#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 -1.52 -0.71 4.39 2.88 -1.26 -4.90 113.62 112.50 1j2u n SER 4 Ca 0.00 0.69 0.12 0.00 -1.33 0.00 0.00 58.87 58.35 1j2u n SER 4 Cb 0.00 -0.65 0.19 0.00 -0.75 0.00 0.00 64.21 63.00 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 -0.39 0.00 -3.18 2.46 0.24 -1.26 -4.91 118.33 111.29 1j2u n VAL 5 Ca 0.10 -0.37 -0.40 0.00 -2.04 0.00 0.00 64.34 61.63 1j2u n VAL 5 Cb 0.24 1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 33.69 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 -2.13 3.32 0.29 6.34 0.40 -1.26 0.23 117.98 125.17 1j2u s PHE 6 Ca 0.28 0.79 0.02 0.00 -0.60 0.00 0.00 56.93 57.42 1j2u s PHE 6 Cb 0.20 -2.76 0.61 0.00 0.51 0.00 0.00 43.02 41.58 1j2u s PHE 6 CO 0.38 -0.22 1.81 0.28 0.70 0.00 0.00 175.22 178.17 1j2u h VAL 7 N 5.28 0.84 0.00 -0.44 2.07 -1.25 -1.42 116.25 121.33 1j2u h VAL 7 Ca -0.30 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1j2u h VAL 7 Cb 1.14 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1j2u h VAL 7 CO 0.75 0.17 -0.05 1.23 0.02 0.00 0.00 177.57 179.68 1j2u h GLY 8 N 0.90 0.00 -1.60 2.17 0.00 -1.93 -1.34 103.07 101.27 1j2u h GLY 8 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1j2u h GLY 8 CO -0.31 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.41 1j2u n GLU 9 N -3.69 2.12 -4.02 4.80 1.02 -0.54 -4.91 120.64 115.41 1j2u n GLU 9 Ca -0.02 -1.69 -0.25 0.00 -0.02 0.00 0.00 57.16 55.17 1j2u n GLU 9 Cb 0.15 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.43 4.08 0.65 -4.62 1.43 -0.51 -4.95 118.68 113.33 1j2u s LEU 10 Ca 0.35 0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 1j2u s LEU 10 Cb 0.19 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1j2u s LEU 10 CO 0.28 0.04 1.03 0.42 0.23 0.00 0.00 176.35 178.34 1j2u s THR 11 N -1.80 4.00 0.40 5.49 -4.23 -1.26 -4.92 115.64 113.31 1j2u s THR 11 Ca 0.33 0.52 0.15 0.00 -1.18 0.00 0.00 61.69 61.51 1j2u s THR 11 Cb -0.10 -3.62 0.15 0.00 1.34 0.00 0.00 72.50 70.26 1j2u s THR 11 CO 0.26 -0.78 1.92 4.11 -0.54 0.00 0.00 174.62 179.58 1j2u h TRP 12 N -0.42 0.00 -0.43 3.99 5.08 -1.99 -1.79 115.95 120.39 1j2u h TRP 12 Ca -0.45 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.44 1j2u h TRP 12 Cb 1.23 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.38 1j2u h TRP 12 CO 0.55 0.27 -0.05 0.87 -1.28 0.00 0.00 178.44 178.80 1j2u h LYS 13 N 0.00 0.80 -0.58 0.12 1.79 -1.99 -0.31 116.57 116.40 1j2u h LYS 13 Ca -0.00 -0.28 -0.06 0.00 -2.18 0.00 0.00 60.65 58.12 1j2u h LYS 13 Cb 0.50 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1j2u h LYS 13 CO 0.04 0.90 0.12 0.93 -1.08 0.00 0.00 179.45 180.35 1j2u h GLU 14 N 0.63 0.95 -0.06 3.15 5.08 -1.82 -0.32 114.58 122.19 1j2u h GLU 14 Ca 0.12 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1j2u h GLU 14 Cb 0.57 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1j2u h GLU 14 CO 0.03 0.89 0.02 -0.92 -1.00 0.00 0.00 179.01 178.04 1j2u h TYR 15 N 0.85 0.10 -0.75 4.33 3.20 -1.26 -1.42 116.97 122.02 1j2u h TYR 15 Ca 0.18 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.13 1j2u h TYR 15 Cb 0.39 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 1j2u h TYR 15 CO 0.03 0.26 0.40 1.49 -1.64 0.00 0.00 178.16 178.69 1j2u h GLU 16 N -0.10 0.66 -0.62 1.82 4.81 -0.86 -0.63 114.58 119.66 1j2u h GLU 16 Ca 0.02 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1j2u h GLU 16 Cb 0.21 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1j2u h GLU 16 CO -0.00 0.43 0.16 0.00 -0.73 0.00 0.00 179.01 178.88 1j2u h ALA 17 N 1.43 0.82 -0.68 2.92 0.00 -0.82 0.65 119.26 123.58 1j2u h ALA 17 Ca 0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1j2u h ALA 17 Cb 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1j2u h ALA 17 CO -0.25 0.52 0.28 0.00 0.00 0.00 0.00 179.25 179.80 1j2u h ARG 18 N 0.91 1.02 -0.17 0.00 2.47 -0.48 -2.28 114.38 115.83 1j2u h ARG 18 Ca 0.20 -0.18 -0.15 0.00 -1.26 0.00 0.00 59.98 58.59 1j2u h ARG 18 Cb 0.34 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1j2u h ARG 18 CO -0.00 0.84 -0.52 0.28 0.56 0.00 0.00 179.97 181.13 1j2u h VAL 19 N 0.97 1.33 0.00 2.04 2.07 -0.88 -3.04 116.25 118.74 1j2u h VAL 19 Ca 0.23 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 1j2u h VAL 19 Cb 0.20 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1j2u h VAL 19 CO -0.02 0.54 -0.04 0.00 0.02 0.00 0.00 177.57 178.07 1j2u h ALA 20 N 1.06 1.58 0.00 1.67 0.00 -0.43 -2.64 119.26 120.50 1j2u h ALA 20 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j2u h ALA 20 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1j2u h ALA 20 CO 0.09 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1j2u h ALA 21 N 1.96 1.00 0.00 0.00 0.00 -1.30 -3.47 119.26 117.44 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j2u h ALA 21 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1j2u n GLY 22 N -0.81 2.78 1.67 0.00 0.00 -0.99 -4.87 105.19 102.96 1j2u n GLY 22 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 0.41 2.59 -4.70 1.61 3.85 -1.26 -5.01 116.55 114.04 1j2u n ASP 23 Ca 0.00 -3.14 -0.42 0.00 -0.71 0.00 0.00 54.79 50.52 1j2u n ASP 23 Cb 0.00 -0.42 -0.03 0.00 -1.35 0.00 0.00 41.12 39.32 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 1.94 5.28 0.03 0.00 1.01 -1.26 -4.26 120.40 123.13 1j2u s VAL 25 Ca 0.65 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1j2u s VAL 25 Cb -0.34 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1j2u s VAL 25 CO 0.28 0.44 -0.01 -0.76 0.00 0.00 0.00 175.10 175.06 1j2u s LEU 26 N 0.37 3.43 -0.05 3.92 1.43 -0.48 -1.27 118.68 126.03 1j2u s LEU 26 Ca 0.07 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1j2u s LEU 26 Cb -0.11 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1j2u s LEU 26 CO -0.02 0.25 -0.13 -0.04 0.23 0.00 0.00 176.35 176.64 1j2u s MET 27 N -1.77 1.54 -0.23 1.70 -1.94 0.36 -0.43 119.30 118.53 1j2u s MET 27 Ca 0.21 -0.45 0.01 0.00 -1.71 0.00 0.00 55.69 53.75 1j2u s MET 27 Cb -0.11 -1.33 0.06 0.00 2.01 0.00 0.00 34.83 35.46 1j2u s MET 27 CO 0.12 0.13 -0.08 -1.17 -0.01 0.00 0.00 175.02 174.01 1j2u s LEU 28 N 0.32 2.71 0.17 -0.03 2.96 0.50 0.01 118.68 125.31 1j2u s LEU 28 Ca -0.08 -1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.38 1j2u s LEU 28 Cb -0.12 -1.29 -0.07 0.00 0.50 0.00 0.00 46.19 45.21 1j2u s LEU 28 CO 0.02 -0.20 1.15 -2.84 -1.32 0.00 0.00 176.35 173.16 1j2u s PRO 29 N 1.32 4.54 -0.25 0.98 0.02 -1.26 -1.09 135.00 139.26 1j2u s PRO 29 Ca -0.05 1.78 0.02 0.00 0.02 0.00 0.00 61.00 62.76 1j2u s PRO 29 Cb -0.18 -3.27 0.06 0.00 0.02 0.00 0.00 34.50 31.13 1j2u s PRO 29 CO -0.06 -0.02 -0.06 0.08 -0.33 0.00 0.00 177.00 176.60 1j2u s VAL 30 N -0.02 1.80 0.00 3.83 1.01 -0.22 -1.31 120.40 125.49 1j2u s VAL 30 Ca 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1j2u s VAL 30 Cb -0.30 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1j2u s VAL 30 CO 0.35 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1j2u n GLY 31 N 4.56 4.36 3.63 4.51 0.00 -0.21 -0.62 105.19 121.41 1j2u n GLY 31 Ca -0.12 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.25 -1.85 -0.31 4.61 0.00 -1.23 -2.82 121.76 117.91 1j2u s ALA 32 Ca 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 1j2u s ALA 32 Cb 0.00 0.43 0.05 0.00 0.00 0.00 0.00 23.12 23.60 1j2u s ALA 32 CO 0.00 -0.87 0.03 -1.17 0.00 0.00 0.00 175.76 173.76 1j2u s LEU 33 N -2.70 4.06 -0.12 0.00 2.96 -1.13 -4.19 118.68 117.56 1j2u s LEU 33 Ca 0.10 -1.28 -0.11 0.00 -0.22 0.00 0.00 54.13 52.62 1j2u s LEU 33 Cb -0.00 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.97 1j2u s LEU 33 CO -0.03 -0.29 0.31 -0.70 -1.32 0.00 0.00 176.35 174.32 1j2u s GLU 34 N 1.28 0.36 0.23 1.98 2.12 -0.41 -1.36 118.70 122.90 1j2u s GLU 34 Ca -0.04 0.46 -0.31 0.00 0.36 0.00 0.00 54.97 55.44 1j2u s GLU 34 Cb -0.20 0.15 -0.15 0.00 0.26 0.00 0.00 34.13 34.20 1j2u s GLU 34 CO -0.00 -0.06 1.17 0.00 -0.54 0.00 0.00 175.26 175.83 1j2u n GLN 35 N 3.05 1.43 -2.60 4.30 -0.00 -1.26 -4.37 117.38 117.92 1j2u n GLN 35 Ca -0.14 0.51 -0.14 0.00 -0.00 0.00 0.00 57.00 57.23 1j2u n GLN 35 Cb 0.57 -2.00 0.02 0.00 -0.00 0.00 0.00 30.24 28.84 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 1.13 1.86 -3.56 2.61 8.25 -1.26 -4.98 115.22 119.27 1j2u n HIS 36 Ca 0.12 -2.80 0.00 0.00 -0.26 0.00 0.00 57.72 54.78 1j2u n HIS 36 Cb 0.29 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.12 0.06 -1.41 0.00 -1.24 -3.71 105.19 96.52 1j2u n GLY 37 Ca 0.19 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.88 1j2u n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j2u n HIS 38 N -0.08 0.51 0.53 1.61 8.25 -1.26 -4.26 115.22 120.52 1j2u n HIS 38 Ca 0.00 0.15 0.06 0.00 -0.26 0.00 0.00 57.72 57.67 1j2u n HIS 38 Cb 0.00 -0.67 -0.00 0.00 1.12 0.00 0.00 29.99 30.44 1j2u n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1j2u n HIS 39 N -1.97 0.00 -4.09 4.41 1.44 -1.26 -4.89 115.22 108.86 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 0.40 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.41 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 -1.53 0.61 0.98 -1.40 0.00 -1.24 -0.49 119.30 116.22 1j2u s MET 40 Ca 0.10 -1.10 -0.16 0.00 0.00 0.00 0.00 55.69 54.53 1j2u s MET 40 Cb 0.10 0.03 0.21 0.00 0.00 0.00 0.00 34.83 35.16 1j2u s MET 40 CO 0.30 -0.06 1.31 0.00 0.00 0.00 0.00 175.02 176.57 1j2u n MET 42 N -3.83 1.30 -0.81 0.00 0.00 -1.26 -4.22 117.12 108.30 1j2u n MET 42 Ca 0.15 -0.94 0.08 0.00 0.00 0.00 0.00 57.70 56.99 1j2u n MET 42 Cb 0.59 -1.48 0.38 0.00 0.00 0.00 0.00 33.22 32.72 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 -0.04 5.41 -0.22 7.83 2.04 -1.26 -1.29 115.26 127.74 1j2u n ASN 43 Ca 0.12 -2.87 0.00 0.00 -0.44 0.00 0.00 54.58 51.40 1j2u n ASN 43 Cb 0.43 -0.65 0.12 0.00 -2.53 0.00 0.00 39.78 37.14 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 3.78 0.80 0.00 3.53 2.07 -1.83 -1.26 116.25 123.35 1j2u h VAL 44 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1j2u h VAL 44 Cb 1.85 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1j2u h VAL 44 CO 0.43 0.09 0.00 0.47 0.02 0.00 0.00 177.57 178.57 1j2u n ASP 45 N -4.94 0.39 -0.08 0.57 8.00 -1.26 -0.77 116.55 118.46 1j2u n ASP 45 Ca 0.09 0.61 -0.22 0.00 0.71 0.00 0.00 54.79 55.98 1j2u n ASP 45 Cb 0.27 -0.69 -0.12 0.00 -0.02 0.00 0.00 41.12 40.56 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 -1.94 1.61 -0.11 2.53 0.31 -0.66 -3.96 118.33 116.10 1j2u n VAL 46 Ca 0.02 -0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 63.85 1j2u n VAL 46 Cb 0.18 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.31 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 -0.45 0.46 0.48 7.52 3.38 -0.68 -2.44 115.31 123.59 1j2u h LEU 47 Ca -0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 1j2u h LEU 47 Cb 1.72 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1j2u h LEU 47 CO -0.13 0.46 -0.23 -0.07 0.09 0.00 0.00 178.44 178.56 1j2u h LEU 48 N 0.43 -0.55 -1.45 1.67 3.38 -1.19 -0.73 115.31 116.87 1j2u h LEU 48 Ca 0.12 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1j2u h LEU 48 Cb 0.12 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1j2u h LEU 48 CO -0.02 -0.23 -0.05 1.55 0.09 0.00 0.00 178.44 179.78 1j2u h PRO 49 N -0.88 0.30 -0.71 1.13 0.13 -1.76 -1.78 132.00 128.42 1j2u h PRO 49 Ca -0.07 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.96 1j2u h PRO 49 Cb 0.59 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1j2u h PRO 49 CO 0.11 0.37 0.24 1.15 -0.23 0.00 0.00 178.00 179.63 1j2u h THR 50 N 0.29 1.26 -0.48 1.56 2.02 -1.30 0.54 112.91 116.79 1j2u h THR 50 Ca 0.06 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 1j2u h THR 50 Cb 0.28 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1j2u h THR 50 CO 0.01 0.34 -0.13 0.00 0.37 0.00 0.00 175.52 176.11 1j2u h ALA 51 N 1.11 0.86 -0.28 6.16 0.00 -0.56 -0.44 119.26 126.12 1j2u h ALA 51 Ca 0.23 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1j2u h ALA 51 Cb 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1j2u h ALA 51 CO -0.01 0.64 -0.30 0.28 0.00 0.00 0.00 179.25 179.86 1j2u h VAL 52 N 0.81 1.30 -0.50 0.00 2.07 -1.15 -2.71 116.25 116.07 1j2u h VAL 52 Ca 0.13 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.26 1j2u h VAL 52 Cb 0.66 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 1j2u h VAL 52 CO 0.05 0.47 0.12 0.00 0.02 0.00 0.00 177.57 178.23 1j2u h LYS 54 N 0.27 0.26 -0.37 0.00 3.64 -0.90 0.20 116.57 119.66 1j2u h LYS 54 Ca 0.25 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1j2u h LYS 54 Cb 0.32 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1j2u h LYS 54 CO -0.31 0.17 -0.30 0.00 -2.27 0.00 0.00 179.45 176.74 1j2u h ARG 55 N 0.27 0.81 -0.15 1.90 3.08 -1.33 -0.95 114.38 118.00 1j2u h ARG 55 Ca 0.12 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1j2u h ARG 55 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1j2u h ARG 55 CO -0.11 1.00 -0.01 0.28 -1.07 0.00 0.00 179.97 180.06 1j2u h VAL 56 N 0.68 1.26 -0.74 2.04 2.07 -0.95 -2.80 116.25 117.82 1j2u h VAL 56 Ca 0.08 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1j2u h VAL 56 Cb 0.84 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 1j2u h VAL 56 CO 0.07 0.26 0.45 0.00 0.02 0.00 0.00 177.57 178.38 1j2u h ALA 57 N 0.75 0.98 -0.75 1.67 0.00 -0.42 -1.52 119.26 119.97 1j2u h ALA 57 Ca 0.04 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1j2u h ALA 57 Cb 0.40 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1j2u h ALA 57 CO 0.01 0.22 0.42 0.93 0.00 0.00 0.00 179.25 180.82 1j2u h GLU 58 N 0.87 0.72 -0.11 0.00 5.08 -1.15 0.91 114.58 120.89 1j2u h GLU 58 Ca 0.31 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.39 1j2u h GLU 58 Cb 0.07 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.17 1j2u h GLU 58 CO -0.13 0.47 -0.83 0.00 -1.00 0.00 0.00 179.01 177.52 1j2u h ARG 59 N 0.74 0.73 -0.02 2.33 3.08 -1.08 -3.34 114.38 116.82 1j2u h ARG 59 Ca 0.35 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1j2u h ARG 59 Cb 0.27 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1j2u h ARG 59 CO -0.22 1.24 -0.10 0.44 -1.07 0.00 0.00 179.97 180.26 1j2u n ILE 60 N -3.90 0.00 -2.67 2.04 -5.35 -0.65 -4.99 119.36 103.84 1j2u n ILE 60 Ca -0.08 -0.45 -0.06 0.00 -0.27 0.00 0.00 62.75 61.90 1j2u n ILE 60 Cb 0.77 1.40 0.02 0.00 -1.74 0.00 0.00 39.64 40.09 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 1.24 0.54 3.95 3.28 0.00 0.25 -5.04 105.19 109.41 1j2u n GLY 61 Ca 0.12 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.96 4.40 0.13 4.61 0.00 -0.78 -4.68 121.76 122.48 1j2u s ALA 62 Ca 0.12 -1.80 0.11 0.00 0.00 0.00 0.00 51.96 50.40 1j2u s ALA 62 Cb -0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1j2u s ALA 62 CO 0.15 -0.43 -0.27 -0.51 0.00 0.00 0.00 175.76 174.71 1j2u s LEU 63 N -4.34 2.32 -0.15 0.00 1.43 -0.40 -4.65 118.68 112.89 1j2u s LEU 63 Ca 0.51 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1j2u s LEU 63 Cb -0.05 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 1j2u s LEU 63 CO 0.31 0.17 -0.13 -0.69 0.23 0.00 0.00 176.35 176.24 1j2u s VAL 64 N -1.06 2.92 0.56 -1.59 1.01 0.14 -0.49 120.40 121.89 1j2u s VAL 64 Ca 0.13 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1j2u s VAL 64 Cb -0.10 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1j2u s VAL 64 CO 0.06 0.51 0.97 -0.04 0.00 0.00 0.00 175.10 176.60 1j2u s MET 65 N 0.67 3.69 0.22 2.72 -1.94 0.10 -0.69 119.30 124.08 1j2u s MET 65 Ca -0.07 0.71 -0.32 0.00 -1.71 0.00 0.00 55.69 54.31 1j2u s MET 65 Cb -0.15 -2.15 -0.14 0.00 2.01 0.00 0.00 34.83 34.39 1j2u s MET 65 CO 0.02 -0.41 1.39 -2.30 -0.01 0.00 0.00 175.02 173.71 1j2u n PRO 66 N -2.29 1.93 -2.40 2.03 -0.02 -1.26 -4.50 135.00 128.49 1j2u n PRO 66 Ca 0.05 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 1j2u n PRO 66 Cb 0.54 -2.34 -0.03 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 0.31 2.17 -0.19 -1.23 0.00 -1.26 -4.74 107.32 102.38 1j2u s GLY 67 Ca 0.70 0.30 -0.29 0.00 0.00 0.00 0.00 44.72 45.43 1j2u s GLY 67 CO 0.49 0.59 1.13 1.08 0.00 0.00 0.00 173.10 176.39 1j2u s LEU 68 N -3.98 4.15 0.22 0.66 1.43 -0.43 -4.91 118.68 115.82 1j2u s LEU 68 Ca 0.61 1.53 0.21 0.00 -1.03 0.00 0.00 54.13 55.45 1j2u s LEU 68 Cb -0.12 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1j2u s LEU 68 CO 0.29 -0.69 1.11 1.56 0.23 0.00 0.00 176.35 178.85 1j2u h GLN 69 N 7.72 0.00 -4.76 1.70 1.08 -1.89 -0.55 115.11 118.41 1j2u h GLN 69 Ca -0.23 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.40 1j2u h GLN 69 Cb 1.09 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 28.18 1j2u h GLN 69 CO 0.96 0.07 -0.83 0.71 -0.95 0.00 0.00 178.83 178.79 1j2u s TYR 70 N -3.25 1.85 0.00 2.96 1.51 -1.26 -2.84 117.35 116.32 1j2u s TYR 70 Ca 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.29 1j2u s TYR 70 Cb 0.09 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1j2u s TYR 70 CO 0.77 -0.38 0.00 0.41 -1.11 0.00 0.00 175.55 175.25 1j2u n GLY 71 N 3.91 4.70 3.79 0.71 0.00 -1.13 -4.78 105.19 112.39 1j2u n GLY 71 Ca -0.21 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.24 2.84 0.05 1.61 5.04 -1.26 -1.07 117.35 124.32 1j2u s TYR 72 Ca 0.00 1.50 -0.37 0.00 -2.44 0.00 0.00 57.07 55.76 1j2u s TYR 72 Cb 0.00 -3.00 -0.16 0.00 0.35 0.00 0.00 41.96 39.14 1j2u s TYR 72 CO 0.00 -1.46 1.41 1.63 -1.34 0.00 0.00 175.55 175.78 1j2u n LYS 73 N -2.93 1.24 -1.73 4.97 5.02 -1.24 -4.75 118.16 118.73 1j2u n LYS 73 Ca 0.09 0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 56.41 1j2u n LYS 73 Cb 0.53 -2.11 -0.02 0.00 -0.02 0.00 0.00 35.03 33.41 1j2u n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j2u n SER 74 N 2.93 3.68 -4.65 4.39 2.88 -1.26 -4.89 113.62 116.70 1j2u n SER 74 Ca 0.19 1.15 -0.33 0.00 -1.33 0.00 0.00 58.87 58.55 1j2u n SER 74 Cb 0.19 -1.57 -0.10 0.00 -0.75 0.00 0.00 64.21 61.99 1j2u n SER 74 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1j2u s GLN 75 N -0.57 2.81 0.20 -1.46 -1.52 -1.26 -2.07 119.66 115.79 1j2u s GLN 75 Ca 0.64 -0.55 -0.12 0.00 -1.95 0.00 0.00 55.36 53.38 1j2u s GLN 75 Cb -0.52 -2.67 0.25 0.00 -0.22 0.00 0.00 33.01 29.84 1j2u s GLN 75 CO 0.49 0.65 1.67 0.37 -0.25 0.00 0.00 175.29 178.23 1j2u h GLN 76 N 4.78 0.10 0.00 2.91 4.15 -1.91 0.32 115.11 125.46 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 1.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1j2u h GLN 76 CO 0.55 0.07 0.00 1.63 -1.93 0.00 0.00 178.83 179.15 1j2u n LYS 77 N -5.27 0.22 0.00 1.69 5.02 -1.26 -2.12 118.16 116.43 1j2u n LYS 77 Ca 0.07 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1j2u n LYS 77 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.36 0.10 0.00 4.39 3.41 -0.89 -4.25 113.62 115.02 1j2u n SER 78 Ca 0.09 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1j2u n SER 78 Cb 0.21 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.59 0.12 1.17 5.00 0.00 0.11 -4.64 105.19 107.54 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 2.71 0.00 -0.02 0.00 -0.90 -4.79 105.19 102.18 1j2u n GLY 80 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -0.02 0.00 -1.22 -4.43 105.19 103.02 1j2u n GLY 81 Ca 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.24 115.26 115.61 1j2u n ASN 82 Ca 0.00 -1.43 0.13 0.00 -0.11 0.00 0.00 54.58 53.18 1j2u n ASN 82 Cb 0.00 0.00 0.51 0.00 1.24 0.00 0.00 39.78 41.53 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 -0.77 0.15 -2.24 1.20 1.44 -1.26 -4.89 115.22 108.85 1j2u n HIS 83 Ca 0.13 0.04 -0.38 0.00 -2.01 0.00 0.00 57.72 55.50 1j2u n HIS 83 Cb 0.06 -0.53 -0.01 0.00 0.12 0.00 0.00 29.99 29.63 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 -3.02 2.98 0.76 -1.40 0.40 -1.20 -5.02 117.98 111.48 1j2u s PHE 84 Ca 0.13 1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 57.85 1j2u s PHE 84 Cb 0.18 -3.44 0.06 0.00 0.51 0.00 0.00 43.02 40.32 1j2u s PHE 84 CO 0.58 -1.50 1.14 -2.14 0.70 0.00 0.00 175.22 174.00 1j2u s PRO 85 N -2.38 2.08 0.00 0.24 0.02 -1.26 -3.55 135.00 130.15 1j2u s PRO 85 Ca 0.59 1.49 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1j2u s PRO 85 Cb -0.31 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1j2u s PRO 85 CO 0.39 -1.82 0.00 0.41 -0.33 0.00 0.00 177.00 175.65 1j2u n GLY 86 N -0.24 2.03 3.70 0.52 0.00 -1.26 -4.63 105.19 105.30 1j2u n GLY 86 Ca 0.11 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 0.23 -3.79 2.61 -1.04 -1.23 -4.61 114.28 106.44 1j2u n THR 87 Ca 0.00 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.68 1j2u n THR 87 Cb 0.00 -2.06 -0.16 0.00 -1.82 0.00 0.00 70.33 66.30 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 2.15 0.98 0.07 12.58 2.01 -0.46 -4.96 115.64 128.00 1j2u s THR 88 Ca 0.80 -1.16 0.08 0.00 0.31 0.00 0.00 61.69 61.71 1j2u s THR 88 Cb -0.50 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1j2u s THR 88 CO 0.36 -0.42 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.25 1j2u s SER 89 N 1.60 3.80 0.35 3.53 0.01 -1.26 -4.37 113.70 117.36 1j2u s SER 89 Ca 0.03 -0.48 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 1j2u s SER 89 Cb -0.18 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.44 1j2u s SER 89 CO -0.15 0.23 0.63 -0.76 0.41 0.00 0.00 173.24 173.59 1j2u s LEU 90 N -1.68 3.95 0.62 2.44 1.43 -0.23 -4.86 118.68 120.34 1j2u s LEU 90 Ca 0.16 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 53.89 1j2u s LEU 90 Cb -0.10 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 1j2u s LEU 90 CO 0.07 -0.30 1.11 -1.81 0.23 0.00 0.00 176.35 175.64 1j2u s ASP 91 N -3.40 5.37 0.22 2.29 -0.00 -1.26 -3.66 116.67 116.22 1j2u s ASP 91 Ca 0.45 2.03 -0.07 0.00 -0.00 0.00 0.00 52.55 54.97 1j2u s ASP 91 Cb -0.10 -2.56 0.35 0.00 -0.00 0.00 0.00 42.92 40.61 1j2u s ASP 91 CO 0.33 -1.46 1.74 1.23 -0.00 0.00 0.00 175.17 177.02 1j2u h GLY 92 N 0.43 0.99 1.26 0.21 0.00 -1.98 -1.91 103.07 102.07 1j2u h GLY 92 Ca -0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1j2u h GLY 92 CO 0.55 -0.04 0.29 0.00 0.00 0.00 0.00 176.54 177.35 1j2u h ALA 93 N 1.47 1.26 -0.21 3.60 0.00 -1.99 -0.92 119.26 122.48 1j2u h ALA 93 Ca 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1j2u h ALA 93 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1j2u h ALA 93 CO -0.34 0.55 0.07 1.15 0.00 0.00 0.00 179.25 180.68 1j2u h THR 94 N 0.95 1.18 -0.28 0.00 2.02 -1.74 -0.61 112.91 114.43 1j2u h THR 94 Ca 0.23 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 1j2u h THR 94 Cb 0.14 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1j2u h THR 94 CO -0.03 0.18 -0.05 0.25 0.37 0.00 0.00 175.52 176.25 1j2u h LEU 95 N 0.17 0.53 -0.56 2.58 5.85 -1.13 -1.28 115.31 121.48 1j2u h LEU 95 Ca 0.07 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1j2u h LEU 95 Cb 0.21 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1j2u h LEU 95 CO -0.00 0.75 0.32 0.74 -0.34 0.00 0.00 178.44 179.90 1j2u h THR 96 N 0.29 1.01 -0.42 1.05 2.02 -1.17 -1.94 112.91 113.75 1j2u h THR 96 Ca 0.07 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1j2u h THR 96 Cb 0.51 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1j2u h THR 96 CO 0.02 0.11 0.01 1.23 0.37 0.00 0.00 175.52 177.27 1j2u h GLY 97 N 0.62 0.73 0.75 2.16 0.00 -0.92 -0.31 103.07 106.10 1j2u h GLY 97 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1j2u h GLY 97 CO -0.13 0.42 0.00 -0.84 0.00 0.00 0.00 176.54 176.00 1j2u h THR 98 N 0.64 1.25 -0.52 4.70 2.02 -0.76 -0.41 112.91 119.83 1j2u h THR 98 Ca 0.13 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.55 1j2u h THR 98 Cb 0.38 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1j2u h THR 98 CO 0.01 0.22 0.34 0.58 0.37 0.00 0.00 175.52 177.04 1j2u h VAL 99 N -0.12 1.11 -0.64 3.16 2.07 -1.21 -1.90 116.25 118.71 1j2u h VAL 99 Ca 0.03 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1j2u h VAL 99 Cb 0.34 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1j2u h VAL 99 CO 0.00 0.12 0.39 -0.61 0.02 0.00 0.00 177.57 177.50 1j2u h GLN 100 N 0.68 0.74 -0.52 1.57 4.15 -0.92 -1.87 115.11 118.94 1j2u h GLN 100 Ca 0.20 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 1j2u h GLN 100 Cb -0.05 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1j2u h GLN 100 CO -0.06 0.49 -0.00 -0.44 -1.93 0.00 0.00 178.83 176.89 1j2u h ASP 101 N 0.76 0.91 -0.23 -0.69 3.32 -0.82 -1.96 116.42 117.71 1j2u h ASP 101 Ca 0.26 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1j2u h ASP 101 Cb 0.05 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1j2u h ASP 101 CO -0.12 1.00 0.09 0.40 -1.72 0.00 0.00 179.24 178.88 1j2u h ILE 102 N 0.80 1.18 -0.56 0.35 2.04 -1.12 -2.00 117.51 118.19 1j2u h ILE 102 Ca 0.15 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1j2u h ILE 102 Cb 0.53 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1j2u h ILE 102 CO 0.03 0.18 0.35 0.40 0.00 0.00 0.00 178.15 179.11 1j2u h ILE 103 N 0.21 1.09 -0.52 -0.67 2.04 -1.23 -0.01 117.51 118.43 1j2u h ILE 103 Ca 0.08 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.79 1j2u h ILE 103 Cb 0.19 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 1j2u h ILE 103 CO -0.01 0.13 0.10 -0.09 0.00 0.00 0.00 178.15 178.28 1j2u h ARG 104 N 0.71 0.22 -0.41 2.37 2.43 -1.21 -1.36 114.38 117.12 1j2u h ARG 104 Ca 0.22 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1j2u h ARG 104 Cb -0.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1j2u h ARG 104 CO -0.08 0.15 -0.24 0.93 -1.51 0.00 0.00 179.97 179.22 1j2u h GLU 105 N 0.23 0.89 -0.68 0.20 4.39 -0.69 -1.57 114.58 117.34 1j2u h GLU 105 Ca 0.27 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 1j2u h GLU 105 Cb 0.37 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1j2u h GLU 105 CO -0.35 1.06 0.26 -0.07 -1.16 0.00 0.00 179.01 178.74 1j2u h LEU 106 N 0.71 0.93 -0.73 1.33 3.38 -0.79 -1.37 115.31 118.79 1j2u h LEU 106 Ca 0.09 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1j2u h LEU 106 Cb 0.81 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1j2u h LEU 106 CO 0.07 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.45 1j2u h ALA 107 N 1.29 0.93 -0.85 1.53 0.00 -1.05 -1.45 119.26 119.66 1j2u h ALA 107 Ca 0.23 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1j2u h ALA 107 Cb 0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1j2u h ALA 107 CO -0.02 0.64 0.56 -0.09 0.00 0.00 0.00 179.25 180.34 1j2u h ARG 108 N 0.90 1.01 0.00 0.00 2.43 -0.56 -0.97 114.38 117.19 1j2u h ARG 108 Ca 0.17 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1j2u h ARG 108 Cb 0.52 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1j2u h ARG 108 CO 0.03 0.67 -0.09 0.45 -1.51 0.00 0.00 179.97 179.52 1j2u h HIS 109 N 1.04 0.00 0.00 2.20 3.86 -0.50 -3.46 115.15 118.30 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 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1j2u h HIS 109 CO -0.00 0.09 0.00 0.41 0.86 0.00 0.00 177.93 179.29 1j2u n GLY 110 N -0.51 0.61 3.77 2.45 0.00 -0.37 -4.97 105.19 106.17 1j2u n GLY 110 Ca -0.01 0.00 -0.36 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 2.67 0.00 4.61 0.00 -0.62 -4.96 121.76 121.46 1j2u s ALA 111 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1j2u s ALA 111 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1j2u s ALA 111 CO 0.00 -0.91 0.30 0.54 0.00 0.00 0.00 175.76 175.70 1j2u n ARG 112 N -1.32 0.01 -3.71 0.00 5.12 -1.26 -4.16 116.66 111.34 1j2u n ARG 112 Ca 0.12 -0.31 -0.25 0.00 -1.93 0.00 0.00 57.85 55.48 1j2u n ARG 112 Cb 0.50 -0.50 -0.17 0.00 -1.16 0.00 0.00 32.46 31.13 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 -0.01 0.45 -0.03 5.56 0.52 -1.26 -0.89 118.95 123.29 1j2u s ARG 113 Ca 0.00 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1j2u s ARG 113 Cb 0.00 -1.55 0.01 0.00 0.52 0.00 0.00 34.95 33.93 1j2u s ARG 113 CO 0.00 -0.51 -0.10 -1.17 0.02 0.00 0.00 175.30 173.54 1j2u s LEU 114 N 1.98 1.74 -0.19 2.53 2.96 -0.82 -1.38 118.68 125.51 1j2u s LEU 114 Ca 0.02 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1j2u s LEU 114 Cb -0.15 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 1j2u s LEU 114 CO -0.07 0.06 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.29 1j2u s VAL 115 N 0.30 3.52 -0.33 1.68 1.01 0.43 -0.85 120.40 126.15 1j2u s VAL 115 Ca -0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1j2u s VAL 115 Cb -0.10 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1j2u s VAL 115 CO 0.01 0.45 0.17 -0.76 0.00 0.00 0.00 175.10 174.97 1j2u s LEU 116 N 1.03 4.32 -0.46 3.92 1.43 0.55 -0.37 118.68 129.11 1j2u s LEU 116 Ca 0.01 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.29 1j2u s LEU 116 Cb -0.15 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.15 1j2u s LEU 116 CO 0.00 -0.26 0.34 -0.32 0.23 0.00 0.00 176.35 176.34 1j2u s MET 117 N 1.59 2.76 0.24 1.70 1.75 -0.25 -1.71 119.30 125.38 1j2u s MET 117 Ca 0.04 -1.48 -0.30 0.00 -1.25 0.00 0.00 55.69 52.70 1j2u s MET 117 Cb -0.18 -3.97 -0.09 0.00 2.84 0.00 0.00 34.83 33.43 1j2u s MET 117 CO 0.06 -1.04 0.94 1.21 -0.65 0.00 0.00 175.02 175.54 1j2u s ASN 118 N 2.49 7.64 0.00 1.11 2.47 0.31 -1.06 114.94 127.90 1j2u s ASN 118 Ca 0.04 1.94 0.00 0.00 0.42 0.00 0.00 52.86 55.26 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 0.15 0.55 0.61 -3.72 0.00 0.00 177.10 174.72 1j2u n GLY 119 N 1.46 -0.04 2.88 1.21 0.00 0.21 -3.15 105.19 107.76 1j2u n GLY 119 Ca -0.02 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 -0.26 1.59 0.26 1.61 5.65 -1.24 -4.63 115.29 118.27 1j2u s HIS 120 Ca 0.00 -0.98 -0.05 0.00 0.25 0.00 0.00 55.06 54.28 1j2u s HIS 120 Cb 0.00 -1.27 0.50 0.00 -1.18 0.00 0.00 32.58 30.63 1j2u s HIS 120 CO 0.00 -0.59 1.62 -0.92 -0.65 0.00 0.00 174.74 174.21 1j2u h TYR 121 N 8.14 -0.06 0.00 3.88 3.20 -1.94 -1.37 116.97 128.82 1j2u h TYR 121 Ca -0.25 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1j2u h TYR 121 Cb 1.12 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1j2u h TYR 121 CO 0.45 -0.28 0.00 0.39 -1.64 0.00 0.00 178.16 177.08 1j2u n GLU 122 N -5.38 0.02 0.18 1.82 4.71 -1.26 -3.67 120.64 117.05 1j2u n GLU 122 Ca 0.16 0.21 0.06 0.00 -0.01 0.00 0.00 57.16 57.57 1j2u n GLU 122 Cb 0.53 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.73 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 -0.48 1.62 2.35 -1.57 -3.41 115.58 114.10 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 0.28 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.55 1j2u h ASN 123 CO 0.00 0.38 -0.35 0.28 -1.65 0.00 0.00 177.43 176.09 1j2u h SER 124 N 0.00 -1.19 0.80 5.81 0.02 -1.76 -1.68 113.55 115.55 1j2u h SER 124 Ca -0.00 0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1j2u h SER 124 Cb 1.01 0.56 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 1j2u h SER 124 CO 0.05 -0.32 -0.25 0.24 -1.14 0.00 0.00 176.83 175.40 1j2u h MET 125 N -0.23 0.00 0.03 3.45 2.86 -1.90 -0.78 114.93 118.36 1j2u h MET 125 Ca 0.19 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.60 1j2u h MET 125 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1j2u h MET 125 CO -0.60 0.25 -1.04 0.74 1.06 0.00 0.00 176.91 177.32 1j2u h PHE 126 N 0.00 0.13 -0.32 -0.22 -1.00 -1.63 -1.03 116.94 112.87 1j2u h PHE 126 Ca -0.00 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1j2u h PHE 126 Cb 0.72 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1j2u h PHE 126 CO 0.00 1.06 0.16 0.82 -1.61 0.00 0.00 178.31 178.73 1j2u h ILE 127 N 0.02 1.16 -0.59 -0.55 2.04 -0.92 -1.35 117.51 117.33 1j2u h ILE 127 Ca -0.04 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1j2u h ILE 127 Cb 1.79 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 1j2u h ILE 127 CO 0.15 0.16 0.33 0.58 0.00 0.00 0.00 178.15 179.37 1j2u h VAL 128 N 0.39 1.00 -0.47 1.67 2.07 -0.99 -1.50 116.25 118.40 1j2u h VAL 128 Ca 0.11 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 1j2u h VAL 128 Cb 0.12 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1j2u h VAL 128 CO -0.01 0.11 -0.14 -0.08 0.02 0.00 0.00 177.57 177.47 1j2u h GLU 129 N 0.63 0.89 -0.69 1.57 4.57 -1.07 -1.91 114.58 118.56 1j2u h GLU 129 Ca 0.25 -0.32 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1j2u h GLU 129 Cb 0.11 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1j2u h GLU 129 CO -0.15 0.97 0.43 0.78 -1.18 0.00 0.00 179.01 179.86 1j2u h GLY 130 N 0.96 1.00 0.85 1.92 0.00 -0.78 -1.23 103.07 105.78 1j2u h GLY 130 Ca 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1j2u h GLY 130 CO 0.05 0.27 0.04 -2.22 0.00 0.00 0.00 176.54 174.68 1j2u h ILE 131 N 0.84 1.17 -0.43 2.60 2.04 -1.08 -1.43 117.51 121.22 1j2u h ILE 131 Ca 0.28 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1j2u h ILE 131 Cb 0.03 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1j2u h ILE 131 CO -0.11 0.15 0.21 -0.78 0.00 0.00 0.00 178.15 177.62 1j2u h ASP 132 N 0.01 0.29 -0.17 1.72 1.82 -1.05 0.52 116.42 119.57 1j2u h ASP 132 Ca 0.04 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.60 1j2u h ASP 132 Cb 0.20 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1j2u h ASP 132 CO -0.00 0.21 -0.22 -0.07 -1.61 0.00 0.00 179.24 177.55 1j2u h LEU 133 N 0.42 0.61 -0.27 2.28 3.38 -1.16 -0.71 115.31 119.86 1j2u h LEU 133 Ca 0.19 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1j2u h LEU 133 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1j2u h LEU 133 CO -0.14 0.83 -0.04 0.00 0.09 0.00 0.00 178.44 179.17 1j2u h ALA 134 N 1.22 0.37 -0.25 1.53 0.00 -0.74 -2.25 119.26 119.14 1j2u h ALA 134 Ca 0.08 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1j2u h ALA 134 Cb 0.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1j2u h ALA 134 CO 0.05 0.15 -0.15 -0.07 0.00 0.00 0.00 179.25 179.24 1j2u h LEU 135 N 0.26 0.41 -0.23 0.00 3.38 -0.74 -0.83 115.31 117.55 1j2u h LEU 135 Ca 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1j2u h LEU 135 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1j2u h LEU 135 CO 0.02 0.58 0.14 -0.09 0.09 0.00 0.00 178.44 179.19 1j2u h ARG 136 N 0.39 0.32 -0.73 1.13 2.43 -1.03 -1.81 114.38 115.08 1j2u h ARG 136 Ca 0.07 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1j2u h ARG 136 Cb 0.49 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1j2u h ARG 136 CO 0.03 0.25 0.22 0.93 -1.51 0.00 0.00 179.97 179.89 1j2u h GLU 137 N 0.29 1.13 -0.88 0.20 5.08 -0.91 -2.60 114.58 116.89 1j2u h GLU 137 Ca 0.08 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1j2u h GLU 137 Cb 0.01 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1j2u h GLU 137 CO -0.02 0.96 0.52 -0.07 -1.00 0.00 0.00 179.01 179.41 1j2u h LEU 138 N 1.08 1.06 -0.72 1.33 3.38 -0.98 -1.77 115.31 118.70 1j2u h LEU 138 Ca 0.24 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1j2u h LEU 138 Cb 0.31 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1j2u h LEU 138 CO -0.01 0.83 0.45 -0.09 0.09 0.00 0.00 178.44 179.71 1j2u h ARG 139 N 1.21 0.87 -0.72 1.13 2.43 -1.05 0.13 114.38 118.38 1j2u h ARG 139 Ca 0.31 -0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.55 1j2u h ARG 139 Cb -0.04 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.27 1j2u h ARG 139 CO -0.06 0.57 0.48 1.88 -1.51 0.00 0.00 179.97 181.34 1j2u h TYR 140 N 0.89 0.57 -0.24 2.20 0.05 -0.97 0.22 116.97 119.70 1j2u h TYR 140 Ca 0.28 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.08 1j2u h TYR 140 Cb 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1j2u h TYR 140 CO -0.04 0.25 0.00 0.00 -1.05 0.00 0.00 178.16 177.32 1j2u n ALA 141 N -2.49 2.49 -0.83 3.88 0.00 -0.43 -4.91 120.51 118.22 1j2u n ALA 141 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1j2u n ALA 141 Cb 0.42 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.08 0.58 3.51 0.00 0.00 0.07 -5.03 105.19 105.39 1j2u n GLY 142 Ca 0.14 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 5.17 -0.01 -0.61 1.01 0.34 -4.93 121.20 120.16 1j2u s ILE 143 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1j2u s ILE 143 Cb 0.00 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1j2u s ILE 143 CO 0.00 -0.02 0.95 0.00 0.00 0.00 0.00 174.94 175.87 1j2u n GLN 144 N 5.09 2.48 -0.38 2.79 6.02 -1.26 -3.11 117.38 129.01 1j2u n GLN 144 Ca -0.13 -1.44 0.08 0.00 -0.01 0.00 0.00 57.00 55.50 1j2u n GLN 144 Cb 0.49 -0.97 0.24 0.00 1.02 0.00 0.00 30.24 31.03 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 -0.49 3.69 -4.70 1.08 3.85 -1.26 -4.93 116.55 113.79 1j2u n ASP 145 Ca 0.01 -2.54 -0.40 0.00 -0.71 0.00 0.00 54.79 51.15 1j2u n ASP 145 Cb 0.31 -0.43 -0.04 0.00 -1.35 0.00 0.00 41.12 39.61 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 -1.97 3.53 -0.03 2.11 2.19 -1.26 -4.85 117.98 117.71 1j2u s PHE 146 Ca 0.36 1.28 0.05 0.00 0.33 0.00 0.00 56.93 58.96 1j2u s PHE 146 Cb 0.26 -2.90 -0.01 0.00 -1.31 0.00 0.00 43.02 39.06 1j2u s PHE 146 CO 0.14 -0.02 -0.19 0.21 1.83 0.00 0.00 175.22 177.19 1j2u s LYS 147 N 1.24 1.69 -0.05 10.12 2.20 -0.07 -5.02 119.74 129.85 1j2u s LYS 147 Ca 0.39 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1j2u s LYS 147 Cb -0.18 -1.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.58 1j2u s LYS 147 CO 0.17 0.35 -0.15 0.08 -0.36 0.00 0.00 175.35 175.44 1j2u s VAL 148 N -0.27 1.32 -0.13 4.02 1.01 -1.26 -1.94 120.40 123.15 1j2u s VAL 148 Ca 0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1j2u s VAL 148 Cb -0.09 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1j2u s VAL 148 CO 0.00 0.39 -0.11 -0.69 0.00 0.00 0.00 175.10 174.69 1j2u s VAL 149 N 0.18 3.26 -0.02 2.92 1.01 -0.03 -5.00 120.40 122.72 1j2u s VAL 149 Ca -0.06 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1j2u s VAL 149 Cb -0.12 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1j2u s VAL 149 CO 0.02 0.52 -0.18 0.54 0.00 0.00 0.00 175.10 176.01 1j2u s VAL 150 N 0.26 1.44 0.07 2.92 0.11 -1.26 -0.33 120.40 123.61 1j2u s VAL 150 Ca -0.08 -0.77 -0.23 0.00 -2.93 0.00 0.00 61.98 57.98 1j2u s VAL 150 Cb -0.15 -1.20 0.06 0.00 -1.53 0.00 0.00 36.38 33.55 1j2u s VAL 150 CO 0.05 0.41 0.54 -1.48 -3.33 0.00 0.00 175.10 171.29 1j2u s LEU 151 N -0.34 -0.20 -0.20 2.54 0.05 -0.69 -4.97 118.68 114.86 1j2u s LEU 151 Ca 0.05 0.13 -0.07 0.00 0.05 0.00 0.00 54.13 54.28 1j2u s LEU 151 Cb -0.08 2.25 -0.04 0.00 -2.05 0.00 0.00 46.19 46.28 1j2u s LEU 151 CO -0.00 -0.79 0.07 -0.44 -0.55 0.00 0.00 176.35 174.64 1j2u s SER 152 N -2.18 5.50 0.40 1.48 0.01 -1.26 -0.53 113.70 117.11 1j2u s SER 152 Ca -0.03 -0.00 0.09 0.00 1.31 0.00 0.00 55.95 57.31 1j2u s SER 152 Cb -0.00 -1.96 0.87 0.00 0.21 0.00 0.00 66.02 65.13 1j2u s SER 152 CO -0.05 0.11 1.98 0.10 0.41 0.00 0.00 173.24 175.79 1j2u h TYR 153 N 7.20 0.61 0.00 2.43 -0.00 -1.91 -1.83 116.97 123.46 1j2u h TYR 153 Ca -0.37 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.37 1j2u h TYR 153 Cb 1.17 -0.20 -0.00 0.00 0.00 0.00 0.00 36.73 37.70 1j2u h TYR 153 CO 0.60 0.32 -0.06 0.11 -0.00 0.00 0.00 178.16 179.13 1j2u h TRP 154 N 0.60 0.00 0.00 0.10 0.09 -1.96 -2.66 115.95 112.13 1j2u h TRP 154 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.26 1j2u h TRP 154 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.56 1j2u h TRP 154 CO -0.00 0.06 0.00 -0.44 0.09 0.00 0.00 178.44 178.15 1j2u h ASP 155 N 0.00 0.00 0.84 0.11 3.32 -1.76 -1.21 116.42 117.72 1j2u h ASP 155 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j2u h ASP 155 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1j2u h ASP 155 CO 0.01 0.00 -0.07 0.49 -1.72 0.00 0.00 179.24 177.95 1j2u n PHE 156 N -2.32 0.00 -2.91 4.55 3.01 -1.00 -4.45 117.46 114.33 1j2u n PHE 156 Ca -0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 1j2u n PHE 156 Cb 0.12 -0.42 -0.02 0.00 -0.01 0.00 0.00 39.48 39.15 1j2u n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j2u s VAL 157 N -2.91 4.71 -0.03 -4.37 1.01 -0.46 -4.69 120.40 113.66 1j2u s VAL 157 Ca 0.16 -1.58 0.03 0.00 0.00 0.00 0.00 61.98 60.60 1j2u s VAL 157 Cb 0.19 -4.79 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 1j2u s VAL 157 CO 0.54 -1.52 0.03 0.29 0.00 0.00 0.00 175.10 174.43 1j2u n LYS 158 N 6.60 2.83 -1.68 2.72 5.02 -1.26 -4.95 118.16 127.44 1j2u n LYS 158 Ca 0.25 -0.01 -0.52 0.00 -2.02 0.00 0.00 58.31 56.01 1j2u n LYS 158 Cb 0.49 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 1j2u n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1j2u n ASP 159 N -2.05 3.00 -0.32 4.39 2.03 -1.26 -4.84 116.55 117.50 1j2u n ASP 159 Ca -0.05 0.97 0.07 0.00 0.52 0.00 0.00 54.79 56.30 1j2u n ASP 159 Cb 0.53 -1.28 0.24 0.00 -0.72 0.00 0.00 41.12 39.88 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 8.79 0.74 -0.54 -0.67 0.11 -1.99 0.05 132.00 138.50 1j2u h PRO 160 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1j2u h PRO 160 Cb 1.29 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1j2u h PRO 160 CO 0.96 0.49 0.32 0.00 -0.21 0.00 0.00 178.00 179.56 1j2u h ALA 161 N 1.55 0.68 -0.47 -0.75 0.00 -2.00 -1.33 119.26 116.95 1j2u h ALA 161 Ca 0.48 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 1j2u h ALA 161 Cb 0.61 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1j2u h ALA 161 CO -0.32 0.17 0.04 0.28 0.00 0.00 0.00 179.25 179.42 1j2u h VAL 162 N 0.72 1.25 -0.89 0.00 2.07 -1.57 -1.81 116.25 116.02 1j2u h VAL 162 Ca 0.19 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.79 1j2u h VAL 162 Cb -0.01 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1j2u h VAL 162 CO -0.04 0.34 0.56 0.40 0.02 0.00 0.00 177.57 178.86 1j2u h ILE 163 N 0.66 1.07 -0.38 4.57 1.08 -0.74 -1.15 117.51 122.61 1j2u h ILE 163 Ca 0.14 -0.35 -0.13 0.00 -0.39 0.00 0.00 64.86 64.13 1j2u h ILE 163 Cb 0.44 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 1j2u h ILE 163 CO 0.02 0.19 -0.28 -0.61 -0.69 0.00 0.00 178.15 176.77 1j2u h GLN 164 N 1.03 0.81 -0.84 2.37 5.75 -1.00 0.33 115.11 123.56 1j2u h GLN 164 Ca 0.38 -0.36 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1j2u h GLN 164 Cb 0.14 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1j2u h GLN 164 CO -0.16 0.99 0.55 1.96 -2.65 0.00 0.00 178.83 179.52 1j2u h GLN 165 N 0.69 1.06 0.20 1.69 4.20 -0.42 -2.92 115.11 119.61 1j2u h GLN 165 Ca 0.08 -0.06 -0.33 0.00 0.06 0.00 0.00 58.65 58.40 1j2u h GLN 165 Cb 0.82 -0.24 0.02 0.00 0.30 0.00 0.00 27.48 28.38 1j2u h GLN 165 CO 0.07 0.70 -1.56 -0.07 -0.67 0.00 0.00 178.83 177.31 1j2u h LEU 166 N 1.09 0.66 -6.53 1.46 3.38 -0.89 -3.42 115.31 111.06 1j2u h LEU 166 Ca 0.32 -0.81 -0.60 0.00 0.09 0.00 0.00 57.88 56.88 1j2u h LEU 166 Cb -0.05 -0.21 -0.40 0.00 0.09 0.00 0.00 40.66 40.08 1j2u h LEU 166 CO -0.08 1.66 -0.77 -1.22 0.09 0.00 0.00 178.44 178.12 1j2u n TYR 167 N -3.61 1.70 0.26 1.13 4.02 0.11 -4.96 117.16 115.80 1j2u n TYR 167 Ca -0.18 -3.90 0.11 0.00 -0.01 0.00 0.00 57.90 53.91 1j2u n TYR 167 Cb 1.08 -0.34 0.69 0.00 -0.02 0.00 0.00 39.34 40.75 1j2u n TYR 167 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1j2u h PRO 168 N 4.96 0.00 -0.10 -0.72 0.13 -1.75 -0.52 132.00 134.01 1j2u h PRO 168 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1j2u h PRO 168 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1j2u h PRO 168 CO 0.61 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 1j2u n GLU 169 N -3.95 1.75 0.00 0.86 1.02 -1.26 -5.01 120.64 114.05 1j2u n GLU 169 Ca -0.02 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.01 1j2u n GLU 169 Cb 0.20 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1j2u n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2u n GLY 170 N 1.17 3.35 3.70 0.62 0.00 -0.20 -5.04 105.19 108.79 1j2u n GLY 170 Ca 0.17 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1j2u n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j2u s PHE 171 N -1.65 3.54 -0.23 1.61 5.36 -1.26 -4.85 117.98 120.49 1j2u s PHE 171 Ca 0.00 1.58 0.13 0.00 -0.96 0.00 0.00 56.93 57.68 1j2u s PHE 171 Cb 0.00 -3.20 0.49 0.00 -0.34 0.00 0.00 43.02 39.97 1j2u s PHE 171 CO 0.00 -0.33 1.41 1.28 -1.46 0.00 0.00 175.22 176.13 1j2u n LEU 172 N 4.47 3.83 0.00 6.12 7.99 -1.26 -5.07 117.00 133.08 1j2u n LEU 172 Ca 0.08 -3.43 0.00 0.00 -0.01 0.00 0.00 56.01 52.65 1j2u n LEU 172 Cb 0.49 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 43.22 1j2u n LEU 172 CO 0.53 0.99 0.00 0.61 -1.51 0.00 0.00 177.39 178.01 1j2u n GLY 173 N -0.93 0.41 0.29 -0.72 0.00 -1.26 -4.38 105.19 98.60 1j2u n GLY 173 Ca 0.27 -1.48 0.17 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.35 1.61 4.06 -1.97 -2.50 115.95 116.80 1j2u h TRP 174 Ca 0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 1j2u h TRP 174 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1j2u h TRP 174 CO 0.00 0.04 -0.35 0.38 -3.56 0.00 0.00 178.44 174.95 1j2u h ASP 175 N 0.00 0.91 1.26 -3.49 -0.00 -1.87 -3.09 116.42 110.15 1j2u h ASP 175 Ca -0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 1j2u h ASP 175 Cb 0.36 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.43 1j2u h ASP 175 CO 0.01 1.19 0.00 -0.38 -0.00 0.00 0.00 179.24 180.06 1j2u n ILE 176 N -4.14 0.62 -1.35 4.15 2.08 -0.98 -3.86 119.36 115.89 1j2u n ILE 176 Ca -0.03 -0.14 -0.38 0.00 0.56 0.00 0.00 62.75 62.76 1j2u n ILE 176 Cb 0.52 -0.72 -0.02 0.00 -0.75 0.00 0.00 39.64 38.66 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 -2.21 3.35 -3.87 0.38 4.07 -0.99 -3.27 120.64 118.10 1j2u n GLU 177 Ca 0.05 -2.21 -0.36 0.00 -0.06 0.00 0.00 57.16 54.58 1j2u n GLU 177 Cb 0.37 -2.88 -0.13 0.00 -0.06 0.00 0.00 31.44 28.74 1j2u n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1j2u s HIS 178 N 2.55 3.20 -0.61 4.31 2.46 -1.25 -4.57 115.29 121.38 1j2u s HIS 178 Ca 0.62 -1.59 0.00 0.00 0.47 0.00 0.00 55.06 54.56 1j2u s HIS 178 Cb 0.16 -2.15 0.00 0.00 -0.13 0.00 0.00 32.58 30.47 1j2u s HIS 178 CO -0.06 -0.74 0.00 0.41 -2.47 0.00 0.00 174.74 171.88 1j2u n GLY 179 N 4.70 0.82 0.00 1.59 0.00 -1.26 -1.77 105.19 109.27 1j2u n GLY 179 Ca -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.10 1.77 0.26 -0.02 0.00 -1.25 -4.39 105.19 99.46 1j2u n GLY 180 Ca -0.06 -1.85 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 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 1.19 0.66 1.61 2.07 -1.84 -2.01 116.25 117.93 1j2u h VAL 181 Ca 0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1j2u h VAL 181 Cb 0.00 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1j2u h VAL 181 CO 0.00 0.20 -0.32 0.15 0.02 0.00 0.00 177.57 177.62 1j2u h PHE 182 N 0.86 -0.82 -0.57 1.57 3.04 -1.93 -0.31 116.94 118.78 1j2u h PHE 182 Ca 0.23 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.07 1j2u h PHE 182 Cb -0.01 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 1j2u h PHE 182 CO -0.02 -0.47 0.03 0.93 -2.02 0.00 0.00 178.31 176.76 1j2u h GLU 183 N -1.09 0.98 -0.68 1.11 5.08 -1.89 -2.29 114.58 115.80 1j2u h GLU 183 Ca -0.09 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 57.89 1j2u h GLU 183 Cb 0.72 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1j2u h GLU 183 CO 0.15 0.97 0.11 1.15 -1.00 0.00 0.00 179.01 180.39 1j2u h THR 184 N 0.87 1.26 -0.43 1.13 2.02 -1.38 -0.74 112.91 115.65 1j2u h THR 184 Ca 0.16 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1j2u h THR 184 Cb 0.50 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1j2u h THR 184 CO 0.02 0.39 0.21 0.28 0.37 0.00 0.00 175.52 176.80 1j2u h SER 185 N 1.04 0.55 -0.83 4.18 0.02 -0.94 -0.38 113.55 117.20 1j2u h SER 185 Ca 0.21 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 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 0.51 0.55 -0.07 -1.14 0.00 0.00 176.83 176.69 1j2u h LEU 186 N 0.55 0.93 -0.81 5.07 3.38 -1.08 -1.92 115.31 121.43 1j2u h LEU 186 Ca 0.15 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1j2u h LEU 186 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1j2u h LEU 186 CO -0.02 0.67 -0.15 0.24 0.09 0.00 0.00 178.44 179.26 1j2u h MET 187 N 1.10 0.73 -0.36 1.13 2.86 -0.81 -0.72 114.93 118.85 1j2u h MET 187 Ca 0.31 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1j2u h MET 187 Cb -0.09 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1j2u h MET 187 CO -0.08 0.84 0.01 -0.07 1.06 0.00 0.00 176.91 178.67 1j2u h LEU 188 N 0.65 0.53 -0.09 1.22 3.38 -0.64 0.67 115.31 121.04 1j2u h LEU 188 Ca 0.10 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 1j2u h LEU 188 Cb 0.63 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.25 1j2u h LEU 188 CO 0.04 0.59 -0.92 0.00 0.09 0.00 0.00 178.44 178.25 1j2u h ALA 189 N 1.47 0.23 0.01 1.53 0.00 -0.88 -3.35 119.26 118.28 1j2u h ALA 189 Ca 0.12 -0.65 -0.38 0.00 0.00 0.00 0.00 54.91 54.00 1j2u h ALA 189 Cb 0.34 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1j2u h ALA 189 CO 0.01 0.69 -2.37 1.28 0.00 0.00 0.00 179.25 178.86 1j2u n LEU 190 N -3.89 2.13 -3.13 0.00 4.77 -0.32 -4.79 117.00 111.77 1j2u n LEU 190 Ca -0.09 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.68 1j2u n LEU 190 Cb 0.82 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1j2u n LEU 190 CO 0.54 0.80 -0.16 -1.22 -1.33 0.00 0.00 177.39 176.02 1j2u n TYR 191 N -3.15 -0.25 -0.00 -1.77 4.01 0.23 -4.98 117.16 111.24 1j2u n TYR 191 Ca -0.40 -3.59 0.19 0.00 -0.16 0.00 0.00 57.90 53.95 1j2u n TYR 191 Cb 1.04 -0.15 0.67 0.00 -0.31 0.00 0.00 39.34 40.59 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 3.04 0.04 0.00 -0.72 0.13 -1.61 -0.31 132.00 132.57 1j2u h PRO 192 Ca 0.07 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1j2u h PRO 192 Cb 0.98 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1j2u h PRO 192 CO 0.45 0.03 0.00 -0.44 -0.23 0.00 0.00 178.00 177.81 1j2u h ASP 193 N 0.04 0.00 -0.40 1.44 3.45 -1.93 -2.40 116.42 116.62 1j2u h ASP 193 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1j2u h ASP 193 Cb 0.96 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.73 1j2u h ASP 193 CO -0.01 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.84 1j2u n LEU 194 N -2.52 3.08 -4.15 1.55 4.77 -0.13 -4.87 117.00 114.74 1j2u n LEU 194 Ca 0.01 -1.37 -0.26 0.00 -0.03 0.00 0.00 56.01 54.35 1j2u n LEU 194 Cb 0.19 -0.26 -0.16 0.00 -2.33 0.00 0.00 43.42 40.86 1j2u n LEU 194 CO 0.19 0.69 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.75 1j2u s VAL 195 N -1.48 1.44 -0.47 4.08 1.01 -0.90 -2.98 120.40 121.09 1j2u s VAL 195 Ca 0.38 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1j2u s VAL 195 Cb 0.21 -1.22 0.14 0.00 0.00 0.00 0.00 36.38 35.51 1j2u s VAL 195 CO 0.30 0.41 0.26 -0.62 0.00 0.00 0.00 175.10 175.45 1j2u s ASP 196 N -0.15 3.85 0.48 3.32 -1.08 0.35 -4.96 116.67 118.48 1j2u s ASP 196 Ca 0.01 -2.79 0.23 0.00 -0.52 0.00 0.00 52.55 49.48 1j2u s ASP 196 Cb -0.10 -1.22 1.27 0.00 -1.46 0.00 0.00 42.92 41.41 1j2u s ASP 196 CO 0.01 -0.25 1.92 0.25 0.52 0.00 0.00 175.17 177.62 1j2u h LEU 197 N 6.59 0.18 -1.86 -1.34 5.85 -1.96 0.10 115.31 122.88 1j2u h LEU 197 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1j2u h LEU 197 Cb 0.91 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1j2u h LEU 197 CO 0.55 0.08 0.00 0.44 -0.34 0.00 0.00 178.44 179.17 1j2u h ASP 198 N 0.19 0.00 0.15 1.25 3.32 -1.95 -1.59 116.42 117.78 1j2u h ASP 198 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1j2u h ASP 198 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1j2u h ASP 198 CO -0.07 0.00 -0.24 0.54 -1.72 0.00 0.00 179.24 177.75 1j2u n ARG 199 N -2.63 1.09 -1.74 3.56 1.74 0.36 -4.94 116.66 114.10 1j2u n ARG 199 Ca -0.01 -0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 55.95 1j2u n ARG 199 Cb 0.11 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1j2u n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1j2u n VAL 200 N -0.34 1.46 -3.62 1.55 0.31 -0.60 -4.44 118.33 112.65 1j2u n VAL 200 Ca 0.13 -0.36 -0.38 0.00 -0.01 0.00 0.00 64.34 63.71 1j2u n VAL 200 Cb 0.38 -1.88 -0.11 0.00 -0.91 0.00 0.00 33.84 31.32 1j2u n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1j2u s VAL 201 N -0.51 4.98 -1.36 2.52 1.01 -1.26 -5.02 120.40 120.75 1j2u s VAL 201 Ca 0.60 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 1j2u s VAL 201 Cb -0.51 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 32.53 1j2u s VAL 201 CO 0.55 0.17 2.28 -0.67 0.00 0.00 0.00 175.10 177.44 1j2u n ASP 202 N 5.03 6.79 -4.90 3.32 2.03 -1.26 -4.73 116.55 122.83 1j2u n ASP 202 Ca -0.14 -3.02 -0.28 0.00 0.52 0.00 0.00 54.79 51.87 1j2u n ASP 202 Cb 0.51 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 0.21 3.53 0.71 -0.67 -3.43 -1.26 -5.01 115.29 109.37 1j2u s HIS 203 Ca 0.51 0.84 -0.14 0.00 -0.80 0.00 0.00 55.06 55.47 1j2u s HIS 203 Cb 0.15 -2.41 0.03 0.00 -1.43 0.00 0.00 32.58 28.92 1j2u s HIS 203 CO -0.06 -0.40 1.12 -1.25 -2.00 0.00 0.00 174.74 172.16 1j2u s PRO 204 N -4.82 2.45 0.35 -0.38 0.04 -1.26 -4.10 135.00 127.27 1j2u s PRO 204 Ca 0.49 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 1j2u s PRO 204 Cb -0.10 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 1j2u s PRO 204 CO 0.46 -1.53 1.24 -2.30 0.04 0.00 0.00 177.00 174.91 1j2u n PRO 205 N -2.85 1.98 -2.11 0.56 -0.02 -1.26 -4.83 135.00 126.47 1j2u n PRO 205 Ca 0.11 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 1j2u n PRO 205 Cb 0.52 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.11 3.12 0.10 3.55 0.00 0.38 -5.02 121.76 122.78 1j2u s ALA 206 Ca 0.57 1.13 0.07 0.00 0.00 0.00 0.00 51.96 53.72 1j2u s ALA 206 Cb -0.58 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 1j2u s ALA 206 CO 0.61 -0.80 -0.17 0.95 0.00 0.00 0.00 175.76 176.35 1j2u s THR 207 N -1.36 1.44 0.04 0.00 -4.23 -1.26 -5.04 115.64 105.23 1j2u s THR 207 Ca 0.60 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.55 1j2u s THR 207 Cb -0.35 -1.42 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1j2u s THR 207 CO 0.44 -0.22 0.01 -0.36 -0.54 0.00 0.00 174.62 173.95 1j2u s PHE 208 N -1.50 0.34 0.93 3.99 0.40 -1.26 -5.04 117.98 115.85 1j2u s PHE 208 Ca 0.05 -0.74 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 1j2u s PHE 208 Cb -0.08 -0.25 0.15 0.00 0.51 0.00 0.00 43.02 43.34 1j2u s PHE 208 CO 0.04 -0.33 1.09 -1.25 0.70 0.00 0.00 175.22 175.47 1j2u s PRO 209 N -2.86 0.98 -0.05 0.24 0.04 -1.26 -4.88 135.00 127.21 1j2u s PRO 209 Ca -0.03 0.67 -0.02 0.00 0.04 0.00 0.00 61.00 61.66 1j2u s PRO 209 Cb 0.00 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 1j2u s PRO 209 CO -0.06 -2.39 2.58 -0.35 0.04 0.00 0.00 177.00 176.82 1j2u n PRO 210 N -3.96 1.48 -3.73 0.56 -0.04 -1.26 -4.77 135.00 123.27 1j2u n PRO 210 Ca 0.06 -0.60 -0.09 0.00 -0.04 0.00 0.00 63.50 62.84 1j2u n PRO 210 Cb 0.56 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.06 -0.24 0.07 0.54 -0.85 -1.26 -5.18 117.35 110.49 1j2u s TYR 211 Ca 0.28 -0.13 0.10 0.00 -0.52 0.00 0.00 57.07 56.80 1j2u s TYR 211 Cb 0.15 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 43.05 1j2u s TYR 211 CO -0.01 -1.08 -0.26 -0.51 -1.52 0.00 0.00 175.55 172.17 1j2u s ASP 212 N -2.87 3.25 -0.06 -0.18 1.11 -1.26 -5.09 116.67 111.57 1j2u s ASP 212 Ca 0.09 -0.63 0.05 0.00 0.18 0.00 0.00 52.55 52.24 1j2u s ASP 212 Cb -0.04 -0.29 -0.01 0.00 1.07 0.00 0.00 42.92 43.66 1j2u s ASP 212 CO 0.00 0.24 -0.22 -0.69 1.18 0.00 0.00 175.17 175.68 1j2u s VAL 213 N -0.89 1.80 -0.01 -1.27 1.01 -1.26 -5.13 120.40 114.65 1j2u s VAL 213 Ca 0.13 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1j2u s VAL 213 Cb -0.10 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1j2u s VAL 213 CO 0.03 0.51 -0.11 -0.36 0.00 0.00 0.00 175.10 175.17 1j2u s PHE 214 N -0.02 1.04 0.61 5.22 0.08 -1.26 -3.63 117.98 120.02 1j2u s PHE 214 Ca -0.05 -0.21 -0.19 0.00 0.12 0.00 0.00 56.93 56.59 1j2u s PHE 214 Cb -0.13 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.60 1j2u s PHE 214 CO 0.04 -0.04 1.31 -2.14 -0.10 0.00 0.00 175.22 174.29 1j2u s PRO 215 N -0.17 2.80 0.20 0.24 0.02 -1.26 -5.07 135.00 131.76 1j2u s PRO 215 Ca 0.03 2.10 -0.32 0.00 0.02 0.00 0.00 61.00 62.83 1j2u s PRO 215 Cb -0.06 -2.00 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 1j2u s PRO 215 CO -0.00 -1.42 1.73 0.54 -0.33 0.00 0.00 177.00 177.52 1j2u s VAL 216 N -1.38 2.08 -0.48 3.83 0.11 -1.24 -4.96 120.40 118.37 1j2u s VAL 216 Ca 0.78 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.66 1j2u s VAL 216 Cb -0.38 -3.02 0.04 0.00 -1.53 0.00 0.00 36.38 31.49 1j2u s VAL 216 CO 0.42 0.00 0.64 -0.62 -3.33 0.00 0.00 175.10 172.21 1j2u s ASP 217 N 1.31 6.27 0.57 3.54 3.68 -1.26 -4.97 116.67 125.82 1j2u s ASP 217 Ca 0.75 -0.62 0.27 0.00 2.13 0.00 0.00 52.55 55.08 1j2u s ASP 217 Cb -0.49 -2.31 1.61 0.00 -1.45 0.00 0.00 42.92 40.28 1j2u s ASP 217 CO 0.32 -0.85 2.12 -0.65 0.13 0.00 0.00 175.17 176.25 1j2u h PRO 218 N 8.95 0.00 0.00 4.34 0.11 -1.95 -1.46 132.00 141.99 1j2u h PRO 218 Ca -0.26 0.00 -0.01 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 32.20 1j2u h PRO 218 CO 0.93 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.68 1j2u h ALA 219 N 1.83 1.22 -0.00 -0.75 0.00 -2.00 -2.46 119.26 117.10 1j2u h ALA 219 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j2u h ALA 219 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j2u h ALA 219 CO -0.00 0.05 -0.01 0.54 0.00 0.00 0.00 179.25 179.83 1j2u n ARG 220 N -3.45 1.15 -4.63 0.00 1.74 -0.55 -4.75 116.66 106.17 1j2u n ARG 220 Ca -0.02 -0.28 -0.34 0.00 -0.77 0.00 0.00 57.85 56.44 1j2u n ARG 220 Cb 0.16 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 29.98 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 -2.04 3.60 0.24 0.55 2.01 -0.93 -4.91 115.64 114.15 1j2u s THR 221 Ca 0.44 -0.50 -0.31 0.00 0.31 0.00 0.00 61.69 61.62 1j2u s THR 221 Cb 0.22 -2.49 -0.14 0.00 0.01 0.00 0.00 72.50 70.10 1j2u s THR 221 CO 0.37 0.57 1.32 -2.65 -0.69 0.00 0.00 174.62 173.54 1j2u n PRO 222 N 2.62 1.80 -0.32 4.92 -0.02 -1.26 -4.85 135.00 137.89 1j2u n PRO 222 Ca -0.18 0.64 0.17 0.00 -2.02 0.00 0.00 63.50 62.11 1j2u n PRO 222 Cb 0.53 -2.24 0.36 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.76 1.62 0.00 3.55 0.00 -1.90 0.94 119.26 127.23 1j2u h ALA 223 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1j2u h ALA 223 Cb 1.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1j2u h ALA 223 CO 0.72 -0.39 0.00 -1.35 0.00 0.00 0.00 179.25 178.23 1j2u h PRO 224 N 0.40 0.00 0.00 0.00 0.11 -1.98 -3.46 132.00 127.07 1j2u h PRO 224 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1j2u h PRO 224 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1j2u h PRO 224 CO -0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.65 1j2u n GLY 225 N -0.43 1.79 3.81 -0.55 0.00 0.32 -3.71 105.19 106.43 1j2u n GLY 225 Ca 0.00 0.00 -0.34 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 -2.41 4.23 -0.20 2.61 -4.23 -1.26 -4.43 115.64 109.95 1j2u s THR 226 Ca 0.00 1.43 0.22 0.00 -1.18 0.00 0.00 61.69 62.16 1j2u s THR 226 Cb 0.00 -3.60 -0.15 0.00 1.34 0.00 0.00 72.50 70.10 1j2u s THR 226 CO 0.00 -0.26 0.83 0.18 -0.54 0.00 0.00 174.62 174.82 1j2u n LEU 227 N -0.61 0.50 -3.77 4.79 4.77 -0.73 -4.37 117.00 117.58 1j2u n LEU 227 Ca 0.07 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 1j2u n LEU 227 Cb 0.53 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1j2u n LEU 227 CO 0.38 -0.09 0.01 -0.94 -1.33 0.00 0.00 177.39 175.42 1j2u s SER 228 N -4.86 -0.05 0.12 -1.43 1.04 -1.20 -0.47 113.70 106.85 1j2u s SER 228 Ca -0.03 -0.41 -0.30 0.00 0.48 0.00 0.00 55.95 55.69 1j2u s SER 228 Cb 0.12 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 1j2u s SER 228 CO 0.84 -0.71 0.97 -0.55 0.98 0.00 0.00 173.24 174.77 1j2u s SER 229 N -2.55 7.49 -0.19 7.02 0.15 -1.26 -3.93 113.70 120.44 1j2u s SER 229 Ca 0.01 1.82 0.14 0.00 0.70 0.00 0.00 55.95 58.62 1j2u s SER 229 Cb 0.02 -2.59 0.73 0.00 -1.71 0.00 0.00 66.02 62.47 1j2u s SER 229 CO -0.08 -0.07 1.62 0.00 1.20 0.00 0.00 173.24 175.91 1j2u n ALA 230 N 2.70 3.57 -0.28 5.45 0.00 -1.26 -3.81 120.51 126.88 1j2u n ALA 230 Ca 0.02 -1.66 0.10 0.00 0.00 0.00 0.00 53.44 51.89 1j2u n ALA 230 Cb 0.49 -1.09 0.25 0.00 0.00 0.00 0.00 19.45 19.09 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 3.68 0.32 -0.62 0.00 3.64 -1.92 0.70 116.57 122.37 1j2u h LYS 231 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1j2u h LYS 231 Cb 1.72 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1j2u h LYS 231 CO 0.39 0.21 0.00 0.25 -2.27 0.00 0.00 179.45 178.03 1j2u n THR 232 N -5.11 1.34 -1.96 1.00 -2.24 -1.26 -4.93 114.28 101.12 1j2u n THR 232 Ca 0.18 -0.83 -0.37 0.00 -2.27 0.00 0.00 64.05 60.77 1j2u n THR 232 Cb 0.56 -0.04 0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.81 2.58 0.05 6.98 0.00 0.24 -5.03 121.76 124.77 1j2u s ALA 233 Ca 0.36 1.08 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 1j2u s ALA 233 Cb 0.24 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.93 1j2u s ALA 233 CO 0.16 -1.23 0.52 -1.54 0.00 0.00 0.00 175.76 173.68 1j2u s SER 234 N -1.46 -0.44 0.29 0.00 1.04 -1.26 -4.93 113.70 106.94 1j2u s SER 234 Ca 0.77 0.17 0.01 0.00 0.48 0.00 0.00 55.95 57.38 1j2u s SER 234 Cb -0.33 0.49 0.52 0.00 0.10 0.00 0.00 66.02 66.80 1j2u s SER 234 CO 0.36 -0.72 1.87 -0.09 0.98 0.00 0.00 173.24 175.64 1j2u h ARG 235 N 2.80 1.01 -0.50 4.02 2.43 -1.86 -1.26 114.38 121.02 1j2u h ARG 235 Ca -0.31 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1j2u h ARG 235 Cb 1.21 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1j2u h ARG 235 CO 0.41 0.67 0.26 0.93 -1.51 0.00 0.00 179.97 180.73 1j2u h GLU 236 N 1.04 0.71 -0.86 0.20 3.07 -1.96 -0.57 114.58 116.22 1j2u h GLU 236 Ca 0.46 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.19 1j2u h GLU 236 Cb 0.35 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 1j2u h GLU 236 CO -0.21 0.57 0.41 0.87 -1.40 0.00 0.00 179.01 179.25 1j2u h LYS 237 N 0.67 1.23 -0.66 2.33 1.57 -1.73 -2.26 116.57 117.72 1j2u h LYS 237 Ca 0.18 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1j2u h LYS 237 Cb 0.08 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1j2u h LYS 237 CO -0.03 0.95 0.43 0.78 -0.57 0.00 0.00 179.45 181.01 1j2u h GLY 238 N 1.22 0.93 1.03 3.86 0.00 -0.66 -0.75 103.07 108.70 1j2u h GLY 238 Ca 0.29 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1j2u h GLY 238 CO -0.04 0.31 0.22 0.83 0.00 0.00 0.00 176.54 177.86 1j2u h GLU 239 N 0.86 1.04 -0.25 4.80 5.08 -0.76 -0.32 114.58 125.03 1j2u h GLU 239 Ca 0.25 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1j2u h GLU 239 Cb -0.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1j2u h GLU 239 CO -0.07 0.90 0.08 1.25 -1.00 0.00 0.00 179.01 180.16 1j2u h LEU 240 N 0.97 0.36 -0.21 1.33 5.85 -1.06 -1.86 115.31 120.69 1j2u h LEU 240 Ca 0.22 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1j2u h LEU 240 Cb 0.28 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1j2u h LEU 240 CO -0.01 0.46 0.09 0.40 -0.34 0.00 0.00 178.44 179.05 1j2u h ILE 241 N 0.24 0.98 -0.26 4.05 2.04 -0.91 -1.82 117.51 121.82 1j2u h ILE 241 Ca 0.08 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1j2u h ILE 241 Cb 0.23 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1j2u h ILE 241 CO -0.00 0.04 -0.03 0.25 0.00 0.00 0.00 178.15 178.40 1j2u h LEU 242 N 0.20 -0.17 -0.58 1.44 5.85 -0.89 0.73 115.31 121.89 1j2u h LEU 242 Ca 0.09 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1j2u h LEU 242 Cb 0.04 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1j2u h LEU 242 CO -0.07 -0.05 0.16 -0.08 -0.34 0.00 0.00 178.44 178.06 1j2u h GLU 243 N 0.04 0.91 -0.40 1.25 4.57 -1.13 -0.25 114.58 119.57 1j2u h GLU 243 Ca 0.12 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1j2u h GLU 243 Cb 0.18 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1j2u h GLU 243 CO -0.24 0.83 0.19 0.28 -1.18 0.00 0.00 179.01 178.90 1j2u h VAL 244 N 0.83 1.17 -0.14 0.32 2.07 -0.81 -0.51 116.25 119.19 1j2u h VAL 244 Ca 0.18 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1j2u h VAL 244 Cb 0.32 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1j2u h VAL 244 CO -0.00 0.19 0.02 0.00 0.02 0.00 0.00 177.57 177.79 1j2u h VAL 246 N -0.00 1.11 -0.23 0.00 2.07 -1.00 0.05 116.25 118.26 1j2u h VAL 246 Ca 0.04 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1j2u h VAL 246 Cb 0.31 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1j2u h VAL 246 CO 0.00 0.11 0.04 -0.61 0.02 0.00 0.00 177.57 177.14 1j2u h GLN 247 N 0.28 0.37 -0.55 1.57 5.75 -1.07 -0.97 115.11 120.49 1j2u h GLN 247 Ca 0.09 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1j2u h GLN 247 Cb 0.06 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1j2u h GLN 247 CO -0.01 0.50 0.30 0.78 -2.65 0.00 0.00 178.83 177.75 1j2u h GLY 248 N 0.19 0.82 1.06 2.39 0.00 -0.96 -1.64 103.07 104.93 1j2u h GLY 248 Ca 0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 47.33 46.87 1j2u h GLY 248 CO 0.00 0.35 -0.46 -2.22 0.00 0.00 0.00 176.54 174.21 1j2u h ILE 249 N 0.74 1.29 -0.46 2.60 2.04 -0.95 -1.53 117.51 121.24 1j2u h ILE 249 Ca 0.19 -1.66 0.05 0.00 1.00 0.00 0.00 64.86 64.45 1j2u h ILE 249 Cb 0.04 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1j2u h ILE 249 CO -0.03 0.53 0.19 0.00 0.00 0.00 0.00 178.15 178.84 1j2u h ALA 250 N 0.66 0.57 -0.63 1.87 0.00 -1.06 0.30 119.26 120.98 1j2u h ALA 250 Ca 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1j2u h ALA 250 Cb 1.07 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1j2u h ALA 250 CO 0.10 -0.19 0.20 -0.44 0.00 0.00 0.00 179.25 178.93 1j2u h ASP 251 N 0.38 0.91 -0.50 0.00 3.32 -1.17 -1.28 116.42 118.07 1j2u h ASP 251 Ca 0.21 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1j2u h ASP 251 Cb 0.18 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1j2u h ASP 251 CO -0.20 0.87 0.17 0.00 -1.72 0.00 0.00 179.24 178.37 1j2u h ALA 252 N 1.07 0.65 -0.58 3.45 0.00 -0.68 -1.14 119.26 122.03 1j2u h ALA 252 Ca 0.20 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1j2u h ALA 252 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1j2u h ALA 252 CO -0.01 0.29 0.12 0.82 0.00 0.00 0.00 179.25 180.48 1j2u h ILE 253 N 0.68 1.25 -0.78 0.00 2.04 -0.78 0.13 117.51 120.04 1j2u h ILE 253 Ca 0.16 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1j2u h ILE 253 Cb 0.25 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1j2u h ILE 253 CO -0.01 0.35 0.44 0.03 0.00 0.00 0.00 178.15 178.96 1j2u h ARG 254 N 0.85 1.07 -0.37 2.37 3.08 -1.01 0.67 114.38 121.05 1j2u h ARG 254 Ca 0.18 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 1j2u h ARG 254 Cb 0.38 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1j2u h ARG 254 CO 0.01 0.77 -0.18 1.49 -1.07 0.00 0.00 179.97 180.99 1j2u h GLU 255 N 1.08 0.77 0.00 0.04 4.81 -0.73 -2.68 114.58 117.87 1j2u h GLU 255 Ca 0.28 -0.34 -0.21 0.00 -0.13 0.00 0.00 59.36 58.96 1j2u h GLU 255 Cb -0.01 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1j2u h GLU 255 CO -0.05 0.96 -1.00 0.93 -0.73 0.00 0.00 179.01 179.12 1j2u h GLU 256 N 0.57 0.00 -2.12 1.92 4.39 -0.37 -3.38 114.58 115.59 1j2u h GLU 256 Ca 0.08 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.20 1j2u h GLU 256 Cb 0.72 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.96 1j2u h GLU 256 CO 0.05 0.95 -0.78 1.19 -1.16 0.00 0.00 179.01 179.27 1j2u n PHE 257 N -3.33 2.21 -1.56 4.33 3.72 0.23 -5.09 117.46 117.98 1j2u n PHE 257 Ca -0.01 -3.94 -0.33 0.00 -0.05 0.00 0.00 57.45 53.12 1j2u n PHE 257 Cb 0.93 -0.48 0.07 0.00 -0.94 0.00 0.00 39.48 39.06 1j2u n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j2u s PRO 258 N -2.01 2.44 0.00 -1.08 0.04 -1.01 -4.62 135.00 128.75 1j2u s PRO 258 Ca 0.38 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1j2u s PRO 258 Cb 0.16 -1.89 0.26 0.00 0.04 0.00 0.00 34.50 33.06 1j2u s PRO 258 CO -0.05 -1.56 0.74 -2.30 0.04 0.00 0.00 177.00 173.87