69 Cb 1.09 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.20 1j2u h GLN 69 CO 0.98 0.16 -0.85 0.71 -0.95 0.00 0.00 178.83 178.87 1j2u s TYR 70 N -3.16 2.01 0.19 2.96 1.51 -1.26 -2.89 117.35 116.71 1j2u s TYR 70 Ca 0.01 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1j2u s TYR 70 Cb 0.08 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.58 1j2u s TYR 70 CO 0.76 -0.23 0.01 0.41 -1.11 0.00 0.00 175.55 175.38 1j2u n GLY 71 N 3.23 3.93 3.74 0.71 0.00 -1.19 -4.75 105.19 110.87 1j2u n GLY 71 Ca -0.19 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.26 1j2u n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j2u s TYR 72 N -1.76 2.30 0.07 1.61 5.04 -1.26 -0.18 117.35 123.17 1j2u s TYR 72 Ca 0.01 1.60 -0.36 0.00 -2.44 0.00 0.00 57.07 55.89 1j2u s TYR 72 Cb 0.00 -3.25 -0.15 0.00 0.35 0.00 0.00 41.96 38.91 1j2u s TYR 72 CO 0.01 -2.14 1.52 1.63 -1.34 0.00 0.00 175.55 175.23 1j2u n LYS 73 N -3.00 1.65 -1.71 4.97 5.02 -1.25 -4.75 118.16 119.09 1j2u n LYS 73 Ca 0.11 0.60 -0.43 0.00 -2.02 0.00 0.00 58.31 56.56 1j2u n LYS 73 Cb 0.52 -2.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.19 1j2u n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j2u n SER 74 N 3.48 3.57 -4.79 4.39 2.88 -1.26 -4.89 113.62 117.00 1j2u n SER 74 Ca 0.19 1.10 -0.34 0.00 -1.33 0.00 0.00 58.87 58.49 1j2u n SER 74 Cb 0.23 -1.52 -0.07 0.00 -0.75 0.00 0.00 64.21 62.10 1j2u n SER 74 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1j2u s GLN 75 N 0.39 3.14 0.17 -1.46 -1.52 -1.26 -1.99 119.66 117.13 1j2u s GLN 75 Ca 0.72 -0.41 -0.16 0.00 -1.95 0.00 0.00 55.36 53.56 1j2u s GLN 75 Cb -0.56 -2.91 0.13 0.00 -0.22 0.00 0.00 33.01 29.44 1j2u s GLN 75 CO 0.41 0.67 1.68 0.37 -0.25 0.00 0.00 175.29 178.17 1j2u h GLN 76 N 4.32 0.07 0.00 2.91 4.15 -1.91 0.35 115.11 125.01 1j2u h GLN 76 Ca -0.50 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1j2u h GLN 76 Cb 1.19 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1j2u h GLN 76 CO 0.61 0.04 0.00 1.63 -1.93 0.00 0.00 178.83 179.19 1j2u n LYS 77 N -5.25 0.03 0.00 1.69 5.02 -1.26 -2.25 118.16 116.14 1j2u n LYS 77 Ca 0.03 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1j2u n LYS 77 Cb 0.23 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1j2u n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1j2u n SER 78 N -1.61 0.60 -0.14 4.39 3.41 -0.86 -4.22 113.62 115.20 1j2u n SER 78 Ca 0.04 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1j2u n SER 78 Cb 0.21 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1j2u n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2u n GLY 79 N 0.82 0.02 1.83 5.00 0.00 0.12 -4.63 105.19 108.34 1j2u n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j2u n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2u n GLY 80 N 0.00 2.30 0.00 -0.02 0.00 -0.95 -4.79 105.19 101.73 1j2u n GLY 80 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1j2u n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2u n GLY 81 N 0.00 3.76 0.01 -0.02 0.00 -1.23 -4.41 105.19 103.31 1j2u n GLY 81 Ca 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.48 1j2u n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j2u n ASN 82 N 0.00 0.04 0.04 1.61 2.85 -0.84 -3.02 115.26 115.93 1j2u n ASN 82 Ca 0.00 -1.77 0.13 0.00 -0.11 0.00 0.00 54.58 52.83 1j2u n ASN 82 Cb 0.00 -0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.36 1j2u n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j2u n HIS 83 N -0.59 0.32 -2.04 1.20 1.44 -1.26 -4.90 115.22 109.39 1j2u n HIS 83 Ca 0.06 0.09 -0.37 0.00 -2.01 0.00 0.00 57.72 55.49 1j2u n HIS 83 Cb 0.03 -0.55 0.02 0.00 0.12 0.00 0.00 29.99 29.61 1j2u n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1j2u s PHE 84 N -3.07 2.53 0.79 -1.40 0.40 -1.17 -5.01 117.98 111.05 1j2u s PHE 84 Ca 0.10 1.49 -0.12 0.00 -0.60 0.00 0.00 56.93 57.80 1j2u s PHE 84 Cb 0.16 -3.53 0.07 0.00 0.51 0.00 0.00 43.02 40.23 1j2u s PHE 84 CO 0.65 -2.14 1.13 -2.14 0.70 0.00 0.00 175.22 173.41 1j2u s PRO 85 N -3.02 1.97 0.00 0.24 0.02 -1.26 -3.90 135.00 129.05 1j2u s PRO 85 Ca 0.71 1.42 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1j2u s PRO 85 Cb -0.32 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1j2u s PRO 85 CO 0.37 -1.90 0.00 0.41 -0.33 0.00 0.00 177.00 175.55 1j2u n GLY 86 N -0.40 1.87 3.67 0.52 0.00 -1.26 -4.62 105.19 104.97 1j2u n GLY 86 Ca 0.11 -0.20 -0.51 0.00 0.00 0.00 0.00 46.02 45.42 1j2u n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j2u n THR 87 N 0.00 0.27 -3.79 2.61 -1.04 -1.25 -4.66 114.28 106.42 1j2u n THR 87 Ca 0.00 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.67 1j2u n THR 87 Cb 0.00 -1.43 -0.15 0.00 -1.82 0.00 0.00 70.33 66.92 1j2u n THR 87 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1j2u s THR 88 N 2.51 1.03 0.07 12.58 2.01 -0.26 -4.97 115.64 128.61 1j2u s THR 88 Ca 0.89 -1.32 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1j2u s THR 88 Cb -0.83 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1j2u s THR 88 CO 0.51 -0.51 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.39 1j2u s SER 89 N 1.56 4.43 0.33 3.53 0.01 -1.26 -4.40 113.70 117.90 1j2u s SER 89 Ca 0.06 -0.32 -0.08 0.00 1.31 0.00 0.00 55.95 56.92 1j2u s SER 89 Cb -0.18 -0.89 -0.06 0.00 0.21 0.00 0.00 66.02 65.10 1j2u s SER 89 CO -0.18 0.21 0.66 -0.76 0.41 0.00 0.00 173.24 173.58 1j2u s LEU 90 N -1.93 3.98 0.71 2.44 1.43 0.75 -4.87 118.68 121.18 1j2u s LEU 90 Ca 0.20 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 1j2u s LEU 90 Cb -0.11 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.35 1j2u s LEU 90 CO 0.12 -0.27 1.10 -1.81 0.23 0.00 0.00 176.35 175.72 1j2u s ASP 91 N -3.01 4.82 0.18 2.29 -0.00 -1.26 -3.78 116.67 115.91 1j2u s ASP 91 Ca 0.48 1.93 -0.13 0.00 -0.00 0.00 0.00 52.55 54.83 1j2u s ASP 91 Cb -0.11 -2.54 0.10 0.00 -0.00 0.00 0.00 42.92 40.38 1j2u s ASP 91 CO 0.29 -1.82 1.83 1.23 -0.00 0.00 0.00 175.17 176.69 1j2u h GLY 92 N -0.48 0.79 1.36 0.21 0.00 -1.98 -2.20 103.07 100.77 1j2u h GLY 92 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1j2u h GLY 92 CO 0.53 0.25 0.41 0.00 0.00 0.00 0.00 176.54 177.72 1j2u h ALA 93 N 1.23 1.51 -0.05 3.60 0.00 -1.99 -1.09 119.26 122.46 1j2u h ALA 93 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j2u h ALA 93 Cb -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1j2u h ALA 93 CO -0.07 0.44 0.03 1.15 0.00 0.00 0.00 179.25 180.80 1j2u h THR 94 N 0.88 1.09 -0.13 0.00 2.02 -1.78 -0.90 112.91 114.09 1j2u h THR 94 Ca 0.23 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1j2u h THR 94 Cb -0.07 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1j2u h THR 94 CO -0.05 0.08 0.03 0.25 0.37 0.00 0.00 175.52 176.20 1j2u h LEU 95 N -0.02 0.21 -0.35 2.58 5.85 -1.18 -1.43 115.31 120.97 1j2u h LEU 95 Ca 0.02 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.56 1j2u h LEU 95 Cb 0.10 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1j2u h LEU 95 CO -0.00 0.40 -0.08 0.74 -0.34 0.00 0.00 178.44 179.16 1j2u h THR 96 N 0.00 0.65 -0.21 1.05 2.02 -1.24 -1.76 112.91 113.42 1j2u h THR 96 Ca 0.04 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1j2u h THR 96 Cb 0.28 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1j2u h THR 96 CO 0.00 0.00 0.01 1.23 0.37 0.00 0.00 175.52 177.14 1j2u h GLY 97 N 0.01 0.33 0.79 2.16 0.00 -1.00 -0.86 103.07 104.49 1j2u h GLY 97 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1j2u h GLY 97 CO -0.36 0.16 -0.15 -0.84 0.00 0.00 0.00 176.54 175.35 1j2u h THR 98 N 0.30 1.33 -0.34 4.70 2.02 -0.53 0.37 112.91 120.77 1j2u h THR 98 Ca 0.07 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 1j2u h THR 98 Cb 0.19 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1j2u h THR 98 CO 0.00 0.39 0.16 0.58 0.37 0.00 0.00 175.52 177.02 1j2u h VAL 99 N 0.08 1.16 -0.27 3.16 2.07 -1.16 -2.01 116.25 119.28 1j2u h VAL 99 Ca 0.03 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1j2u h VAL 99 Cb 0.68 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1j2u h VAL 99 CO 0.04 0.17 0.04 -0.61 0.02 0.00 0.00 177.57 177.23 1j2u h GLN 100 N 0.41 0.13 -0.66 1.57 4.15 -1.00 -1.72 115.11 117.98 1j2u h GLN 100 Ca 0.12 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1j2u h GLN 100 Cb 0.13 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 1j2u h GLN 100 CO -0.01 0.09 0.43 -0.44 -1.93 0.00 0.00 178.83 176.97 1j2u h ASP 101 N 0.13 0.74 -0.45 -0.69 3.32 -0.77 -1.63 116.42 117.08 1j2u h ASP 101 Ca 0.13 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1j2u h ASP 101 Cb 0.14 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1j2u h ASP 101 CO -0.18 0.53 0.07 0.40 -1.72 0.00 0.00 179.24 178.34 1j2u h ILE 102 N 0.88 1.25 -0.40 0.35 2.04 -1.10 -2.07 117.51 118.46 1j2u h ILE 102 Ca 0.25 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1j2u h ILE 102 Cb -0.07 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1j2u h ILE 102 CO -0.07 0.32 0.17 0.40 0.00 0.00 0.00 178.15 178.97 1j2u h ILE 103 N 0.61 1.19 -0.68 -0.67 2.04 -1.16 -0.63 117.51 118.22 1j2u h ILE 103 Ca 0.14 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.54 1j2u h ILE 103 Cb 0.39 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 1j2u h ILE 103 CO 0.01 0.21 0.28 -0.09 0.00 0.00 0.00 178.15 178.56 1j2u h ARG 104 N 0.51 0.45 -0.35 2.37 2.43 -1.17 -1.00 114.38 117.62 1j2u h ARG 104 Ca 0.14 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1j2u h ARG 104 Cb 0.16 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1j2u h ARG 104 CO -0.01 0.30 -0.17 0.93 -1.51 0.00 0.00 179.97 179.51 1j2u h GLU 105 N 0.47 0.73 -0.77 0.20 4.39 -0.92 -1.90 114.58 116.77 1j2u h GLU 105 Ca 0.35 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.75 1j2u h GLU 105 Cb 0.45 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 1j2u h GLU 105 CO -0.33 0.93 0.50 -0.07 -1.16 0.00 0.00 179.01 178.88 1j2u h LEU 106 N 0.51 0.86 -1.07 1.33 3.38 -0.81 -1.19 115.31 118.32 1j2u h LEU 106 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j2u h LEU 106 Cb 0.71 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1j2u h LEU 106 CO 0.05 0.61 0.43 0.00 0.09 0.00 0.00 178.44 179.62 1j2u h ALA 107 N 1.30 1.29 -0.66 1.53 0.00 -1.06 -1.57 119.26 120.09 1j2u h ALA 107 Ca 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1j2u h ALA 107 Cb -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1j2u h ALA 107 CO -0.08 0.58 0.32 -0.09 0.00 0.00 0.00 179.25 179.98 1j2u h ARG 108 N 1.09 0.94 0.00 0.00 2.43 -0.44 -1.34 114.38 117.06 1j2u h ARG 108 Ca 0.28 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1j2u h ARG 108 Cb 0.02 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1j2u h ARG 108 CO -0.05 0.72 0.00 0.45 -1.51 0.00 0.00 179.97 179.59 1j2u h HIS 109 N 0.94 0.00 0.00 2.20 3.86 -0.39 -3.46 115.15 118.30 1j2u h HIS 109 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1j2u h HIS 109 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1j2u h HIS 109 CO 0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.21 1j2u n GLY 110 N -0.17 0.57 3.77 2.45 0.00 -0.50 -4.97 105.19 106.33 1j2u n GLY 110 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1j2u n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2u s ALA 111 N -2.00 3.11 0.00 4.61 0.00 -0.68 -4.95 121.76 121.85 1j2u s ALA 111 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1j2u s ALA 111 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1j2u s ALA 111 CO 0.00 -0.61 0.37 0.54 0.00 0.00 0.00 175.76 176.06 1j2u n ARG 112 N -0.09 0.24 -3.79 0.00 5.12 -1.26 -4.06 116.66 112.83 1j2u n ARG 112 Ca 0.05 -0.43 -0.25 0.00 -1.93 0.00 0.00 57.85 55.29 1j2u n ARG 112 Cb 0.47 -0.63 -0.17 0.00 -1.16 0.00 0.00 32.46 30.96 1j2u n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1j2u s ARG 113 N -0.12 0.77 -0.03 5.56 0.52 -1.26 -0.93 118.95 123.46 1j2u s ARG 113 Ca 0.00 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 1j2u s ARG 113 Cb 0.00 -1.31 0.02 0.00 0.52 0.00 0.00 34.95 34.18 1j2u s ARG 113 CO 0.00 -0.37 -0.02 -1.17 0.02 0.00 0.00 175.30 173.76 1j2u s LEU 114 N 1.91 1.40 -0.22 2.53 2.96 -0.89 -0.99 118.68 125.37 1j2u s LEU 114 Ca 0.04 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1j2u s LEU 114 Cb -0.13 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 1j2u s LEU 114 CO -0.06 -0.05 0.00 -0.69 -1.32 0.00 0.00 176.35 174.23 1j2u s VAL 115 N 0.75 3.81 -0.36 1.68 1.01 0.90 -1.06 120.40 127.13 1j2u s VAL 115 Ca -0.08 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1j2u s VAL 115 Cb -0.12 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1j2u s VAL 115 CO -0.01 0.40 0.35 -0.76 0.00 0.00 0.00 175.10 175.08 1j2u s LEU 116 N 1.35 4.58 -0.42 3.92 1.43 0.19 -0.39 118.68 129.34 1j2u s LEU 116 Ca 0.04 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1j2u s LEU 116 Cb -0.15 -2.29 0.07 0.00 0.03 0.00 0.00 46.19 43.85 1j2u s LEU 116 CO 0.00 -0.37 0.26 -0.32 0.23 0.00 0.00 176.35 176.16 1j2u s MET 117 N 1.95 2.65 0.23 1.70 1.75 -0.37 -1.71 119.30 125.50 1j2u s MET 117 Ca 0.10 -1.41 -0.30 0.00 -1.25 0.00 0.00 55.69 52.83 1j2u s MET 117 Cb -0.17 -3.79 -0.09 0.00 2.84 0.00 0.00 34.83 33.62 1j2u s MET 117 CO 0.12 -0.93 0.94 1.21 -0.65 0.00 0.00 175.02 175.71 1j2u s ASN 118 N 2.09 7.64 0.00 1.11 2.47 0.66 -0.74 114.94 128.17 1j2u s ASN 118 Ca 0.03 1.95 0.00 0.00 0.42 0.00 0.00 52.86 55.25 1j2u s ASN 118 Cb -0.23 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 36.96 1j2u s ASN 118 CO 0.03 0.14 0.48 0.61 -3.72 0.00 0.00 177.10 174.64 1j2u n GLY 119 N 1.53 -0.79 2.89 1.21 0.00 0.00 -3.11 105.19 106.92 1j2u n GLY 119 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1j2u n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j2u s HIS 120 N -0.09 1.48 0.27 1.61 5.65 -1.25 -4.63 115.29 118.33 1j2u s HIS 120 Ca 0.00 -0.80 0.01 0.00 0.25 0.00 0.00 55.06 54.51 1j2u s HIS 120 Cb 0.00 -1.22 0.62 0.00 -1.18 0.00 0.00 32.58 30.80 1j2u s HIS 120 CO 0.00 -0.53 1.72 -0.92 -0.65 0.00 0.00 174.74 174.35 1j2u h TYR 121 N 8.17 0.64 0.00 3.88 3.20 -1.94 -1.93 116.97 129.00 1j2u h TYR 121 Ca -0.27 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1j2u h TYR 121 Cb 1.12 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1j2u h TYR 121 CO 0.46 0.03 0.00 0.39 -1.64 0.00 0.00 178.16 177.40 1j2u n GLU 122 N -5.00 0.02 0.16 1.82 4.71 -1.26 -3.67 120.64 117.42 1j2u n GLU 122 Ca 0.19 0.17 0.03 0.00 -0.01 0.00 0.00 57.16 57.54 1j2u n GLU 122 Cb 0.55 -1.53 0.24 0.00 -1.01 0.00 0.00 31.44 29.69 1j2u n GLU 122 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1j2u h ASN 123 N 0.00 0.00 -0.76 1.62 2.35 -1.67 -3.41 115.58 113.71 1j2u h ASN 123 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1j2u h ASN 123 Cb 0.36 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.60 1j2u h ASN 123 CO 0.00 0.49 -0.44 0.28 -1.65 0.00 0.00 177.43 176.10 1j2u h SER 124 N 0.00 -1.58 0.81 5.81 0.02 -1.76 -1.27 113.55 115.58 1j2u h SER 124 Ca -0.00 0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1j2u h SER 124 Cb 1.04 0.74 -0.01 0.00 0.14 0.00 0.00 62.40 64.31 1j2u h SER 124 CO 0.06 -0.30 -0.34 0.24 -1.14 0.00 0.00 176.83 175.35 1j2u h MET 125 N -0.13 0.00 0.00 3.45 2.86 -1.91 -1.24 114.93 117.97 1j2u h MET 125 Ca 0.22 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.67 1j2u h MET 125 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1j2u h MET 125 CO -0.81 0.34 -0.86 0.74 1.06 0.00 0.00 176.91 177.38 1j2u h PHE 126 N 0.00 0.23 -0.10 -0.22 -1.00 -1.55 -1.36 116.94 112.94 1j2u h PHE 126 Ca -0.00 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 1j2u h PHE 126 Cb 0.83 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.36 1j2u h PHE 126 CO 0.00 0.93 0.02 0.82 -1.61 0.00 0.00 178.31 178.48 1j2u h ILE 127 N 0.08 1.20 -0.49 -0.55 2.04 -0.87 -1.54 117.51 117.39 1j2u h ILE 127 Ca -0.04 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.29 1j2u h ILE 127 Cb 1.48 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.92 1j2u h ILE 127 CO 0.13 0.18 0.03 0.58 0.00 0.00 0.00 178.15 179.07 1j2u h VAL 128 N -0.06 0.65 -0.79 1.67 2.07 -1.16 0.14 116.25 118.77 1j2u h VAL 128 Ca 0.03 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1j2u h VAL 128 Cb 0.26 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1j2u h VAL 128 CO 0.00 0.03 0.32 -0.08 0.02 0.00 0.00 177.57 177.85 1j2u h GLU 129 N 0.15 1.18 -0.72 1.57 4.57 -1.14 -0.81 114.58 119.37 1j2u h GLU 129 Ca 0.25 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1j2u h GLU 129 Cb 0.36 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1j2u h GLU 129 CO -0.38 0.95 0.40 0.78 -1.18 0.00 0.00 179.01 179.58 1j2u h GLY 130 N 1.14 1.08 0.93 1.92 0.00 -0.47 -0.74 103.07 106.93 1j2u h GLY 130 Ca 0.26 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1j2u h GLY 130 CO -0.02 0.47 0.07 -2.22 0.00 0.00 0.00 176.54 174.83 1j2u h ILE 131 N 1.00 1.09 -0.68 2.60 2.04 -0.65 -1.68 117.51 121.23 1j2u h ILE 131 Ca 0.25 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1j2u h ILE 131 Cb 0.03 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1j2u h ILE 131 CO -0.04 0.08 0.43 -0.78 0.00 0.00 0.00 178.15 177.84 1j2u h ASP 132 N 0.10 0.80 -0.43 1.72 1.82 -0.72 -0.34 116.42 119.37 1j2u h ASP 132 Ca 0.04 -0.04 -0.10 0.00 -0.39 0.00 0.00 57.03 56.53 1j2u h ASP 132 Cb 0.07 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.87 1j2u h ASP 132 CO -0.01 0.60 -0.12 -0.07 -1.61 0.00 0.00 179.24 178.04 1j2u h LEU 133 N 0.92 0.89 -0.20 2.28 3.38 -1.07 -1.26 115.31 120.24 1j2u h LEU 133 Ca 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1j2u h LEU 133 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1j2u h LEU 133 CO -0.05 1.02 0.02 0.00 0.09 0.00 0.00 178.44 179.52 1j2u h ALA 134 N 1.06 0.27 -0.46 1.53 0.00 -0.94 -2.33 119.26 118.39 1j2u h ALA 134 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1j2u h ALA 134 Cb 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1j2u h ALA 134 CO 0.04 -0.05 0.14 -0.07 0.00 0.00 0.00 179.25 179.31 1j2u h LEU 135 N 0.12 0.61 -0.26 0.00 3.38 -0.97 -0.93 115.31 117.27 1j2u h LEU 135 Ca 0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1j2u h LEU 135 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1j2u h LEU 135 CO 0.01 0.59 0.14 -0.09 0.09 0.00 0.00 178.44 179.18 1j2u h ARG 136 N 0.66 0.29 -0.73 1.13 2.43 -1.11 -0.65 114.38 116.39 1j2u h ARG 136 Ca 0.15 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1j2u h ARG 136 Cb 0.21 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1j2u h ARG 136 CO -0.01 0.19 0.33 0.93 -1.51 0.00 0.00 179.97 179.90 1j2u h GLU 137 N 0.29 1.06 -0.81 0.20 5.08 -1.05 -2.34 114.58 117.01 1j2u h GLU 137 Ca 0.10 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1j2u h GLU 137 Cb 0.01 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1j2u h GLU 137 CO -0.06 0.84 0.50 -0.07 -1.00 0.00 0.00 179.01 179.23 1j2u h LEU 138 N 1.02 0.96 -1.23 1.33 3.38 -0.80 -1.78 115.31 118.20 1j2u h LEU 138 Ca 0.25 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1j2u h LEU 138 Cb 0.15 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1j2u h LEU 138 CO -0.03 0.73 0.53 -0.09 0.09 0.00 0.00 178.44 179.68 1j2u h ARG 139 N 1.11 0.98 -0.23 1.13 2.43 -0.74 0.96 114.38 120.01 1j2u h ARG 139 Ca 0.29 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1j2u h ARG 139 Cb -0.06 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1j2u h ARG 139 CO -0.06 0.65 0.16 1.88 -1.51 0.00 0.00 179.97 181.09 1j2u h TYR 140 N 1.01 0.18 -0.53 2.20 0.05 -0.81 -1.24 116.97 117.84 1j2u h TYR 140 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.10 1j2u h TYR 140 Cb 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1j2u h TYR 140 CO -0.00 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.22 1j2u n ALA 141 N -2.53 3.09 -1.49 3.88 0.00 -0.42 -4.91 120.51 118.12 1j2u n ALA 141 Ca 0.01 -1.35 -0.09 0.00 0.00 0.00 0.00 53.44 52.02 1j2u n ALA 141 Cb 0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1j2u n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j2u n GLY 142 N 0.94 0.79 3.42 0.00 0.00 -0.47 -5.02 105.19 104.85 1j2u n GLY 142 Ca 0.22 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1j2u n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2u s ILE 143 N -2.36 4.20 0.00 -0.61 1.01 0.20 -4.94 121.20 118.70 1j2u s ILE 143 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1j2u s ILE 143 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1j2u s ILE 143 CO 0.00 0.27 0.78 0.00 0.00 0.00 0.00 174.94 175.98 1j2u n GLN 144 N 4.91 1.69 -0.43 2.79 6.02 -1.26 -2.89 117.38 128.21 1j2u n GLN 144 Ca -0.16 -1.06 0.08 0.00 -0.01 0.00 0.00 57.00 55.85 1j2u n GLN 144 Cb 0.50 -0.81 0.26 0.00 1.02 0.00 0.00 30.24 31.22 1j2u n GLN 144 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1j2u n ASP 145 N -0.29 3.93 -4.69 1.08 3.85 -1.26 -4.91 116.55 114.26 1j2u n ASP 145 Ca 0.00 -2.51 -0.40 0.00 -0.71 0.00 0.00 54.79 51.16 1j2u n ASP 145 Cb 0.33 -0.46 -0.05 0.00 -1.35 0.00 0.00 41.12 39.59 1j2u n ASP 145 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1j2u s PHE 146 N -1.94 3.48 -0.05 2.11 2.19 -1.26 -4.84 117.98 117.67 1j2u s PHE 146 Ca 0.39 1.19 0.06 0.00 0.33 0.00 0.00 56.93 58.90 1j2u s PHE 146 Cb 0.27 -2.88 -0.01 0.00 -1.31 0.00 0.00 43.02 39.09 1j2u s PHE 146 CO 0.16 -0.08 -0.22 0.21 1.83 0.00 0.00 175.22 177.12 1j2u s LYS 147 N 1.50 2.18 -0.07 10.12 2.20 -0.10 -5.03 119.74 130.53 1j2u s LYS 147 Ca 0.36 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 55.22 1j2u s LYS 147 Cb -0.17 -1.90 -0.00 0.00 -1.51 0.00 0.00 37.83 34.25 1j2u s LYS 147 CO 0.15 0.35 -0.21 0.08 -0.36 0.00 0.00 175.35 175.37 1j2u s VAL 148 N -0.16 1.75 -0.20 4.02 1.01 -1.26 -2.10 120.40 123.47 1j2u s VAL 148 Ca -0.02 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1j2u s VAL 148 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1j2u s VAL 148 CO 0.02 0.49 0.01 -0.69 0.00 0.00 0.00 175.10 174.93 1j2u s VAL 149 N 0.23 4.05 -0.02 2.92 1.01 -0.23 -5.00 120.40 123.37 1j2u s VAL 149 Ca -0.12 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1j2u s VAL 149 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1j2u s VAL 149 CO 0.05 0.43 -0.24 0.54 0.00 0.00 0.00 175.10 175.88 1j2u s VAL 150 N 0.89 1.93 0.02 2.92 0.11 -1.26 -0.64 120.40 124.37 1j2u s VAL 150 Ca 0.01 -1.05 -0.25 0.00 -2.93 0.00 0.00 61.98 57.76 1j2u s VAL 150 Cb -0.14 -1.60 0.06 0.00 -1.53 0.00 0.00 36.38 33.17 1j2u s VAL 150 CO 0.02 0.54 0.58 -1.48 -3.33 0.00 0.00 175.10 171.43 1j2u s LEU 151 N -0.59 -0.33 -0.24 2.54 0.05 -0.70 -4.98 118.68 114.44 1j2u s LEU 151 Ca 0.09 0.35 -0.10 0.00 0.05 0.00 0.00 54.13 54.53 1j2u s LEU 151 Cb -0.09 2.31 -0.04 0.00 -2.05 0.00 0.00 46.19 46.31 1j2u s LEU 151 CO -0.01 -0.70 0.14 -0.44 -0.55 0.00 0.00 176.35 174.78 1j2u s SER 152 N -1.76 5.84 0.41 1.48 0.01 -1.26 -0.25 113.70 118.17 1j2u s SER 152 Ca -0.07 0.02 0.08 0.00 1.31 0.00 0.00 55.95 57.30 1j2u s SER 152 Cb -0.01 -2.05 0.89 0.00 0.21 0.00 0.00 66.02 65.06 1j2u s SER 152 CO 0.01 0.04 2.04 0.10 0.41 0.00 0.00 173.24 175.84 1j2u h TYR 153 N 7.72 0.51 0.00 2.43 -0.00 -1.91 -1.68 116.97 124.04 1j2u h TYR 153 Ca -0.37 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.35 1j2u h TYR 153 Cb 1.18 -0.17 -0.00 0.00 0.00 0.00 0.00 36.73 37.73 1j2u h TYR 153 CO 0.67 0.30 -0.11 0.11 -0.00 0.00 0.00 178.16 179.14 1j2u h TRP 154 N 0.53 0.00 0.00 0.10 0.09 -1.95 -2.56 115.95 112.16 1j2u h TRP 154 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.16 1j2u h TRP 154 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.31 1j2u h TRP 154 CO -0.00 0.11 0.00 -0.44 0.09 0.00 0.00 178.44 178.20 1j2u h ASP 155 N 0.00 0.00 0.65 0.11 3.32 -1.73 -1.47 116.42 117.30 1j2u h ASP 155 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j2u h ASP 155 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1j2u h ASP 155 CO 0.01 0.00 -0.05 0.49 -1.72 0.00 0.00 179.24 177.97 1j2u n PHE 156 N -2.44 0.00 -2.89 4.55 3.01 -0.96 -4.39 117.46 114.33 1j2u n PHE 156 Ca -0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 1j2u n PHE 156 Cb 0.10 -0.33 -0.02 0.00 -0.01 0.00 0.00 39.48 39.22 1j2u n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j2u s VAL 157 N -2.70 4.69 -0.06 -4.37 1.01 -0.56 -4.70 120.40 113.70 1j2u s VAL 157 Ca 0.23 -1.63 0.05 0.00 0.00 0.00 0.00 61.98 60.63 1j2u s VAL 157 Cb 0.20 -4.82 -0.07 0.00 0.00 0.00 0.00 36.38 31.68 1j2u s VAL 157 CO 0.50 -1.56 0.01 0.29 0.00 0.00 0.00 175.10 174.33 1j2u n LYS 158 N 6.67 2.57 -1.66 2.72 5.02 -1.26 -4.91 118.16 127.31 1j2u n LYS 158 Ca 0.26 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 56.06 1j2u n LYS 158 Cb 0.49 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 34.28 1j2u n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1j2u n ASP 159 N -2.30 3.11 0.07 4.39 2.03 -1.26 -4.82 116.55 117.77 1j2u n ASP 159 Ca -0.11 0.89 0.19 0.00 0.52 0.00 0.00 54.79 56.28 1j2u n ASP 159 Cb 0.69 -1.33 0.72 0.00 -0.72 0.00 0.00 41.12 40.49 1j2u n ASP 159 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1j2u h PRO 160 N 9.56 0.00 -0.43 -0.67 0.11 -1.99 0.78 132.00 139.36 1j2u h PRO 160 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1j2u h PRO 160 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1j2u h PRO 160 CO 0.96 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 178.55 1j2u h ALA 161 N 1.71 0.83 -0.12 -0.75 0.00 -1.99 -0.61 119.26 118.33 1j2u h ALA 161 Ca 0.20 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1j2u h ALA 161 Cb 0.88 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1j2u h ALA 161 CO -0.00 0.64 -0.26 0.28 0.00 0.00 0.00 179.25 179.91 1j2u h VAL 162 N 0.75 1.38 -0.75 0.00 2.07 -1.27 -2.30 116.25 116.14 1j2u h VAL 162 Ca 0.11 -1.56 0.09 0.00 0.82 0.00 0.00 66.70 66.16 1j2u h VAL 162 Cb 0.73 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.52 1j2u h VAL 162 CO 0.06 0.46 0.40 0.40 0.02 0.00 0.00 177.57 178.90 1j2u h ILE 163 N -0.04 0.88 -0.42 4.57 1.08 -1.09 -1.75 117.51 120.74 1j2u h ILE 163 Ca -0.00 -0.23 -0.09 0.00 -0.39 0.00 0.00 64.86 64.15 1j2u h ILE 163 Cb 0.86 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1j2u h ILE 163 CO 0.06 0.12 -0.10 -0.61 -0.69 0.00 0.00 178.15 176.93 1j2u h GLN 164 N 0.68 0.75 -0.64 2.37 4.15 -1.05 0.42 115.11 121.79 1j2u h GLN 164 Ca 0.36 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1j2u h GLN 164 Cb 0.34 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1j2u h GLN 164 CO -0.25 0.83 0.35 1.96 -1.93 0.00 0.00 178.83 179.78 1j2u h GLN 165 N 0.68 0.89 0.20 1.69 1.08 -0.75 -2.22 115.11 116.67 1j2u h GLN 165 Ca 0.12 -0.09 -0.34 0.00 -1.45 0.00 0.00 58.65 56.89 1j2u h GLN 165 Cb 0.57 -0.18 0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1j2u h GLN 165 CO 0.04 0.66 -1.61 -0.07 -0.95 0.00 0.00 178.83 176.89 1j2u h LEU 166 N 0.89 0.65 -6.19 1.46 3.38 -1.03 -3.42 115.31 111.05 1j2u h LEU 166 Ca 0.23 -0.84 -0.59 0.00 0.09 0.00 0.00 57.88 56.78 1j2u h LEU 166 Cb 0.03 -0.21 -0.41 0.00 0.09 0.00 0.00 40.66 40.16 1j2u h LEU 166 CO -0.04 1.69 -0.81 -1.22 0.09 0.00 0.00 178.44 178.15 1j2u n TYR 167 N -3.60 1.80 -0.03 1.13 4.02 0.15 -4.95 117.16 115.67 1j2u n TYR 167 Ca -0.20 -3.89 0.07 0.00 -0.01 0.00 0.00 57.90 53.87 1j2u n TYR 167 Cb 1.08 -0.44 0.45 0.00 -0.02 0.00 0.00 39.34 40.42 1j2u n TYR 167 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1j2u h PRO 168 N 4.27 0.49 -0.01 -0.72 0.13 -1.62 -1.18 132.00 133.36 1j2u h PRO 168 Ca 0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1j2u h PRO 168 Cb 0.77 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1j2u h PRO 168 CO 0.66 0.32 -0.03 0.39 -0.23 0.00 0.00 178.00 179.11 1j2u n GLU 169 N -4.48 1.36 0.00 0.86 1.02 -1.26 -4.99 120.64 113.15 1j2u n GLU 169 Ca 0.06 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 1j2u n GLU 169 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1j2u n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2u n GLY 170 N 1.16 3.45 3.69 0.62 0.00 -0.45 -5.06 105.19 108.60 1j2u n GLY 170 Ca 0.19 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 1j2u n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j2u s PHE 171 N -1.64 3.46 -1.69 1.61 5.36 -1.26 -4.85 117.98 118.98 1j2u s PHE 171 Ca 0.00 1.05 0.17 0.00 -0.96 0.00 0.00 56.93 57.19 1j2u s PHE 171 Cb 0.00 -2.78 0.02 0.00 -0.34 0.00 0.00 43.02 39.92 1j2u s PHE 171 CO 0.00 -0.04 0.93 1.28 -1.46 0.00 0.00 175.22 175.92 1j2u n LEU 172 N 4.45 1.84 0.00 6.12 4.77 -1.26 -5.09 117.00 127.83 1j2u n LEU 172 Ca -0.02 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1j2u n LEU 172 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1j2u n LEU 172 CO 0.45 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1j2u n GLY 173 N 1.16 3.35 0.15 -0.72 0.00 -1.26 -4.74 105.19 103.14 1j2u n GLY 173 Ca 0.08 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1j2u n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1j2u h TRP 174 N 0.00 0.00 -0.10 1.61 -0.00 -1.98 -2.95 115.95 112.52 1j2u h TRP 174 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.89 58.65 1j2u h TRP 174 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.17 1j2u h TRP 174 CO 0.00 0.00 -0.87 0.38 -0.00 0.00 0.00 178.44 177.95 1j2u h ASP 175 N 0.00 0.94 0.67 -3.49 -0.00 -1.88 -3.15 116.42 109.50 1j2u h ASP 175 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.03 56.37 1j2u h ASP 175 Cb 0.69 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.74 1j2u h ASP 175 CO 0.00 1.46 -0.15 -0.38 -0.00 0.00 0.00 179.24 180.17 1j2u n ILE 176 N -3.91 0.00 -2.66 4.15 5.41 -1.21 -3.94 119.36 117.20 1j2u n ILE 176 Ca -0.09 -0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.22 1j2u n ILE 176 Cb 0.79 -0.21 -0.01 0.00 -0.71 0.00 0.00 39.64 39.51 1j2u n ILE 176 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1j2u s GLU 177 N -2.82 3.89 -0.15 0.38 0.41 -1.12 -3.64 118.70 115.65 1j2u s GLU 177 Ca 0.19 -1.88 -0.01 0.00 -0.41 0.00 0.00 54.97 52.85 1j2u s GLU 177 Cb 0.19 -5.38 0.04 0.00 -1.78 0.00 0.00 34.13 27.20 1j2u s GLU 177 CO 0.55 -2.14 -0.03 -1.58 -0.49 0.00 0.00 175.26 171.58 1j2u s HIS 178 N 3.86 1.37 -0.58 1.61 5.65 -1.26 -4.78 115.29 121.16 1j2u s HIS 178 Ca 0.49 -0.86 0.00 0.00 0.25 0.00 0.00 55.06 54.94 1j2u s HIS 178 Cb 0.01 -1.16 0.00 0.00 -1.18 0.00 0.00 32.58 30.25 1j2u s HIS 178 CO 0.01 -0.56 0.00 0.41 -0.65 0.00 0.00 174.74 173.96 1j2u n GLY 179 N 4.96 0.76 0.00 1.59 0.00 -1.26 -1.98 105.19 109.26 1j2u n GLY 179 Ca -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1j2u n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2u n GLY 180 N -1.63 1.67 0.35 -0.02 0.00 -1.26 -4.39 105.19 99.91 1j2u n GLY 180 Ca -0.05 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 1j2u n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j2u h VAL 181 N 0.00 1.25 0.71 1.61 2.07 -1.85 -2.12 116.25 117.92 1j2u h VAL 181 Ca 0.00 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1j2u h VAL 181 Cb 0.00 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1j2u h VAL 181 CO 0.00 0.28 -0.34 0.15 0.02 0.00 0.00 177.57 177.68 1j2u h PHE 182 N 1.20 -0.88 -0.56 1.57 3.04 -1.95 -0.88 116.94 118.49 1j2u h PHE 182 Ca 0.30 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.13 1j2u h PHE 182 Cb 0.03 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 1j2u h PHE 182 CO 0.01 -0.52 -0.05 0.93 -2.02 0.00 0.00 178.31 176.65 1j2u h GLU 183 N -1.18 1.01 -0.58 1.11 5.08 -1.93 -2.31 114.58 115.78 1j2u h GLU 183 Ca -0.10 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 1j2u h GLU 183 Cb 0.75 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1j2u h GLU 183 CO 0.16 1.02 0.01 1.15 -1.00 0.00 0.00 179.01 180.35 1j2u h THR 184 N 0.91 1.26 -0.34 1.13 2.02 -1.41 -0.80 112.91 115.68 1j2u h THR 184 Ca 0.15 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1j2u h THR 184 Cb 0.60 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1j2u h THR 184 CO 0.04 0.41 0.21 0.28 0.37 0.00 0.00 175.52 176.82 1j2u h SER 185 N 0.92 0.41 -0.81 4.18 0.02 -1.04 0.26 113.55 117.49 1j2u h SER 185 Ca 0.17 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1j2u h SER 185 Cb 0.54 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1j2u h SER 185 CO 0.03 0.33 0.52 -0.07 -1.14 0.00 0.00 176.83 176.50 1j2u h LEU 186 N 0.45 0.88 -0.77 5.07 3.38 -1.09 -2.02 115.31 121.20 1j2u h LEU 186 Ca 0.12 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1j2u h LEU 186 Cb -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1j2u h LEU 186 CO -0.02 0.61 -0.20 0.24 0.09 0.00 0.00 178.44 179.16 1j2u h MET 187 N 1.03 0.71 -0.22 1.13 2.86 -0.76 -0.81 114.93 118.88 1j2u h MET 187 Ca 0.32 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1j2u h MET 187 Cb -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1j2u h MET 187 CO -0.10 0.86 0.04 -0.07 1.06 0.00 0.00 176.91 178.70 1j2u h LEU 188 N 0.63 0.28 0.08 1.22 3.38 -0.27 0.36 115.31 120.99 1j2u h LEU 188 Ca 0.09 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 1j2u h LEU 188 Cb 0.69 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1j2u h LEU 188 CO 0.05 0.30 -1.23 0.00 0.09 0.00 0.00 178.44 177.65 1j2u h ALA 189 N 1.74 0.24 0.00 1.53 0.00 -0.87 -3.36 119.26 118.54 1j2u h ALA 189 Ca 0.08 -0.96 -0.33 0.00 0.00 0.00 0.00 54.91 53.70 1j2u h ALA 189 Cb 0.14 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1j2u h ALA 189 CO -0.00 1.12 -2.25 1.28 0.00 0.00 0.00 179.25 179.40 1j2u n LEU 190 N -3.44 2.49 -3.19 0.00 4.77 -0.36 -4.81 117.00 112.47 1j2u n LEU 190 Ca -0.07 -0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.61 1j2u n LEU 190 Cb 1.00 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1j2u n LEU 190 CO 0.51 0.80 -0.25 -1.22 -1.33 0.00 0.00 177.39 175.90 1j2u n TYR 191 N -3.06 0.00 0.01 -1.77 4.01 0.12 -4.98 117.16 111.49 1j2u n TYR 191 Ca -0.37 -3.73 0.13 0.00 -0.16 0.00 0.00 57.90 53.76 1j2u n TYR 191 Cb 0.94 -0.38 0.57 0.00 -0.31 0.00 0.00 39.34 40.16 1j2u n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j2u h PRO 192 N 3.28 0.23 0.00 -0.72 0.13 -1.63 -0.39 132.00 132.89 1j2u h PRO 192 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1j2u h PRO 192 Cb 0.95 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1j2u h PRO 192 CO 0.49 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16 1j2u n ASP 193 N -4.46 0.55 -1.03 1.44 10.43 -1.26 -2.40 116.55 119.81 1j2u n ASP 193 Ca 0.07 0.66 0.11 0.00 2.57 0.00 0.00 54.79 58.19 1j2u n ASP 193 Cb 0.36 -0.76 0.26 0.00 1.84 0.00 0.00 41.12 42.81 1j2u n ASP 193 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1j2u n LEU 194 N -2.13 3.06 -4.06 0.64 4.77 -0.16 -4.87 117.00 114.25 1j2u n LEU 194 Ca 0.02 -1.37 -0.20 0.00 -0.03 0.00 0.00 56.01 54.43 1j2u n LEU 194 Cb 0.18 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 1j2u n LEU 194 CO 0.17 0.68 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.77 1j2u s VAL 195 N -1.48 0.91 -0.38 4.08 1.01 -1.01 -2.99 120.40 120.55 1j2u s VAL 195 Ca 0.38 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1j2u s VAL 195 Cb 0.21 -0.76 0.12 0.00 0.00 0.00 0.00 36.38 35.95 1j2u s VAL 195 CO 0.30 0.26 0.16 -0.62 0.00 0.00 0.00 175.10 175.20 1j2u s ASP 196 N -0.24 3.94 0.55 3.32 -1.08 -0.43 -4.95 116.67 117.77 1j2u s ASP 196 Ca 0.04 -2.18 0.22 0.00 -0.52 0.00 0.00 52.55 50.11 1j2u s ASP 196 Cb -0.05 -1.04 1.46 0.00 -1.46 0.00 0.00 42.92 41.83 1j2u s ASP 196 CO -0.00 -0.34 2.14 0.25 0.52 0.00 0.00 175.17 177.73 1j2u h LEU 197 N 7.37 0.00 -2.30 -1.34 5.85 -1.96 -0.67 115.31 122.27 1j2u h LEU 197 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1j2u h LEU 197 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1j2u h LEU 197 CO 0.49 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.03 1j2u h ASP 198 N 0.00 0.00 0.06 1.25 3.32 -1.96 -1.92 116.42 117.17 1j2u h ASP 198 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1j2u h ASP 198 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1j2u h ASP 198 CO -0.00 0.00 -0.11 0.54 -1.72 0.00 0.00 179.24 177.95 1j2u n ARG 199 N -2.92 1.47 -1.81 3.56 1.74 -0.26 -4.91 116.66 113.53 1j2u n ARG 199 Ca -0.02 -0.95 -0.42 0.00 -0.77 0.00 0.00 57.85 55.69 1j2u n ARG 199 Cb 0.13 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 1j2u n ARG 199 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j2u s VAL 200 N -2.18 2.36 -0.27 1.55 1.01 -0.73 -4.35 120.40 117.79 1j2u s VAL 200 Ca 0.31 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.29 1j2u s VAL 200 Cb 0.20 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1j2u s VAL 200 CO 0.40 0.01 0.61 -0.69 0.00 0.00 0.00 175.10 175.43 1j2u s VAL 201 N 1.49 4.99 -1.26 2.92 1.01 -1.26 -5.00 120.40 123.28 1j2u s VAL 201 Ca 0.74 1.00 -0.09 0.00 0.00 0.00 0.00 61.98 63.62 1j2u s VAL 201 Cb -0.47 -3.93 0.18 0.00 0.00 0.00 0.00 36.38 32.16 1j2u s VAL 201 CO 0.32 -0.01 1.83 -0.67 0.00 0.00 0.00 175.10 176.57 1j2u n ASP 202 N 5.73 5.19 -4.93 3.32 2.03 -1.26 -4.74 116.55 121.89 1j2u n ASP 202 Ca -0.01 -3.13 -0.25 0.00 0.52 0.00 0.00 54.79 51.92 1j2u n ASP 202 Cb 0.49 -1.47 -0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1j2u n ASP 202 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1j2u s HIS 203 N 0.22 3.43 0.61 -0.67 -3.43 -1.26 -5.03 115.29 109.16 1j2u s HIS 203 Ca 0.39 0.46 -0.18 0.00 -0.80 0.00 0.00 55.06 54.93 1j2u s HIS 203 Cb 0.09 -2.16 -0.03 0.00 -1.43 0.00 0.00 32.58 29.05 1j2u s HIS 203 CO 0.01 -0.16 1.15 -1.25 -2.00 0.00 0.00 174.74 172.49 1j2u s PRO 204 N -4.53 2.98 0.41 -0.38 0.04 -1.26 -4.12 135.00 128.15 1j2u s PRO 204 Ca 0.45 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 1j2u s PRO 204 Cb -0.10 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1j2u s PRO 204 CO 0.39 -1.14 1.34 -0.35 0.04 0.00 0.00 177.00 177.28 1j2u n PRO 205 N -1.84 2.12 -2.16 0.56 -0.04 -1.26 -4.86 135.00 127.53 1j2u n PRO 205 Ca 0.12 0.75 -0.41 0.00 -0.04 0.00 0.00 63.50 63.92 1j2u n PRO 205 Cb 0.51 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 1j2u n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j2u s ALA 206 N -1.17 3.52 0.17 0.55 0.00 -0.23 -5.02 121.76 119.57 1j2u s ALA 206 Ca 0.59 1.20 0.10 0.00 0.00 0.00 0.00 51.96 53.85 1j2u s ALA 206 Cb -0.50 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 1j2u s ALA 206 CO 0.59 -0.59 -0.21 0.95 0.00 0.00 0.00 175.76 176.50 1j2u s THR 207 N -0.58 2.05 0.02 0.00 -4.23 -1.26 -5.03 115.64 106.61 1j2u s THR 207 Ca 0.53 -1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 1j2u s THR 207 Cb -0.38 -1.93 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 1j2u s THR 207 CO 0.46 -0.18 0.12 -0.36 -0.54 0.00 0.00 174.62 174.12 1j2u s PHE 208 N -1.74 0.12 0.96 3.99 0.40 -1.26 -5.05 117.98 115.39 1j2u s PHE 208 Ca 0.17 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 1j2u s PHE 208 Cb -0.07 -0.09 0.16 0.00 0.51 0.00 0.00 43.02 43.53 1j2u s PHE 208 CO 0.08 -0.34 1.10 -1.25 0.70 0.00 0.00 175.22 175.50 1j2u s PRO 209 N -2.08 0.75 0.00 0.24 0.04 -1.26 -4.88 135.00 127.81 1j2u s PRO 209 Ca -0.09 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1j2u s PRO 209 Cb -0.04 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1j2u s PRO 209 CO -0.02 -2.52 1.66 -0.35 0.04 0.00 0.00 177.00 175.81 1j2u n PRO 210 N -4.04 0.96 -3.95 0.56 -0.04 -1.26 -4.78 135.00 122.45 1j2u n PRO 210 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1j2u n PRO 210 Cb 0.57 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 32.96 1j2u n PRO 210 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j2u s TYR 211 N 0.07 0.28 0.07 0.54 -0.85 -1.26 -5.18 117.35 111.03 1j2u s TYR 211 Ca 0.00 -0.65 0.08 0.00 -0.52 0.00 0.00 57.07 55.99 1j2u s TYR 211 Cb 0.00 0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.51 1j2u s TYR 211 CO 0.00 -0.96 -0.22 -0.51 -1.52 0.00 0.00 175.55 172.34 1j2u s ASP 212 N -2.99 2.68 -0.05 -0.18 1.11 -1.26 -5.09 116.67 110.89 1j2u s ASP 212 Ca 0.20 -0.60 0.05 0.00 0.18 0.00 0.00 52.55 52.38 1j2u s ASP 212 Cb -0.00 -0.20 -0.01 0.00 1.07 0.00 0.00 42.92 43.78 1j2u s ASP 212 CO 0.06 0.15 -0.22 -0.69 1.18 0.00 0.00 175.17 175.65 1j2u s VAL 213 N -0.92 1.79 -0.01 -1.27 1.01 -1.26 -5.13 120.40 114.61 1j2u s VAL 213 Ca 0.08 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1j2u s VAL 213 Cb -0.09 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1j2u s VAL 213 CO 0.03 0.50 -0.10 -0.36 0.00 0.00 0.00 175.10 175.17 1j2u s PHE 214 N -0.07 0.93 0.62 5.22 0.08 -1.26 -3.74 117.98 119.77 1j2u s PHE 214 Ca -0.04 -0.18 -0.18 0.00 0.12 0.00 0.00 56.93 56.64 1j2u s PHE 214 Cb -0.13 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.69 1j2u s PHE 214 CO 0.03 -0.03 1.24 -2.14 -0.10 0.00 0.00 175.22 174.23 1j2u s PRO 215 N -0.18 2.75 0.22 0.24 0.02 -1.26 -5.07 135.00 131.71 1j2u s PRO 215 Ca 0.03 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.65 1j2u s PRO 215 Cb -0.05 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.47 1j2u s PRO 215 CO -0.00 -1.40 1.63 0.54 -0.33 0.00 0.00 177.00 177.43 1j2u s VAL 216 N -1.54 2.25 -0.42 3.83 0.11 -1.25 -4.96 120.40 118.42 1j2u s VAL 216 Ca 0.79 0.19 -0.17 0.00 -2.93 0.00 0.00 61.98 59.86 1j2u s VAL 216 Cb -0.33 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.42 1j2u s VAL 216 CO 0.36 0.02 0.45 -0.62 -3.33 0.00 0.00 175.10 171.99 1j2u s ASP 217 N 0.96 6.21 0.54 3.54 3.68 -1.26 -4.98 116.67 125.35 1j2u s ASP 217 Ca 0.70 -0.64 0.21 0.00 2.13 0.00 0.00 52.55 54.95 1j2u s ASP 217 Cb -0.47 -2.23 1.44 0.00 -1.45 0.00 0.00 42.92 40.21 1j2u s ASP 217 CO 0.36 -0.59 2.17 -0.65 0.13 0.00 0.00 175.17 176.59 1j2u h PRO 218 N 8.73 0.00 0.00 4.34 0.11 -1.95 -2.12 132.00 141.11 1j2u h PRO 218 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1j2u h PRO 218 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j2u h PRO 218 CO 0.80 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 1j2u h ALA 219 N 1.97 1.00 -0.12 -0.75 0.00 -2.00 -2.68 119.26 116.68 1j2u h ALA 219 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j2u h ALA 219 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j2u h ALA 219 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1j2u n ARG 220 N -2.67 1.68 -4.91 0.00 1.74 -0.80 -4.79 116.66 106.91 1j2u n ARG 220 Ca 0.00 -1.01 -0.33 0.00 -0.77 0.00 0.00 57.85 55.74 1j2u n ARG 220 Cb 0.20 -1.41 -0.14 0.00 -1.02 0.00 0.00 32.46 30.09 1j2u n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1j2u s THR 221 N -1.85 2.95 0.26 0.55 2.01 -1.01 -4.95 115.64 113.60 1j2u s THR 221 Ca 0.34 -0.75 -0.31 0.00 0.31 0.00 0.00 61.69 61.28 1j2u s THR 221 Cb 0.18 -2.16 -0.13 0.00 0.01 0.00 0.00 72.50 70.40 1j2u s THR 221 CO 0.28 0.58 1.44 -2.65 -0.69 0.00 0.00 174.62 173.58 1j2u n PRO 222 N 2.56 2.20 -0.32 4.92 -0.02 -1.26 -4.87 135.00 138.22 1j2u n PRO 222 Ca -0.17 0.78 0.06 0.00 -2.02 0.00 0.00 63.50 62.15 1j2u n PRO 222 Cb 0.52 -2.46 0.16 0.00 -0.02 0.00 0.00 33.50 31.70 1j2u n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2u h ALA 223 N 4.14 0.73 0.00 3.55 0.00 -1.90 -0.54 119.26 125.23 1j2u h ALA 223 Ca -0.46 0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j2u h ALA 223 Cb 1.26 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1j2u h ALA 223 CO 0.75 -0.43 0.00 -1.35 0.00 0.00 0.00 179.25 178.22 1j2u h PRO 224 N 0.01 0.00 0.00 0.00 0.11 -1.98 -3.46 132.00 126.68 1j2u h PRO 224 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1j2u h PRO 224 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1j2u h PRO 224 CO -0.91 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.29 1j2u n GLY 225 N -0.52 1.03 3.81 -0.55 0.00 -0.21 -3.74 105.19 105.01 1j2u n GLY 225 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1j2u n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j2u s THR 226 N -2.28 4.14 -0.90 2.61 -4.23 -1.26 -4.40 115.64 109.32 1j2u s THR 226 Ca 0.00 1.36 0.22 0.00 -1.18 0.00 0.00 61.69 62.09 1j2u s THR 226 Cb 0.00 -3.56 -0.18 0.00 1.34 0.00 0.00 72.50 70.10 1j2u s THR 226 CO 0.00 -0.27 0.98 0.18 -0.54 0.00 0.00 174.62 174.97 1j2u n LEU 227 N -0.71 0.80 -3.51 4.79 4.77 -0.84 -4.43 117.00 117.87 1j2u n LEU 227 Ca 0.08 -0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 55.60 1j2u n LEU 227 Cb 0.53 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1j2u n LEU 227 CO 0.38 0.19 0.32 -0.94 -1.33 0.00 0.00 177.39 176.02 1j2u s SER 228 N -3.19 -0.48 0.20 -1.43 1.04 -1.24 -1.07 113.70 107.53 1j2u s SER 228 Ca 0.07 0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.27 1j2u s SER 228 Cb 0.16 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.74 1j2u s SER 228 CO 0.84 -0.84 1.14 -0.55 0.98 0.00 0.00 173.24 174.80 1j2u s SER 229 N -2.38 7.19 -0.11 7.02 0.15 -1.26 -4.01 113.70 120.30 1j2u s SER 229 Ca -0.02 2.19 0.15 0.00 0.70 0.00 0.00 55.95 58.97 1j2u s SER 229 Cb -0.00 -2.61 0.63 0.00 -1.71 0.00 0.00 66.02 62.33 1j2u s SER 229 CO -0.07 -0.26 1.51 0.00 1.20 0.00 0.00 173.24 175.62 1j2u n ALA 230 N 2.13 3.11 -0.35 5.45 0.00 -1.26 -3.93 120.51 125.66 1j2u n ALA 230 Ca 0.02 -1.38 0.12 0.00 0.00 0.00 0.00 53.44 52.20 1j2u n ALA 230 Cb 0.45 -1.04 0.30 0.00 0.00 0.00 0.00 19.45 19.16 1j2u n ALA 230 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1j2u h LYS 231 N 3.50 0.77 -0.34 0.00 3.64 -1.92 -0.91 116.57 121.31 1j2u h LYS 231 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1j2u h LYS 231 Cb 1.35 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1j2u h LYS 231 CO 0.23 0.51 0.00 0.25 -2.27 0.00 0.00 179.45 178.17 1j2u n THR 232 N -4.75 0.45 -1.86 1.00 -2.24 -1.26 -4.92 114.28 100.70 1j2u n THR 232 Ca 0.22 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 61.22 1j2u n THR 232 Cb 0.53 0.19 0.05 0.00 -2.10 0.00 0.00 70.33 69.00 1j2u n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j2u s ALA 233 N -1.58 2.44 0.12 6.98 0.00 -0.35 -5.04 121.76 124.34 1j2u s ALA 233 Ca 0.21 0.92 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1j2u s ALA 233 Cb 0.11 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.85 1j2u s ALA 233 CO 0.14 -1.33 0.51 -1.54 0.00 0.00 0.00 175.76 173.54 1j2u s SER 234 N -1.82 -0.41 0.17 0.00 1.04 -1.26 -4.93 113.70 106.49 1j2u s SER 234 Ca 0.75 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 57.00 1j2u s SER 234 Cb -0.29 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.42 1j2u s SER 234 CO 0.37 -0.86 1.70 -0.09 0.98 0.00 0.00 173.24 175.34 1j2u h ARG 235 N 2.34 0.90 -0.50 4.02 2.43 -1.86 -1.76 114.38 119.95 1j2u h ARG 235 Ca -0.33 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1j2u h ARG 235 Cb 1.26 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1j2u h ARG 235 CO 0.42 0.80 0.32 1.49 -1.51 0.00 0.00 179.97 181.49 1j2u h GLU 236 N 0.81 0.63 -0.61 0.20 4.81 -1.96 0.77 114.58 119.23 1j2u h GLU 236 Ca 0.19 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1j2u h GLU 236 Cb 0.28 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1j2u h GLU 236 CO -0.01 0.42 0.31 0.87 -0.73 0.00 0.00 179.01 179.87 1j2u h LYS 237 N 0.65 0.84 -0.61 1.92 1.57 -1.88 -1.90 116.57 117.16 1j2u h LYS 237 Ca 0.19 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1j2u h LYS 237 Cb -0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1j2u h LYS 237 CO -0.06 0.63 0.04 0.78 -0.57 0.00 0.00 179.45 180.28 1j2u h GLY 238 N 0.92 1.13 1.52 3.86 0.00 -0.29 -0.68 103.07 109.53 1j2u h GLY 238 Ca 0.21 -0.80 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 1j2u h GLY 238 CO -0.03 0.74 -0.22 0.83 0.00 0.00 0.00 176.54 177.85 1j2u h GLU 239 N 0.95 0.56 -0.03 4.80 5.08 -0.63 0.00 114.58 125.32 1j2u h GLU 239 Ca 0.18 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1j2u h GLU 239 Cb 0.50 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1j2u h GLU 239 CO 0.02 0.75 0.00 1.25 -1.00 0.00 0.00 179.01 180.03 1j2u h LEU 240 N 0.50 0.04 -0.51 1.33 5.85 -1.01 -2.39 115.31 119.13 1j2u h LEU 240 Ca 0.08 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1j2u h LEU 240 Cb 0.66 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1j2u h LEU 240 CO 0.05 0.32 0.29 0.40 -0.34 0.00 0.00 178.44 179.15 1j2u h ILE 241 N -0.23 1.01 -0.17 4.05 2.04 -0.89 -1.75 117.51 121.58 1j2u h ILE 241 Ca 0.01 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1j2u h ILE 241 Cb 0.29 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1j2u h ILE 241 CO 0.00 0.10 0.05 0.25 0.00 0.00 0.00 178.15 178.55 1j2u h LEU 242 N 0.57 0.05 -0.53 1.44 5.85 -0.94 -0.84 115.31 120.90 1j2u h LEU 242 Ca 0.22 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1j2u h LEU 242 Cb 0.07 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1j2u h LEU 242 CO -0.12 0.05 0.18 -0.08 -0.34 0.00 0.00 178.44 178.13 1j2u h GLU 243 N 0.12 0.82 -0.52 1.25 4.57 -1.24 -0.65 114.58 118.93 1j2u h GLU 243 Ca 0.07 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1j2u h GLU 243 Cb 0.05 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1j2u h GLU 243 CO -0.08 0.74 0.34 0.28 -1.18 0.00 0.00 179.01 179.12 1j2u h VAL 244 N 0.73 1.13 -0.05 0.32 2.07 -0.95 0.19 116.25 119.68 1j2u h VAL 244 Ca 0.17 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1j2u h VAL 244 Cb 0.26 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1j2u h VAL 244 CO -0.01 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1j2u h VAL 246 N -0.20 1.20 -0.20 0.00 2.07 -0.96 -0.08 116.25 118.09 1j2u h VAL 246 Ca 0.01 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1j2u h VAL 246 Cb 0.33 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1j2u h VAL 246 CO 0.00 0.23 0.09 -0.61 0.02 0.00 0.00 177.57 177.30 1j2u h GLN 247 N 0.59 0.28 -0.48 1.57 5.75 -0.62 -1.33 115.11 120.86 1j2u h GLN 247 Ca 0.15 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1j2u h GLN 247 Cb 0.18 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1j2u h GLN 247 CO -0.01 0.32 0.12 0.78 -2.65 0.00 0.00 178.83 177.39 1j2u h GLY 248 N 0.18 0.83 1.05 2.39 0.00 -1.11 -1.86 103.07 104.55 1j2u h GLY 248 Ca 0.07 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 1j2u h GLY 248 CO -0.01 0.48 -0.45 -2.22 0.00 0.00 0.00 176.54 174.34 1j2u h ILE 249 N 0.66 1.30 -0.35 2.60 2.04 -0.97 -0.85 117.51 121.93 1j2u h ILE 249 Ca 0.15 -1.65 0.04 0.00 1.00 0.00 0.00 64.86 64.40 1j2u h ILE 249 Cb 0.32 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1j2u h ILE 249 CO 0.00 0.53 0.12 0.00 0.00 0.00 0.00 178.15 178.80 1j2u h ALA 250 N 0.66 0.40 -0.16 1.87 0.00 -1.14 0.38 119.26 121.26 1j2u h ALA 250 Ca 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j2u h ALA 250 Cb 1.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1j2u h ALA 250 CO 0.10 -0.28 0.10 -0.44 0.00 0.00 0.00 179.25 178.73 1j2u h ASP 251 N 0.26 0.20 -0.63 0.00 3.32 -1.23 -0.38 116.42 117.96 1j2u h ASP 251 Ca 0.16 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1j2u h ASP 251 Cb 0.14 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1j2u h ASP 251 CO -0.17 0.20 0.31 0.00 -1.72 0.00 0.00 179.24 177.86 1j2u h ALA 252 N 1.01 0.83 -0.36 3.45 0.00 -0.77 -1.50 119.26 121.93 1j2u h ALA 252 Ca 0.06 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1j2u h ALA 252 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1j2u h ALA 252 CO -0.01 -0.06 -0.33 0.82 0.00 0.00 0.00 179.25 179.67 1j2u h ILE 253 N 0.57 1.28 -0.75 0.00 1.08 -0.68 -1.52 117.51 117.49 1j2u h ILE 253 Ca 0.29 -1.49 0.01 0.00 -0.39 0.00 0.00 64.86 63.28 1j2u h ILE 253 Cb 0.26 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.32 1j2u h ILE 253 CO -0.22 0.49 0.50 0.03 -0.69 0.00 0.00 178.15 178.26 1j2u h ARG 254 N 0.69 0.98 -0.19 2.37 3.08 -0.62 0.44 114.38 121.14 1j2u h ARG 254 Ca 0.07 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1j2u h ARG 254 Cb 0.89 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1j2u h ARG 254 CO 0.08 0.65 -0.09 1.49 -1.07 0.00 0.00 179.97 181.03 1j2u h GLU 255 N 1.01 0.39 0.02 0.04 4.81 -1.03 -2.90 114.58 116.93 1j2u h GLU 255 Ca 0.27 -0.17 -0.23 0.00 -0.13 0.00 0.00 59.36 59.10 1j2u h GLU 255 Cb -0.11 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1j2u h GLU 255 CO -0.06 0.69 -1.13 0.93 -0.73 0.00 0.00 179.01 178.71 1j2u h GLU 256 N 0.08 0.05 -2.14 1.92 4.39 -1.00 -3.38 114.58 114.50 1j2u h GLU 256 Ca 0.04 -0.08 -0.59 0.00 0.34 0.00 0.00 59.36 59.07 1j2u h GLU 256 Cb 0.57 0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 28.84 1j2u h GLU 256 CO 0.03 0.98 -0.75 1.19 -1.16 0.00 0.00 179.01 179.30 1j2u n PHE 257 N -3.35 2.53 -2.21 4.33 3.72 0.15 -5.09 117.46 117.55 1j2u n PHE 257 Ca -0.04 -3.98 -0.36 0.00 -0.05 0.00 0.00 57.45 53.02 1j2u n PHE 257 Cb 0.97 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1j2u n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j2u s PRO 258 N -2.21 3.41 0.00 -1.08 0.04 -1.09 -4.60 135.00 129.47 1j2u s PRO 258 Ca 0.39 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1j2u s PRO 258 Cb 0.17 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1j2u s PRO 258 CO -0.05 -0.83 0.23 -2.30 0.04 0.00 0.00 177.00 174.10