#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 -1.71 -0.97 3.14 2.88 -1.26 -4.91 113.62 110.79 1j2u n SER 4 Ca 0.00 0.68 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 1j2u n SER 4 Cb 0.00 -0.67 0.15 0.00 -0.75 0.00 0.00 64.21 62.95 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 -0.49 0.11 -3.36 2.46 0.24 -1.26 -4.92 118.33 111.09 1j2u n VAL 5 Ca 0.10 -0.53 -0.40 0.00 -2.04 0.00 0.00 64.34 61.47 1j2u n VAL 5 Cb 0.26 1.32 -0.09 0.00 -1.47 0.00 0.00 33.84 33.86 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 -1.89 3.24 0.31 6.34 0.40 -1.26 -0.05 117.98 125.06 1j2u s PHE 6 Ca 0.31 0.36 0.07 0.00 -0.60 0.00 0.00 56.93 57.07 1j2u s PHE 6 Cb 0.21 -2.63 0.77 0.00 0.51 0.00 0.00 43.02 41.87 1j2u s PHE 6 CO 0.31 -0.28 1.77 0.28 0.70 0.00 0.00 175.22 177.99 1j2u h VAL 7 N 5.43 0.68 0.00 -0.44 2.07 -1.40 0.90 116.25 123.49 1j2u h VAL 7 Ca -0.31 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1j2u h VAL 7 Cb 1.15 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1j2u h VAL 7 CO 0.67 0.13 -0.03 1.23 0.02 0.00 0.00 177.57 179.60 1j2u h GLY 8 N 0.74 0.00 -0.67 2.17 0.00 -1.94 -1.78 103.07 101.59 1j2u h GLY 8 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1j2u h GLY 8 CO -0.39 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.33 1j2u n GLU 9 N -4.34 1.76 -3.88 4.80 1.02 0.30 -4.91 120.64 115.38 1j2u n GLU 9 Ca -0.03 -1.10 -0.23 0.00 -0.02 0.00 0.00 57.16 55.79 1j2u n GLU 9 Cb 0.11 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.00 4.29 0.62 -4.62 1.43 -0.67 -4.96 118.68 112.77 1j2u s LEU 10 Ca 0.37 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.53 1j2u s LEU 10 Cb 0.21 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1j2u s LEU 10 CO 0.33 -0.07 0.97 0.42 0.23 0.00 0.00 176.35 178.24 1j2u s THR 11 N -1.96 3.82 0.40 5.49 -4.23 -1.26 -4.91 115.64 113.00 1j2u s THR 11 Ca 0.35 0.28 0.15 0.00 -1.18 0.00 0.00 61.69 61.30 1j2u s THR 11 Cb -0.10 -3.54 0.16 0.00 1.34 0.00 0.00 72.50 70.36 1j2u s THR 11 CO 0.30 -0.63 1.92 4.11 -0.54 0.00 0.00 174.62 179.78 1j2u h TRP 12 N -0.32 0.00 -0.32 3.99 5.08 -1.99 -1.14 115.95 121.25 1j2u h TRP 12 Ca -0.45 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.45 1j2u h TRP 12 Cb 1.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 1j2u h TRP 12 CO 0.51 0.26 -0.06 0.87 -1.28 0.00 0.00 178.44 178.74 1j2u h LYS 13 N 0.00 0.61 -0.51 0.12 1.79 -1.98 0.15 116.57 116.75 1j2u h LYS 13 Ca -0.00 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 1j2u h LYS 13 Cb 0.48 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1j2u h LYS 13 CO 0.03 0.78 0.24 0.93 -1.08 0.00 0.00 179.45 180.35 1j2u h GLU 14 N 0.39 0.74 -0.19 3.15 5.08 -1.80 -0.46 114.58 121.49 1j2u h GLU 14 Ca 0.08 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1j2u h GLU 14 Cb 0.55 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1j2u h GLU 14 CO 0.03 0.62 0.06 -0.92 -1.00 0.00 0.00 179.01 177.80 1j2u h TYR 15 N 0.68 0.31 -0.90 4.33 3.20 -1.13 -2.39 116.97 121.07 1j2u h TYR 15 Ca 0.17 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.08 1j2u h TYR 15 Cb 0.13 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 1j2u h TYR 15 CO -0.00 0.40 0.56 1.49 -1.64 0.00 0.00 178.16 178.96 1j2u h GLU 16 N 0.14 0.96 -0.65 1.82 4.81 -0.43 -1.25 114.58 119.98 1j2u h GLU 16 Ca 0.06 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1j2u h GLU 16 Cb 0.23 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1j2u h GLU 16 CO -0.00 0.64 0.28 0.00 -0.73 0.00 0.00 179.01 179.20 1j2u h ALA 17 N 1.44 0.85 -0.51 2.92 0.00 -0.95 -0.01 119.26 123.00 1j2u h ALA 17 Ca 0.40 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1j2u h ALA 17 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1j2u h ALA 17 CO -0.19 0.44 -0.18 0.00 0.00 0.00 0.00 179.25 179.32 1j2u h ARG 18 N 0.91 1.01 -0.34 0.00 2.47 -0.82 -2.20 114.38 115.41 1j2u h ARG 18 Ca 0.22 -0.41 -0.12 0.00 -1.26 0.00 0.00 59.98 58.40 1j2u h ARG 18 Cb 0.17 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1j2u h ARG 18 CO -0.02 1.09 -0.30 0.28 0.56 0.00 0.00 179.97 181.59 1j2u h VAL 19 N 0.88 1.28 0.00 2.04 2.07 -1.13 -2.85 116.25 118.54 1j2u h VAL 19 Ca 0.12 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1j2u h VAL 19 Cb 0.76 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1j2u h VAL 19 CO 0.06 0.47 -0.01 0.00 0.02 0.00 0.00 177.57 178.11 1j2u h ALA 20 N 1.06 1.58 -0.01 1.67 0.00 -0.59 -2.38 119.26 120.60 1j2u h ALA 20 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j2u h ALA 20 Cb 0.81 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1j2u h ALA 20 CO 0.07 0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.34 1j2u h ALA 21 N 1.99 1.54 0.00 0.00 0.00 -1.16 -3.47 119.26 118.17 1j2u h ALA 21 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j2u h ALA 21 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j2u h ALA 21 CO 0.00 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1j2u n GLY 22 N -1.33 2.62 1.21 0.00 0.00 -0.90 -4.89 105.19 101.92 1j2u n GLY 22 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 1.23 -4.72 1.61 3.85 -1.26 -5.04 116.55 112.22 1j2u n ASP 23 Ca 0.00 -2.61 -0.42 0.00 -0.71 0.00 0.00 54.79 51.05 1j2u n ASP 23 Cb 0.00 -0.37 -0.03 0.00 -1.35 0.00 0.00 41.12 39.37 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 1.08 4.81 0.04 0.00 1.01 -1.26 -4.25 120.40 121.83 1j2u s VAL 25 Ca 0.64 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1j2u s VAL 25 Cb -0.36 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1j2u s VAL 25 CO 0.30 0.44 0.00 -0.76 0.00 0.00 0.00 175.10 175.08 1j2u s LEU 26 N 0.51 3.49 -0.02 3.92 1.43 -0.61 -1.39 118.68 126.02 1j2u s LEU 26 Ca 0.04 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1j2u s LEU 26 Cb -0.13 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1j2u s LEU 26 CO 0.01 0.23 -0.13 -0.04 0.23 0.00 0.00 176.35 176.65 1j2u s MET 27 N -1.90 1.22 -0.21 1.70 -1.94 0.34 -0.11 119.30 118.40 1j2u s MET 27 Ca 0.22 -0.47 -0.01 0.00 -1.71 0.00 0.00 55.69 53.73 1j2u s MET 27 Cb -0.12 -1.13 0.06 0.00 2.01 0.00 0.00 34.83 35.65 1j2u s MET 27 CO 0.14 0.23 -0.03 -1.17 -0.01 0.00 0.00 175.02 174.19 1j2u s LEU 28 N -0.10 1.98 0.10 -0.03 2.96 0.77 -0.31 118.68 124.05 1j2u s LEU 28 Ca 0.01 -0.97 -0.30 0.00 -0.22 0.00 0.00 54.13 52.64 1j2u s LEU 28 Cb -0.08 -0.96 -0.06 0.00 0.50 0.00 0.00 46.19 45.60 1j2u s LEU 28 CO 0.00 -0.25 1.16 -2.84 -1.32 0.00 0.00 176.35 173.11 1j2u s PRO 29 N 1.58 4.48 -0.26 0.98 0.02 -1.26 -0.87 135.00 139.67 1j2u s PRO 29 Ca -0.03 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.76 1j2u s PRO 29 Cb -0.18 -3.32 0.07 0.00 0.02 0.00 0.00 34.50 31.09 1j2u s PRO 29 CO -0.07 -0.15 -0.06 0.08 -0.33 0.00 0.00 177.00 176.47 1j2u s VAL 30 N 0.62 1.94 0.00 3.83 1.01 -0.36 -0.92 120.40 126.53 1j2u s VAL 30 Ca 0.55 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1j2u s VAL 30 Cb -0.29 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1j2u s VAL 30 CO 0.31 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1j2u n GLY 31 N 4.49 4.42 3.59 4.51 0.00 0.14 -1.13 105.19 121.21 1j2u n GLY 31 Ca -0.11 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.23 -2.03 -0.33 4.61 0.00 -1.22 -3.08 121.76 117.47 1j2u s ALA 32 Ca 0.00 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.20 1j2u s ALA 32 Cb 0.00 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.26 1j2u s ALA 32 CO 0.00 -0.70 0.08 -1.17 0.00 0.00 0.00 175.76 173.96 1j2u s LEU 33 N -2.39 4.27 -0.14 0.00 2.96 -1.11 -4.18 118.68 118.08 1j2u s LEU 33 Ca 0.09 -1.30 -0.13 0.00 -0.22 0.00 0.00 54.13 52.58 1j2u s LEU 33 Cb -0.00 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.92 1j2u s LEU 33 CO -0.05 -0.33 0.38 -0.70 -1.32 0.00 0.00 176.35 174.33 1j2u s GLU 34 N 1.31 0.43 0.29 1.98 2.12 -0.60 -1.22 118.70 123.02 1j2u s GLU 34 Ca -0.02 0.54 -0.29 0.00 0.36 0.00 0.00 54.97 55.56 1j2u s GLU 34 Cb -0.20 0.19 -0.13 0.00 0.26 0.00 0.00 34.13 34.25 1j2u s GLU 34 CO 0.00 -0.06 1.25 0.00 -0.54 0.00 0.00 175.26 175.92 1j2u n GLN 35 N 3.00 1.86 -2.60 4.30 -0.00 -1.26 -4.38 117.38 118.31 1j2u n GLN 35 Ca -0.14 0.66 -0.14 0.00 -0.00 0.00 0.00 57.00 57.37 1j2u n GLN 35 Cb 0.57 -2.21 0.02 0.00 -0.00 0.00 0.00 30.24 28.63 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 0.86 1.89 -4.02 2.61 8.25 -1.26 -4.99 115.22 118.55 1j2u n HIS 36 Ca 0.09 -2.81 0.00 0.00 -0.26 0.00 0.00 57.72 54.73 1j2u n HIS 36 Cb 0.33 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.25 -2.04 0.14 -1.41 0.00 -1.25 -3.77 105.19 96.62 1j2u n GLY 37 Ca 0.19 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.02 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 -0.12 -2.39 0.86 0.00 0.00 177.93 176.28 1j2u n HIS 39 N -2.62 0.00 -4.00 2.45 1.44 -1.26 -4.86 115.22 106.37 1j2u n HIS 39 Ca 0.03 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.66 1j2u n HIS 39 Cb 0.49 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.50 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 -1.63 0.53 1.00 -1.40 0.00 -1.25 -1.22 119.30 115.33 1j2u s MET 40 Ca 0.18 -0.91 -0.16 0.00 0.00 0.00 0.00 55.69 54.80 1j2u s MET 40 Cb 0.14 0.19 0.20 0.00 0.00 0.00 0.00 34.83 35.36 1j2u s MET 40 CO 0.29 -0.11 1.24 0.00 0.00 0.00 0.00 175.02 176.44 1j2u n MET 42 N -3.95 0.41 -0.44 0.00 0.00 -1.26 -4.14 117.12 107.74 1j2u n MET 42 Ca 0.13 -0.29 0.08 0.00 0.00 0.00 0.00 57.70 57.62 1j2u n MET 42 Cb 0.60 -1.49 0.28 0.00 0.00 0.00 0.00 33.22 32.60 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 -1.04 3.65 -0.27 7.83 2.04 -1.26 -1.55 115.26 124.67 1j2u n ASN 43 Ca 0.08 -2.26 0.06 0.00 -0.44 0.00 0.00 54.58 52.02 1j2u n ASN 43 Cb 0.36 -0.48 0.17 0.00 -2.53 0.00 0.00 39.78 37.30 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 3.27 0.33 0.00 3.53 2.07 -1.84 -0.66 116.25 122.94 1j2u h VAL 44 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1j2u h VAL 44 Cb 1.09 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1j2u h VAL 44 CO 0.14 0.02 0.00 0.47 0.02 0.00 0.00 177.57 178.22 1j2u n ASP 45 N -5.34 0.50 -0.10 0.57 8.00 -1.26 -1.22 116.55 117.70 1j2u n ASP 45 Ca 0.15 0.63 -0.18 0.00 0.71 0.00 0.00 54.79 56.10 1j2u n ASP 45 Cb 0.50 -0.73 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 1j2u n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1j2u n VAL 46 N -2.06 1.51 -0.15 2.53 0.31 -0.37 -4.06 118.33 116.04 1j2u n VAL 46 Ca 0.02 0.02 -0.03 0.00 -0.01 0.00 0.00 64.34 64.35 1j2u n VAL 46 Cb 0.20 -2.12 0.06 0.00 -0.91 0.00 0.00 33.84 31.07 1j2u n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1j2u h LEU 47 N -1.00 -0.10 0.34 7.52 3.38 -0.77 -2.22 115.31 122.45 1j2u h LEU 47 Ca -0.28 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1j2u h LEU 47 Cb 1.13 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1j2u h LEU 47 CO -0.17 -0.02 -0.16 -0.07 0.09 0.00 0.00 178.44 178.11 1j2u h LEU 48 N 0.17 -0.39 -1.79 1.67 3.38 -1.40 -0.49 115.31 116.46 1j2u h LEU 48 Ca 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1j2u h LEU 48 Cb 0.34 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1j2u h LEU 48 CO -0.36 -0.04 -0.13 1.55 0.09 0.00 0.00 178.44 179.55 1j2u h PRO 49 N -0.76 0.00 -0.34 1.13 0.13 -1.75 -1.57 132.00 128.83 1j2u h PRO 49 Ca -0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1j2u h PRO 49 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1j2u h PRO 49 CO 0.08 0.13 -0.22 1.15 -0.23 0.00 0.00 178.00 178.90 1j2u h THR 50 N 0.00 1.29 -0.63 1.56 2.02 -1.17 0.89 112.91 116.87 1j2u h THR 50 Ca -0.00 -1.37 -0.04 0.00 0.77 0.00 0.00 66.41 65.77 1j2u h THR 50 Cb 0.24 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1j2u h THR 50 CO 0.02 0.45 0.24 0.00 0.37 0.00 0.00 175.52 176.60 1j2u h ALA 51 N 0.77 0.82 -0.32 6.16 0.00 -0.65 0.15 119.26 126.19 1j2u h ALA 51 Ca 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1j2u h ALA 51 Cb 0.78 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1j2u h ALA 51 CO 0.06 0.45 -0.06 0.28 0.00 0.00 0.00 179.25 179.98 1j2u h VAL 52 N 0.89 1.28 -0.60 0.00 2.07 -1.18 -2.40 116.25 116.31 1j2u h VAL 52 Ca 0.21 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.69 1j2u h VAL 52 Cb 0.22 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1j2u h VAL 52 CO -0.02 0.35 0.31 0.00 0.02 0.00 0.00 177.57 178.24 1j2u h LYS 54 N 0.59 0.25 -0.42 0.00 3.64 -0.80 0.21 116.57 120.05 1j2u h LYS 54 Ca 0.27 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.50 1j2u h LYS 54 Cb 0.18 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1j2u h LYS 54 CO -0.18 0.16 -0.24 0.00 -2.27 0.00 0.00 179.45 176.92 1j2u h ARG 55 N 0.25 0.91 -0.44 1.90 3.08 -1.21 -1.23 114.38 117.65 1j2u h ARG 55 Ca 0.15 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1j2u h ARG 55 Cb 0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1j2u h ARG 55 CO -0.16 1.07 0.16 0.28 -1.07 0.00 0.00 179.97 180.24 1j2u h VAL 56 N 0.73 1.21 -0.51 2.04 2.07 -0.70 -2.47 116.25 118.62 1j2u h VAL 56 Ca 0.09 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1j2u h VAL 56 Cb 0.82 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1j2u h VAL 56 CO 0.07 0.24 0.23 0.00 0.02 0.00 0.00 177.57 178.14 1j2u h ALA 57 N 1.00 0.66 -0.73 1.67 0.00 -0.38 -0.85 119.26 120.64 1j2u h ALA 57 Ca 0.14 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1j2u h ALA 57 Cb 0.23 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1j2u h ALA 57 CO -0.01 0.23 0.39 0.93 0.00 0.00 0.00 179.25 180.79 1j2u h GLU 58 N 0.68 0.66 -0.11 0.00 5.08 -1.11 0.24 114.58 120.02 1j2u h GLU 58 Ca 0.17 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 1j2u h GLU 58 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1j2u h GLU 58 CO -0.02 0.43 -0.67 0.00 -1.00 0.00 0.00 179.01 177.76 1j2u h ARG 59 N 0.68 0.44 -0.01 2.33 3.08 -0.92 -3.32 114.38 116.66 1j2u h ARG 59 Ca 0.35 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1j2u h ARG 59 Cb 0.32 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1j2u h ARG 59 CO -0.24 0.96 -0.15 0.44 -1.07 0.00 0.00 179.97 179.90 1j2u n ILE 60 N -3.88 0.00 -2.70 2.04 -5.35 -0.38 -5.00 119.36 104.10 1j2u n ILE 60 Ca -0.04 -0.42 -0.05 0.00 -0.27 0.00 0.00 62.75 61.97 1j2u n ILE 60 Cb 0.67 1.25 0.01 0.00 -1.74 0.00 0.00 39.64 39.83 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 0.98 0.66 3.95 3.28 0.00 0.79 -5.05 105.19 109.81 1j2u n GLY 61 Ca 0.07 -0.51 -0.20 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 -3.04 4.40 0.09 4.61 0.00 -0.92 -4.71 121.76 122.20 1j2u s ALA 62 Ca 0.11 -1.80 0.10 0.00 0.00 0.00 0.00 51.96 50.38 1j2u s ALA 62 Cb -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1j2u s ALA 62 CO 0.14 -0.42 -0.27 -0.51 0.00 0.00 0.00 175.76 174.70 1j2u s LEU 63 N -4.34 2.25 -0.17 0.00 1.43 -0.48 -4.69 118.68 112.68 1j2u s LEU 63 Ca 0.51 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1j2u s LEU 63 Cb -0.06 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1j2u s LEU 63 CO 0.31 0.21 -0.10 -0.69 0.23 0.00 0.00 176.35 176.31 1j2u s VAL 64 N -0.95 3.08 0.55 -1.59 1.01 0.93 -0.50 120.40 122.93 1j2u s VAL 64 Ca 0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1j2u s VAL 64 Cb -0.10 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1j2u s VAL 64 CO 0.04 0.49 0.96 -0.04 0.00 0.00 0.00 175.10 176.55 1j2u s MET 65 N 0.88 3.71 0.24 2.72 -1.94 0.58 -0.94 119.30 124.55 1j2u s MET 65 Ca -0.03 0.70 -0.31 0.00 -1.71 0.00 0.00 55.69 54.35 1j2u s MET 65 Cb -0.15 -2.17 -0.14 0.00 2.01 0.00 0.00 34.83 34.38 1j2u s MET 65 CO 0.00 -0.38 1.27 -2.30 -0.01 0.00 0.00 175.02 173.60 1j2u n PRO 66 N -2.20 1.72 -2.47 2.03 -0.02 -1.26 -4.50 135.00 128.30 1j2u n PRO 66 Ca 0.05 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1j2u n PRO 66 Cb 0.54 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.02 2.23 -0.17 -1.23 0.00 -1.26 -4.71 107.32 102.20 1j2u s GLY 67 Ca 0.66 0.35 -0.29 0.00 0.00 0.00 0.00 44.72 45.44 1j2u s GLY 67 CO 0.53 0.64 1.21 1.08 0.00 0.00 0.00 173.10 176.56 1j2u s LEU 68 N -3.82 4.17 0.15 0.66 1.43 -0.09 -4.93 118.68 116.26 1j2u s LEU 68 Ca 0.62 1.63 0.17 0.00 -1.03 0.00 0.00 54.13 55.52 1j2u s LEU 68 Cb -0.12 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1j2u s LEU 68 CO 0.26 -0.73 1.05 1.56 0.23 0.00 0.00 176.35 178.71 1j2u h GLN 69 N 8.01 0.00 -5.65 1.70 1.08 -1.89 0.43 115.11 118.80 1j2u h GLN 69 Ca -0.25 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.30 1j2u h GLN 69 Cb 1.10 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.21 1j2u h GLN 69 CO 0.97 0.29 -0.87 0.71 -0.95 0.00 0.00 178.83 178.98 1j2u s TYR 70 N -3.01 2.24 0.09 2.96 1.51 -1.26 -2.74 117.35 117.14 1j2u s TYR 70 Ca -0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.34 1j2u s TYR 70 Cb 0.08 -1.49 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1j2u s TYR 70 CO 0.79 -0.25 0.01 0.41 -1.11 0.00 0.00 175.55 175.40 1j2u n GLY 71 N 3.14 4.03 3.76 0.71 0.00 -1.18 -4.73 105.19 110.94 1j2u n GLY 71 Ca -0.18 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.51 2.52 0.04 1.61 5.04 -1.26 -1.12 117.35 122.66 1j2u s TYR 72 Ca 0.01 1.57 -0.37 0.00 -2.44 0.00 0.00 57.07 55.84 1j2u s TYR 72 Cb 0.00 -3.14 -0.17 0.00 0.35 0.00 0.00 41.96 39.00 1j2u s TYR 72 CO 0.01 -1.85 1.36 1.63 -1.34 0.00 0.00 175.55 175.36 1j2u n LYS 73 N -3.03 1.05 -1.86 4.97 5.02 -1.24 -4.77 118.16 118.29 1j2u n LYS 73 Ca 0.10 0.38 -0.41 0.00 -2.02 0.00 0.00 58.31 56.36 1j2u n LYS 73 Cb 0.52 -2.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 1j2u n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j2u s SER 74 N 0.75 6.45 -0.03 4.39 0.15 -1.26 -4.88 113.70 119.26 1j2u s SER 74 Ca 0.86 2.90 0.02 0.00 0.70 0.00 0.00 55.95 60.43 1j2u s SER 74 Cb -1.00 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 60.64 1j2u s SER 74 CO 0.50 -0.83 -0.06 -1.10 1.20 0.00 0.00 173.24 172.94 1j2u s GLN 75 N -0.95 2.66 0.22 5.44 -1.52 -1.26 -2.08 119.66 122.17 1j2u s GLN 75 Ca 0.59 -0.63 -0.09 0.00 -1.95 0.00 0.00 55.36 53.28 1j2u s GLN 75 Cb -0.46 -2.55 0.35 0.00 -0.22 0.00 0.00 33.01 30.13 1j2u s GLN 75 CO 0.51 0.63 1.67 0.37 -0.25 0.00 0.00 175.29 178.23 1j2u h GLN 76 N 4.86 0.17 0.00 2.91 4.15 -1.91 0.17 115.11 125.46 1j2u h GLN 76 Ca -0.49 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1j2u h GLN 76 Cb 1.17 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1j2u h GLN 76 CO 0.53 0.11 0.00 1.63 -1.93 0.00 0.00 178.83 179.17 1j2u n LYS 77 N -5.23 0.03 0.00 1.69 5.02 -1.26 -2.04 118.16 116.37 1j2u n LYS 77 Ca 0.11 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1j2u n LYS 77 Cb 0.39 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.59 0.63 0.00 4.39 3.41 -0.69 -4.24 113.62 115.53 1j2u n SER 78 Ca 0.05 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1j2u n SER 78 Cb 0.24 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.79 0.02 1.09 5.00 0.00 0.51 -4.64 105.19 107.96 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 2.73 0.00 -0.02 0.00 -0.86 -4.82 105.19 102.21 1j2u n GLY 80 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 3.71 0.00 -0.02 0.00 -1.24 -4.41 105.19 103.23 1j2u n GLY 81 Ca 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -0.02 1.61 2.85 -0.88 -3.37 115.26 115.44 1j2u n ASN 82 Ca 0.00 -1.72 0.13 0.00 -0.11 0.00 0.00 54.58 52.88 1j2u n ASN 82 Cb 0.00 0.00 0.42 0.00 1.24 0.00 0.00 39.78 41.44 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 -0.60 0.00 -2.39 1.20 1.44 -1.26 -4.90 115.22 108.71 1j2u n HIS 83 Ca 0.04 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.40 1j2u n HIS 83 Cb 0.02 -0.33 -0.02 0.00 0.12 0.00 0.00 29.99 29.79 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 -2.93 2.90 0.80 -1.40 0.40 -1.22 -5.02 117.98 111.52 1j2u s PHE 84 Ca 0.14 1.57 -0.12 0.00 -0.60 0.00 0.00 56.93 57.92 1j2u s PHE 84 Cb 0.18 -3.21 0.08 0.00 0.51 0.00 0.00 43.02 40.58 1j2u s PHE 84 CO 0.61 -1.18 1.14 -2.14 0.70 0.00 0.00 175.22 174.35 1j2u s PRO 85 N -3.04 1.86 0.00 0.24 0.02 -1.26 -3.81 135.00 129.01 1j2u s PRO 85 Ca 0.67 1.46 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1j2u s PRO 85 Cb -0.22 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1j2u s PRO 85 CO 0.26 -1.99 0.00 0.41 -0.33 0.00 0.00 177.00 175.35 1j2u n GLY 86 N -0.27 1.84 3.67 0.52 0.00 -1.26 -4.63 105.19 105.06 1j2u n GLY 86 Ca 0.11 -0.19 -0.50 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.85 2.61 -1.04 -1.25 -4.68 114.28 106.34 1j2u n THR 87 Ca 0.00 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.66 1j2u n THR 87 Cb 0.00 -1.47 -0.15 0.00 -1.82 0.00 0.00 70.33 66.89 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 2.49 1.26 0.13 12.58 2.01 -0.36 -4.97 115.64 128.79 1j2u s THR 88 Ca 0.89 -1.32 0.09 0.00 0.31 0.00 0.00 61.69 61.66 1j2u s THR 88 Cb -0.81 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1j2u s THR 88 CO 0.50 -0.36 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.44 1j2u s SER 89 N 1.47 3.85 0.34 3.53 0.01 -1.26 -4.38 113.70 117.26 1j2u s SER 89 Ca 0.02 -0.61 -0.06 0.00 1.31 0.00 0.00 55.95 56.61 1j2u s SER 89 Cb -0.18 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 1j2u s SER 89 CO -0.13 0.16 0.63 -0.76 0.41 0.00 0.00 173.24 173.56 1j2u s LEU 90 N -2.28 3.95 0.64 2.44 1.43 -0.27 -4.87 118.68 119.71 1j2u s LEU 90 Ca 0.19 0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 53.95 1j2u s LEU 90 Cb -0.10 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1j2u s LEU 90 CO 0.10 -0.30 1.10 -1.81 0.23 0.00 0.00 176.35 175.68 1j2u s ASP 91 N -3.34 5.28 0.23 2.29 -0.00 -1.26 -3.73 116.67 116.14 1j2u s ASP 91 Ca 0.46 1.98 -0.06 0.00 -0.00 0.00 0.00 52.55 54.92 1j2u s ASP 91 Cb -0.10 -2.55 0.36 0.00 -0.00 0.00 0.00 42.92 40.63 1j2u s ASP 91 CO 0.32 -1.51 1.77 1.23 -0.00 0.00 0.00 175.17 176.98 1j2u h GLY 92 N 0.19 1.10 1.34 0.21 0.00 -1.98 -1.97 103.07 101.96 1j2u h GLY 92 Ca -0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1j2u h GLY 92 CO 0.55 0.04 0.23 0.00 0.00 0.00 0.00 176.54 177.35 1j2u h ALA 93 N 1.45 1.31 -0.11 3.60 0.00 -1.98 -0.07 119.26 123.46 1j2u h ALA 93 Ca 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1j2u h ALA 93 Cb 0.42 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j2u h ALA 93 CO -0.29 0.51 0.00 1.15 0.00 0.00 0.00 179.25 180.62 1j2u h THR 94 N 0.83 1.25 -0.14 0.00 2.02 -1.75 -0.14 112.91 114.98 1j2u h THR 94 Ca 0.20 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1j2u h THR 94 Cb 0.17 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1j2u h THR 94 CO -0.02 0.23 0.06 0.25 0.37 0.00 0.00 175.52 176.40 1j2u h LEU 95 N -0.07 0.18 -0.47 2.58 5.85 -1.20 -1.60 115.31 120.59 1j2u h LEU 95 Ca 0.03 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1j2u h LEU 95 Cb 0.34 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1j2u h LEU 95 CO 0.01 0.29 0.18 0.74 -0.34 0.00 0.00 178.44 179.31 1j2u h THR 96 N 0.07 0.86 -0.58 1.05 2.02 -1.00 -2.17 112.91 113.16 1j2u h THR 96 Ca 0.05 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1j2u h THR 96 Cb 0.16 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1j2u h THR 96 CO -0.00 0.06 0.22 1.23 0.37 0.00 0.00 175.52 177.40 1j2u h GLY 97 N 0.35 0.90 0.88 2.16 0.00 -0.84 -1.26 103.07 105.27 1j2u h GLY 97 Ca 0.22 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1j2u h GLY 97 CO -0.22 0.44 0.08 -0.84 0.00 0.00 0.00 176.54 175.99 1j2u h THR 98 N 0.83 1.18 -0.49 4.70 2.02 -0.69 -0.43 112.91 120.04 1j2u h THR 98 Ca 0.20 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1j2u h THR 98 Cb 0.17 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1j2u h THR 98 CO -0.02 0.18 0.25 0.58 0.37 0.00 0.00 175.52 176.89 1j2u h VAL 99 N 0.19 1.18 -0.47 3.16 2.07 -1.26 -1.95 116.25 119.17 1j2u h VAL 99 Ca 0.07 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1j2u h VAL 99 Cb 0.21 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1j2u h VAL 99 CO -0.00 0.19 0.29 -0.61 0.02 0.00 0.00 177.57 177.46 1j2u h GLN 100 N 0.64 0.57 -0.53 1.57 4.15 -1.04 -1.78 115.11 118.70 1j2u h GLN 100 Ca 0.17 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1j2u h GLN 100 Cb 0.08 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1j2u h GLN 100 CO -0.02 0.38 0.10 -0.44 -1.93 0.00 0.00 178.83 176.92 1j2u h ASP 101 N 0.59 0.83 -0.36 -0.69 3.32 -0.92 -1.78 116.42 117.41 1j2u h ASP 101 Ca 0.18 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1j2u h ASP 101 Cb -0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1j2u h ASP 101 CO -0.07 0.87 0.17 0.40 -1.72 0.00 0.00 179.24 178.88 1j2u h ILE 102 N 0.76 1.17 -0.58 0.35 2.04 -1.14 -2.08 117.51 118.03 1j2u h ILE 102 Ca 0.16 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1j2u h ILE 102 Cb 0.38 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1j2u h ILE 102 CO 0.01 0.18 0.39 0.40 0.00 0.00 0.00 178.15 179.12 1j2u h ILE 103 N 0.44 1.15 -0.60 -0.67 2.04 -1.17 -1.06 117.51 117.64 1j2u h ILE 103 Ca 0.12 -0.27 0.09 0.00 1.00 0.00 0.00 64.86 65.80 1j2u h ILE 103 Cb 0.13 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.43 1j2u h ILE 103 CO -0.01 0.14 0.23 -0.09 0.00 0.00 0.00 178.15 178.42 1j2u h ARG 104 N 0.79 0.40 -0.29 2.37 2.43 -1.07 -0.79 114.38 118.22 1j2u h ARG 104 Ca 0.21 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 1j2u h ARG 104 Cb -0.09 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1j2u h ARG 104 CO -0.05 0.26 -0.33 0.93 -1.51 0.00 0.00 179.97 179.28 1j2u h GLU 105 N 0.41 0.74 -0.88 0.20 4.39 -0.91 -0.93 114.58 117.60 1j2u h GLU 105 Ca 0.30 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1j2u h GLU 105 Cb 0.36 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1j2u h GLU 105 CO -0.30 1.03 0.51 -0.07 -1.16 0.00 0.00 179.01 179.02 1j2u h LEU 106 N 0.48 1.06 -0.65 1.33 3.38 -0.86 -0.91 115.31 119.14 1j2u h LEU 106 Ca 0.04 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1j2u h LEU 106 Cb 0.91 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1j2u h LEU 106 CO 0.08 0.83 0.07 0.00 0.09 0.00 0.00 178.44 179.50 1j2u h ALA 107 N 1.35 0.87 -0.99 1.53 0.00 -0.93 -1.52 119.26 119.58 1j2u h ALA 107 Ca 0.31 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1j2u h ALA 107 Cb -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.45 1j2u h ALA 107 CO -0.06 0.67 0.63 -0.09 0.00 0.00 0.00 179.25 180.41 1j2u h ARG 108 N 1.03 1.10 0.00 0.00 2.43 -0.10 -0.79 114.38 118.04 1j2u h ARG 108 Ca 0.19 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1j2u h ARG 108 Cb 0.49 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1j2u h ARG 108 CO 0.02 0.73 -0.03 0.45 -1.51 0.00 0.00 179.97 179.63 1j2u h HIS 109 N 1.13 0.00 0.00 2.20 3.86 -0.62 -3.46 115.15 118.27 1j2u h HIS 109 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 1j2u h HIS 109 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1j2u h HIS 109 CO -0.01 0.03 0.00 0.41 0.86 0.00 0.00 177.93 179.22 1j2u n GLY 110 N -1.18 0.67 3.77 2.45 0.00 -0.30 -4.98 105.19 105.62 1j2u n GLY 110 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 2.98 0.00 4.61 0.00 -0.63 -4.94 121.76 121.78 1j2u s ALA 111 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1j2u s ALA 111 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1j2u s ALA 111 CO 0.00 -0.74 0.39 0.54 0.00 0.00 0.00 175.76 175.95 1j2u n ARG 112 N -0.48 0.20 -3.75 0.00 5.12 -1.26 -4.17 116.66 112.32 1j2u n ARG 112 Ca 0.07 -0.43 -0.23 0.00 -1.93 0.00 0.00 57.85 55.33 1j2u n ARG 112 Cb 0.47 -0.56 -0.17 0.00 -1.16 0.00 0.00 32.46 31.04 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 -0.08 0.49 -0.01 5.56 0.52 -1.26 -1.12 118.95 123.05 1j2u s ARG 113 Ca 0.00 0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 1j2u s ARG 113 Cb 0.00 -1.08 0.00 0.00 0.52 0.00 0.00 34.95 34.40 1j2u s ARG 113 CO 0.00 -0.36 -0.04 -1.17 0.02 0.00 0.00 175.30 173.74 1j2u s LEU 114 N 1.99 1.81 -0.21 2.53 2.96 -0.71 -1.57 118.68 125.48 1j2u s LEU 114 Ca 0.04 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1j2u s LEU 114 Cb -0.13 -0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.28 1j2u s LEU 114 CO -0.05 0.03 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.22 1j2u s VAL 115 N 0.17 2.90 -0.37 1.68 1.01 0.84 -0.94 120.40 125.69 1j2u s VAL 115 Ca -0.02 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 1j2u s VAL 115 Cb -0.05 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1j2u s VAL 115 CO -0.00 0.43 0.39 -0.76 0.00 0.00 0.00 175.10 175.15 1j2u s LEU 116 N 1.40 4.58 -0.44 3.92 1.43 0.26 -0.16 118.68 129.67 1j2u s LEU 116 Ca 0.05 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1j2u s LEU 116 Cb -0.14 -2.35 0.09 0.00 0.03 0.00 0.00 46.19 43.81 1j2u s LEU 116 CO -0.06 -0.42 0.31 -0.32 0.23 0.00 0.00 176.35 176.08 1j2u s MET 117 N 2.05 2.67 0.24 1.70 1.75 -0.05 -1.72 119.30 125.96 1j2u s MET 117 Ca 0.12 -1.49 -0.30 0.00 -1.25 0.00 0.00 55.69 52.77 1j2u s MET 117 Cb -0.17 -3.89 -0.09 0.00 2.84 0.00 0.00 34.83 33.52 1j2u s MET 117 CO 0.12 -1.02 0.99 1.21 -0.65 0.00 0.00 175.02 175.67 1j2u s ASN 118 N 2.35 7.53 0.00 1.11 2.47 0.33 -1.23 114.94 127.50 1j2u s ASN 118 Ca 0.04 2.04 0.00 0.00 0.42 0.00 0.00 52.86 55.36 1j2u s ASN 118 Cb -0.24 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 36.95 1j2u s ASN 118 CO 0.03 0.06 0.38 0.61 -3.72 0.00 0.00 177.10 174.45 1j2u n GLY 119 N 1.45 -0.89 2.93 1.21 0.00 -0.29 -3.04 105.19 106.57 1j2u n GLY 119 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.04 1.77 0.26 1.61 5.65 -1.25 -4.63 115.29 118.66 1j2u s HIS 120 Ca 0.00 -1.02 -0.03 0.00 0.25 0.00 0.00 55.06 54.26 1j2u s HIS 120 Cb 0.00 -1.37 0.55 0.00 -1.18 0.00 0.00 32.58 30.58 1j2u s HIS 120 CO 0.00 -0.60 1.66 -0.92 -0.65 0.00 0.00 174.74 174.23 1j2u h TYR 121 N 8.12 0.24 0.00 3.88 3.20 -1.95 -1.71 116.97 128.75 1j2u h TYR 121 Ca -0.29 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1j2u h TYR 121 Cb 1.12 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1j2u h TYR 121 CO 0.47 -0.16 0.00 0.39 -1.64 0.00 0.00 178.16 177.22 1j2u n GLU 122 N -5.22 0.03 0.21 1.82 4.71 -1.26 -3.73 120.64 117.21 1j2u n GLU 122 Ca 0.17 0.23 0.09 0.00 -0.01 0.00 0.00 57.16 57.64 1j2u n GLU 122 Cb 0.54 -1.56 0.34 0.00 -1.01 0.00 0.00 31.44 29.75 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 -0.41 1.62 2.35 -1.63 -3.40 115.58 114.10 1j2u h ASN 123 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1j2u h ASN 123 Cb 0.32 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.60 1j2u h ASN 123 CO 0.00 0.23 -0.23 0.28 -1.65 0.00 0.00 177.43 176.06 1j2u h SER 124 N 0.00 -0.77 0.84 5.81 0.02 -1.77 -1.30 113.55 116.39 1j2u h SER 124 Ca -0.00 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1j2u h SER 124 Cb 0.90 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1j2u h SER 124 CO 0.03 -0.25 -0.24 0.24 -1.14 0.00 0.00 176.83 175.47 1j2u h MET 125 N -0.15 0.00 0.03 3.45 2.86 -1.91 -1.23 114.93 117.98 1j2u h MET 125 Ca 0.20 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.62 1j2u h MET 125 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1j2u h MET 125 CO -0.50 0.24 -1.01 0.74 1.06 0.00 0.00 176.91 177.43 1j2u h PHE 126 N 0.00 0.15 -0.43 -0.22 -1.00 -1.56 -1.80 116.94 112.09 1j2u h PHE 126 Ca -0.00 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.62 1j2u h PHE 126 Cb 0.72 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.26 1j2u h PHE 126 CO 0.00 1.04 0.05 0.82 -1.61 0.00 0.00 178.31 178.61 1j2u h ILE 127 N 0.03 1.25 -0.59 -0.55 2.04 -0.87 -1.32 117.51 117.50 1j2u h ILE 127 Ca -0.04 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.90 1j2u h ILE 127 Cb 1.73 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1j2u h ILE 127 CO 0.14 0.32 0.39 0.58 0.00 0.00 0.00 178.15 179.58 1j2u h VAL 128 N 0.57 1.15 -0.47 1.67 2.07 -1.11 -1.06 116.25 119.07 1j2u h VAL 128 Ca 0.13 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 1j2u h VAL 128 Cb 0.40 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1j2u h VAL 128 CO 0.01 0.15 -0.11 -0.08 0.02 0.00 0.00 177.57 177.56 1j2u h GLU 129 N 0.80 0.91 -0.80 1.57 4.57 -1.24 -1.28 114.58 119.12 1j2u h GLU 129 Ca 0.22 -0.34 0.08 0.00 -1.18 0.00 0.00 59.36 58.14 1j2u h GLU 129 Cb -0.09 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.38 1j2u h GLU 129 CO -0.05 1.00 0.46 0.78 -1.18 0.00 0.00 179.01 180.02 1j2u h GLY 130 N 0.76 1.22 0.90 1.92 0.00 -0.79 -1.14 103.07 105.94 1j2u h GLY 130 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1j2u h GLY 130 CO 0.05 0.15 0.09 -2.22 0.00 0.00 0.00 176.54 174.60 1j2u h ILE 131 N 0.79 1.17 -0.56 2.60 2.04 -0.91 -1.78 117.51 120.86 1j2u h ILE 131 Ca 0.38 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1j2u h ILE 131 Cb 0.31 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1j2u h ILE 131 CO -0.23 0.17 0.32 -0.78 0.00 0.00 0.00 178.15 177.63 1j2u h ASP 132 N 0.20 0.68 -0.34 1.72 1.82 -0.81 0.12 116.42 119.81 1j2u h ASP 132 Ca 0.07 -0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.55 1j2u h ASP 132 Cb 0.18 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 1j2u h ASP 132 CO -0.01 0.56 -0.07 -0.07 -1.61 0.00 0.00 179.24 178.05 1j2u h LEU 133 N 0.75 0.73 -0.35 2.28 3.38 -1.15 -0.56 115.31 120.39 1j2u h LEU 133 Ca 0.20 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1j2u h LEU 133 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1j2u h LEU 133 CO -0.03 0.84 -0.23 0.00 0.09 0.00 0.00 178.44 179.11 1j2u h ALA 134 N 1.24 0.50 -0.01 1.53 0.00 -0.87 -2.62 119.26 119.02 1j2u h ALA 134 Ca 0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1j2u h ALA 134 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1j2u h ALA 134 CO 0.03 0.47 -0.47 -0.07 0.00 0.00 0.00 179.25 179.21 1j2u h LEU 135 N 0.55 0.03 -0.47 0.00 3.38 -0.77 -1.35 115.31 116.68 1j2u h LEU 135 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1j2u h LEU 135 Cb 0.79 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1j2u h LEU 135 CO 0.06 0.50 0.24 -0.09 0.09 0.00 0.00 178.44 179.24 1j2u h ARG 136 N 0.03 0.67 -0.50 1.13 2.43 -1.01 -1.25 114.38 115.88 1j2u h ARG 136 Ca -0.00 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 1j2u h ARG 136 Cb 0.84 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1j2u h ARG 136 CO 0.06 0.55 -0.15 0.93 -1.51 0.00 0.00 179.97 179.85 1j2u h GLU 137 N 0.62 0.97 -0.74 0.20 5.08 -1.05 -2.36 114.58 117.30 1j2u h GLU 137 Ca 0.16 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1j2u h GLU 137 Cb 0.09 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1j2u h GLU 137 CO -0.02 1.05 0.42 -0.07 -1.00 0.00 0.00 179.01 179.39 1j2u h LEU 138 N 0.86 0.91 -1.69 1.33 3.38 -1.04 -2.27 115.31 116.78 1j2u h LEU 138 Ca 0.13 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1j2u h LEU 138 Cb 0.71 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1j2u h LEU 138 CO 0.05 0.72 -0.12 -0.09 0.09 0.00 0.00 178.44 179.10 1j2u h ARG 139 N 1.01 0.05 -0.37 1.13 2.43 -0.95 -0.55 114.38 117.14 1j2u h ARG 139 Ca 0.26 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1j2u h ARG 139 Cb 0.00 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1j2u h ARG 139 CO -0.05 0.17 0.25 1.88 -1.51 0.00 0.00 179.97 180.71 1j2u h TYR 140 N 0.05 0.33 -0.61 2.20 0.05 -0.88 -2.00 116.97 116.10 1j2u h TYR 140 Ca 0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1j2u h TYR 140 Cb 0.24 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1j2u h TYR 140 CO 0.00 0.19 0.00 0.00 -1.05 0.00 0.00 178.16 177.30 1j2u n ALA 141 N -2.51 3.00 -1.00 3.88 0.00 -0.36 -4.92 120.51 118.60 1j2u n ALA 141 Ca 0.04 -1.44 -0.00 0.00 0.00 0.00 0.00 53.44 52.04 1j2u n ALA 141 Cb 0.19 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.14 0.47 3.55 0.00 0.00 -0.75 -5.01 105.19 104.59 1j2u n GLY 142 Ca 0.24 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.98 5.10 0.00 -0.61 1.01 -0.36 -4.89 121.20 119.48 1j2u s ILE 143 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1j2u s ILE 143 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1j2u s ILE 143 CO 0.00 -0.13 0.53 0.00 0.00 0.00 0.00 174.94 175.33 1j2u n GLN 144 N 5.53 0.32 -0.40 2.79 6.02 -1.26 -3.02 117.38 127.37 1j2u n GLN 144 Ca -0.07 -0.65 0.09 0.00 -0.01 0.00 0.00 57.00 56.36 1j2u n GLN 144 Cb 0.49 -0.84 0.28 0.00 1.02 0.00 0.00 30.24 31.19 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 -0.13 3.89 -4.68 1.08 3.85 -1.26 -4.90 116.55 114.40 1j2u n ASP 145 Ca 0.00 -2.23 -0.41 0.00 -0.71 0.00 0.00 54.79 51.43 1j2u n ASP 145 Cb 0.17 -0.44 -0.04 0.00 -1.35 0.00 0.00 41.12 39.46 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 -1.43 3.47 -0.04 2.11 2.19 -1.26 -4.85 117.98 118.18 1j2u s PHE 146 Ca 0.41 1.32 0.06 0.00 0.33 0.00 0.00 56.93 59.06 1j2u s PHE 146 Cb 0.25 -3.01 -0.01 0.00 -1.31 0.00 0.00 43.02 38.94 1j2u s PHE 146 CO 0.23 -0.17 -0.22 0.21 1.83 0.00 0.00 175.22 177.10 1j2u s LYS 147 N 1.82 2.09 -0.04 10.12 2.20 -0.28 -5.03 119.74 130.62 1j2u s LYS 147 Ca 0.40 -0.80 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1j2u s LYS 147 Cb -0.17 -1.87 -0.01 0.00 -1.51 0.00 0.00 37.83 34.28 1j2u s LYS 147 CO 0.15 0.39 -0.19 0.08 -0.36 0.00 0.00 175.35 175.42 1j2u s VAL 148 N -0.26 1.60 -0.13 4.02 1.01 -1.26 -1.73 120.40 123.64 1j2u s VAL 148 Ca 0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1j2u s VAL 148 Cb -0.11 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1j2u s VAL 148 CO 0.02 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1j2u s VAL 149 N -0.06 3.20 -0.02 2.92 1.01 -0.11 -4.99 120.40 122.35 1j2u s VAL 149 Ca -0.03 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1j2u s VAL 149 Cb -0.12 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1j2u s VAL 149 CO 0.02 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 1j2u s VAL 150 N 0.31 1.56 0.02 2.92 1.01 -1.26 -0.57 120.40 124.39 1j2u s VAL 150 Ca -0.09 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 1j2u s VAL 150 Cb -0.15 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 34.99 1j2u s VAL 150 CO 0.05 0.44 0.64 -1.48 0.00 0.00 0.00 175.10 174.75 1j2u s LEU 151 N -0.41 -0.57 -0.23 3.92 0.05 -0.70 -4.97 118.68 115.77 1j2u s LEU 151 Ca 0.06 0.45 -0.09 0.00 0.05 0.00 0.00 54.13 54.61 1j2u s LEU 151 Cb -0.08 2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 46.53 1j2u s LEU 151 CO -0.00 -0.73 0.11 -0.44 -0.55 0.00 0.00 176.35 174.74 1j2u s SER 152 N -1.73 5.71 0.42 1.48 0.01 -1.26 -0.52 113.70 117.82 1j2u s SER 152 Ca -0.07 0.01 0.14 0.00 1.31 0.00 0.00 55.95 57.35 1j2u s SER 152 Cb -0.00 -2.02 1.02 0.00 0.21 0.00 0.00 66.02 65.23 1j2u s SER 152 CO 0.02 0.06 1.94 0.10 0.41 0.00 0.00 173.24 175.77 1j2u h TYR 153 N 7.52 0.49 0.00 2.43 -0.00 -1.90 -1.67 116.97 123.85 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 1.17 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 37.74 1j2u h TYR 153 CO 0.65 0.21 -0.08 0.11 -0.00 0.00 0.00 178.16 179.04 1j2u h TRP 154 N 0.44 0.00 0.00 0.10 0.09 -1.95 -2.74 115.95 111.89 1j2u h TRP 154 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.32 1j2u h TRP 154 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.97 1j2u h TRP 154 CO -0.00 0.08 0.00 -0.25 0.09 0.00 0.00 178.44 178.36 1j2u n ASP 155 N -4.04 0.47 0.01 0.11 8.00 -0.63 -1.17 116.55 119.30 1j2u n ASP 155 Ca -0.03 0.68 0.13 0.00 0.71 0.00 0.00 54.79 56.28 1j2u n ASP 155 Cb 0.17 -0.75 0.47 0.00 -0.02 0.00 0.00 41.12 40.98 1j2u n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1j2u n PHE 156 N -2.09 0.05 -2.91 1.24 3.01 -1.03 -4.52 117.46 111.21 1j2u n PHE 156 Ca 0.00 0.01 -0.44 0.00 1.01 0.00 0.00 57.45 58.04 1j2u n PHE 156 Cb 0.10 -0.43 -0.03 0.00 -0.01 0.00 0.00 39.48 39.11 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 -3.01 4.59 0.00 -4.37 1.01 -0.32 -4.69 120.40 113.60 1j2u s VAL 157 Ca 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1j2u s VAL 157 Cb 0.18 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.82 1j2u s VAL 157 CO 0.60 -1.48 0.00 0.29 0.00 0.00 0.00 175.10 174.51 1j2u n LYS 158 N 6.95 0.99 -1.68 2.72 5.02 -1.26 -4.97 118.16 125.94 1j2u n LYS 158 Ca 0.13 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.95 1j2u n LYS 158 Cb 0.48 -0.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.52 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 -1.36 3.63 -0.26 4.39 2.03 -1.26 -4.87 116.55 118.85 1j2u n ASP 159 Ca 0.00 0.96 0.04 0.00 0.52 0.00 0.00 54.79 56.31 1j2u n ASP 159 Cb 0.00 -1.41 0.18 0.00 -0.72 0.00 0.00 41.12 39.16 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 9.42 0.51 -0.56 -0.67 0.11 -1.98 0.10 132.00 138.94 1j2u h PRO 160 Ca -0.49 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.63 1j2u h PRO 160 Cb 1.26 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1j2u h PRO 160 CO 0.95 0.34 0.31 0.00 -0.21 0.00 0.00 178.00 179.39 1j2u h ALA 161 N 1.51 0.72 -0.24 -0.75 0.00 -2.00 -0.87 119.26 117.63 1j2u h ALA 161 Ca 0.40 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1j2u h ALA 161 Cb 0.54 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j2u h ALA 161 CO -0.35 -0.00 -0.18 0.28 0.00 0.00 0.00 179.25 179.00 1j2u h VAL 162 N 0.61 1.31 -0.72 0.00 2.07 -1.59 -3.14 116.25 114.78 1j2u h VAL 162 Ca 0.24 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.50 1j2u h VAL 162 Cb 0.10 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1j2u h VAL 162 CO -0.14 0.41 0.42 0.40 0.02 0.00 0.00 177.57 178.68 1j2u h ILE 163 N 0.25 0.99 -1.00 4.57 1.08 -0.42 -2.31 117.51 120.67 1j2u h ILE 163 Ca 0.04 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1j2u h ILE 163 Cb 0.72 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 1j2u h ILE 163 CO 0.05 0.14 0.66 -0.61 -0.69 0.00 0.00 178.15 177.70 1j2u h GLN 164 N 0.77 1.26 -0.03 2.37 5.75 -1.17 0.52 115.11 124.58 1j2u h GLN 164 Ca 0.32 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1j2u h GLN 164 Cb 0.18 -0.28 -0.00 0.00 1.07 0.00 0.00 27.48 28.44 1j2u h GLN 164 CO -0.18 0.83 0.02 1.96 -2.65 0.00 0.00 178.83 178.81 1j2u h GLN 165 N 1.30 0.04 -0.05 1.69 4.20 -1.38 0.12 115.11 121.03 1j2u h GLN 165 Ca 0.39 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.04 1j2u h GLN 165 Cb -0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1j2u h GLN 165 CO -0.11 0.04 -0.18 -0.07 -0.67 0.00 0.00 178.83 177.84 1j2u h LEU 166 N 0.02 0.24 -5.98 1.46 3.38 -1.19 -3.34 115.31 109.90 1j2u h LEU 166 Ca 0.01 -0.63 -0.63 0.00 0.09 0.00 0.00 57.88 56.72 1j2u h LEU 166 Cb 0.01 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 40.29 1j2u h LEU 166 CO -0.00 0.83 -0.40 -1.22 0.09 0.00 0.00 178.44 177.74 1j2u n TYR 167 N -4.58 3.61 -0.13 1.13 4.02 0.18 -4.88 117.16 116.52 1j2u n TYR 167 Ca -0.08 -3.88 0.18 0.00 -0.01 0.00 0.00 57.90 54.10 1j2u n TYR 167 Cb 0.42 -0.63 0.57 0.00 -0.02 0.00 0.00 39.34 39.67 1j2u n TYR 167 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1j2u h PRO 168 N 3.92 0.27 -0.63 -0.72 0.11 -0.89 -0.28 132.00 133.79 1j2u h PRO 168 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1j2u h PRO 168 Cb 0.59 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1j2u h PRO 168 CO 0.90 0.18 0.00 -1.91 -0.21 0.00 0.00 178.00 176.96 1j2u n GLU 169 N -4.44 3.19 0.00 1.05 2.13 -1.26 -4.99 120.64 116.31 1j2u n GLU 169 Ca 0.14 -2.29 0.00 0.00 0.66 0.00 0.00 57.16 55.67 1j2u n GLU 169 Cb 0.59 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1j2u n GLU 169 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j2u n GLY 170 N 0.98 3.39 3.68 8.31 0.00 -0.12 -5.03 105.19 116.41 1j2u n GLY 170 Ca 0.21 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.68 2.93 -2.23 1.61 5.36 -1.26 -4.77 117.98 118.94 1j2u s PHE 171 Ca 0.00 0.93 0.21 0.00 -0.96 0.00 0.00 56.93 57.12 1j2u s PHE 171 Cb 0.00 -3.58 0.91 0.00 -0.34 0.00 0.00 43.02 40.00 1j2u s PHE 171 CO 0.00 -2.09 1.63 1.28 -1.46 0.00 0.00 175.22 174.58 1j2u n LEU 172 N 5.47 1.20 0.00 6.12 4.77 -1.26 -5.04 117.00 128.27 1j2u n LEU 172 Ca 0.13 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1j2u n LEU 172 Cb 0.44 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1j2u n LEU 172 CO 0.57 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1j2u n GLY 173 N 1.05 -1.99 0.28 -0.72 0.00 -1.26 -4.36 105.19 98.20 1j2u n GLY 173 Ca 0.16 -1.29 0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.20 1.61 -0.00 -1.96 -2.75 115.95 112.66 1j2u h TRP 174 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.81 1j2u h TRP 174 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.16 1j2u h TRP 174 CO 0.00 0.04 -0.17 0.38 -0.00 0.00 0.00 178.44 178.69 1j2u h ASP 175 N 0.00 0.50 0.93 -3.49 -0.00 -1.87 -3.12 116.42 109.37 1j2u h ASP 175 Ca -0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 1j2u h ASP 175 Cb 0.43 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.62 1j2u h ASP 175 CO 0.01 0.86 0.00 -0.38 -0.00 0.00 0.00 179.24 179.72 1j2u n ILE 176 N -4.47 0.76 -1.52 4.15 2.08 -1.11 -3.75 119.36 115.49 1j2u n ILE 176 Ca -0.05 0.09 -0.40 0.00 0.56 0.00 0.00 62.75 62.94 1j2u n ILE 176 Cb 0.38 -0.99 -0.01 0.00 -0.75 0.00 0.00 39.64 38.27 1j2u n ILE 176 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1j2u n GLU 177 N -2.22 3.18 -4.07 0.38 0.00 -1.05 -3.12 120.64 113.74 1j2u n GLU 177 Ca 0.03 -2.39 -0.32 0.00 0.00 0.00 0.00 57.16 54.48 1j2u n GLU 177 Cb 0.29 -3.05 -0.15 0.00 0.00 0.00 0.00 31.44 28.52 1j2u n GLU 177 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1j2u s HIS 178 N 2.79 3.22 -0.55 4.31 2.46 -1.25 -4.66 115.29 121.62 1j2u s HIS 178 Ca 0.57 -2.23 0.00 0.00 0.47 0.00 0.00 55.06 53.87 1j2u s HIS 178 Cb 0.16 -1.94 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 1j2u s HIS 178 CO -0.07 -0.87 0.00 0.41 -2.47 0.00 0.00 174.74 171.74 1j2u n GLY 179 N 4.46 0.77 0.00 1.59 0.00 -1.26 -1.70 105.19 109.05 1j2u n GLY 179 Ca -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.34 2.11 0.33 -0.02 0.00 -1.26 -4.34 105.19 99.69 1j2u n GLY 180 Ca -0.05 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.01 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 1.20 0.79 1.61 2.07 -1.85 -1.82 116.25 118.26 1j2u h VAL 181 Ca 0.00 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1j2u h VAL 181 Cb 0.00 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1j2u h VAL 181 CO 0.00 0.21 -0.38 0.15 0.02 0.00 0.00 177.57 177.57 1j2u h PHE 182 N 1.16 -0.99 -0.47 1.57 3.04 -1.94 -0.92 116.94 118.39 1j2u h PHE 182 Ca 0.33 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.17 1j2u h PHE 182 Cb -0.09 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 1j2u h PHE 182 CO -0.01 -0.61 -0.07 0.93 -2.02 0.00 0.00 178.31 176.53 1j2u h GLU 183 N -1.28 0.83 -0.52 1.11 5.08 -1.90 -2.57 114.58 115.34 1j2u h GLU 183 Ca -0.11 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1j2u h GLU 183 Cb 0.82 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1j2u h GLU 183 CO 0.18 0.88 -0.04 1.15 -1.00 0.00 0.00 179.01 180.17 1j2u h THR 184 N 0.76 1.27 -0.41 1.13 2.02 -1.35 -0.30 112.91 116.02 1j2u h THR 184 Ca 0.13 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1j2u h THR 184 Cb 0.56 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1j2u h THR 184 CO 0.03 0.41 0.20 0.28 0.37 0.00 0.00 175.52 176.81 1j2u h SER 185 N 0.81 0.54 -0.65 4.18 0.02 -1.05 0.16 113.55 117.56 1j2u h SER 185 Ca 0.14 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1j2u h SER 185 Cb 0.59 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 1j2u h SER 185 CO 0.04 0.52 0.40 -0.07 -1.14 0.00 0.00 176.83 176.57 1j2u h LEU 186 N 0.53 0.66 -0.80 5.07 3.38 -1.26 -1.50 115.31 121.39 1j2u h LEU 186 Ca 0.14 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1j2u h LEU 186 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1j2u h LEU 186 CO -0.02 0.46 -0.01 0.24 0.09 0.00 0.00 178.44 179.21 1j2u h MET 187 N 0.79 0.90 -0.52 1.13 2.86 -0.56 -0.23 114.93 119.29 1j2u h MET 187 Ca 0.26 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1j2u h MET 187 Cb 0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1j2u h MET 187 CO -0.10 0.89 0.16 -0.07 1.06 0.00 0.00 176.91 178.85 1j2u h LEU 188 N 0.83 0.71 -0.24 1.22 3.38 -0.16 0.29 115.31 121.35 1j2u h LEU 188 Ca 0.15 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1j2u h LEU 188 Cb 0.50 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1j2u h LEU 188 CO 0.02 0.68 -0.84 0.00 0.09 0.00 0.00 178.44 178.39 1j2u h ALA 189 N 1.42 0.41 0.00 1.53 0.00 -0.76 -3.33 119.26 118.54 1j2u h ALA 189 Ca 0.17 -0.65 -0.39 0.00 0.00 0.00 0.00 54.91 54.05 1j2u h ALA 189 Cb 0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1j2u h ALA 189 CO -0.01 0.76 -2.47 1.28 0.00 0.00 0.00 179.25 178.81 1j2u n LEU 190 N -3.83 2.75 -3.18 0.00 4.77 -0.15 -4.77 117.00 112.60 1j2u n LEU 190 Ca -0.06 -0.12 -0.18 0.00 -0.03 0.00 0.00 56.01 55.61 1j2u n LEU 190 Cb 0.78 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1j2u n LEU 190 CO 0.51 0.91 -0.21 -1.22 -1.33 0.00 0.00 177.39 176.04 1j2u n TYR 191 N -3.22 0.07 -0.10 -1.77 4.01 0.10 -4.97 117.16 111.28 1j2u n TYR 191 Ca -0.45 -3.76 0.20 0.00 -0.16 0.00 0.00 57.90 53.73 1j2u n TYR 191 Cb 1.00 -0.35 0.63 0.00 -0.31 0.00 0.00 39.34 40.31 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 3.01 0.14 0.00 -0.72 0.13 -1.59 0.14 132.00 133.11 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 0.97 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1j2u h PRO 192 CO 0.49 0.09 0.00 -0.44 -0.23 0.00 0.00 178.00 177.91 1j2u h ASP 193 N 0.15 0.00 -0.28 1.44 3.45 -1.92 -2.14 116.42 117.12 1j2u h ASP 193 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 1j2u h ASP 193 Cb 1.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 1j2u h ASP 193 CO -0.05 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.80 1j2u n LEU 194 N -2.35 2.84 -4.16 1.55 4.77 0.50 -4.88 117.00 115.28 1j2u n LEU 194 Ca 0.01 -1.18 -0.25 0.00 -0.03 0.00 0.00 56.01 54.56 1j2u n LEU 194 Cb 0.19 -0.18 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1j2u n LEU 194 CO 0.18 0.59 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.64 1j2u s VAL 195 N -1.65 1.37 -0.44 4.08 1.01 -0.80 -3.20 120.40 120.77 1j2u s VAL 195 Ca 0.36 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1j2u s VAL 195 Cb 0.21 -1.15 0.13 0.00 0.00 0.00 0.00 36.38 35.57 1j2u s VAL 195 CO 0.30 0.39 0.23 -0.62 0.00 0.00 0.00 175.10 175.40 1j2u s ASP 196 N -0.31 3.71 0.58 3.32 -1.08 -0.36 -4.95 116.67 117.57 1j2u s ASP 196 Ca 0.05 -2.59 0.28 0.00 -0.52 0.00 0.00 52.55 49.76 1j2u s ASP 196 Cb -0.08 -1.06 1.51 0.00 -1.46 0.00 0.00 42.92 41.84 1j2u s ASP 196 CO -0.00 -0.27 1.98 0.25 0.52 0.00 0.00 175.17 177.64 1j2u h LEU 197 N 6.79 0.00 -0.78 -1.34 5.85 -1.96 -0.29 115.31 123.58 1j2u h LEU 197 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1j2u h LEU 197 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1j2u h LEU 197 CO 0.49 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 179.06 1j2u n ASP 198 N -3.89 0.68 -0.45 1.25 8.00 -1.26 -2.45 116.55 118.43 1j2u n ASP 198 Ca 0.07 0.68 0.13 0.00 0.71 0.00 0.00 54.79 56.37 1j2u n ASP 198 Cb 0.56 -0.82 0.31 0.00 -0.02 0.00 0.00 41.12 41.15 1j2u n ASP 198 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1j2u n ARG 199 N -2.26 1.32 -1.73 -1.24 1.74 -0.12 -4.93 116.66 109.44 1j2u n ARG 199 Ca 0.02 -0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 55.78 1j2u n ARG 199 Cb 0.22 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 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 -2.30 2.37 -0.35 1.55 1.01 -1.02 -4.39 120.40 117.26 1j2u s VAL 200 Ca 0.27 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 1j2u s VAL 200 Cb 0.20 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1j2u s VAL 200 CO 0.45 0.00 0.56 -0.69 0.00 0.00 0.00 175.10 175.43 1j2u s VAL 201 N 2.14 4.97 -0.61 2.92 1.01 -1.26 -5.01 120.40 124.55 1j2u s VAL 201 Ca 0.78 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.95 1j2u s VAL 201 Cb -0.47 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 31.94 1j2u s VAL 201 CO 0.35 -0.26 1.07 -0.62 0.00 0.00 0.00 175.10 175.64 1j2u s ASP 202 N 1.77 6.30 0.22 3.32 2.15 -1.26 -4.80 116.67 124.38 1j2u s ASP 202 Ca 0.21 -0.38 0.09 0.00 0.43 0.00 0.00 52.55 52.90 1j2u s ASP 202 Cb -0.15 -2.49 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 1j2u s ASP 202 CO 0.14 -1.45 -0.16 -1.38 -0.17 0.00 0.00 175.17 172.15 1j2u s HIS 203 N 4.56 1.90 0.39 -5.34 -3.43 -1.26 -5.08 115.29 107.03 1j2u s HIS 203 Ca 0.33 -0.49 -0.25 0.00 -0.80 0.00 0.00 55.06 53.84 1j2u s HIS 203 Cb -0.11 -0.86 -0.09 0.00 -1.43 0.00 0.00 32.58 30.09 1j2u s HIS 203 CO 0.18 0.47 1.17 -1.25 -2.00 0.00 0.00 174.74 173.31 1j2u s PRO 204 N -3.53 4.09 0.24 -0.38 0.04 -1.26 -4.16 135.00 130.05 1j2u s PRO 204 Ca 0.24 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1j2u s PRO 204 Cb -0.02 -2.71 -0.15 0.00 0.04 0.00 0.00 34.50 31.66 1j2u s PRO 204 CO 0.09 -0.29 1.04 -2.30 0.04 0.00 0.00 177.00 175.58 1j2u n PRO 205 N 0.15 1.22 -1.84 0.56 -0.02 -1.26 -4.87 135.00 128.95 1j2u n PRO 205 Ca 0.04 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 1j2u n PRO 205 Cb 0.46 -1.83 -0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1j2u n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2u s ALA 206 N -0.75 3.57 0.08 3.55 0.00 0.06 -5.02 121.76 123.26 1j2u s ALA 206 Ca 0.64 1.54 0.09 0.00 0.00 0.00 0.00 51.96 54.22 1j2u s ALA 206 Cb -0.76 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 18.73 1j2u s ALA 206 CO 0.57 -1.01 -0.22 0.95 0.00 0.00 0.00 175.76 176.05 1j2u s THR 207 N -1.07 1.83 0.03 0.00 -4.23 -1.26 -5.03 115.64 105.91 1j2u s THR 207 Ca 0.53 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1j2u s THR 207 Cb -0.46 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 1j2u s THR 207 CO 0.61 0.09 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.36 1j2u s PHE 208 N -1.00 0.57 1.18 3.99 0.40 -1.26 -5.05 117.98 116.81 1j2u s PHE 208 Ca 0.09 -0.49 -0.14 0.00 -0.60 0.00 0.00 56.93 55.79 1j2u s PHE 208 Cb -0.10 -0.35 0.28 0.00 0.51 0.00 0.00 43.02 43.37 1j2u s PHE 208 CO 0.04 -0.10 1.03 -1.25 0.70 0.00 0.00 175.22 175.63 1j2u s PRO 209 N -1.48 -1.00 -0.03 0.24 0.04 -1.26 -4.89 135.00 126.63 1j2u s PRO 209 Ca -0.11 0.60 0.01 0.00 0.04 0.00 0.00 61.00 61.54 1j2u s PRO 209 Cb -0.10 -1.56 0.07 0.00 0.04 0.00 0.00 34.50 32.95 1j2u s PRO 209 CO 0.00 -3.71 0.75 -0.35 0.04 0.00 0.00 177.00 173.73 1j2u n PRO 210 N -4.88 1.26 -4.03 0.56 -0.05 -1.26 -4.83 135.00 121.78 1j2u n PRO 210 Ca 0.05 -0.26 -0.10 0.00 -0.05 0.00 0.00 63.50 63.14 1j2u n PRO 210 Cb 0.56 -1.42 -0.07 0.00 -0.05 0.00 0.00 33.50 32.51 1j2u n PRO 210 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 1j2u s TYR 211 N -0.88 0.56 0.07 0.54 -0.85 -1.26 -5.18 117.35 110.36 1j2u s TYR 211 Ca 0.05 -0.90 0.08 0.00 -0.52 0.00 0.00 57.07 55.78 1j2u s TYR 211 Cb 0.04 -0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 1j2u s TYR 211 CO 0.01 -0.75 -0.20 -0.51 -1.52 0.00 0.00 175.55 172.58 1j2u s ASP 212 N -3.02 3.70 -0.03 -0.18 1.11 -1.26 -5.11 116.67 111.88 1j2u s ASP 212 Ca 0.23 -0.51 0.06 0.00 0.18 0.00 0.00 52.55 52.52 1j2u s ASP 212 Cb 0.03 -0.52 -0.01 0.00 1.07 0.00 0.00 42.92 43.49 1j2u s ASP 212 CO 0.04 0.23 -0.22 -0.69 1.18 0.00 0.00 175.17 175.72 1j2u s VAL 213 N -0.97 1.75 -0.02 -1.27 1.01 -1.26 -5.13 120.40 114.50 1j2u s VAL 213 Ca 0.15 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1j2u s VAL 213 Cb -0.10 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1j2u s VAL 213 CO 0.06 0.49 -0.03 -0.36 0.00 0.00 0.00 175.10 175.27 1j2u s PHE 214 N -0.37 0.40 0.72 5.22 0.08 -1.26 -3.55 117.98 119.22 1j2u s PHE 214 Ca 0.05 -0.06 -0.16 0.00 0.12 0.00 0.00 56.93 56.87 1j2u s PHE 214 Cb -0.10 -0.37 0.03 0.00 -0.57 0.00 0.00 43.02 42.01 1j2u s PHE 214 CO 0.00 -0.08 1.26 -2.14 -0.10 0.00 0.00 175.22 174.16 1j2u s PRO 215 N 0.50 2.14 0.26 0.24 0.02 -1.26 -5.08 135.00 131.81 1j2u s PRO 215 Ca -0.05 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 1j2u s PRO 215 Cb -0.08 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.52 1j2u s PRO 215 CO -0.01 -1.89 1.44 0.54 -0.33 0.00 0.00 177.00 176.75 1j2u s VAL 216 N -1.70 2.63 -0.46 3.83 0.11 -1.23 -4.97 120.40 118.61 1j2u s VAL 216 Ca 0.79 0.54 -0.21 0.00 -2.93 0.00 0.00 61.98 60.17 1j2u s VAL 216 Cb -0.34 -3.34 0.03 0.00 -1.53 0.00 0.00 36.38 31.19 1j2u s VAL 216 CO 0.45 0.09 0.66 -0.62 -3.33 0.00 0.00 175.10 172.35 1j2u s ASP 217 N 0.30 6.31 0.53 3.54 3.68 -1.26 -4.96 116.67 124.82 1j2u s ASP 217 Ca 0.59 -0.44 0.22 0.00 2.13 0.00 0.00 52.55 55.05 1j2u s ASP 217 Cb -0.42 -2.32 1.39 0.00 -1.45 0.00 0.00 42.92 40.11 1j2u s ASP 217 CO 0.44 -0.84 2.08 -0.65 0.13 0.00 0.00 175.17 176.34 1j2u h PRO 218 N 8.93 0.00 0.00 4.34 0.11 -1.96 -2.27 132.00 141.16 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 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1j2u h PRO 218 CO 0.92 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.69 1j2u h ALA 219 N 1.85 1.26 -0.00 -0.75 0.00 -2.00 -1.76 119.26 117.86 1j2u h ALA 219 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1j2u h ALA 219 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1j2u h ALA 219 CO -0.00 0.02 -0.06 0.54 0.00 0.00 0.00 179.25 179.75 1j2u n ARG 220 N -3.47 0.62 -4.24 0.00 1.74 -0.85 -4.73 116.66 105.72 1j2u n ARG 220 Ca -0.03 -0.13 -0.35 0.00 -0.77 0.00 0.00 57.85 56.57 1j2u n ARG 220 Cb 0.11 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.47 4.44 0.29 0.55 2.01 -0.66 -4.89 115.64 114.91 1j2u s THR 221 Ca 0.30 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 1j2u s THR 221 Cb 0.20 -2.93 -0.13 0.00 0.01 0.00 0.00 72.50 69.65 1j2u s THR 221 CO 0.46 0.54 1.16 -2.65 -0.69 0.00 0.00 174.62 173.44 1j2u n PRO 222 N 2.83 1.68 -0.31 4.92 -0.02 -1.26 -4.86 135.00 137.98 1j2u n PRO 222 Ca -0.18 0.59 0.16 0.00 -2.02 0.00 0.00 63.50 62.05 1j2u n PRO 222 Cb 0.53 -2.07 0.34 0.00 -0.02 0.00 0.00 33.50 32.28 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 2.50 1.49 0.00 3.55 0.00 -1.91 -1.14 119.26 123.75 1j2u h ALA 223 Ca -0.43 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j2u h ALA 223 Cb 1.31 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1j2u h ALA 223 CO 0.63 -0.45 -0.00 -1.35 0.00 0.00 0.00 179.25 178.08 1j2u h PRO 224 N 0.30 0.00 0.00 0.00 0.11 -1.97 -3.47 132.00 126.97 1j2u h PRO 224 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1j2u h PRO 224 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1j2u h PRO 224 CO -0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.60 1j2u n GLY 225 N -0.08 1.10 3.82 -0.55 0.00 -0.43 -3.76 105.19 105.29 1j2u n GLY 225 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.27 4.41 -0.16 2.61 -4.23 -1.26 -4.41 115.64 110.34 1j2u s THR 226 Ca 0.00 1.45 0.22 0.00 -1.18 0.00 0.00 61.69 62.18 1j2u s THR 226 Cb 0.00 -3.60 -0.24 0.00 1.34 0.00 0.00 72.50 69.99 1j2u s THR 226 CO 0.00 -0.32 0.66 0.18 -0.54 0.00 0.00 174.62 174.60 1j2u n LEU 227 N -0.65 0.28 -3.83 4.79 4.77 -0.69 -4.41 117.00 117.26 1j2u n LEU 227 Ca 0.07 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1j2u n LEU 227 Cb 0.54 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1j2u n LEU 227 CO 0.38 -0.03 -0.07 -0.94 -1.33 0.00 0.00 177.39 175.39 1j2u s SER 228 N -4.61 0.04 0.17 -1.43 1.04 -1.18 -0.76 113.70 106.96 1j2u s SER 228 Ca -0.05 -0.45 -0.30 0.00 0.48 0.00 0.00 55.95 55.63 1j2u s SER 228 Cb 0.13 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 1j2u s SER 228 CO 0.87 -0.64 1.08 -0.55 0.98 0.00 0.00 173.24 174.99 1j2u s SER 229 N -2.40 7.29 -0.15 7.02 0.15 -1.26 -3.98 113.70 120.37 1j2u s SER 229 Ca -0.01 2.06 0.15 0.00 0.70 0.00 0.00 55.95 58.85 1j2u s SER 229 Cb 0.01 -2.60 0.70 0.00 -1.71 0.00 0.00 66.02 62.43 1j2u s SER 229 CO -0.07 -0.20 1.60 0.00 1.20 0.00 0.00 173.24 175.77 1j2u n ALA 230 N 2.41 3.37 -0.24 5.45 0.00 -1.26 -3.72 120.51 126.52 1j2u n ALA 230 Ca 0.03 -1.58 0.03 0.00 0.00 0.00 0.00 53.44 51.92 1j2u n ALA 230 Cb 0.46 -1.07 0.13 0.00 0.00 0.00 0.00 19.45 18.98 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 3.73 0.10 -0.47 0.00 3.64 -1.93 -0.83 116.57 120.81 1j2u h LYS 231 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1j2u h LYS 231 Cb 1.58 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1j2u h LYS 231 CO 0.32 0.06 0.00 0.25 -2.27 0.00 0.00 179.45 177.81 1j2u n THR 232 N -5.34 0.69 -2.03 1.00 -2.24 -1.26 -4.93 114.28 100.17 1j2u n THR 232 Ca 0.12 -0.52 -0.37 0.00 -2.27 0.00 0.00 64.05 61.01 1j2u n THR 232 Cb 0.42 0.06 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.61 2.84 0.01 6.98 0.00 -0.32 -5.03 121.76 124.63 1j2u s ALA 233 Ca 0.24 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 1j2u s ALA 233 Cb 0.14 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1j2u s ALA 233 CO 0.14 -1.02 0.37 -1.54 0.00 0.00 0.00 175.76 173.70 1j2u s SER 234 N -1.24 -0.24 0.32 0.00 1.04 -1.26 -4.92 113.70 107.41 1j2u s SER 234 Ca 0.69 0.06 0.05 0.00 0.48 0.00 0.00 55.95 57.24 1j2u s SER 234 Cb -0.34 0.37 0.69 0.00 0.10 0.00 0.00 66.02 66.85 1j2u s SER 234 CO 0.40 -0.55 1.86 -0.09 0.98 0.00 0.00 173.24 175.84 1j2u h ARG 235 N 3.44 0.81 -0.22 4.02 2.43 -1.87 -0.69 114.38 122.31 1j2u h ARG 235 Ca -0.30 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1j2u h ARG 235 Cb 1.18 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1j2u h ARG 235 CO 0.42 0.54 0.12 0.93 -1.51 0.00 0.00 179.97 180.47 1j2u h GLU 236 N 0.84 0.31 -0.98 0.20 3.07 -1.95 -1.49 114.58 114.57 1j2u h GLU 236 Ca 0.46 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.30 1j2u h GLU 236 Cb 0.57 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 1j2u h GLU 236 CO -0.22 0.29 0.65 0.87 -1.40 0.00 0.00 179.01 179.20 1j2u h LYS 237 N 0.25 1.26 -0.59 2.33 1.57 -1.71 -2.33 116.57 117.35 1j2u h LYS 237 Ca 0.08 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1j2u h LYS 237 Cb 0.07 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 1j2u h LYS 237 CO -0.01 0.83 0.36 0.78 -0.57 0.00 0.00 179.45 180.84 1j2u h GLY 238 N 1.30 0.83 1.46 3.86 0.00 -0.69 -0.19 103.07 109.63 1j2u h GLY 238 Ca 0.37 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 1j2u h GLY 238 CO -0.10 0.24 -0.08 0.83 0.00 0.00 0.00 176.54 177.43 1j2u h GLU 239 N 0.72 0.66 -0.07 4.80 4.39 -0.97 0.58 114.58 124.68 1j2u h GLU 239 Ca 0.23 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1j2u h GLU 239 Cb 0.01 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1j2u h GLU 239 CO -0.09 0.73 0.01 1.25 -1.16 0.00 0.00 179.01 179.75 1j2u h LEU 240 N 0.61 0.10 -0.27 1.33 5.85 -0.92 -1.90 115.31 120.10 1j2u h LEU 240 Ca 0.11 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1j2u h LEU 240 Cb 0.50 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1j2u h LEU 240 CO 0.03 0.31 0.17 0.40 -0.34 0.00 0.00 178.44 179.01 1j2u h ILE 241 N -0.11 1.06 -0.26 4.05 2.04 -0.74 -2.02 117.51 121.53 1j2u h ILE 241 Ca 0.02 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1j2u h ILE 241 Cb 0.25 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1j2u h ILE 241 CO 0.00 0.06 -0.02 0.25 0.00 0.00 0.00 178.15 178.44 1j2u h LEU 242 N 0.36 -0.15 -0.64 1.44 5.85 -0.82 0.53 115.31 121.88 1j2u h LEU 242 Ca 0.10 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1j2u h LEU 242 Cb -0.04 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1j2u h LEU 242 CO -0.03 -0.04 0.08 -0.08 -0.34 0.00 0.00 178.44 178.03 1j2u h GLU 243 N 0.05 1.08 -0.44 1.25 4.57 -1.18 0.12 114.58 120.04 1j2u h GLU 243 Ca 0.12 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1j2u h GLU 243 Cb 0.17 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1j2u h GLU 243 CO -0.23 1.01 0.11 0.28 -1.18 0.00 0.00 179.01 179.00 1j2u h VAL 244 N 0.99 1.23 0.10 0.32 2.07 -0.86 -1.02 116.25 119.08 1j2u h VAL 244 Ca 0.19 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1j2u h VAL 244 Cb 0.47 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1j2u h VAL 244 CO 0.02 0.28 -0.05 0.00 0.02 0.00 0.00 177.57 177.84 1j2u h VAL 246 N -0.44 1.02 -0.18 0.00 2.07 -0.97 -0.23 116.25 117.53 1j2u h VAL 246 Ca -0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1j2u h VAL 246 Cb 0.36 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1j2u h VAL 246 CO 0.02 0.10 0.06 -0.61 0.02 0.00 0.00 177.57 177.16 1j2u h GLN 247 N 0.54 0.27 -0.59 1.57 5.75 -1.17 -1.91 115.11 119.57 1j2u h GLN 247 Ca 0.20 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1j2u h GLN 247 Cb 0.05 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1j2u h GLN 247 CO -0.11 0.38 0.06 0.78 -2.65 0.00 0.00 178.83 177.29 1j2u h GLY 248 N 0.11 1.08 0.95 2.39 0.00 -0.97 -2.14 103.07 104.49 1j2u h GLY 248 Ca 0.06 -0.76 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 1j2u h GLY 248 CO -0.00 0.70 -0.26 -2.22 0.00 0.00 0.00 176.54 174.75 1j2u h ILE 249 N 0.90 1.30 -0.59 2.60 2.04 -1.06 -1.36 117.51 121.35 1j2u h ILE 249 Ca 0.17 -1.42 0.07 0.00 1.00 0.00 0.00 64.86 64.68 1j2u h ILE 249 Cb 0.48 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 1j2u h ILE 249 CO 0.02 0.45 0.28 0.00 0.00 0.00 0.00 178.15 178.90 1j2u h ALA 250 N 0.70 0.77 -0.52 1.87 0.00 -1.28 0.17 119.26 120.97 1j2u h ALA 250 Ca 0.05 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1j2u h ALA 250 Cb 0.82 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1j2u h ALA 250 CO 0.07 -0.09 0.08 -0.44 0.00 0.00 0.00 179.25 178.86 1j2u h ASP 251 N 0.52 0.84 -0.46 0.00 3.32 -1.26 -0.42 116.42 118.96 1j2u h ASP 251 Ca 0.28 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1j2u h ASP 251 Cb 0.24 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1j2u h ASP 251 CO -0.22 0.89 0.24 0.00 -1.72 0.00 0.00 179.24 178.43 1j2u h ALA 252 N 0.98 0.60 -0.59 3.45 0.00 -0.75 -1.02 119.26 121.92 1j2u h ALA 252 Ca 0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1j2u h ALA 252 Cb 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1j2u h ALA 252 CO 0.01 0.15 0.05 0.82 0.00 0.00 0.00 179.25 180.28 1j2u h ILE 253 N 0.61 1.26 -0.65 0.00 2.04 -0.41 -1.49 117.51 118.88 1j2u h ILE 253 Ca 0.16 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1j2u h ILE 253 Cb 0.09 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1j2u h ILE 253 CO -0.02 0.39 0.35 0.03 0.00 0.00 0.00 178.15 178.90 1j2u h ARG 254 N 0.91 0.90 -0.40 2.37 3.08 -0.82 0.29 114.38 120.71 1j2u h ARG 254 Ca 0.17 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 1j2u h ARG 254 Cb 0.49 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1j2u h ARG 254 CO 0.02 0.67 -0.34 1.49 -1.07 0.00 0.00 179.97 180.73 1j2u h GLU 255 N 0.91 0.93 0.00 0.04 4.81 -0.77 -2.96 114.58 117.55 1j2u h GLU 255 Ca 0.23 -0.47 -0.18 0.00 -0.13 0.00 0.00 59.36 58.81 1j2u h GLU 255 Cb 0.03 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1j2u h GLU 255 CO -0.04 1.13 -0.98 0.93 -0.73 0.00 0.00 179.01 179.33 1j2u h GLU 256 N 0.76 0.00 -2.31 1.92 4.39 -0.93 -3.38 114.58 115.03 1j2u h GLU 256 Ca 0.07 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.18 1j2u h GLU 256 Cb 0.94 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.18 1j2u h GLU 256 CO 0.09 0.65 -0.80 1.19 -1.16 0.00 0.00 179.01 178.98 1j2u n PHE 257 N -3.19 1.75 -2.13 4.33 3.72 0.98 -5.09 117.46 117.83 1j2u n PHE 257 Ca -0.03 -3.89 -0.37 0.00 -0.05 0.00 0.00 57.45 53.12 1j2u n PHE 257 Cb 0.87 -0.40 0.01 0.00 -0.94 0.00 0.00 39.48 39.02 1j2u n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1j2u s PRO 258 N -1.58 3.42 0.00 -1.08 0.02 -1.12 -4.59 135.00 130.07 1j2u s PRO 258 Ca 0.35 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1j2u s PRO 258 Cb 0.11 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1j2u s PRO 258 CO -0.09 -0.85 0.36 -2.30 -0.33 0.00 0.00 177.00 173.79