#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 -0.83 -0.91 3.14 2.88 -1.26 -4.92 113.62 111.72 1j2u n SER 4 Ca 0.00 0.91 0.12 0.00 -1.33 0.00 0.00 58.87 58.58 1j2u n SER 4 Cb 0.00 -1.12 0.19 0.00 -0.75 0.00 0.00 64.21 62.53 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 -0.85 0.08 -3.26 2.46 0.24 -1.26 -4.90 118.33 110.84 1j2u n VAL 5 Ca 0.11 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.52 1j2u n VAL 5 Cb 0.39 1.25 -0.08 0.00 -1.47 0.00 0.00 33.84 33.93 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 -1.92 3.25 0.29 6.34 0.40 -1.26 0.17 117.98 125.25 1j2u s PHE 6 Ca 0.31 0.52 0.04 0.00 -0.60 0.00 0.00 56.93 57.21 1j2u s PHE 6 Cb 0.20 -2.73 0.70 0.00 0.51 0.00 0.00 43.02 41.71 1j2u s PHE 6 CO 0.31 -0.31 1.76 0.28 0.70 0.00 0.00 175.22 177.96 1j2u h VAL 7 N 5.43 0.68 0.00 -0.44 2.07 -1.33 0.25 116.25 122.92 1j2u h VAL 7 Ca -0.29 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1j2u h VAL 7 Cb 1.14 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1j2u h VAL 7 CO 0.71 0.13 -0.04 1.23 0.02 0.00 0.00 177.57 179.62 1j2u h GLY 8 N 0.70 0.00 -1.62 2.17 0.00 -1.93 -1.89 103.07 100.50 1j2u h GLY 8 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1j2u h GLY 8 CO -0.40 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.32 1j2u n GLU 9 N -3.60 2.16 -3.98 4.80 1.02 0.07 -4.92 120.64 116.19 1j2u n GLU 9 Ca -0.02 -1.74 -0.22 0.00 -0.02 0.00 0.00 57.16 55.16 1j2u n GLU 9 Cb 0.14 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.60 4.29 0.58 -4.62 1.43 -0.71 -4.93 118.68 113.12 1j2u s LEU 10 Ca 0.35 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1j2u s LEU 10 Cb 0.20 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 1j2u s LEU 10 CO 0.30 -0.05 0.94 0.42 0.23 0.00 0.00 176.35 178.19 1j2u s THR 11 N -1.95 4.44 0.47 5.49 -4.23 -1.26 -4.93 115.64 113.67 1j2u s THR 11 Ca 0.34 0.47 0.15 0.00 -1.18 0.00 0.00 61.69 61.47 1j2u s THR 11 Cb -0.09 -3.75 0.21 0.00 1.34 0.00 0.00 72.50 70.21 1j2u s THR 11 CO 0.29 -0.88 2.04 4.11 -0.54 0.00 0.00 174.62 179.64 1j2u h TRP 12 N -0.17 0.00 -0.35 3.99 5.08 -1.99 -1.62 115.95 120.89 1j2u h TRP 12 Ca -0.45 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.44 1j2u h TRP 12 Cb 1.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 1j2u h TRP 12 CO 0.58 0.13 -0.07 0.87 -1.28 0.00 0.00 178.44 178.67 1j2u h LYS 13 N 0.00 0.66 -0.63 0.12 1.79 -1.99 -0.02 116.57 116.50 1j2u h LYS 13 Ca -0.00 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 1j2u h LYS 13 Cb 0.22 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1j2u h LYS 13 CO 0.02 0.82 0.28 0.93 -1.08 0.00 0.00 179.45 180.42 1j2u h GLU 14 N 0.45 0.93 -0.13 3.15 5.08 -1.83 -1.36 114.58 120.88 1j2u h GLU 14 Ca 0.09 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1j2u h GLU 14 Cb 0.56 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1j2u h GLU 14 CO 0.03 0.76 0.03 -0.92 -1.00 0.00 0.00 179.01 177.92 1j2u h TYR 15 N 0.88 0.21 -0.64 4.33 3.20 -1.23 -2.18 116.97 121.54 1j2u h TYR 15 Ca 0.22 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.14 1j2u h TYR 15 Cb 0.15 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 1j2u h TYR 15 CO 0.01 0.35 0.31 1.49 -1.64 0.00 0.00 178.16 178.68 1j2u h GLU 16 N 0.01 0.54 -0.78 1.82 4.81 -0.79 -0.87 114.58 119.32 1j2u h GLU 16 Ca 0.04 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1j2u h GLU 16 Cb 0.24 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1j2u h GLU 16 CO -0.00 0.36 0.32 0.00 -0.73 0.00 0.00 179.01 178.95 1j2u h ALA 17 N 1.38 1.02 -0.58 2.92 0.00 -1.08 0.14 119.26 123.05 1j2u h ALA 17 Ca 0.30 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1j2u h ALA 17 Cb 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j2u h ALA 17 CO -0.24 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 1j2u h ARG 18 N 1.14 1.07 -0.12 0.00 2.47 -0.72 -2.12 114.38 116.09 1j2u h ARG 18 Ca 0.26 -0.37 -0.12 0.00 -1.26 0.00 0.00 59.98 58.50 1j2u h ARG 18 Cb 0.21 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1j2u h ARG 18 CO -0.02 1.07 -0.44 0.28 0.56 0.00 0.00 179.97 181.41 1j2u h VAL 19 N 0.96 1.32 0.00 2.04 2.07 -0.89 -3.01 116.25 118.74 1j2u h VAL 19 Ca 0.16 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1j2u h VAL 19 Cb 0.62 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1j2u h VAL 19 CO 0.04 0.48 -0.05 0.00 0.02 0.00 0.00 177.57 178.07 1j2u h ALA 20 N 1.29 1.33 -0.16 1.67 0.00 -0.06 -2.13 119.26 121.21 1j2u h ALA 20 Ca 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1j2u h ALA 20 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1j2u h ALA 20 CO 0.07 0.06 0.18 0.00 0.00 0.00 0.00 179.25 179.57 1j2u h ALA 21 N 1.95 1.78 0.00 0.00 0.00 -1.32 -3.46 119.26 118.20 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 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j2u h ALA 21 CO 0.01 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1j2u n GLY 22 N -1.39 1.39 0.53 0.00 0.00 -0.80 -4.85 105.19 100.07 1j2u n GLY 22 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 1.29 -4.71 1.61 3.85 -1.26 -5.02 116.55 112.31 1j2u n ASP 23 Ca 0.00 -2.72 -0.42 0.00 -0.71 0.00 0.00 54.79 50.94 1j2u n ASP 23 Cb 0.00 -0.36 -0.03 0.00 -1.35 0.00 0.00 41.12 39.38 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 1.30 5.34 0.03 0.00 1.01 -1.26 -4.25 120.40 122.58 1j2u s VAL 25 Ca 0.65 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1j2u s VAL 25 Cb -0.36 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1j2u s VAL 25 CO 0.30 0.35 0.11 -0.76 0.00 0.00 0.00 175.10 175.10 1j2u s LEU 26 N 1.05 3.99 -0.05 3.92 1.43 -0.55 -1.68 118.68 126.79 1j2u s LEU 26 Ca 0.07 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1j2u s LEU 26 Cb -0.13 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1j2u s LEU 26 CO 0.04 0.22 -0.14 -0.04 0.23 0.00 0.00 176.35 176.66 1j2u s MET 27 N -2.09 1.72 -0.26 1.70 -1.94 0.60 -0.48 119.30 118.56 1j2u s MET 27 Ca 0.27 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1j2u s MET 27 Cb -0.12 -1.45 0.06 0.00 2.01 0.00 0.00 34.83 35.32 1j2u s MET 27 CO 0.19 0.13 -0.11 -1.17 -0.01 0.00 0.00 175.02 174.05 1j2u s LEU 28 N 0.35 3.38 0.20 -0.03 2.96 0.11 -0.18 118.68 125.47 1j2u s LEU 28 Ca -0.09 -1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 52.20 1j2u s LEU 28 Cb -0.13 -1.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.91 1j2u s LEU 28 CO 0.03 -0.18 1.28 -2.84 -1.32 0.00 0.00 176.35 173.32 1j2u s PRO 29 N 1.13 4.42 -0.19 0.98 0.02 -1.26 -1.17 135.00 138.93 1j2u s PRO 29 Ca -0.07 2.00 -0.00 0.00 0.02 0.00 0.00 61.00 62.95 1j2u s PRO 29 Cb -0.19 -3.21 0.05 0.00 0.02 0.00 0.00 34.50 31.17 1j2u s PRO 29 CO -0.05 -0.20 -0.06 0.08 -0.33 0.00 0.00 177.00 176.44 1j2u s VAL 30 N 0.04 1.30 0.00 3.83 1.01 -0.23 -1.27 120.40 125.09 1j2u s VAL 30 Ca 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1j2u s VAL 30 Cb -0.35 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1j2u s VAL 30 CO 0.38 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1j2u n GLY 31 N 4.79 5.31 3.59 4.51 0.00 -0.20 -0.58 105.19 122.61 1j2u n GLY 31 Ca -0.12 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.00 -1.86 -0.34 4.61 0.00 -1.24 -3.08 121.76 117.86 1j2u s ALA 32 Ca 0.00 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 1j2u s ALA 32 Cb 0.00 0.39 0.06 0.00 0.00 0.00 0.00 23.12 23.57 1j2u s ALA 32 CO 0.00 -0.80 0.07 -1.17 0.00 0.00 0.00 175.76 173.86 1j2u s LEU 33 N -2.60 4.33 -0.13 0.00 2.96 -1.10 -4.09 118.68 118.05 1j2u s LEU 33 Ca 0.08 -1.45 -0.12 0.00 -0.22 0.00 0.00 54.13 52.43 1j2u s LEU 33 Cb -0.01 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.95 1j2u s LEU 33 CO -0.05 -0.35 0.34 -0.70 -1.32 0.00 0.00 176.35 174.28 1j2u s GLU 34 N 1.25 0.39 0.29 1.98 2.12 -0.50 -1.19 118.70 123.04 1j2u s GLU 34 Ca -0.01 0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.53 1j2u s GLU 34 Cb -0.20 0.17 -0.13 0.00 0.26 0.00 0.00 34.13 34.22 1j2u s GLU 34 CO -0.01 -0.06 1.18 0.00 -0.54 0.00 0.00 175.26 175.83 1j2u n GLN 35 N 3.02 1.70 -2.62 4.30 -0.00 -1.26 -4.40 117.38 118.12 1j2u n GLN 35 Ca -0.14 0.60 -0.12 0.00 -0.00 0.00 0.00 57.00 57.34 1j2u n GLN 35 Cb 0.57 -2.09 0.03 0.00 -0.00 0.00 0.00 30.24 28.75 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 0.62 1.72 -1.92 2.61 8.25 -1.26 -4.98 115.22 120.26 1j2u n HIS 36 Ca 0.09 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.87 1j2u n HIS 36 Cb 0.33 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.29 -2.29 0.13 -1.41 0.00 -1.25 -3.85 105.19 96.22 1j2u n GLY 37 Ca 0.17 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.83 -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 -0.04 -2.39 0.86 0.00 0.00 177.93 176.36 1j2u n HIS 39 N -2.47 0.00 -3.91 2.45 1.44 -1.26 -4.88 115.22 106.59 1j2u n HIS 39 Ca 0.05 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.67 1j2u n HIS 39 Cb 0.46 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.49 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 -1.34 0.71 0.95 -1.40 0.00 -1.25 -1.13 119.30 115.84 1j2u s MET 40 Ca 0.17 -0.87 -0.16 0.00 0.00 0.00 0.00 55.69 54.83 1j2u s MET 40 Cb 0.13 0.28 0.19 0.00 0.00 0.00 0.00 34.83 35.43 1j2u s MET 40 CO 0.21 -0.20 1.30 0.00 0.00 0.00 0.00 175.02 176.34 1j2u n MET 42 N -3.74 1.01 -0.52 0.00 0.00 -1.26 -4.17 117.12 108.43 1j2u n MET 42 Ca 0.14 -0.72 0.09 0.00 0.00 0.00 0.00 57.70 57.21 1j2u n MET 42 Cb 0.60 -1.48 0.33 0.00 0.00 0.00 0.00 33.22 32.66 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 -0.36 4.28 -0.25 7.83 2.04 -1.26 -1.41 115.26 126.12 1j2u n ASN 43 Ca 0.11 -2.31 0.04 0.00 -0.44 0.00 0.00 54.58 51.98 1j2u n ASN 43 Cb 0.40 -0.53 0.14 0.00 -2.53 0.00 0.00 39.78 37.26 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 3.89 0.37 0.00 3.53 2.07 -1.83 -0.91 116.25 123.37 1j2u h VAL 44 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1j2u h VAL 44 Cb 1.26 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1j2u h VAL 44 CO 0.16 0.02 0.00 0.44 0.02 0.00 0.00 177.57 178.21 1j2u h ASP 45 N 0.10 0.00 0.00 0.57 3.32 -1.82 -0.89 116.42 117.70 1j2u h ASP 45 Ca 0.39 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.25 1j2u h ASP 45 Cb 0.67 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1j2u h ASP 45 CO -0.64 0.00 -1.12 0.58 -1.72 0.00 0.00 179.24 176.35 1j2u h VAL 46 N 0.00 0.74 -0.56 -1.35 2.07 -1.36 -3.36 116.25 112.43 1j2u h VAL 46 Ca 0.00 -1.95 0.10 0.00 0.82 0.00 0.00 66.70 65.66 1j2u h VAL 46 Cb 0.31 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1j2u h VAL 46 CO 0.00 0.25 0.15 -0.07 0.02 0.00 0.00 177.57 177.92 1j2u h LEU 47 N -1.00 0.07 0.39 2.57 3.38 -0.91 -2.05 115.31 117.76 1j2u h LEU 47 Ca -0.28 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1j2u h LEU 47 Cb 1.15 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1j2u h LEU 47 CO -0.17 0.05 -0.19 -0.07 0.09 0.00 0.00 178.44 178.16 1j2u h LEU 48 N 0.29 -0.44 -1.73 1.67 3.38 -1.41 -0.69 115.31 116.38 1j2u h LEU 48 Ca 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1j2u h LEU 48 Cb 0.38 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1j2u h LEU 48 CO -0.34 -0.10 -0.07 1.55 0.09 0.00 0.00 178.44 179.58 1j2u h PRO 49 N -0.82 0.09 -0.44 1.13 0.13 -1.75 -1.26 132.00 129.08 1j2u h PRO 49 Ca -0.05 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 1j2u h PRO 49 Cb 0.54 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1j2u h PRO 49 CO 0.09 0.16 0.08 1.15 -0.23 0.00 0.00 178.00 179.25 1j2u h THR 50 N 0.09 1.24 -0.58 1.56 2.02 -1.22 0.11 112.91 116.13 1j2u h THR 50 Ca 0.02 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.23 1j2u h THR 50 Cb 0.18 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1j2u h THR 50 CO 0.01 0.30 -0.04 0.00 0.37 0.00 0.00 175.52 176.16 1j2u h ALA 51 N 0.95 0.83 -0.27 6.16 0.00 -0.48 -0.48 119.26 125.96 1j2u h ALA 51 Ca 0.13 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1j2u h ALA 51 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1j2u h ALA 51 CO 0.01 0.67 -0.01 0.28 0.00 0.00 0.00 179.25 180.20 1j2u h VAL 52 N 0.95 1.26 -0.57 0.00 2.07 -1.13 -2.45 116.25 116.36 1j2u h VAL 52 Ca 0.16 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1j2u h VAL 52 Cb 0.60 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1j2u h VAL 52 CO 0.04 0.30 0.25 0.00 0.02 0.00 0.00 177.57 178.17 1j2u h LYS 54 N 0.46 0.18 -0.52 0.00 3.64 -0.93 0.15 116.57 119.54 1j2u h LYS 54 Ca 0.28 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1j2u h LYS 54 Cb 0.28 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1j2u h LYS 54 CO -0.24 0.12 -0.07 0.00 -2.27 0.00 0.00 179.45 176.99 1j2u h ARG 55 N 0.19 0.96 -0.27 1.90 3.08 -1.10 -1.09 114.38 118.05 1j2u h ARG 55 Ca 0.12 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1j2u h ARG 55 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1j2u h ARG 55 CO -0.14 1.01 0.07 0.28 -1.07 0.00 0.00 179.97 180.12 1j2u h VAL 56 N 0.83 1.21 -0.71 2.04 2.07 -0.90 -2.46 116.25 118.33 1j2u h VAL 56 Ca 0.14 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1j2u h VAL 56 Cb 0.62 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1j2u h VAL 56 CO 0.04 0.23 0.43 0.00 0.02 0.00 0.00 177.57 178.29 1j2u h ALA 57 N 0.89 1.41 -0.44 1.67 0.00 -0.53 -0.16 119.26 122.11 1j2u h ALA 57 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j2u h ALA 57 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1j2u h ALA 57 CO 0.00 0.51 0.28 0.93 0.00 0.00 0.00 179.25 180.97 1j2u h GLU 58 N 0.98 0.58 -0.34 0.00 5.08 -1.03 -0.65 114.58 119.21 1j2u h GLU 58 Ca 0.26 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 1j2u h GLU 58 Cb -0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1j2u h GLU 58 CO -0.05 0.40 -0.41 0.00 -1.00 0.00 0.00 179.01 177.95 1j2u h ARG 59 N 0.59 0.85 -0.03 2.33 3.08 -0.83 -3.33 114.38 117.04 1j2u h ARG 59 Ca 0.16 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1j2u h ARG 59 Cb -0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1j2u h ARG 59 CO -0.03 1.10 0.00 0.44 -1.07 0.00 0.00 179.97 180.41 1j2u n ILE 60 N -4.04 0.01 -2.30 2.04 -5.35 -0.17 -4.99 119.36 104.56 1j2u n ILE 60 Ca -0.02 -0.51 -0.03 0.00 -0.27 0.00 0.00 62.75 61.92 1j2u n ILE 60 Cb 0.55 1.35 0.00 0.00 -1.74 0.00 0.00 39.64 39.80 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 0.97 0.43 4.02 3.28 0.00 -0.30 -5.04 105.19 108.55 1j2u n GLY 61 Ca 0.10 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.51 4.64 0.05 4.61 0.00 -0.87 -4.72 121.76 122.96 1j2u s ALA 62 Ca 0.04 -1.97 0.07 0.00 0.00 0.00 0.00 51.96 50.10 1j2u s ALA 62 Cb -0.02 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1j2u s ALA 62 CO 0.04 -0.65 -0.21 -0.51 0.00 0.00 0.00 175.76 174.44 1j2u s LEU 63 N -4.55 2.19 -0.17 0.00 1.43 -0.67 -4.70 118.68 112.21 1j2u s LEU 63 Ca 0.59 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1j2u s LEU 63 Cb -0.07 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 1j2u s LEU 63 CO 0.37 0.14 -0.10 -0.69 0.23 0.00 0.00 176.35 176.30 1j2u s VAL 64 N -0.87 3.16 0.59 -1.59 1.01 0.13 -0.29 120.40 122.54 1j2u s VAL 64 Ca 0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1j2u s VAL 64 Cb -0.09 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1j2u s VAL 64 CO 0.02 0.48 1.02 -0.04 0.00 0.00 0.00 175.10 176.59 1j2u s MET 65 N 0.85 3.63 0.22 2.72 -1.94 0.74 -0.82 119.30 124.71 1j2u s MET 65 Ca -0.03 0.86 -0.32 0.00 -1.71 0.00 0.00 55.69 54.49 1j2u s MET 65 Cb -0.15 -2.09 -0.14 0.00 2.01 0.00 0.00 34.83 34.47 1j2u s MET 65 CO 0.01 -0.54 1.42 -2.30 -0.01 0.00 0.00 175.02 173.60 1j2u n PRO 66 N -2.38 1.99 -1.91 2.03 -0.02 -1.26 -4.48 135.00 128.97 1j2u n PRO 66 Ca 0.06 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.94 1j2u n PRO 66 Cb 0.54 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.38 1.88 -0.25 -1.23 0.00 -1.26 -4.72 107.32 102.12 1j2u s GLY 67 Ca 0.70 0.16 -0.26 0.00 0.00 0.00 0.00 44.72 45.33 1j2u s GLY 67 CO 0.48 0.46 0.92 1.08 0.00 0.00 0.00 173.10 176.04 1j2u s LEU 68 N -4.90 4.08 0.21 0.66 1.43 -0.39 -4.92 118.68 114.84 1j2u s LEU 68 Ca 0.59 1.13 0.18 0.00 -1.03 0.00 0.00 54.13 55.01 1j2u s LEU 68 Cb -0.13 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.78 1j2u s LEU 68 CO 0.45 -0.60 1.16 1.56 0.23 0.00 0.00 176.35 179.15 1j2u h GLN 69 N 7.65 0.00 -5.57 1.70 1.08 -1.89 -0.53 115.11 117.55 1j2u h GLN 69 Ca -0.22 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.34 1j2u h GLN 69 Cb 1.08 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.19 1j2u h GLN 69 CO 0.92 0.24 -0.87 0.71 -0.95 0.00 0.00 178.83 178.88 1j2u s TYR 70 N -3.08 2.22 0.04 2.96 1.51 -1.26 -2.70 117.35 117.03 1j2u s TYR 70 Ca 0.01 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 1j2u s TYR 70 Cb 0.08 -1.48 -0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1j2u s TYR 70 CO 0.77 -0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.36 1j2u n GLY 71 N 3.20 4.13 3.78 0.71 0.00 -1.18 -4.78 105.19 111.05 1j2u n GLY 71 Ca -0.18 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.36 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 -1.26 2.67 0.05 1.61 5.04 -1.26 -0.38 117.35 123.82 1j2u s TYR 72 Ca 0.00 1.54 -0.37 0.00 -2.44 0.00 0.00 57.07 55.80 1j2u s TYR 72 Cb 0.00 -3.08 -0.16 0.00 0.35 0.00 0.00 41.96 39.07 1j2u s TYR 72 CO 0.00 -1.66 1.41 1.63 -1.34 0.00 0.00 175.55 175.59 1j2u n LYS 73 N -2.93 1.24 -1.81 4.97 5.02 -1.24 -4.74 118.16 118.67 1j2u n LYS 73 Ca 0.09 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.42 1j2u n LYS 73 Cb 0.53 -2.11 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 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 0.87 6.39 -0.01 4.39 0.15 -1.26 -4.91 113.70 119.31 1j2u s SER 74 Ca 0.85 2.96 0.02 0.00 0.70 0.00 0.00 55.95 60.49 1j2u s SER 74 Cb -0.94 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 60.69 1j2u s SER 74 CO 0.48 -0.88 -0.03 -1.10 1.20 0.00 0.00 173.24 172.90 1j2u s GLN 75 N -1.02 2.69 0.19 5.44 -1.52 -1.26 -2.03 119.66 122.16 1j2u s GLN 75 Ca 0.59 -0.64 -0.14 0.00 -1.95 0.00 0.00 55.36 53.22 1j2u s GLN 75 Cb -0.47 -2.60 0.20 0.00 -0.22 0.00 0.00 33.01 29.92 1j2u s GLN 75 CO 0.53 0.62 1.65 0.37 -0.25 0.00 0.00 175.29 178.21 1j2u h GLN 76 N 4.56 0.03 0.00 2.91 4.15 -1.92 0.30 115.11 125.14 1j2u h GLN 76 Ca -0.49 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1j2u h GLN 76 Cb 1.17 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1j2u h GLN 76 CO 0.55 0.02 0.00 1.63 -1.93 0.00 0.00 178.83 179.10 1j2u n LYS 77 N -5.35 0.12 -0.01 1.69 5.02 -1.26 -2.20 118.16 116.17 1j2u n LYS 77 Ca 0.06 0.29 -0.01 0.00 -2.02 0.00 0.00 58.31 56.63 1j2u n LYS 77 Cb 0.29 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.93 3.09 -0.00 4.39 3.41 -0.63 -4.80 113.62 117.15 1j2u n SER 78 Ca 0.04 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1j2u n SER 78 Cb 0.25 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 3.31 1.41 0.93 5.00 0.00 0.95 -4.50 105.19 112.29 1j2u n GLY 79 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.37 2.88 0.00 -0.02 0.00 -0.90 -4.82 105.19 101.97 1j2u n GLY 80 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.50 0.09 -0.02 0.00 -1.21 -4.38 105.19 103.17 1j2u n GLY 81 Ca 0.00 -1.70 0.06 0.00 0.00 0.00 0.00 46.02 44.38 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 0.26 0.04 1.61 2.85 -0.86 -3.43 115.26 115.73 1j2u n ASN 82 Ca 0.00 -1.70 0.13 0.00 -0.11 0.00 0.00 54.58 52.90 1j2u n ASN 82 Cb 0.00 -0.02 0.36 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 -0.50 0.32 -2.17 1.20 1.44 -1.26 -4.90 115.22 109.35 1j2u n HIS 83 Ca 0.09 0.09 -0.36 0.00 -2.01 0.00 0.00 57.72 55.53 1j2u n HIS 83 Cb 0.08 -0.56 0.01 0.00 0.12 0.00 0.00 29.99 29.64 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 -3.06 2.60 0.73 -1.40 0.40 -1.22 -5.02 117.98 111.01 1j2u s PHE 84 Ca 0.11 1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 57.83 1j2u s PHE 84 Cb 0.16 -3.38 0.04 0.00 0.51 0.00 0.00 43.02 40.35 1j2u s PHE 84 CO 0.64 -1.81 1.13 -2.14 0.70 0.00 0.00 175.22 173.74 1j2u s PRO 85 N -3.21 2.32 0.00 0.24 0.02 -1.26 -3.90 135.00 129.21 1j2u s PRO 85 Ca 0.73 1.41 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1j2u s PRO 85 Cb -0.27 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1j2u s PRO 85 CO 0.30 -1.62 0.00 0.41 -0.33 0.00 0.00 177.00 175.76 1j2u n GLY 86 N -0.46 1.98 3.68 0.52 0.00 -1.26 -4.64 105.19 105.00 1j2u n GLY 86 Ca 0.11 -0.26 -0.53 0.00 0.00 0.00 0.00 46.02 45.34 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 0.28 -3.85 2.61 -1.04 -1.25 -4.66 114.28 106.37 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 -1.33 -0.16 0.00 -1.82 0.00 0.00 70.33 67.02 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 2.81 1.24 0.14 12.58 2.01 -0.34 -4.98 115.64 129.11 1j2u s THR 88 Ca 0.92 -1.28 0.09 0.00 0.31 0.00 0.00 61.69 61.73 1j2u s THR 88 Cb -0.92 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1j2u s THR 88 CO 0.56 -0.35 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.55 1j2u s SER 89 N 1.49 4.04 0.29 3.53 0.01 -1.26 -4.42 113.70 117.37 1j2u s SER 89 Ca 0.02 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 1j2u s SER 89 Cb -0.18 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 1j2u s SER 89 CO -0.12 0.15 0.52 -0.76 0.41 0.00 0.00 173.24 173.44 1j2u s LEU 90 N -2.38 4.08 0.67 2.44 1.43 0.49 -4.87 118.68 120.53 1j2u s LEU 90 Ca 0.21 0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 53.73 1j2u s LEU 90 Cb -0.10 -3.40 0.01 0.00 0.03 0.00 0.00 46.19 42.73 1j2u s LEU 90 CO 0.12 -0.19 1.12 -1.81 0.23 0.00 0.00 176.35 175.82 1j2u s ASP 91 N -3.42 4.97 0.23 2.29 -0.00 -1.26 -3.67 116.67 115.81 1j2u s ASP 91 Ca 0.42 2.05 -0.07 0.00 -0.00 0.00 0.00 52.55 54.95 1j2u s ASP 91 Cb -0.10 -2.56 0.32 0.00 -0.00 0.00 0.00 42.92 40.58 1j2u s ASP 91 CO 0.32 -1.73 1.81 1.23 -0.00 0.00 0.00 175.17 176.80 1j2u h GLY 92 N -0.02 1.14 1.77 0.21 0.00 -1.98 -2.00 103.07 102.20 1j2u h GLY 92 Ca -0.47 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 1j2u h GLY 92 CO 0.53 0.15 -0.12 0.00 0.00 0.00 0.00 176.54 177.11 1j2u h ALA 93 N 1.40 1.47 -0.25 3.60 0.00 -1.98 0.63 119.26 124.13 1j2u h ALA 93 Ca 0.35 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1j2u h ALA 93 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1j2u h ALA 93 CO -0.21 0.38 -0.18 1.15 0.00 0.00 0.00 179.25 180.38 1j2u h THR 94 N 0.27 1.31 -0.18 0.00 2.02 -1.76 -0.61 112.91 113.97 1j2u h THR 94 Ca 0.05 -1.31 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 1j2u h THR 94 Cb 0.39 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1j2u h THR 94 CO 0.02 0.41 -0.10 0.25 0.37 0.00 0.00 175.52 176.47 1j2u h LEU 95 N 0.28 0.39 -0.56 2.58 5.85 -1.10 -1.70 115.31 121.05 1j2u h LEU 95 Ca 0.05 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.42 1j2u h LEU 95 Cb 0.72 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1j2u h LEU 95 CO 0.05 0.73 0.23 0.74 -0.34 0.00 0.00 178.44 179.85 1j2u h THR 96 N 0.05 0.85 -0.41 1.05 2.02 -0.88 -2.17 112.91 113.42 1j2u h THR 96 Ca 0.04 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1j2u h THR 96 Cb 0.59 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1j2u h THR 96 CO 0.03 0.08 0.01 1.23 0.37 0.00 0.00 175.52 177.24 1j2u h GLY 97 N 0.44 0.70 0.81 2.16 0.00 -0.97 -0.97 103.07 105.24 1j2u h GLY 97 Ca 0.27 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1j2u h GLY 97 CO -0.24 0.40 0.02 -0.84 0.00 0.00 0.00 176.54 175.89 1j2u h THR 98 N 0.62 1.22 -0.65 4.70 2.02 -0.77 -0.62 112.91 119.44 1j2u h THR 98 Ca 0.13 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1j2u h THR 98 Cb 0.37 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1j2u h THR 98 CO 0.01 0.21 0.41 0.58 0.37 0.00 0.00 175.52 177.09 1j2u h VAL 99 N 0.02 1.18 -0.53 3.16 2.07 -1.23 -2.17 116.25 118.75 1j2u h VAL 99 Ca 0.04 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1j2u h VAL 99 Cb 0.29 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1j2u h VAL 99 CO 0.00 0.18 0.29 -0.61 0.02 0.00 0.00 177.57 177.45 1j2u h GLN 100 N 0.87 0.74 -0.44 1.57 4.15 -1.02 -1.68 115.11 119.30 1j2u h GLN 100 Ca 0.23 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 1j2u h GLN 100 Cb -0.06 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1j2u h GLN 100 CO -0.05 0.57 0.12 -0.44 -1.93 0.00 0.00 178.83 177.10 1j2u h ASP 101 N 0.70 0.66 -0.54 -0.69 3.32 -0.93 -1.83 116.42 117.11 1j2u h ASP 101 Ca 0.19 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1j2u h ASP 101 Cb 0.05 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1j2u h ASP 101 CO -0.03 0.71 0.25 0.40 -1.72 0.00 0.00 179.24 178.85 1j2u h ILE 102 N 0.58 1.21 -0.44 0.35 2.04 -1.17 -1.61 117.51 118.47 1j2u h ILE 102 Ca 0.14 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1j2u h ILE 102 Cb 0.30 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1j2u h ILE 102 CO -0.00 0.24 0.18 0.40 0.00 0.00 0.00 178.15 178.97 1j2u h ILE 103 N 0.73 1.20 -0.55 -0.67 2.04 -1.16 -0.25 117.51 118.86 1j2u h ILE 103 Ca 0.18 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.54 1j2u h ILE 103 Cb 0.14 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1j2u h ILE 103 CO -0.02 0.23 0.07 -0.09 0.00 0.00 0.00 178.15 178.34 1j2u h ARG 104 N 0.56 0.19 -0.39 2.37 2.43 -1.11 -0.99 114.38 117.44 1j2u h ARG 104 Ca 0.15 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1j2u h ARG 104 Cb 0.18 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1j2u h ARG 104 CO -0.01 0.13 -0.16 0.93 -1.51 0.00 0.00 179.97 179.35 1j2u h GLU 105 N 0.20 0.79 -0.70 0.20 4.39 -0.86 -1.70 114.58 116.89 1j2u h GLU 105 Ca 0.28 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1j2u h GLU 105 Cb 0.42 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1j2u h GLU 105 CO -0.40 0.95 0.29 -0.07 -1.16 0.00 0.00 179.01 178.63 1j2u h LEU 106 N 0.59 0.95 -0.81 1.33 3.38 -0.74 -1.22 115.31 118.79 1j2u h LEU 106 Ca 0.09 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1j2u h LEU 106 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1j2u h LEU 106 CO 0.05 0.84 -0.00 0.00 0.09 0.00 0.00 178.44 179.41 1j2u h ALA 107 N 1.30 1.00 -0.93 1.53 0.00 -1.10 -1.48 119.26 119.59 1j2u h ALA 107 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j2u h ALA 107 Cb 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1j2u h ALA 107 CO -0.02 0.61 0.59 -0.09 0.00 0.00 0.00 179.25 180.34 1j2u h ARG 108 N 0.83 1.24 0.00 0.00 2.43 -0.39 -0.88 114.38 117.60 1j2u h ARG 108 Ca 0.15 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1j2u h ARG 108 Cb 0.50 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1j2u h ARG 108 CO 0.02 0.84 -0.02 0.45 -1.51 0.00 0.00 179.97 179.76 1j2u h HIS 109 N 1.27 0.00 0.00 2.20 3.86 -0.68 -3.46 115.15 118.34 1j2u h HIS 109 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1j2u h HIS 109 Cb -0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1j2u h HIS 109 CO -0.00 0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.22 1j2u n GLY 110 N -0.90 0.63 3.77 2.45 0.00 -0.34 -4.98 105.19 105.83 1j2u n GLY 110 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 2.65 0.00 4.61 0.00 -0.61 -4.94 121.76 121.47 1j2u s ALA 111 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1j2u s ALA 111 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1j2u s ALA 111 CO 0.00 -0.87 0.24 0.54 0.00 0.00 0.00 175.76 175.68 1j2u n ARG 112 N -1.43 0.00 -3.77 0.00 5.12 -1.26 -4.18 116.66 111.15 1j2u n ARG 112 Ca 0.12 -0.24 -0.24 0.00 -1.93 0.00 0.00 57.85 55.55 1j2u n ARG 112 Cb 0.51 -0.43 -0.17 0.00 -1.16 0.00 0.00 32.46 31.20 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 0.00 0.65 -0.02 5.56 0.52 -1.26 -1.19 118.95 123.21 1j2u s ARG 113 Ca 0.00 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 1j2u s ARG 113 Cb 0.00 -1.31 0.01 0.00 0.52 0.00 0.00 34.95 34.17 1j2u s ARG 113 CO 0.00 -0.39 -0.05 -1.17 0.02 0.00 0.00 175.30 173.71 1j2u s LEU 114 N 1.93 1.74 -0.19 2.53 2.96 -0.61 -1.48 118.68 125.56 1j2u s LEU 114 Ca 0.03 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1j2u s LEU 114 Cb -0.14 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.23 1j2u s LEU 114 CO -0.06 0.02 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.18 1j2u s VAL 115 N 0.26 2.76 -0.27 1.68 1.01 0.37 -0.54 120.40 125.68 1j2u s VAL 115 Ca -0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1j2u s VAL 115 Cb -0.07 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1j2u s VAL 115 CO -0.00 0.48 0.27 -0.76 0.00 0.00 0.00 175.10 175.09 1j2u s LEU 116 N 1.27 4.04 -0.40 3.92 1.02 0.47 0.06 118.68 129.06 1j2u s LEU 116 Ca 0.03 0.14 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 1j2u s LEU 116 Cb -0.14 -2.25 0.07 0.00 0.02 0.00 0.00 46.19 43.89 1j2u s LEU 116 CO -0.06 -0.09 0.22 -0.32 0.02 0.00 0.00 176.35 176.12 1j2u s MET 117 N 1.78 2.59 0.04 1.70 1.75 -0.31 -1.54 119.30 125.30 1j2u s MET 117 Ca 0.11 -1.40 -0.24 0.00 -1.25 0.00 0.00 55.69 52.91 1j2u s MET 117 Cb -0.16 -3.71 -0.05 0.00 2.84 0.00 0.00 34.83 33.75 1j2u s MET 117 CO 0.10 -0.89 0.74 1.21 -0.65 0.00 0.00 175.02 175.53 1j2u s ASN 118 N 1.92 7.17 0.00 1.11 2.47 -0.31 -1.06 114.94 126.25 1j2u s ASN 118 Ca 0.02 1.40 0.08 0.00 0.42 0.00 0.00 52.86 54.78 1j2u s ASN 118 Cb -0.22 -2.45 0.02 0.00 -1.45 0.00 0.00 41.25 37.15 1j2u s ASN 118 CO 0.02 0.03 0.62 0.61 -3.72 0.00 0.00 177.10 174.66 1j2u n GLY 119 N 2.39 -0.38 2.70 1.21 0.00 0.26 -3.85 105.19 107.52 1j2u n GLY 119 Ca -0.03 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.95 1.00 0.27 1.61 5.65 -1.25 -4.71 115.29 116.91 1j2u s HIS 120 Ca 0.07 -0.97 -0.06 0.00 0.25 0.00 0.00 55.06 54.36 1j2u s HIS 120 Cb 0.06 -1.10 0.50 0.00 -1.18 0.00 0.00 32.58 30.86 1j2u s HIS 120 CO 0.15 -0.67 1.59 -0.92 -0.65 0.00 0.00 174.74 174.24 1j2u h TYR 121 N 8.25 -0.26 -0.02 3.88 3.20 -1.95 0.40 116.97 130.48 1j2u h TYR 121 Ca -0.16 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1j2u h TYR 121 Cb 1.09 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 1j2u h TYR 121 CO 0.29 -0.36 0.14 0.93 -1.64 0.00 0.00 178.16 177.52 1j2u h GLU 122 N 0.03 0.00 0.00 1.82 3.07 -1.91 -2.41 114.58 115.17 1j2u h GLU 122 Ca 0.47 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.30 1j2u h GLU 122 Cb 0.83 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1j2u h GLU 122 CO -0.86 0.00 -0.17 -0.91 -1.40 0.00 0.00 179.01 175.66 1j2u h ASN 123 N 0.00 0.00 -0.72 1.42 2.35 -1.23 -3.40 115.58 114.00 1j2u h ASN 123 Ca 0.01 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1j2u h ASN 123 Cb 0.30 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.54 1j2u h ASN 123 CO -0.00 0.17 -0.42 0.28 -1.65 0.00 0.00 177.43 175.81 1j2u h SER 124 N 0.00 -1.48 0.94 5.81 0.02 -1.60 -1.67 113.55 115.56 1j2u h SER 124 Ca -0.00 0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1j2u h SER 124 Cb 0.65 0.71 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1j2u h SER 124 CO 0.02 -0.31 -0.36 0.24 -1.14 0.00 0.00 176.83 175.29 1j2u h MET 125 N -0.14 0.00 0.02 3.45 2.86 -1.86 -1.98 114.93 117.28 1j2u h MET 125 Ca 0.23 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.66 1j2u h MET 125 Cb 0.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1j2u h MET 125 CO -0.78 0.36 -0.94 0.74 1.06 0.00 0.00 176.91 177.35 1j2u h PHE 126 N 0.00 0.19 -0.17 -0.22 -1.00 -1.62 -1.71 116.94 112.41 1j2u h PHE 126 Ca -0.00 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 1j2u h PHE 126 Cb 0.92 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 1j2u h PHE 126 CO 0.00 0.99 0.08 0.82 -1.61 0.00 0.00 178.31 178.59 1j2u h ILE 127 N 0.05 1.14 -0.29 -0.55 2.04 -1.13 -1.04 117.51 117.74 1j2u h ILE 127 Ca -0.04 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1j2u h ILE 127 Cb 1.62 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 1j2u h ILE 127 CO 0.14 0.13 -0.04 0.58 0.00 0.00 0.00 178.15 178.97 1j2u h VAL 128 N 0.14 0.75 -0.62 1.67 2.07 -1.25 -0.59 116.25 118.43 1j2u h VAL 128 Ca 0.06 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1j2u h VAL 128 Cb 0.14 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1j2u h VAL 128 CO -0.01 0.01 0.13 -0.08 0.02 0.00 0.00 177.57 177.64 1j2u h GLU 129 N 0.04 1.00 -0.75 1.57 4.57 -1.24 -0.96 114.58 118.82 1j2u h GLU 129 Ca 0.14 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1j2u h GLU 129 Cb 0.20 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 1j2u h GLU 129 CO -0.27 0.92 0.49 0.78 -1.18 0.00 0.00 179.01 179.75 1j2u h GLY 130 N 0.91 1.07 0.95 1.92 0.00 -0.79 -1.10 103.07 106.02 1j2u h GLY 130 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1j2u h GLY 130 CO 0.01 0.36 0.14 -2.22 0.00 0.00 0.00 176.54 174.83 1j2u h ILE 131 N 0.99 1.12 -0.55 2.60 2.04 -0.80 -1.65 117.51 121.26 1j2u h ILE 131 Ca 0.28 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1j2u h ILE 131 Cb -0.08 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1j2u h ILE 131 CO -0.07 0.12 0.36 -0.78 0.00 0.00 0.00 178.15 177.77 1j2u h ASP 132 N 0.29 0.61 -0.41 1.72 1.82 -0.68 0.28 116.42 120.05 1j2u h ASP 132 Ca 0.09 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.61 1j2u h ASP 132 Cb 0.06 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 1j2u h ASP 132 CO -0.01 0.44 -0.12 -0.07 -1.61 0.00 0.00 179.24 177.86 1j2u h LEU 133 N 0.72 0.87 -0.39 2.28 3.38 -1.14 0.19 115.31 121.23 1j2u h LEU 133 Ca 0.21 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1j2u h LEU 133 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1j2u h LEU 133 CO -0.06 1.00 -0.10 0.00 0.09 0.00 0.00 178.44 179.37 1j2u h ALA 134 N 1.08 0.54 -0.30 1.53 0.00 -0.93 -2.33 119.26 118.85 1j2u h ALA 134 Ca 0.13 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1j2u h ALA 134 Cb 0.64 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1j2u h ALA 134 CO 0.04 0.41 -0.16 -0.07 0.00 0.00 0.00 179.25 179.47 1j2u h LEU 135 N 0.56 0.51 -0.47 0.00 3.38 -0.67 -1.59 115.31 117.03 1j2u h LEU 135 Ca 0.10 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1j2u h LEU 135 Cb 0.62 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1j2u h LEU 135 CO 0.04 0.69 0.28 -0.09 0.09 0.00 0.00 178.44 179.46 1j2u h ARG 136 N 0.48 0.55 -0.39 1.13 2.43 -0.83 -0.79 114.38 116.95 1j2u h ARG 136 Ca 0.08 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1j2u h ARG 136 Cb 0.55 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1j2u h ARG 136 CO 0.04 0.37 -0.12 0.93 -1.51 0.00 0.00 179.97 179.67 1j2u h GLU 137 N 0.57 0.70 -0.56 0.20 5.08 -1.09 -2.35 114.58 117.15 1j2u h GLU 137 Ca 0.19 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1j2u h GLU 137 Cb 0.01 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1j2u h GLU 137 CO -0.08 0.80 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.62 1j2u h LEU 138 N 0.64 0.98 -1.54 1.33 3.38 -0.94 -2.57 115.31 116.59 1j2u h LEU 138 Ca 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1j2u h LEU 138 Cb 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1j2u h LEU 138 CO 0.04 1.06 0.14 -0.09 0.09 0.00 0.00 178.44 179.67 1j2u h ARG 139 N 0.90 0.44 0.00 1.13 2.43 -0.80 0.17 114.38 118.65 1j2u h ARG 139 Ca 0.16 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1j2u h ARG 139 Cb 0.58 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1j2u h ARG 139 CO 0.04 0.36 -0.02 1.88 -1.51 0.00 0.00 179.97 180.72 1j2u h TYR 140 N 0.45 0.00 -0.54 2.20 0.05 -1.01 -1.22 116.97 116.89 1j2u h TYR 140 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1j2u h TYR 140 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1j2u h TYR 140 CO 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 178.16 177.14 1j2u n ALA 141 N -2.26 3.09 -1.39 3.88 0.00 0.41 -4.92 120.51 119.33 1j2u n ALA 141 Ca -0.03 -1.72 -0.11 0.00 0.00 0.00 0.00 53.44 51.58 1j2u n ALA 141 Cb 0.11 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 0.72 1.17 3.51 0.00 0.00 -0.46 -5.00 105.19 105.13 1j2u n GLY 142 Ca 0.24 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.43 4.75 -0.01 -0.61 1.01 -0.24 -4.92 121.20 118.75 1j2u s ILE 143 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1j2u s ILE 143 Cb 0.00 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.25 1j2u s ILE 143 CO 0.00 0.30 0.75 0.00 0.00 0.00 0.00 174.94 175.99 1j2u n GLN 144 N 4.95 0.86 -0.35 2.79 6.02 -1.26 -2.98 117.38 127.42 1j2u n GLN 144 Ca -0.15 -0.98 0.09 0.00 -0.01 0.00 0.00 57.00 55.95 1j2u n GLN 144 Cb 0.52 -0.70 0.26 0.00 1.02 0.00 0.00 30.24 31.34 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 -0.23 3.72 -4.67 1.08 3.85 -1.26 -4.90 116.55 114.14 1j2u n ASP 145 Ca 0.01 -2.16 -0.41 0.00 -0.71 0.00 0.00 54.79 51.53 1j2u n ASP 145 Cb 0.48 -0.41 -0.05 0.00 -1.35 0.00 0.00 41.12 39.78 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 -1.29 3.42 -0.05 2.11 2.19 -1.26 -4.83 117.98 118.26 1j2u s PHE 146 Ca 0.39 1.13 0.06 0.00 0.33 0.00 0.00 56.93 58.84 1j2u s PHE 146 Cb 0.22 -2.91 -0.01 0.00 -1.31 0.00 0.00 43.02 39.01 1j2u s PHE 146 CO 0.23 -0.19 -0.25 0.21 1.83 0.00 0.00 175.22 177.06 1j2u s LYS 147 N 1.93 2.51 -0.07 10.12 2.20 -0.34 -5.02 119.74 131.07 1j2u s LYS 147 Ca 0.34 -0.90 0.04 0.00 -0.36 0.00 0.00 55.97 55.09 1j2u s LYS 147 Cb -0.16 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1j2u s LYS 147 CO 0.12 0.40 -0.19 0.08 -0.36 0.00 0.00 175.35 175.40 1j2u s VAL 148 N -0.21 1.62 -0.16 4.02 1.01 -1.26 -1.58 120.40 123.84 1j2u s VAL 148 Ca -0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1j2u s VAL 148 Cb -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1j2u s VAL 148 CO 0.03 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.87 1j2u s VAL 149 N 0.37 3.84 -0.08 2.92 1.01 0.30 -5.00 120.40 123.75 1j2u s VAL 149 Ca -0.14 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1j2u s VAL 149 Cb -0.16 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1j2u s VAL 149 CO 0.06 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 1j2u s VAL 150 N 0.48 2.74 0.00 2.92 1.01 -1.26 -0.39 120.40 125.90 1j2u s VAL 150 Ca -0.03 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 1j2u s VAL 150 Cb -0.14 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1j2u s VAL 150 CO 0.03 0.56 0.49 -1.48 0.00 0.00 0.00 175.10 174.70 1j2u s LEU 151 N -0.16 0.10 -0.15 3.92 0.05 -0.59 -4.97 118.68 116.88 1j2u s LEU 151 Ca -0.02 0.26 -0.05 0.00 0.05 0.00 0.00 54.13 54.37 1j2u s LEU 151 Cb -0.14 1.94 -0.03 0.00 -2.05 0.00 0.00 46.19 45.91 1j2u s LEU 151 CO 0.04 -0.61 0.02 -0.44 -0.55 0.00 0.00 176.35 174.81 1j2u s SER 152 N -1.60 5.30 0.48 1.48 0.01 -1.26 -1.16 113.70 116.95 1j2u s SER 152 Ca -0.09 0.03 0.15 0.00 1.31 0.00 0.00 55.95 57.35 1j2u s SER 152 Cb -0.02 -1.82 1.11 0.00 0.21 0.00 0.00 66.02 65.50 1j2u s SER 152 CO 0.03 0.22 2.06 0.10 0.41 0.00 0.00 173.24 176.05 1j2u h TYR 153 N 6.37 0.02 0.00 2.43 -0.00 -1.95 -1.83 116.97 122.01 1j2u h TYR 153 Ca -0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.34 1j2u h TYR 153 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 36.73 37.90 1j2u h TYR 153 CO 0.57 0.11 -0.04 0.11 -0.00 0.00 0.00 178.16 178.91 1j2u h TRP 154 N 0.02 0.00 0.00 0.10 0.09 -1.95 -2.48 115.95 111.73 1j2u h TRP 154 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j2u h TRP 154 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.41 1j2u h TRP 154 CO 0.00 0.04 0.00 -0.25 0.09 0.00 0.00 178.44 178.32 1j2u n ASP 155 N -3.20 0.00 -1.15 0.11 8.00 -0.69 -2.64 116.55 116.99 1j2u n ASP 155 Ca -0.01 -0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.45 1j2u n ASP 155 Cb 0.26 -0.17 0.22 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.17 0.50 -3.09 1.24 3.01 -0.93 -4.42 117.46 112.59 1j2u n PHE 156 Ca 0.09 -0.25 -0.40 0.00 1.01 0.00 0.00 57.45 57.90 1j2u n PHE 156 Cb 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.56 1j2u n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1j2u n VAL 157 N 1.47 4.78 -0.06 -4.37 0.31 -1.08 -4.58 118.33 114.79 1j2u n VAL 157 Ca 0.19 -5.80 -0.22 0.00 -0.01 0.00 0.00 64.34 58.50 1j2u n VAL 157 Cb 0.60 -2.09 -0.13 0.00 -0.91 0.00 0.00 33.84 31.32 1j2u n VAL 157 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1j2u n LYS 158 N 1.24 0.68 -1.60 5.55 4.76 -1.26 -4.89 118.16 122.63 1j2u n LYS 158 Ca 0.27 0.30 -0.53 0.00 -2.87 0.00 0.00 58.31 55.48 1j2u n LYS 158 Cb 0.35 -1.65 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 1j2u n LYS 158 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1j2u n ASP 159 N -3.72 2.55 0.02 4.39 2.03 -1.26 -4.84 116.55 115.73 1j2u n ASP 159 Ca -0.38 0.81 0.17 0.00 0.52 0.00 0.00 54.79 55.91 1j2u n ASP 159 Cb 0.94 -1.24 0.65 0.00 -0.72 0.00 0.00 41.12 40.75 1j2u n ASP 159 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j2u h PRO 160 N 9.62 0.06 -0.27 -0.67 0.13 -1.98 0.10 132.00 138.99 1j2u h PRO 160 Ca -0.40 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.61 1j2u h PRO 160 Cb 1.31 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1j2u h PRO 160 CO 0.98 0.04 -0.33 0.00 -0.23 0.00 0.00 178.00 178.46 1j2u h ALA 161 N 1.77 0.90 -0.20 -0.56 0.00 -1.99 0.13 119.26 119.30 1j2u h ALA 161 Ca 0.22 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1j2u h ALA 161 Cb 0.80 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1j2u h ALA 161 CO -0.02 0.62 -0.27 0.28 0.00 0.00 0.00 179.25 179.86 1j2u h VAL 162 N 0.50 1.33 -0.70 0.00 2.07 -1.25 -2.57 116.25 115.63 1j2u h VAL 162 Ca 0.06 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1j2u h VAL 162 Cb 0.82 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 1j2u h VAL 162 CO 0.07 0.45 0.42 0.40 0.02 0.00 0.00 177.57 178.93 1j2u h ILE 163 N 0.21 1.04 -0.75 4.57 1.08 -0.80 -1.02 117.51 121.84 1j2u h ILE 163 Ca 0.02 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1j2u h ILE 163 Cb 0.85 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1j2u h ILE 163 CO 0.06 0.15 0.47 -0.61 -0.69 0.00 0.00 178.15 177.53 1j2u h GLN 164 N 0.80 0.88 -0.71 2.37 4.15 -0.64 0.42 115.11 122.38 1j2u h GLN 164 Ca 0.30 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 1j2u h GLN 164 Cb 0.10 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1j2u h GLN 164 CO -0.14 0.58 0.16 1.96 -1.93 0.00 0.00 178.83 179.46 1j2u h GLN 165 N 0.91 1.14 -0.02 1.69 4.20 -0.94 -2.79 115.11 119.29 1j2u h GLN 165 Ca 0.30 -0.28 -0.20 0.00 0.06 0.00 0.00 58.65 58.53 1j2u h GLN 165 Cb 0.03 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1j2u h GLN 165 CO -0.12 1.01 -0.86 -0.07 -0.67 0.00 0.00 178.83 178.12 1j2u h LEU 166 N 1.08 0.43 -6.24 1.46 3.38 -0.60 -3.39 115.31 111.42 1j2u h LEU 166 Ca 0.22 -0.33 -0.59 0.00 0.09 0.00 0.00 57.88 57.28 1j2u h LEU 166 Cb 0.39 -0.13 -0.41 0.00 0.09 0.00 0.00 40.66 40.60 1j2u h LEU 166 CO 0.00 1.11 -0.79 -1.22 0.09 0.00 0.00 178.44 177.63 1j2u n TYR 167 N -3.75 1.89 0.26 1.13 4.02 0.14 -4.95 117.16 115.91 1j2u n TYR 167 Ca -0.05 -3.91 0.12 0.00 -0.01 0.00 0.00 57.90 54.05 1j2u n TYR 167 Cb 0.79 -0.43 0.71 0.00 -0.02 0.00 0.00 39.34 40.39 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 4.37 0.00 -0.65 -0.72 0.11 -1.70 -1.43 132.00 131.98 1j2u h PRO 168 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1j2u h PRO 168 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1j2u h PRO 168 CO 0.66 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 178.95 1j2u n GLU 169 N -3.79 3.91 -0.00 1.05 -0.58 -1.26 -4.99 120.64 114.96 1j2u n GLU 169 Ca -0.02 -2.53 0.00 0.00 -0.42 0.00 0.00 57.16 54.19 1j2u n GLU 169 Cb 0.22 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 1j2u n GLU 169 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j2u n GLY 170 N 0.69 1.53 3.67 0.62 0.00 -0.54 -5.02 105.19 106.15 1j2u n GLY 170 Ca 0.23 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.03 3.42 -2.20 1.61 5.36 -1.26 -4.95 117.98 119.93 1j2u s PHE 171 Ca 0.00 0.96 0.20 0.00 -0.96 0.00 0.00 56.93 57.13 1j2u s PHE 171 Cb 0.00 -2.76 0.53 0.00 -0.34 0.00 0.00 43.02 40.45 1j2u s PHE 171 CO 0.00 -0.09 1.44 1.28 -1.46 0.00 0.00 175.22 176.39 1j2u n LEU 172 N 4.70 2.96 0.00 6.12 4.77 -1.26 -5.05 117.00 129.23 1j2u n LEU 172 Ca -0.02 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1j2u n LEU 172 Cb 0.50 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1j2u n LEU 172 CO 0.44 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1j2u n GLY 173 N 1.40 2.71 0.18 -0.72 0.00 -1.26 -4.84 105.19 102.66 1j2u n GLY 173 Ca 0.19 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 1.61 4.06 -2.00 -3.31 115.95 116.31 1j2u h TRP 174 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1j2u h TRP 174 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1j2u h TRP 174 CO 0.00 0.00 -0.05 -0.44 -3.56 0.00 0.00 178.44 174.39 1j2u h ASP 175 N 0.00 0.00 -0.46 -3.49 3.45 -1.94 -2.40 116.42 111.58 1j2u h ASP 175 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1j2u h ASP 175 Cb 0.89 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 1j2u h ASP 175 CO 0.00 0.05 0.00 2.30 -1.57 0.00 0.00 179.24 180.02 1j2u n ILE 176 N -3.43 1.26 -1.41 0.35 -5.35 -1.25 -4.70 119.36 104.84 1j2u n ILE 176 Ca -0.02 -1.13 -0.25 0.00 -0.27 0.00 0.00 62.75 61.08 1j2u n ILE 176 Cb 0.17 0.36 -0.08 0.00 -1.74 0.00 0.00 39.64 38.35 1j2u n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1j2u n GLU 177 N 0.72 2.67 -3.70 6.28 -0.58 -0.90 -3.13 120.64 121.99 1j2u n GLU 177 Ca 0.17 -2.11 -0.39 0.00 -0.42 0.00 0.00 57.16 54.42 1j2u n GLU 177 Cb 0.58 -2.21 -0.12 0.00 -0.57 0.00 0.00 31.44 29.13 1j2u n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1j2u s HIS 178 N -0.63 3.27 -0.38 -0.32 5.65 -1.26 -4.50 115.29 117.12 1j2u s HIS 178 Ca 0.61 -1.35 0.00 0.00 0.25 0.00 0.00 55.06 54.57 1j2u s HIS 178 Cb 0.33 -2.41 0.00 0.00 -1.18 0.00 0.00 32.58 29.32 1j2u s HIS 178 CO -0.13 -0.73 0.00 0.41 -0.65 0.00 0.00 174.74 173.64 1j2u n GLY 179 N 4.86 0.65 0.00 1.59 0.00 -1.26 -1.84 105.19 109.19 1j2u n GLY 179 Ca -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.16 1.66 0.26 -0.02 0.00 -1.26 -4.31 105.19 99.37 1j2u n GLY 180 Ca -0.04 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 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 1.21 0.85 1.61 2.07 -1.85 -2.13 116.25 118.01 1j2u h VAL 181 Ca 0.00 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1j2u h VAL 181 Cb 0.00 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1j2u h VAL 181 CO 0.00 0.24 -0.41 0.15 0.02 0.00 0.00 177.57 177.57 1j2u h PHE 182 N 0.84 -1.05 -0.66 1.57 3.04 -1.94 -0.82 116.94 117.92 1j2u h PHE 182 Ca 0.21 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 1j2u h PHE 182 Cb 0.10 0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 1j2u h PHE 182 CO -0.00 -0.66 0.15 0.93 -2.02 0.00 0.00 178.31 176.71 1j2u h GLU 183 N -1.17 1.07 -0.64 1.11 5.08 -1.86 -2.51 114.58 115.66 1j2u h GLU 183 Ca -0.12 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 1j2u h GLU 183 Cb 0.87 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1j2u h GLU 183 CO 0.19 0.96 0.09 1.15 -1.00 0.00 0.00 179.01 180.40 1j2u h THR 184 N 0.99 1.26 -0.36 1.13 2.02 -1.40 -1.57 112.91 114.99 1j2u h THR 184 Ca 0.21 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 1j2u h THR 184 Cb 0.38 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1j2u h THR 184 CO 0.00 0.38 0.09 0.28 0.37 0.00 0.00 175.52 176.64 1j2u h SER 185 N 0.98 0.54 -0.63 4.18 0.02 -1.03 0.16 113.55 117.77 1j2u h SER 185 Ca 0.19 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1j2u h SER 185 Cb 0.44 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1j2u h SER 185 CO 0.01 0.63 0.37 -0.07 -1.14 0.00 0.00 176.83 176.64 1j2u h LEU 186 N 0.43 0.59 -0.63 5.07 3.38 -1.25 -1.83 115.31 121.06 1j2u h LEU 186 Ca 0.11 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1j2u h LEU 186 Cb 0.30 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1j2u h LEU 186 CO 0.00 0.40 0.15 0.24 0.09 0.00 0.00 178.44 179.32 1j2u h MET 187 N 0.72 1.02 -0.42 1.13 2.86 -0.95 -0.77 114.93 118.51 1j2u h MET 187 Ca 0.26 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1j2u h MET 187 Cb 0.07 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1j2u h MET 187 CO -0.13 0.93 0.28 -0.07 1.06 0.00 0.00 176.91 178.98 1j2u h LEU 188 N 0.94 0.45 -0.04 1.22 3.38 -0.21 0.41 115.31 121.45 1j2u h LEU 188 Ca 0.20 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.90 1j2u h LEU 188 Cb 0.37 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.02 1j2u h LEU 188 CO 0.00 0.32 -1.04 0.00 0.09 0.00 0.00 178.44 177.82 1j2u h ALA 189 N 1.74 0.19 0.03 1.53 0.00 -0.86 -3.34 119.26 118.56 1j2u h ALA 189 Ca 0.16 -0.71 -0.37 0.00 0.00 0.00 0.00 54.91 53.99 1j2u h ALA 189 Cb -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1j2u h ALA 189 CO -0.04 0.73 -2.14 1.28 0.00 0.00 0.00 179.25 179.09 1j2u n LEU 190 N -3.81 2.44 -3.18 0.00 4.77 -0.34 -4.77 117.00 112.10 1j2u n LEU 190 Ca -0.10 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 1j2u n LEU 190 Cb 0.88 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1j2u n LEU 190 CO 0.55 0.71 -0.21 -1.22 -1.33 0.00 0.00 177.39 175.88 1j2u n TYR 191 N -3.78 0.40 0.10 -1.77 4.01 0.14 -4.97 117.16 111.30 1j2u n TYR 191 Ca -0.42 -3.77 0.17 0.00 -0.16 0.00 0.00 57.90 53.73 1j2u n TYR 191 Cb 0.92 -0.41 0.72 0.00 -0.31 0.00 0.00 39.34 40.27 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 3.34 0.00 0.00 -0.72 0.13 -1.63 -0.08 132.00 133.04 1j2u h PRO 192 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1j2u h PRO 192 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1j2u h PRO 192 CO 0.52 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.04 1j2u n ASP 193 N -4.21 0.67 -0.88 1.44 10.43 -1.26 -2.43 116.55 120.31 1j2u n ASP 193 Ca 0.05 0.66 0.11 0.00 2.57 0.00 0.00 54.79 58.18 1j2u n ASP 193 Cb 0.45 -0.80 0.28 0.00 1.84 0.00 0.00 41.12 42.89 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 -2.23 2.61 -4.16 0.64 4.77 -0.04 -4.86 117.00 113.73 1j2u n LEU 194 Ca 0.02 -1.15 -0.25 0.00 -0.03 0.00 0.00 56.01 54.60 1j2u n LEU 194 Cb 0.24 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 1j2u n LEU 194 CO 0.20 0.57 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.64 1j2u s VAL 195 N -1.58 1.39 -0.41 4.08 1.01 -1.02 -2.93 120.40 120.95 1j2u s VAL 195 Ca 0.35 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1j2u s VAL 195 Cb 0.20 -1.17 0.13 0.00 0.00 0.00 0.00 36.38 35.53 1j2u s VAL 195 CO 0.28 0.40 0.20 -0.62 0.00 0.00 0.00 175.10 175.36 1j2u s ASP 196 N -0.30 3.76 0.59 3.32 -1.08 -0.28 -4.97 116.67 117.71 1j2u s ASP 196 Ca 0.04 -2.41 0.30 0.00 -0.52 0.00 0.00 52.55 49.97 1j2u s ASP 196 Cb -0.08 -1.02 1.82 0.00 -1.46 0.00 0.00 42.92 42.19 1j2u s ASP 196 CO -0.00 -0.30 2.24 0.25 0.52 0.00 0.00 175.17 177.88 1j2u h LEU 197 N 7.03 0.00 -1.80 -1.34 5.85 -1.96 -1.37 115.31 121.72 1j2u h LEU 197 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1j2u h LEU 197 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1j2u h LEU 197 CO 0.48 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.02 1j2u h ASP 198 N 0.00 0.00 0.04 1.25 3.32 -1.95 -2.55 116.42 116.53 1j2u h ASP 198 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1j2u h ASP 198 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1j2u h ASP 198 CO -0.00 0.00 -0.05 0.54 -1.72 0.00 0.00 179.24 178.01 1j2u n ARG 199 N -2.95 1.45 -1.79 3.56 1.74 -0.52 -4.91 116.66 113.25 1j2u n ARG 199 Ca -0.00 -0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 55.84 1j2u n ARG 199 Cb 0.22 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.11 2.27 -0.30 1.55 1.01 -0.96 -4.38 120.40 117.47 1j2u s VAL 200 Ca 0.36 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 1j2u s VAL 200 Cb 0.21 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1j2u s VAL 200 CO 0.38 0.01 0.47 -0.69 0.00 0.00 0.00 175.10 175.27 1j2u s VAL 201 N 1.34 5.08 -1.32 2.92 1.01 -1.26 -5.00 120.40 123.17 1j2u s VAL 201 Ca 0.74 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 63.20 1j2u s VAL 201 Cb -0.47 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.19 1j2u s VAL 201 CO 0.32 -0.02 2.06 -0.67 0.00 0.00 0.00 175.10 176.80 1j2u n ASP 202 N 5.56 5.69 -4.93 3.32 2.03 -1.26 -4.73 116.55 122.23 1j2u n ASP 202 Ca -0.06 -3.06 -0.25 0.00 0.52 0.00 0.00 54.79 51.94 1j2u n ASP 202 Cb 0.50 -1.48 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 0.47 3.41 0.75 -0.67 -3.43 -1.26 -5.02 115.29 109.54 1j2u s HIS 203 Ca 0.44 0.53 -0.12 0.00 -0.80 0.00 0.00 55.06 55.11 1j2u s HIS 203 Cb 0.12 -2.28 0.05 0.00 -1.43 0.00 0.00 32.58 29.04 1j2u s HIS 203 CO -0.03 -0.29 1.11 -1.25 -2.00 0.00 0.00 174.74 172.28 1j2u s PRO 204 N -4.64 2.28 0.39 -0.38 0.04 -1.26 -4.15 135.00 127.28 1j2u s PRO 204 Ca 0.47 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 1j2u s PRO 204 Cb -0.10 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1j2u s PRO 204 CO 0.41 -1.65 1.32 -2.30 0.04 0.00 0.00 177.00 174.83 1j2u n PRO 205 N -3.20 2.15 -2.36 0.56 -0.02 -1.26 -4.80 135.00 126.06 1j2u n PRO 205 Ca 0.10 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 1j2u n PRO 205 Cb 0.52 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.15 3.36 0.10 3.55 0.00 -0.36 -5.02 121.76 122.25 1j2u s ALA 206 Ca 0.57 0.98 0.05 0.00 0.00 0.00 0.00 51.96 53.57 1j2u s ALA 206 Cb -0.52 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1j2u s ALA 206 CO 0.61 -0.34 -0.13 0.95 0.00 0.00 0.00 175.76 176.84 1j2u s THR 207 N -1.23 1.19 0.05 0.00 -4.23 -1.26 -4.94 115.64 105.22 1j2u s THR 207 Ca 0.49 -1.56 -0.04 0.00 -1.18 0.00 0.00 61.69 59.39 1j2u s THR 207 Cb -0.33 -1.34 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 1j2u s THR 207 CO 0.43 -0.37 0.05 -0.36 -0.54 0.00 0.00 174.62 173.83 1j2u s PHE 208 N -1.89 0.31 0.84 3.99 0.40 -1.26 -5.05 117.98 115.32 1j2u s PHE 208 Ca 0.05 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.53 1j2u s PHE 208 Cb -0.06 -0.22 0.09 0.00 0.51 0.00 0.00 43.02 43.34 1j2u s PHE 208 CO 0.02 -0.38 1.10 -1.25 0.70 0.00 0.00 175.22 175.41 1j2u s PRO 209 N -3.19 1.76 0.00 0.24 0.04 -1.26 -4.91 135.00 127.68 1j2u s PRO 209 Ca 0.00 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1j2u s PRO 209 Cb 0.02 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1j2u s PRO 209 CO -0.07 -1.85 1.25 -0.35 0.04 0.00 0.00 177.00 176.02 1j2u n PRO 210 N -3.59 0.88 -3.97 0.56 -0.04 -1.26 -4.75 135.00 122.83 1j2u n PRO 210 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1j2u n PRO 210 Cb 0.56 -1.06 -0.05 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.17 0.26 0.12 0.54 -0.85 -1.26 -5.18 117.35 111.16 1j2u s TYR 211 Ca 0.00 -0.64 0.09 0.00 -0.52 0.00 0.00 57.07 56.00 1j2u s TYR 211 Cb 0.00 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 1j2u s TYR 211 CO 0.00 -1.02 -0.21 -0.51 -1.52 0.00 0.00 175.55 172.29 1j2u s ASP 212 N -3.00 2.68 -0.04 -0.18 1.11 -1.26 -5.11 116.67 110.88 1j2u s ASP 212 Ca 0.20 -0.74 0.05 0.00 0.18 0.00 0.00 52.55 52.24 1j2u s ASP 212 Cb -0.01 -0.16 -0.01 0.00 1.07 0.00 0.00 42.92 43.81 1j2u s ASP 212 CO 0.08 0.05 -0.20 -0.69 1.18 0.00 0.00 175.17 175.59 1j2u s VAL 213 N -1.40 1.61 -0.03 -1.27 1.01 -1.26 -5.12 120.40 113.93 1j2u s VAL 213 Ca 0.10 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1j2u s VAL 213 Cb -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1j2u s VAL 213 CO 0.05 0.46 -0.11 -0.36 0.00 0.00 0.00 175.10 175.14 1j2u s PHE 214 N -0.09 1.16 0.64 5.22 0.08 -1.26 -3.39 117.98 120.35 1j2u s PHE 214 Ca -0.02 -0.31 -0.17 0.00 0.12 0.00 0.00 56.93 56.54 1j2u s PHE 214 Cb -0.12 -0.82 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 1j2u s PHE 214 CO 0.02 -0.13 1.21 -1.25 -0.10 0.00 0.00 175.22 174.98 1j2u s PRO 215 N 0.19 2.70 0.22 0.24 0.04 -1.26 -5.08 135.00 132.04 1j2u s PRO 215 Ca -0.04 1.81 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 1j2u s PRO 215 Cb -0.10 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1j2u s PRO 215 CO 0.01 -1.42 1.52 0.54 0.04 0.00 0.00 177.00 177.69 1j2u s VAL 216 N -1.71 2.58 -0.47 -0.36 0.11 -1.22 -4.96 120.40 114.36 1j2u s VAL 216 Ca 0.77 0.45 -0.22 0.00 -2.93 0.00 0.00 61.98 60.04 1j2u s VAL 216 Cb -0.30 -3.29 0.03 0.00 -1.53 0.00 0.00 36.38 31.29 1j2u s VAL 216 CO 0.37 0.06 0.76 -0.62 -3.33 0.00 0.00 175.10 172.34 1j2u s ASP 217 N 0.73 6.35 0.58 3.54 3.68 -1.26 -4.96 116.67 125.34 1j2u s ASP 217 Ca 0.65 -0.31 0.28 0.00 2.13 0.00 0.00 52.55 55.30 1j2u s ASP 217 Cb -0.43 -2.37 1.74 0.00 -1.45 0.00 0.00 42.92 40.41 1j2u s ASP 217 CO 0.38 -0.93 2.24 -0.65 0.13 0.00 0.00 175.17 176.34 1j2u h PRO 218 N 9.01 0.00 0.00 4.34 0.11 -1.96 -2.23 132.00 141.28 1j2u h PRO 218 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1j2u h PRO 218 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1j2u h PRO 218 CO 0.97 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.66 1j2u h ALA 219 N 1.99 1.48 0.00 -0.75 0.00 -2.00 -2.45 119.26 117.53 1j2u h ALA 219 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1j2u h ALA 219 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j2u h ALA 219 CO -0.00 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.91 1j2u n ARG 220 N -3.89 0.08 -3.91 0.00 1.74 -0.84 -4.66 116.66 105.19 1j2u n ARG 220 Ca -0.02 0.19 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 1j2u n ARG 220 Cb 0.19 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 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 -3.08 5.22 0.28 0.55 2.01 -0.93 -4.89 115.64 114.81 1j2u s THR 221 Ca 0.10 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1j2u s THR 221 Cb 0.13 -3.31 -0.13 0.00 0.01 0.00 0.00 72.50 69.19 1j2u s THR 221 CO 0.44 0.54 1.27 -2.65 -0.69 0.00 0.00 174.62 173.53 1j2u n PRO 222 N 2.72 1.87 -0.31 4.92 -0.02 -1.26 -4.84 135.00 138.08 1j2u n PRO 222 Ca -0.18 0.66 0.15 0.00 -2.02 0.00 0.00 63.50 62.11 1j2u n PRO 222 Cb 0.53 -2.22 0.32 0.00 -0.02 0.00 0.00 33.50 32.12 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 3.15 1.36 0.00 3.55 0.00 -1.91 0.11 119.26 125.52 1j2u h ALA 223 Ca -0.44 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1j2u h ALA 223 Cb 1.30 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1j2u h ALA 223 CO 0.68 -0.54 0.00 -1.35 0.00 0.00 0.00 179.25 178.04 1j2u h PRO 224 N 0.15 0.00 0.00 0.00 0.11 -1.97 -3.47 132.00 126.82 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1j2u h PRO 224 CO -0.72 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.48 1j2u n GLY 225 N -0.06 1.67 3.83 -0.55 0.00 0.38 -3.78 105.19 106.69 1j2u n GLY 225 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.47 4.48 -1.79 2.61 -4.23 -1.26 -4.51 115.64 108.47 1j2u s THR 226 Ca 0.00 1.30 0.23 0.00 -1.18 0.00 0.00 61.69 62.04 1j2u s THR 226 Cb 0.00 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1j2u s THR 226 CO 0.00 -0.41 1.08 0.18 -0.54 0.00 0.00 174.62 174.94 1j2u n LEU 227 N -0.87 1.74 -3.46 4.79 4.77 -0.76 -4.41 117.00 118.80 1j2u n LEU 227 Ca 0.06 -0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 55.24 1j2u n LEU 227 Cb 0.54 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1j2u n LEU 227 CO 0.40 0.34 0.41 -0.94 -1.33 0.00 0.00 177.39 176.27 1j2u s SER 228 N -2.59 -0.60 0.09 -1.43 1.04 -1.18 -1.22 113.70 107.80 1j2u s SER 228 Ca 0.17 0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 1j2u s SER 228 Cb 0.18 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.82 1j2u s SER 228 CO 0.63 -0.84 1.06 -0.55 0.98 0.00 0.00 173.24 174.51 1j2u s SER 229 N -2.21 7.31 -0.12 7.02 0.15 -1.26 -4.00 113.70 120.59 1j2u s SER 229 Ca -0.03 1.88 0.13 0.00 0.70 0.00 0.00 55.95 58.64 1j2u s SER 229 Cb -0.01 -2.59 0.60 0.00 -1.71 0.00 0.00 66.02 62.32 1j2u s SER 229 CO -0.05 -0.25 1.47 0.00 1.20 0.00 0.00 173.24 175.61 1j2u n ALA 230 N 3.24 3.19 -0.31 5.45 0.00 -1.26 -3.92 120.51 126.90 1j2u n ALA 230 Ca 0.05 -1.34 0.12 0.00 0.00 0.00 0.00 53.44 52.26 1j2u n ALA 230 Cb 0.48 -1.05 0.29 0.00 0.00 0.00 0.00 19.45 19.17 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 3.25 0.50 -0.35 0.00 3.64 -1.93 -0.73 116.57 120.96 1j2u h LYS 231 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j2u h LYS 231 Cb 1.37 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1j2u h LYS 231 CO 0.26 0.33 0.00 0.25 -2.27 0.00 0.00 179.45 178.02 1j2u n THR 232 N -4.95 0.46 -1.72 1.00 -2.24 -1.26 -4.94 114.28 100.64 1j2u n THR 232 Ca 0.21 -0.53 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 1j2u n THR 232 Cb 0.58 0.38 0.07 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.54 2.35 0.11 6.98 0.00 -0.28 -5.02 121.76 124.36 1j2u s ALA 233 Ca 0.31 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 1j2u s ALA 233 Cb 0.17 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1j2u s ALA 233 CO 0.23 -1.62 0.45 -1.54 0.00 0.00 0.00 175.76 173.27 1j2u s SER 234 N -1.45 -0.32 0.23 0.00 1.04 -1.26 -4.95 113.70 106.99 1j2u s SER 234 Ca 0.82 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 57.02 1j2u s SER 234 Cb -0.37 0.49 0.32 0.00 0.10 0.00 0.00 66.02 66.56 1j2u s SER 234 CO 0.40 -0.83 1.79 -0.09 0.98 0.00 0.00 173.24 175.50 1j2u h ARG 235 N 2.46 0.64 -0.63 4.02 2.43 -1.86 -1.69 114.38 119.75 1j2u h ARG 235 Ca -0.33 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 1j2u h ARG 235 Cb 1.25 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1j2u h ARG 235 CO 0.44 0.42 0.15 0.93 -1.51 0.00 0.00 179.97 180.41 1j2u h GLU 236 N 0.66 1.02 -0.89 0.20 3.07 -1.96 -0.07 114.58 116.61 1j2u h GLU 236 Ca 0.35 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1j2u h GLU 236 Cb 0.32 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 1j2u h GLU 236 CO -0.24 0.92 0.54 0.87 -1.40 0.00 0.00 179.01 179.70 1j2u h LYS 237 N 0.93 1.21 -0.72 2.33 1.57 -1.82 -1.79 116.57 118.28 1j2u h LYS 237 Ca 0.20 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1j2u h LYS 237 Cb 0.37 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1j2u h LYS 237 CO 0.00 0.85 0.21 0.78 -0.57 0.00 0.00 179.45 180.72 1j2u h GLY 238 N 1.23 1.22 1.11 3.86 0.00 -0.66 -1.28 103.07 108.54 1j2u h GLY 238 Ca 0.32 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1j2u h GLY 238 CO -0.06 0.68 0.16 0.83 0.00 0.00 0.00 176.54 178.14 1j2u h GLU 239 N 1.08 1.10 0.13 4.80 5.08 -0.62 -0.88 114.58 125.28 1j2u h GLU 239 Ca 0.23 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1j2u h GLU 239 Cb 0.32 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1j2u h GLU 239 CO -0.00 0.98 -0.06 1.25 -1.00 0.00 0.00 179.01 180.17 1j2u h LEU 240 N 1.04 -0.15 -0.61 1.33 5.85 -1.02 -1.69 115.31 120.07 1j2u h LEU 240 Ca 0.22 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1j2u h LEU 240 Cb 0.38 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1j2u h LEU 240 CO 0.00 0.11 0.19 0.40 -0.34 0.00 0.00 178.44 178.80 1j2u h ILE 241 N -0.41 0.72 -0.16 4.05 2.04 -1.14 -0.32 117.51 122.29 1j2u h ILE 241 Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1j2u h ILE 241 Cb 0.33 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1j2u h ILE 241 CO 0.03 0.06 0.10 0.25 0.00 0.00 0.00 178.15 178.60 1j2u h LEU 242 N 0.35 0.18 -0.63 1.44 5.85 -1.01 0.12 115.31 121.62 1j2u h LEU 242 Ca 0.32 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 1j2u h LEU 242 Cb 0.43 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1j2u h LEU 242 CO -0.35 0.15 0.20 -0.33 -0.34 0.00 0.00 178.44 177.77 1j2u h GLU 243 N 0.20 0.98 -0.16 1.25 4.39 -0.72 -0.23 114.58 120.30 1j2u h GLU 243 Ca 0.06 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1j2u h GLU 243 Cb -0.01 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1j2u h GLU 243 CO -0.01 0.86 -0.04 0.28 -1.16 0.00 0.00 179.01 178.95 1j2u h VAL 244 N 0.91 1.29 -0.11 3.13 2.07 -0.82 -2.02 116.25 120.69 1j2u h VAL 244 Ca 0.20 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1j2u h VAL 244 Cb 0.29 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1j2u h VAL 244 CO -0.01 0.29 0.06 0.00 0.02 0.00 0.00 177.57 177.93 1j2u h VAL 246 N 0.07 1.13 -0.29 0.00 2.07 -1.06 -1.15 116.25 117.01 1j2u h VAL 246 Ca 0.04 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1j2u h VAL 246 Cb 0.09 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1j2u h VAL 246 CO -0.01 0.12 0.08 -0.61 0.02 0.00 0.00 177.57 177.18 1j2u h GLN 247 N 0.66 0.46 -0.51 1.57 5.75 -1.23 -1.14 115.11 120.68 1j2u h GLN 247 Ca 0.18 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1j2u h GLN 247 Cb -0.08 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1j2u h GLN 247 CO -0.04 0.53 0.26 0.78 -2.65 0.00 0.00 178.83 177.70 1j2u h GLY 248 N 0.30 0.77 1.00 2.39 0.00 -1.07 -1.24 103.07 105.23 1j2u h GLY 248 Ca 0.09 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 1j2u h GLY 248 CO -0.00 0.35 -0.29 -2.22 0.00 0.00 0.00 176.54 174.39 1j2u h ILE 249 N 0.67 1.29 -0.73 2.60 2.04 -1.20 -1.36 117.51 120.82 1j2u h ILE 249 Ca 0.18 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.62 1j2u h ILE 249 Cb 0.10 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1j2u h ILE 249 CO -0.02 0.47 0.46 0.00 0.00 0.00 0.00 178.15 179.06 1j2u h ALA 250 N 0.73 0.96 -0.39 1.87 0.00 -1.04 -0.22 119.26 121.18 1j2u h ALA 250 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1j2u h ALA 250 Cb 0.86 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1j2u h ALA 250 CO 0.07 0.24 0.11 -0.44 0.00 0.00 0.00 179.25 179.23 1j2u h ASP 251 N 0.90 0.58 -0.40 0.00 3.32 -1.06 -1.48 116.42 118.27 1j2u h ASP 251 Ca 0.30 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1j2u h ASP 251 Cb 0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1j2u h ASP 251 CO -0.11 0.64 0.23 0.00 -1.72 0.00 0.00 179.24 178.28 1j2u h ALA 252 N 0.95 0.51 -0.63 3.45 0.00 -0.84 -1.40 119.26 121.30 1j2u h ALA 252 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1j2u h ALA 252 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1j2u h ALA 252 CO -0.00 0.02 0.14 0.82 0.00 0.00 0.00 179.25 180.23 1j2u h ILE 253 N 0.52 1.26 -0.26 0.00 2.04 -1.00 -1.43 117.51 118.63 1j2u h ILE 253 Ca 0.14 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1j2u h ILE 253 Cb 0.03 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1j2u h ILE 253 CO -0.02 0.35 0.01 0.03 0.00 0.00 0.00 178.15 178.52 1j2u h ARG 254 N 0.93 0.39 -0.12 2.37 3.08 -1.00 0.39 114.38 120.41 1j2u h ARG 254 Ca 0.20 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1j2u h ARG 254 Cb 0.37 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1j2u h ARG 254 CO 0.00 0.41 0.01 1.49 -1.07 0.00 0.00 179.97 180.81 1j2u h GLU 255 N 0.38 0.20 0.01 0.04 4.57 -0.76 -2.86 114.58 116.16 1j2u h GLU 255 Ca 0.09 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 58.01 1j2u h GLU 255 Cb 0.24 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1j2u h GLU 255 CO 0.00 0.42 -0.95 0.93 -1.18 0.00 0.00 179.01 178.24 1j2u h GLU 256 N -0.05 0.05 -2.35 1.92 4.39 -0.93 -3.38 114.58 114.22 1j2u h GLU 256 Ca 0.03 -0.07 -0.59 0.00 0.34 0.00 0.00 59.36 59.07 1j2u h GLU 256 Cb 0.33 0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 28.60 1j2u h GLU 256 CO 0.00 0.96 -0.80 1.19 -1.16 0.00 0.00 179.01 179.20 1j2u n PHE 257 N -3.47 1.62 -1.83 4.33 3.72 0.13 -5.09 117.46 116.87 1j2u n PHE 257 Ca -0.01 -3.87 -0.39 0.00 -0.05 0.00 0.00 57.45 53.13 1j2u n PHE 257 Cb 0.88 -0.37 0.03 0.00 -0.94 0.00 0.00 39.48 39.09 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 -1.46 3.29 0.00 -1.08 0.02 -1.08 -4.52 135.00 130.17 1j2u s PRO 258 Ca 0.34 2.23 0.08 0.00 0.02 0.00 0.00 61.00 63.67 1j2u s PRO 258 Cb 0.10 -2.34 0.48 0.00 0.02 0.00 0.00 34.50 32.76 1j2u s PRO 258 CO -0.11 -1.07 0.93 -2.30 -0.33 0.00 0.00 177.00 174.13