#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxj n LEU 13 N 0.00 1.44 -4.71 3.41 4.77 -1.26 -4.84 117.00 115.81 1sxj n LEU 13 Ca 0.00 1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 56.68 1sxj n LEU 13 Cb 0.00 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 1sxj n LEU 13 CO 0.00 -1.14 1.38 -2.65 -1.33 0.00 0.00 177.39 173.65 1sxj n PRO 14 N 2.50 2.74 -0.05 3.23 -0.02 -1.26 -4.19 135.00 137.95 1sxj n PRO 14 Ca 0.19 0.99 0.03 0.00 -2.02 0.00 0.00 63.50 62.69 1sxj n PRO 14 Cb 0.17 -2.84 0.05 0.00 -0.02 0.00 0.00 33.50 30.86 1sxj n PRO 14 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sxj n TRP 15 N 4.27 0.11 -0.35 6.00 7.02 -1.26 0.16 117.44 133.38 1sxj n TRP 15 Ca 0.16 0.18 0.25 0.00 -1.02 0.00 0.00 57.50 57.07 1sxj n TRP 15 Cb 0.35 -0.62 0.51 0.00 -2.42 0.00 0.00 31.31 29.13 1sxj n TRP 15 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1sxj h VAL 16 N 0.00 0.38 0.03 -0.99 2.07 -1.86 -1.26 116.25 114.62 1sxj h VAL 16 Ca 0.10 -0.12 -0.38 0.00 0.82 0.00 0.00 66.70 67.12 1sxj h VAL 16 Cb 0.21 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 1sxj h VAL 16 CO -0.13 0.06 -2.36 -0.62 0.02 0.00 0.00 177.57 174.54 1sxj n GLU 17 N -4.79 0.68 -0.27 1.57 -0.58 0.41 -4.53 120.64 113.13 1sxj n GLU 17 Ca 0.30 0.18 0.06 0.00 -0.42 0.00 0.00 57.16 57.28 1sxj n GLU 17 Cb 1.00 -1.57 0.17 0.00 -0.57 0.00 0.00 31.44 30.48 1sxj n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1sxj h LYS 18 N 0.01 0.08 -1.21 3.49 3.64 -0.72 -1.83 116.57 120.03 1sxj h LYS 18 Ca -0.54 -0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.33 1sxj h LYS 18 Cb 1.93 -0.02 -0.22 0.00 -0.41 0.00 0.00 32.23 33.51 1sxj h LYS 18 CO -0.05 0.05 0.66 0.66 -2.27 0.00 0.00 179.45 178.50 1sxj n TYR 19 N -5.39 2.47 -2.70 1.91 4.01 -0.59 -4.96 117.16 111.91 1sxj n TYR 19 Ca 0.15 -2.46 -0.43 0.00 -0.16 0.00 0.00 57.90 55.00 1sxj n TYR 19 Cb 0.51 -1.19 -0.02 0.00 -0.31 0.00 0.00 39.34 38.32 1sxj n TYR 19 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1sxj s ARG 20 N -2.90 4.25 -0.23 -0.72 3.52 -0.69 -4.95 118.95 117.23 1sxj s ARG 20 Ca 0.49 1.29 -0.41 0.00 -0.13 0.00 0.00 55.73 56.97 1sxj s ARG 20 Cb 0.39 -3.64 -0.19 0.00 -1.56 0.00 0.00 34.95 29.95 1sxj s ARG 20 CO 0.00 -0.59 1.26 -2.30 -0.81 0.00 0.00 175.30 172.85 1sxj n PRO 21 N 6.20 0.00 0.00 5.12 -0.02 -1.26 -4.83 135.00 140.21 1sxj n PRO 21 Ca 0.11 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.51 1sxj n PRO 21 Cb 0.46 -1.42 -0.13 0.00 -0.02 0.00 0.00 33.50 32.39 1sxj n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1sxj h GLU 22 N 3.76 0.00 -4.66 -0.52 5.08 -1.92 -3.46 114.58 112.85 1sxj h GLU 22 Ca -0.45 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.64 1sxj h GLU 22 Cb 1.33 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.43 1sxj h GLU 22 CO 0.77 0.59 -0.62 0.95 -1.00 0.00 0.00 179.01 179.70 1sxj s THR 23 N -2.65 0.18 0.39 1.13 -4.23 -1.26 -4.75 115.64 104.46 1sxj s THR 23 Ca -0.03 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.57 1sxj s THR 23 Cb 0.08 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.74 1sxj s THR 23 CO 0.82 -0.06 1.98 -0.07 -0.54 0.00 0.00 174.62 176.76 1sxj h LEU 24 N 2.58 0.53 0.00 4.79 3.38 -1.92 -1.00 115.31 123.68 1sxj h LEU 24 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1sxj h LEU 24 Cb 1.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1sxj h LEU 24 CO 0.56 0.35 0.00 0.47 0.09 0.00 0.00 178.44 179.91 1sxj n ASP 25 N -4.48 0.00 -0.99 -0.43 8.00 -1.26 -2.05 116.55 115.35 1sxj n ASP 25 Ca 0.09 0.28 0.11 0.00 0.71 0.00 0.00 54.79 55.98 1sxj n ASP 25 Cb 0.24 -0.38 0.15 0.00 -0.02 0.00 0.00 41.12 41.11 1sxj n ASP 25 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sxj n GLU 26 N -1.38 2.25 -3.15 -1.24 1.02 -0.38 -4.91 120.64 112.85 1sxj n GLU 26 Ca 0.05 -2.03 -0.40 0.00 -0.02 0.00 0.00 57.16 54.76 1sxj n GLU 26 Cb 0.12 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1sxj n GLU 26 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sxj s VAL 27 N -1.61 5.06 -0.12 2.62 1.01 -0.87 -4.62 120.40 121.87 1sxj s VAL 27 Ca 0.31 1.16 -0.09 0.00 0.00 0.00 0.00 61.98 63.37 1sxj s VAL 27 Cb 0.20 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1sxj s VAL 27 CO 0.29 0.18 0.17 -0.31 0.00 0.00 0.00 175.10 175.43 1sxj s TYR 28 N 1.47 3.57 -0.98 5.22 2.02 -1.26 -4.54 117.35 122.84 1sxj s TYR 28 Ca 0.29 0.55 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 1sxj s TYR 28 Cb -0.16 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 1sxj s TYR 28 CO 0.11 0.63 0.00 0.41 -1.57 0.00 0.00 175.55 175.14 1sxj n GLY 29 N 2.29 0.93 1.04 0.71 0.00 -1.26 -4.88 105.19 104.03 1sxj n GLY 29 Ca -0.18 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.30 1sxj n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sxj n GLN 30 N -2.59 0.45 -0.15 1.61 1.13 -1.26 -4.82 117.38 111.74 1sxj n GLN 30 Ca -0.10 -2.18 -0.03 0.00 -1.94 0.00 0.00 57.00 52.75 1sxj n GLN 30 Cb 0.36 -0.55 0.03 0.00 0.11 0.00 0.00 30.24 30.19 1sxj n GLN 30 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1sxj h ASN 31 N 0.77 -0.50 -0.71 1.08 4.21 -1.89 -0.29 115.58 118.24 1sxj h ASN 31 Ca -0.13 0.15 0.21 0.00 1.21 0.00 0.00 56.30 57.74 1sxj h ASN 31 Cb 1.55 0.32 -0.03 0.00 -1.12 0.00 0.00 38.32 39.05 1sxj h ASN 31 CO 0.05 -0.18 0.60 -0.33 -1.29 0.00 0.00 177.43 176.29 1sxj h GLU 32 N -0.02 0.00 0.00 0.81 5.08 -2.00 0.13 114.58 118.58 1sxj h GLU 32 Ca 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1sxj h GLU 32 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1sxj h GLU 32 CO -0.51 0.00 -0.13 0.28 -1.00 0.00 0.00 179.01 177.65 1sxj h VAL 33 N 0.00 1.13 -0.44 3.13 2.07 -1.48 -3.13 116.25 117.54 1sxj h VAL 33 Ca 0.34 -1.89 0.08 0.00 0.82 0.00 0.00 66.70 66.05 1sxj h VAL 33 Cb 1.53 2.18 -0.07 0.00 -1.52 0.00 0.00 31.29 33.41 1sxj h VAL 33 CO -0.00 0.38 -0.00 0.40 0.02 0.00 0.00 177.57 178.37 1sxj h ILE 34 N -1.00 0.66 -0.10 4.57 1.08 -0.44 -0.64 117.51 121.65 1sxj h ILE 34 Ca -0.03 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1sxj h ILE 34 Cb 0.72 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1sxj h ILE 34 CO -0.02 0.02 0.06 0.74 -0.69 0.00 0.00 178.15 178.26 1sxj h THR 35 N 0.11 1.08 -0.15 -0.27 2.02 -0.96 -0.88 112.91 113.86 1sxj h THR 35 Ca 0.22 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1sxj h THR 35 Cb 0.31 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1sxj h THR 35 CO -0.36 0.07 0.07 0.74 0.37 0.00 0.00 175.52 176.41 1sxj h THR 36 N 0.07 1.12 0.26 3.16 2.02 -1.44 -0.61 112.91 117.50 1sxj h THR 36 Ca 0.04 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1sxj h THR 36 Cb 0.07 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1sxj h THR 36 CO -0.01 0.11 -0.30 0.58 0.37 0.00 0.00 175.52 176.28 1sxj h VAL 37 N 0.11 0.38 -0.95 3.16 2.07 -1.06 0.67 116.25 120.62 1sxj h VAL 37 Ca 0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.65 1sxj h VAL 37 Cb 0.12 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 1sxj h VAL 37 CO -0.01 0.00 0.61 0.03 0.02 0.00 0.00 177.57 178.23 1sxj h ARG 38 N -0.60 1.01 -0.51 1.57 3.08 -1.11 -1.03 114.38 116.79 1sxj h ARG 38 Ca -0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1sxj h ARG 38 Cb 0.56 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1sxj h ARG 38 CO -0.08 0.67 0.18 0.87 -1.07 0.00 0.00 179.97 180.54 1sxj h LYS 39 N 1.04 0.78 -0.68 0.04 1.57 -0.60 -1.85 116.57 116.88 1sxj h LYS 39 Ca 0.43 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 59.13 1sxj h LYS 39 Cb 0.28 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1sxj h LYS 39 CO -0.18 0.71 0.35 0.74 -0.57 0.00 0.00 179.45 180.50 1sxj h PHE 40 N 0.68 0.63 -0.33 -1.35 0.05 0.35 -0.64 116.94 116.34 1sxj h PHE 40 Ca 0.17 0.03 -0.10 0.00 3.82 0.00 0.00 57.97 61.88 1sxj h PHE 40 Cb 0.24 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 1sxj h PHE 40 CO 0.01 0.26 -0.18 -0.39 -0.18 0.00 0.00 178.31 177.83 1sxj h VAL 41 N 0.62 1.29 0.00 -0.55 -1.51 -1.03 -0.71 116.25 114.36 1sxj h VAL 41 Ca 0.32 -1.30 -0.02 0.00 -1.23 0.00 0.00 66.70 64.47 1sxj h VAL 41 Cb 0.28 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1sxj h VAL 41 CO -0.23 0.42 -0.09 -0.78 -1.23 0.00 0.00 177.57 175.66 1sxj h ASP 42 N 0.48 0.00 -0.38 4.19 1.82 -0.97 -2.12 116.42 119.43 1sxj h ASP 42 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1sxj h ASP 42 Cb 0.72 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.73 1sxj h ASP 42 CO 0.05 0.09 0.00 1.21 -1.61 0.00 0.00 179.24 178.98 1sxj n GLU 43 N -3.36 2.41 -3.39 0.28 2.13 -0.28 -4.98 120.64 113.46 1sxj n GLU 43 Ca -0.01 -2.22 -0.24 0.00 0.66 0.00 0.00 57.16 55.35 1sxj n GLU 43 Cb 0.26 -1.47 0.04 0.00 0.27 0.00 0.00 31.44 30.54 1sxj n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxj n GLY 44 N 1.36 -0.53 1.82 8.31 0.00 -0.80 -4.90 105.19 110.45 1sxj n GLY 44 Ca 0.18 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 1sxj n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sxj n LYS 45 N -4.43 1.50 -1.96 1.61 5.02 -0.33 -5.04 118.16 114.53 1sxj n LYS 45 Ca -0.04 -3.11 -0.43 0.00 -2.02 0.00 0.00 58.31 52.72 1sxj n LYS 45 Cb 0.58 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.34 1sxj n LYS 45 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sxj s LEU 46 N -2.44 3.87 0.81 -0.35 2.96 -1.20 -4.90 118.68 117.43 1sxj s LEU 46 Ca 0.36 1.80 -0.06 0.00 -0.22 0.00 0.00 54.13 56.01 1sxj s LEU 46 Cb 0.37 -3.53 0.16 0.00 0.50 0.00 0.00 46.19 43.69 1sxj s LEU 46 CO -0.07 -1.38 1.11 -2.16 -1.32 0.00 0.00 176.35 172.54 1sxj s PRO 47 N 4.99 1.28 0.38 0.98 0.04 -1.26 -5.02 135.00 136.39 1sxj s PRO 47 Ca 0.79 -0.90 -0.27 0.00 0.04 0.00 0.00 61.00 60.67 1sxj s PRO 47 Cb -0.29 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 1sxj s PRO 47 CO 0.32 -1.81 1.26 -1.01 0.04 0.00 0.00 177.00 175.80 1sxj s HIS 48 N -3.41 2.97 0.02 0.56 3.76 -1.26 -4.82 115.29 113.11 1sxj s HIS 48 Ca 0.69 1.46 0.06 0.00 -0.15 0.00 0.00 55.06 57.13 1sxj s HIS 48 Cb -0.04 -3.58 -0.03 0.00 1.11 0.00 0.00 32.58 30.03 1sxj s HIS 48 CO 0.47 -1.77 -0.18 -0.51 -0.85 0.00 0.00 174.74 171.91 1sxj s LEU 49 N -2.26 2.61 -0.20 0.89 1.43 0.47 -0.61 118.68 121.01 1sxj s LEU 49 Ca 0.55 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1sxj s LEU 49 Cb -0.36 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.39 1sxj s LEU 49 CO 0.47 0.28 -0.03 -0.22 0.23 0.00 0.00 176.35 177.08 1sxj s LEU 50 N -1.24 1.84 -0.42 1.79 1.98 -0.80 0.13 118.68 121.95 1sxj s LEU 50 Ca 0.14 -0.88 -0.11 0.00 -2.89 0.00 0.00 54.13 50.38 1sxj s LEU 50 Cb -0.10 -0.92 0.07 0.00 0.66 0.00 0.00 46.19 45.89 1sxj s LEU 50 CO 0.04 -0.23 0.28 -0.36 -1.89 0.00 0.00 176.35 174.19 1sxj s PHE 51 N 1.61 3.29 0.08 5.38 0.08 0.12 -0.90 117.98 127.64 1sxj s PHE 51 Ca -0.02 -1.25 0.09 0.00 0.12 0.00 0.00 56.93 55.87 1sxj s PHE 51 Cb -0.17 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.34 1sxj s PHE 51 CO -0.07 -0.79 -0.25 1.52 -0.10 0.00 0.00 175.22 175.53 1sxj s TYR 52 N 1.51 2.14 0.00 0.36 -0.85 -1.12 -1.29 117.35 118.10 1sxj s TYR 52 Ca 0.03 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 1sxj s TYR 52 Cb -0.23 -1.23 0.00 0.00 0.38 0.00 0.00 41.96 40.89 1sxj s TYR 52 CO 0.04 0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.68 1sxj n GLY 53 N 1.41 -0.68 2.74 5.49 0.00 -0.55 0.52 105.19 114.12 1sxj n GLY 53 Ca -0.18 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 1sxj n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sxj n PRO 54 N -0.39 -1.60 -1.94 1.61 -0.02 -1.26 -4.00 135.00 127.40 1sxj n PRO 54 Ca 0.00 -1.43 -0.38 0.00 -2.02 0.00 0.00 63.50 59.68 1sxj n PRO 54 Cb 0.00 -1.09 0.03 0.00 -0.02 0.00 0.00 33.50 32.42 1sxj n PRO 54 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1sxj s PRO 55 N -5.02 3.22 -1.01 0.52 0.02 -1.26 -4.04 135.00 127.42 1sxj s PRO 55 Ca 0.54 2.04 -0.14 0.00 0.02 0.00 0.00 61.00 63.46 1sxj s PRO 55 Cb -0.03 -2.21 -0.00 0.00 0.02 0.00 0.00 34.50 32.28 1sxj s PRO 55 CO 0.39 -1.06 0.73 0.41 -0.33 0.00 0.00 177.00 177.14 1sxj n GLY 56 N 0.63 -1.09 0.00 0.52 0.00 -1.26 -4.62 105.19 99.37 1sxj n GLY 56 Ca 0.11 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1sxj n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sxj n THR 57 N -3.54 0.00 0.00 2.61 -1.04 -1.26 -2.13 114.28 108.91 1sxj n THR 57 Ca -0.13 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1sxj n THR 57 Cb 0.60 1.00 0.00 0.00 -1.82 0.00 0.00 70.33 70.11 1sxj n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sxj n GLY 58 N 0.87 1.10 0.47 3.41 0.00 -1.26 -4.91 105.19 104.88 1sxj n GLY 58 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1sxj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sxj h LYS 59 N 2.14 -0.98 -0.72 1.61 1.57 -1.95 0.13 116.57 118.37 1sxj h LYS 59 Ca 0.00 0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1sxj h LYS 59 Cb 0.00 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1sxj h LYS 59 CO 0.00 -0.66 0.18 1.15 -0.57 0.00 0.00 179.45 179.56 1sxj h THR 60 N -1.02 1.26 -0.31 -0.16 2.02 -1.97 -2.69 112.91 110.04 1sxj h THR 60 Ca -0.07 -0.97 0.05 0.00 0.77 0.00 0.00 66.41 66.19 1sxj h THR 60 Cb 0.86 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1sxj h THR 60 CO 0.01 0.38 0.03 0.28 0.37 0.00 0.00 175.52 176.59 1sxj h SER 61 N 1.09 -0.06 -0.10 4.18 0.02 -1.90 -2.29 113.55 114.49 1sxj h SER 61 Ca 0.23 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1sxj h SER 61 Cb 0.37 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1sxj h SER 61 CO 0.00 0.01 -0.02 0.74 -1.14 0.00 0.00 176.83 176.42 1sxj h THR 62 N 0.13 0.91 -0.16 -2.27 2.02 -0.42 -0.68 112.91 112.45 1sxj h THR 62 Ca 0.15 -0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.16 1sxj h THR 62 Cb 0.18 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1sxj h THR 62 CO -0.22 0.00 -0.58 0.16 0.37 0.00 0.00 175.52 175.25 1sxj h ILE 63 N 0.01 1.33 0.13 3.11 -0.00 -1.47 0.40 117.51 121.02 1sxj h ILE 63 Ca 0.05 -1.86 0.01 0.00 -0.00 0.00 0.00 64.86 63.06 1sxj h ILE 63 Cb 0.07 1.84 -0.02 0.00 -0.00 0.00 0.00 36.82 38.71 1sxj h ILE 63 CO -0.09 0.57 -0.17 0.58 -0.00 0.00 0.00 178.15 179.03 1sxj h VAL 64 N 0.38 0.61 -0.19 0.16 2.07 -1.30 0.62 116.25 118.60 1sxj h VAL 64 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sxj h VAL 64 Cb 1.12 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1sxj h VAL 64 CO 0.11 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.81 1sxj h ALA 65 N 0.47 0.25 -0.95 1.67 0.00 -0.97 -0.56 119.26 119.16 1sxj h ALA 65 Ca 0.02 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1sxj h ALA 65 Cb 0.35 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1sxj h ALA 65 CO -0.08 -0.23 0.59 1.25 0.00 0.00 0.00 179.25 180.79 1sxj h LEU 66 N 0.22 0.90 -0.42 0.00 5.85 0.20 -0.26 115.31 121.80 1sxj h LEU 66 Ca 0.07 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1sxj h LEU 66 Cb 0.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1sxj h LEU 66 CO -0.01 0.52 -0.01 0.00 -0.34 0.00 0.00 178.44 178.60 1sxj h ALA 67 N 1.49 0.56 0.01 1.25 0.00 0.75 -1.58 119.26 121.74 1sxj h ALA 67 Ca 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sxj h ALA 67 Cb 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sxj h ALA 67 CO -0.23 0.36 -0.00 0.00 0.00 0.00 0.00 179.25 179.37 1sxj h ARG 68 N 0.57 -0.01 -0.96 0.00 3.08 -0.21 -0.84 114.38 116.01 1sxj h ARG 68 Ca 0.12 0.00 0.38 0.00 0.07 0.00 0.00 59.98 60.55 1sxj h ARG 68 Cb 0.50 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.40 1sxj h ARG 68 CO 0.02 -0.01 0.55 -1.91 -1.07 0.00 0.00 179.97 177.56 1sxj n GLU 69 N -2.12 -0.05 -0.01 0.04 2.13 -0.19 0.21 120.64 120.65 1sxj n GLU 69 Ca -0.00 1.17 -0.16 0.00 0.66 0.00 0.00 57.16 58.83 1sxj n GLU 69 Cb 0.00 -2.16 -0.11 0.00 0.27 0.00 0.00 31.44 29.44 1sxj n GLU 69 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1sxj h ILE 70 N 0.00 1.51 0.00 6.31 2.04 -0.94 -3.38 117.51 123.04 1sxj h ILE 70 Ca 0.75 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1sxj h ILE 70 Cb 2.10 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 40.92 1sxj h ILE 70 CO -0.60 0.57 -1.19 -1.22 0.00 0.00 0.00 178.15 175.71 1sxj n TYR 71 N -4.38 0.00 0.00 1.37 4.02 -0.05 -5.05 117.16 113.07 1sxj n TYR 71 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1sxj n TYR 71 Cb 0.58 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 1sxj n TYR 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sxj n GLY 72 N 1.47 1.13 0.01 2.72 0.00 0.55 -2.20 105.19 108.87 1sxj n GLY 72 Ca 0.00 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.39 1sxj n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sxj n LYS 73 N 0.00 0.61 0.00 1.61 5.02 -1.26 -4.13 118.16 120.01 1sxj n LYS 73 Ca 0.00 -0.15 0.03 0.00 -2.02 0.00 0.00 58.31 56.17 1sxj n LYS 73 Cb 0.00 -1.43 0.17 0.00 -0.02 0.00 0.00 35.03 33.75 1sxj n LYS 73 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sxj n ASN 74 N -2.17 0.00 0.00 4.39 3.02 -0.94 -4.17 115.26 115.39 1sxj n ASN 74 Ca -0.05 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1sxj n ASN 74 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1sxj n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxj n TYR 75 N -0.65 0.00 -0.21 3.10 9.36 -1.26 -1.28 117.16 126.22 1sxj n TYR 75 Ca 0.04 0.00 0.31 0.00 3.32 0.00 0.00 57.90 61.57 1sxj n TYR 75 Cb 0.02 -0.24 0.71 0.00 -0.63 0.00 0.00 39.34 39.21 1sxj n TYR 75 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1sxj h SER 76 N 0.00 0.00 -0.24 2.98 4.64 -1.84 0.23 113.55 119.32 1sxj h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sxj h SER 76 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sxj h SER 76 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1sxj n ASN 77 N -3.95 3.17 0.00 4.97 3.02 -0.97 -4.30 115.26 117.20 1sxj n ASN 77 Ca 0.21 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 1sxj n ASN 77 Cb 1.14 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.16 1sxj n ASN 77 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1sxj n MET 78 N 1.36 3.85 -5.18 3.52 1.56 0.49 -4.75 117.12 117.97 1sxj n MET 78 Ca 0.17 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.31 1sxj n MET 78 Cb 0.59 -0.41 -0.16 0.00 2.15 0.00 0.00 33.22 35.39 1sxj n MET 78 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1sxj s VAL 79 N -0.74 1.92 -0.22 1.12 1.01 0.52 -2.95 120.40 121.05 1sxj s VAL 79 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1sxj s VAL 79 Cb 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1sxj s VAL 79 CO 0.00 0.52 -0.11 -0.22 0.00 0.00 0.00 175.10 175.29 1sxj s LEU 80 N -0.63 2.73 -0.06 3.92 2.96 -0.27 -4.71 118.68 122.64 1sxj s LEU 80 Ca 0.09 -1.08 0.05 0.00 -0.22 0.00 0.00 54.13 52.97 1sxj s LEU 80 Cb -0.09 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1sxj s LEU 80 CO -0.01 -0.15 -0.20 -0.70 -1.32 0.00 0.00 176.35 173.98 1sxj s GLU 81 N 1.27 2.58 0.04 1.98 -6.30 -1.26 -0.16 118.70 116.85 1sxj s GLU 81 Ca -0.04 -0.80 0.02 0.00 -2.50 0.00 0.00 54.97 51.65 1sxj s GLU 81 Cb -0.17 -2.29 -0.02 0.00 0.00 0.00 0.00 34.13 31.64 1sxj s GLU 81 CO -0.07 0.47 -0.08 -0.51 0.02 0.00 0.00 175.26 175.09 1sxj s LEU 82 N -0.37 2.22 0.24 2.70 1.02 -0.17 -4.96 118.68 119.36 1sxj s LEU 82 Ca 0.03 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.66 1sxj s LEU 82 Cb -0.12 -0.19 -0.02 0.00 0.02 0.00 0.00 46.19 45.88 1sxj s LEU 82 CO 0.02 -0.16 0.29 0.54 0.02 0.00 0.00 176.35 177.06 1sxj s ASN 83 N -1.37 0.32 0.65 2.29 2.20 -1.26 -1.12 114.94 116.65 1sxj s ASN 83 Ca -0.08 -1.30 0.20 0.00 -0.94 0.00 0.00 52.86 50.74 1sxj s ASN 83 Cb -0.09 0.49 1.06 0.00 -2.00 0.00 0.00 41.25 40.71 1sxj s ASN 83 CO 0.00 -1.00 1.58 0.00 -2.94 0.00 0.00 177.10 174.74 1sxj h ALA 84 N 2.41 1.80 0.00 3.54 0.00 -1.78 1.11 119.26 126.34 1sxj h ALA 84 Ca -0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1sxj h ALA 84 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1sxj h ALA 84 CO 0.45 -0.72 -0.23 0.66 0.00 0.00 0.00 179.25 179.41 1sxj h SER 85 N 0.00 0.00 -3.44 0.00 4.64 -1.95 -3.45 113.55 109.35 1sxj h SER 85 Ca 0.08 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.93 1sxj h SER 85 Cb 1.35 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.50 1sxj h SER 85 CO -0.00 0.23 0.14 -1.81 -0.87 0.00 0.00 176.83 174.52 1sxj s ASP 86 N -6.20 5.28 -0.23 4.97 1.01 0.38 -5.05 116.67 116.84 1sxj s ASP 86 Ca 0.02 0.47 -0.19 0.00 0.71 0.00 0.00 52.55 53.57 1sxj s ASP 86 Cb 0.09 -1.35 -0.03 0.00 1.01 0.00 0.00 42.92 42.64 1sxj s ASP 86 CO 0.66 -1.24 0.55 -0.62 0.21 0.00 0.00 175.17 174.73 1sxj s ASP 87 N -4.39 6.54 -0.07 0.27 -1.08 -1.26 -4.84 116.67 111.84 1sxj s ASP 87 Ca 0.56 0.65 0.18 0.00 -0.52 0.00 0.00 52.55 53.42 1sxj s ASP 87 Cb -0.11 -2.30 0.36 0.00 -1.46 0.00 0.00 42.92 39.42 1sxj s ASP 87 CO 0.43 -0.25 1.16 0.54 0.52 0.00 0.00 175.17 177.57 1sxj n ARG 88 N 5.19 0.55 -0.43 4.34 1.74 -1.26 -4.85 116.66 121.94 1sxj n ARG 88 Ca -0.03 -2.29 -0.30 0.00 -0.77 0.00 0.00 57.85 54.45 1sxj n ARG 88 Cb 0.50 -0.63 0.28 0.00 -1.02 0.00 0.00 32.46 31.59 1sxj n ARG 88 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sxj s GLY 89 N -2.29 1.44 0.39 -0.13 0.00 -1.26 -4.56 107.32 100.91 1sxj s GLY 89 Ca 0.31 -0.72 0.19 0.00 0.00 0.00 0.00 44.72 44.50 1sxj s GLY 89 CO -0.11 0.25 1.74 0.16 0.00 0.00 0.00 173.10 175.14 1sxj h ILE 90 N -3.28 0.46 -0.18 0.90 3.07 -1.90 -1.24 117.51 115.33 1sxj h ILE 90 Ca -0.47 -0.13 -0.01 0.00 1.55 0.00 0.00 64.86 65.81 1sxj h ILE 90 Cb 1.34 0.06 -0.01 0.00 -0.27 0.00 0.00 36.82 37.94 1sxj h ILE 90 CO 0.32 0.07 0.08 -2.24 -1.05 0.00 0.00 178.15 175.33 1sxj h ASP 91 N 0.37 0.25 -0.11 2.16 2.03 -2.00 -2.34 116.42 116.78 1sxj h ASP 91 Ca 0.64 -0.15 -0.01 0.00 -0.73 0.00 0.00 57.03 56.78 1sxj h ASP 91 Cb 1.63 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 40.06 1sxj h ASP 91 CO -0.35 0.33 0.06 0.58 -1.03 0.00 0.00 179.24 178.83 1sxj h VAL 92 N 0.15 1.05 0.08 4.15 2.07 -1.53 -1.86 116.25 120.37 1sxj h VAL 92 Ca 0.06 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1sxj h VAL 92 Cb 0.16 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1sxj h VAL 92 CO -0.01 0.06 -0.04 0.58 0.02 0.00 0.00 177.57 178.18 1sxj h VAL 93 N 0.18 1.17 0.00 2.57 2.07 -1.11 -1.79 116.25 119.35 1sxj h VAL 93 Ca 0.05 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1sxj h VAL 93 Cb 0.03 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1sxj h VAL 93 CO -0.01 0.26 -0.15 0.03 0.02 0.00 0.00 177.57 177.72 1sxj h ARG 94 N -0.64 0.00 0.00 1.57 3.08 -1.32 0.10 114.38 117.18 1sxj h ARG 94 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sxj h ARG 94 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1sxj h ARG 94 CO 0.02 0.15 0.00 0.09 -1.07 0.00 0.00 179.97 179.16 1sxj n ASN 95 N -3.39 0.00 -0.26 7.04 3.02 -0.71 -4.29 115.26 116.67 1sxj n ASN 95 Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1sxj n ASN 95 Cb 0.35 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1sxj n ASN 95 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1sxj n GLN 96 N 0.00 -0.27 0.12 3.52 7.27 -1.02 0.57 117.38 127.56 1sxj n GLN 96 Ca 0.00 1.27 -0.13 0.00 0.07 0.00 0.00 57.00 58.22 1sxj n GLN 96 Cb 0.00 -1.88 -0.06 0.00 2.41 0.00 0.00 30.24 30.71 1sxj n GLN 96 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1sxj h ILE 97 N 0.00 0.39 -0.96 1.69 2.04 -1.44 -1.90 117.51 117.32 1sxj h ILE 97 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1sxj h ILE 97 Cb 0.25 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1sxj h ILE 97 CO -0.58 0.00 0.61 0.50 0.00 0.00 0.00 178.15 178.68 1sxj h LYS 98 N -0.50 1.03 0.33 2.37 3.64 0.18 -1.86 116.57 121.76 1sxj h LYS 98 Ca 0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1sxj h LYS 98 Cb 0.53 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1sxj h LYS 98 CO -0.16 0.68 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.05 1sxj h ASP 99 N 1.06 -0.52 -0.72 4.20 3.45 0.63 -1.99 116.42 122.53 1sxj h ASP 99 Ca 0.44 0.03 0.07 0.00 0.43 0.00 0.00 57.03 58.00 1sxj h ASP 99 Cb 0.27 0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.15 1sxj h ASP 99 CO -0.20 -0.33 0.47 0.15 -1.57 0.00 0.00 179.24 177.76 1sxj h PHE 100 N -0.52 0.73 0.00 4.55 3.57 -1.06 -1.54 116.94 122.66 1sxj h PHE 100 Ca -0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1sxj h PHE 100 Cb 0.43 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1sxj h PHE 100 CO -0.09 0.37 -0.13 0.00 -2.23 0.00 0.00 178.31 176.23 1sxj h ALA 101 N 1.62 0.96 -0.02 2.41 0.00 -0.93 -3.23 119.26 120.07 1sxj h ALA 101 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sxj h ALA 101 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sxj h ALA 101 CO -0.11 0.16 -0.02 -1.13 0.00 0.00 0.00 179.25 178.16 1sxj n SER 102 N -3.19 2.18 -4.54 0.00 3.41 -0.78 -4.67 113.62 106.02 1sxj n SER 102 Ca 0.02 -1.59 -0.34 0.00 -0.26 0.00 0.00 58.87 56.70 1sxj n SER 102 Cb 0.47 0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 1sxj n SER 102 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sxj s THR 103 N -1.27 3.83 1.18 6.66 2.01 -0.65 -5.08 115.64 122.32 1sxj s THR 103 Ca 0.17 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 1sxj s THR 103 Cb 0.12 -2.63 0.28 0.00 0.01 0.00 0.00 72.50 70.29 1sxj s THR 103 CO 0.20 0.55 1.03 -0.13 -0.69 0.00 0.00 174.62 175.57 1sxj s ARG 104 N -0.20 -1.07 0.52 4.92 0.52 -1.26 -4.90 118.95 117.48 1sxj s ARG 104 Ca 0.03 0.57 -0.11 0.00 -0.52 0.00 0.00 55.73 55.70 1sxj s ARG 104 Cb -0.13 -1.56 -0.06 0.00 0.52 0.00 0.00 34.95 33.73 1sxj s ARG 104 CO 0.02 -3.75 0.92 -0.65 0.02 0.00 0.00 175.30 171.86 1sxj s GLN 105 N -4.72 3.72 -0.08 3.54 1.11 -1.26 -5.00 119.66 116.97 1sxj s GLN 105 Ca 0.68 0.64 0.02 0.00 0.01 0.00 0.00 55.36 56.71 1sxj s GLN 105 Cb -0.21 -2.22 -0.25 0.00 -1.01 0.00 0.00 33.01 29.32 1sxj s GLN 105 CO 0.62 -0.31 0.52 -0.84 0.01 0.00 0.00 175.29 175.29 1sxj h ILE 106 N 0.42 0.74 0.00 1.08 3.07 -1.95 -3.47 117.51 117.41 1sxj h ILE 106 Ca -0.46 -2.51 0.00 0.00 1.55 0.00 0.00 64.86 63.44 1sxj h ILE 106 Cb 1.19 2.48 0.00 0.00 -0.27 0.00 0.00 36.82 40.22 1sxj h ILE 106 CO 0.62 0.72 0.00 0.33 -1.05 0.00 0.00 178.15 178.77 1sxj n PHE 107 N -3.30 0.00 -1.63 0.16 7.35 -1.26 -5.04 117.46 113.74 1sxj n PHE 107 Ca -0.25 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.12 1sxj n PHE 107 Cb 1.05 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.94 1sxj n PHE 107 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1sxj s SER 108 N -1.00 5.03 0.12 -2.13 0.15 -1.26 -5.04 113.70 109.56 1sxj s SER 108 Ca 0.00 1.90 -0.16 0.00 0.70 0.00 0.00 55.95 58.40 1sxj s SER 108 Cb 0.00 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1sxj s SER 108 CO 0.00 -1.68 0.54 -0.54 1.20 0.00 0.00 173.24 172.76 1sxj s LYS 109 N -4.39 4.03 0.00 5.44 1.02 -1.26 -4.71 119.74 119.88 1sxj s LYS 109 Ca 0.64 0.55 0.00 0.00 0.02 0.00 0.00 55.97 57.18 1sxj s LYS 109 Cb -0.19 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1sxj s LYS 109 CO 0.46 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.84 1sxj n GLY 110 N 1.13 0.28 3.92 -3.33 0.00 -1.26 -5.12 105.19 100.80 1sxj n GLY 110 Ca -0.07 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1sxj n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sxj s PHE 111 N -2.99 3.51 0.50 1.61 -0.12 -1.26 -4.85 117.98 114.38 1sxj s PHE 111 Ca 0.00 0.29 -0.04 0.00 -0.05 0.00 0.00 56.93 57.13 1sxj s PHE 111 Cb 0.00 -1.79 -0.02 0.00 -0.63 0.00 0.00 43.02 40.58 1sxj s PHE 111 CO 0.00 0.56 0.78 0.15 -0.05 0.00 0.00 175.22 176.66 1sxj s LYS 112 N -2.57 3.26 -0.09 1.99 1.02 -1.22 -4.91 119.74 117.22 1sxj s LYS 112 Ca 0.36 -0.03 -0.00 0.00 0.02 0.00 0.00 55.97 56.31 1sxj s LYS 112 Cb -0.13 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1sxj s LYS 112 CO 0.28 -0.33 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.16 1sxj s LEU 113 N -4.74 1.00 -0.20 3.17 2.96 -1.15 -0.57 118.68 119.13 1sxj s LEU 113 Ca 0.49 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 1sxj s LEU 113 Cb -0.10 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 1sxj s LEU 113 CO 0.43 -0.13 0.00 -0.63 -1.32 0.00 0.00 176.35 174.70 1sxj s ILE 114 N 1.68 3.95 -0.26 6.68 1.09 -0.32 -1.11 121.20 132.92 1sxj s ILE 114 Ca 0.03 -0.31 -0.07 0.00 -1.10 0.00 0.00 60.65 59.19 1sxj s ILE 114 Cb -0.13 -2.79 -0.02 0.00 -1.06 0.00 0.00 42.46 38.46 1sxj s ILE 114 CO -0.06 0.42 0.07 -0.63 -0.10 0.00 0.00 174.94 174.65 1sxj s ILE 115 N 1.06 4.27 -0.50 2.92 1.09 0.77 -1.59 121.20 129.23 1sxj s ILE 115 Ca 0.02 -0.24 -0.04 0.00 -1.10 0.00 0.00 60.65 59.30 1sxj s ILE 115 Cb -0.14 -3.02 0.13 0.00 -1.06 0.00 0.00 42.46 38.36 1sxj s ILE 115 CO 0.02 0.31 0.31 -0.76 -0.10 0.00 0.00 174.94 174.71 1sxj s LEU 116 N 1.60 5.33 0.46 2.97 1.02 -0.37 -1.00 118.68 128.69 1sxj s LEU 116 Ca 0.06 -2.30 -0.18 0.00 0.02 0.00 0.00 54.13 51.73 1sxj s LEU 116 Cb -0.15 -1.87 -0.09 0.00 0.02 0.00 0.00 46.19 44.10 1sxj s LEU 116 CO 0.03 -0.51 0.94 -0.62 0.02 0.00 0.00 176.35 176.21 1sxj s ASP 117 N 1.57 6.75 -1.51 2.29 -1.08 -0.27 -1.67 116.67 122.74 1sxj s ASP 117 Ca 0.11 1.56 -0.03 0.00 -0.52 0.00 0.00 52.55 53.68 1sxj s ASP 117 Cb -0.22 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1sxj s ASP 117 CO -0.04 -0.45 0.10 -1.84 0.52 0.00 0.00 175.17 173.46 1sxj n GLU 118 N -1.09 -1.14 0.25 4.34 0.28 -1.00 -3.76 120.64 118.52 1sxj n GLU 118 Ca 0.06 0.12 0.09 0.00 -0.16 0.00 0.00 57.16 57.28 1sxj n GLU 118 Cb 0.54 -3.60 0.65 0.00 1.43 0.00 0.00 31.44 30.46 1sxj n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sxj h ALA 119 N 0.86 1.67 0.00 -1.84 0.00 -0.95 -1.51 119.26 117.48 1sxj h ALA 119 Ca -0.66 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1sxj h ALA 119 Cb 1.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1sxj h ALA 119 CO 0.69 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.65 1sxj n ASP 120 N -4.17 0.00 0.00 0.00 5.75 -1.26 -0.54 116.55 116.33 1sxj n ASP 120 Ca -0.03 -0.05 0.12 0.00 -0.01 0.00 0.00 54.79 54.82 1sxj n ASP 120 Cb 0.18 -0.15 0.21 0.00 -1.03 0.00 0.00 41.12 40.32 1sxj n ASP 120 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sxj n ALA 121 N -1.15 3.63 -1.71 2.12 0.00 -0.57 -4.90 120.51 117.93 1sxj n ALA 121 Ca 0.05 -0.37 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 1sxj n ALA 121 Cb 0.05 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 1sxj n ALA 121 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sxj s MET 122 N -3.01 3.47 0.53 0.00 -1.94 0.30 -5.05 119.30 113.59 1sxj s MET 122 Ca 0.10 1.13 -0.08 0.00 -1.71 0.00 0.00 55.69 55.14 1sxj s MET 122 Cb 0.17 -2.06 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 1sxj s MET 122 CO 0.72 -0.68 0.88 0.95 -0.01 0.00 0.00 175.02 176.88 1sxj s THR 123 N -2.52 4.83 0.29 2.05 -4.23 -1.26 -4.86 115.64 109.93 1sxj s THR 123 Ca 0.62 0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 61.60 1sxj s THR 123 Cb -0.14 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.11 1sxj s THR 123 CO 0.36 -0.94 1.92 0.78 -0.54 0.00 0.00 174.62 176.20 1sxj h ASN 124 N 0.10 0.98 0.34 3.99 4.21 -1.96 0.30 115.58 123.54 1sxj h ASN 124 Ca -0.46 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.04 1sxj h ASN 124 Cb 1.20 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1sxj h ASN 124 CO 0.62 0.66 -0.22 0.00 -1.29 0.00 0.00 177.43 177.19 1sxj h ALA 125 N 1.47 -0.54 -0.33 -0.83 0.00 -1.99 0.25 119.26 117.29 1sxj h ALA 125 Ca 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1sxj h ALA 125 Cb 0.09 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1sxj h ALA 125 CO -0.13 -0.82 0.22 0.00 0.00 0.00 0.00 179.25 178.52 1sxj h ALA 126 N 0.07 0.41 -0.58 0.00 0.00 -1.78 -1.42 119.26 115.96 1sxj h ALA 126 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1sxj h ALA 126 Cb 0.46 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1sxj h ALA 126 CO 0.03 -0.12 0.25 1.96 0.00 0.00 0.00 179.25 181.36 1sxj h GLN 127 N 0.44 0.44 -0.21 0.00 4.20 -0.10 0.47 115.11 120.36 1sxj h GLN 127 Ca 0.12 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1sxj h GLN 127 Cb -0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1sxj h GLN 127 CO -0.03 0.29 0.10 -0.91 -0.67 0.00 0.00 178.83 177.62 1sxj h ASN 128 N 0.46 0.15 -0.27 1.46 2.35 0.01 -0.21 115.58 119.53 1sxj h ASN 128 Ca 0.28 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1sxj h ASN 128 Cb 0.29 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1sxj h ASN 128 CO -0.25 0.12 0.15 0.00 -1.65 0.00 0.00 177.43 175.79 1sxj h ALA 129 N 1.10 0.34 -0.42 -0.83 0.00 -0.43 -2.17 119.26 116.85 1sxj h ALA 129 Ca 0.08 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1sxj h ALA 129 Cb 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 1sxj h ALA 129 CO -0.06 -0.13 -0.32 1.25 0.00 0.00 0.00 179.25 179.99 1sxj h LEU 130 N 0.32 -1.07 -0.62 0.00 5.85 0.41 -1.22 115.31 118.99 1sxj h LEU 130 Ca 0.09 0.19 0.11 0.00 0.84 0.00 0.00 57.88 59.12 1sxj h LEU 130 Cb 0.05 0.51 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1sxj h LEU 130 CO -0.02 -0.31 0.18 -0.09 -0.34 0.00 0.00 178.44 177.87 1sxj h ARG 131 N -0.23 0.32 -0.09 1.25 2.43 -0.77 -0.09 114.38 117.20 1sxj h ARG 131 Ca 0.18 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1sxj h ARG 131 Cb 0.53 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1sxj h ARG 131 CO -0.55 0.21 -0.09 0.00 -1.51 0.00 0.00 179.97 178.03 1sxj h ARG 132 N 0.33 0.14 -0.03 0.20 2.47 -0.61 -0.16 114.38 116.72 1sxj h ARG 132 Ca 0.33 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.00 1sxj h ARG 132 Cb 0.46 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1sxj h ARG 132 CO -0.37 0.24 -0.06 0.28 0.56 0.00 0.00 179.97 180.61 1sxj h VAL 133 N 0.14 1.44 -0.38 2.04 2.07 -0.30 -2.58 116.25 118.68 1sxj h VAL 133 Ca 0.03 -1.40 0.07 0.00 0.82 0.00 0.00 66.70 66.22 1sxj h VAL 133 Cb 0.24 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1sxj h VAL 133 CO 0.01 0.38 0.26 0.40 0.02 0.00 0.00 177.57 178.64 1sxj h ILE 134 N -0.44 0.91 -0.11 4.57 2.04 -0.59 -1.94 117.51 121.94 1sxj h ILE 134 Ca 0.00 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1sxj h ILE 134 Cb 0.64 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1sxj h ILE 134 CO 0.01 0.03 -0.08 -0.33 0.00 0.00 0.00 178.15 177.79 1sxj h GLU 135 N 0.19 0.25 0.00 2.37 5.08 -0.94 -2.75 114.58 118.77 1sxj h GLU 135 Ca 0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1sxj h GLU 135 Cb 0.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1sxj h GLU 135 CO -0.03 0.63 0.00 -0.09 -1.00 0.00 0.00 179.01 178.52 1sxj h ARG 136 N -0.13 0.00 0.00 2.33 2.43 -0.97 -3.29 114.38 114.75 1sxj h ARG 136 Ca 0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1sxj h ARG 136 Cb 0.57 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.99 1sxj h ARG 136 CO 0.02 0.00 -0.66 0.66 -1.51 0.00 0.00 179.97 178.49 1sxj n TYR 137 N -2.86 0.00 0.22 2.20 4.02 -0.80 -4.75 117.16 115.19 1sxj n TYR 137 Ca 0.02 -1.12 0.09 0.00 -0.01 0.00 0.00 57.90 56.87 1sxj n TYR 137 Cb 0.35 -0.21 0.45 0.00 -0.02 0.00 0.00 39.34 39.91 1sxj n TYR 137 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sxj h THR 138 N 3.03 0.65 -0.09 -0.72 1.03 -1.55 -2.26 112.91 112.99 1sxj h THR 138 Ca -0.07 -1.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.15 1sxj h THR 138 Cb 1.30 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 70.15 1sxj h THR 138 CO 0.03 0.25 0.00 0.29 -0.01 0.00 0.00 175.52 176.08 1sxj n LYS 139 N -3.46 1.57 0.00 0.00 5.02 -1.26 -4.05 118.16 115.98 1sxj n LYS 139 Ca -0.00 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 1sxj n LYS 139 Cb 0.43 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1sxj n LYS 139 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sxj n ASN 140 N 0.06 0.00 -4.02 4.39 3.02 -1.15 -5.14 115.26 112.42 1sxj n ASN 140 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.47 1sxj n ASN 140 Cb 0.36 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.41 1sxj n ASN 140 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1sxj s THR 141 N 0.00 0.40 -0.11 3.41 -1.32 -0.86 -3.45 115.64 113.71 1sxj s THR 141 Ca 0.00 -0.90 -0.00 0.00 -1.21 0.00 0.00 61.69 59.57 1sxj s THR 141 Cb 0.00 -0.47 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1sxj s THR 141 CO 0.00 -0.34 -0.09 -0.13 -2.21 0.00 0.00 174.62 171.85 1sxj s ARG 142 N -1.32 3.20 0.01 7.08 3.00 0.26 -4.54 118.95 126.63 1sxj s ARG 142 Ca -0.10 -0.60 0.03 0.00 0.00 0.00 0.00 55.73 55.06 1sxj s ARG 142 Cb -0.09 -2.67 -0.03 0.00 0.00 0.00 0.00 34.95 32.16 1sxj s ARG 142 CO -0.00 0.39 -0.07 -0.06 0.00 0.00 0.00 175.30 175.56 1sxj s PHE 143 N -0.08 2.87 -0.12 -0.53 0.40 -1.26 -1.18 117.98 118.08 1sxj s PHE 143 Ca -0.00 -0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1sxj s PHE 143 Cb -0.13 -1.60 0.03 0.00 0.51 0.00 0.00 43.02 41.83 1sxj s PHE 143 CO 0.03 0.37 -0.03 0.00 0.70 0.00 0.00 175.22 176.29 1sxj s VAL 145 N 1.79 4.64 -0.00 0.00 1.01 0.35 -1.24 120.40 126.94 1sxj s VAL 145 Ca 0.03 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1sxj s VAL 145 Cb -0.14 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1sxj s VAL 145 CO -0.07 0.60 -0.19 -0.76 0.00 0.00 0.00 175.10 174.68 1sxj s LEU 146 N -0.84 2.06 0.12 3.92 1.02 -0.67 -0.70 118.68 123.58 1sxj s LEU 146 Ca 0.13 -0.38 -0.25 0.00 0.02 0.00 0.00 54.13 53.65 1sxj s LEU 146 Cb -0.12 -0.97 0.08 0.00 0.02 0.00 0.00 46.19 45.20 1sxj s LEU 146 CO 0.03 0.22 0.72 0.00 0.02 0.00 0.00 176.35 177.33 1sxj s ALA 147 N -0.52 -1.65 -0.08 4.21 0.00 -0.41 -0.61 121.76 122.71 1sxj s ALA 147 Ca 0.07 0.58 0.14 0.00 0.00 0.00 0.00 51.96 52.76 1sxj s ALA 147 Cb -0.08 0.73 -0.18 0.00 0.00 0.00 0.00 23.12 23.59 1sxj s ALA 147 CO -0.00 -0.78 0.78 -0.91 0.00 0.00 0.00 175.76 174.85 1sxj h ASN 148 N 2.00 0.00 -3.26 0.00 4.21 -1.87 -1.47 115.58 115.20 1sxj h ASN 148 Ca -0.29 0.00 -0.43 0.00 1.21 0.00 0.00 56.30 56.79 1sxj h ASN 148 Cb 1.28 0.00 -0.38 0.00 -1.12 0.00 0.00 38.32 38.10 1sxj h ASN 148 CO 0.34 0.79 -0.76 -0.31 -1.29 0.00 0.00 177.43 176.20 1sxj s TYR 149 N -2.76 0.61 0.22 1.19 1.51 -1.26 -4.09 117.35 112.77 1sxj s TYR 149 Ca -0.03 -0.15 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1sxj s TYR 149 Cb 0.08 -0.77 0.20 0.00 -0.11 0.00 0.00 41.96 41.36 1sxj s TYR 149 CO 0.82 -0.33 1.65 0.00 -1.11 0.00 0.00 175.55 176.58 1sxj h ALA 150 N 8.34 0.91 0.00 3.71 0.00 -1.96 -2.86 119.26 127.39 1sxj h ALA 150 Ca -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1sxj h ALA 150 Cb 1.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1sxj h ALA 150 CO 0.25 0.62 0.12 1.12 0.00 0.00 0.00 179.25 181.36 1sxj h HIS 151 N 0.72 0.00 -0.30 0.00 2.07 -2.01 0.52 115.15 116.15 1sxj h HIS 151 Ca 0.11 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 1sxj h HIS 151 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 1sxj h HIS 151 CO 0.04 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.53 1sxj n LYS 152 N -2.66 1.83 -4.43 5.12 5.02 -1.08 -4.84 118.16 117.12 1sxj n LYS 152 Ca -0.02 -1.28 -0.35 0.00 -2.02 0.00 0.00 58.31 54.65 1sxj n LYS 152 Cb 0.16 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 1sxj n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sxj s LEU 153 N -1.21 3.45 0.23 -0.35 1.43 0.18 -4.81 118.68 117.60 1sxj s LEU 153 Ca 0.28 0.08 -0.32 0.00 -1.03 0.00 0.00 54.13 53.14 1sxj s LEU 153 Cb 0.15 -1.79 -0.12 0.00 0.03 0.00 0.00 46.19 44.46 1sxj s LEU 153 CO 0.20 0.35 1.70 0.41 0.23 0.00 0.00 176.35 179.24 1sxj n THR 154 N 2.32 0.23 -0.26 5.49 -1.04 -1.26 -4.80 114.28 114.96 1sxj n THR 154 Ca -0.18 -0.06 0.22 0.00 -2.04 0.00 0.00 64.05 61.99 1sxj n THR 154 Cb 0.53 -1.98 0.55 0.00 -1.82 0.00 0.00 70.33 67.61 1sxj n THR 154 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1sxj h PRO 155 N 6.33 0.33 0.00 -2.82 0.11 -1.95 0.42 132.00 134.42 1sxj h PRO 155 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1sxj h PRO 155 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1sxj h PRO 155 CO 0.92 0.22 -0.26 0.00 -0.21 0.00 0.00 178.00 178.67 1sxj h ALA 156 N 1.60 1.32 0.00 -0.75 0.00 -1.98 0.00 119.26 119.45 1sxj h ALA 156 Ca 0.50 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1sxj h ALA 156 Cb 1.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1sxj h ALA 156 CO -0.18 0.33 -0.21 1.25 0.00 0.00 0.00 179.25 180.44 1sxj h LEU 157 N 0.00 0.00 -0.47 0.00 5.85 -0.55 -3.35 115.31 116.78 1sxj h LEU 157 Ca -0.00 -0.86 0.06 0.00 0.84 0.00 0.00 57.88 57.92 1sxj h LEU 157 Cb 0.55 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1sxj h LEU 157 CO 0.03 1.05 0.17 -0.07 -0.34 0.00 0.00 178.44 179.29 1sxj h LEU 158 N -1.00 0.17 0.00 2.25 3.38 -1.12 -1.13 115.31 117.86 1sxj h LEU 158 Ca -0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sxj h LEU 158 Cb 1.00 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1sxj h LEU 158 CO -0.03 0.13 0.00 -0.24 0.09 0.00 0.00 178.44 178.38 1sxj n SER 159 N -5.01 0.00 -0.18 -0.43 2.88 -0.02 -1.82 113.62 109.04 1sxj n SER 159 Ca 0.04 0.37 0.12 0.00 -1.33 0.00 0.00 58.87 58.08 1sxj n SER 159 Cb 0.19 -0.38 0.19 0.00 -0.75 0.00 0.00 64.21 63.46 1sxj n SER 159 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1sxj n GLN 160 N -1.38 0.52 -4.06 -1.46 -0.06 -0.43 -4.99 117.38 105.53 1sxj n GLN 160 Ca 0.00 -0.36 -0.08 0.00 -2.00 0.00 0.00 57.00 54.56 1sxj n GLN 160 Cb 0.00 -1.49 -0.10 0.00 -4.06 0.00 0.00 30.24 24.59 1sxj n GLN 160 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sxj s THR 162 N -3.94 4.67 -0.05 0.00 2.01 0.22 -4.84 115.64 113.70 1sxj s THR 162 Ca 0.10 1.87 -0.08 0.00 0.31 0.00 0.00 61.69 63.90 1sxj s THR 162 Cb 0.07 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1sxj s THR 162 CO -0.08 0.31 0.23 -0.13 -0.69 0.00 0.00 174.62 174.26 1sxj s ARG 163 N 0.17 3.56 -0.31 4.92 0.52 -1.26 -1.91 118.95 124.64 1sxj s ARG 163 Ca 0.44 -0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.61 1sxj s ARG 163 Cb -0.22 -3.16 0.10 0.00 0.52 0.00 0.00 34.95 32.20 1sxj s ARG 163 CO 0.26 0.72 0.11 -0.06 0.02 0.00 0.00 175.30 176.35 1sxj s PHE 164 N -1.14 1.43 -0.07 -0.53 0.40 -0.08 -4.96 117.98 113.03 1sxj s PHE 164 Ca 0.21 -1.59 -0.30 0.00 -0.60 0.00 0.00 56.93 54.65 1sxj s PHE 164 Cb -0.13 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1sxj s PHE 164 CO 0.10 -0.87 1.18 0.50 0.70 0.00 0.00 175.22 176.83 1sxj s ARG 165 N 1.67 4.35 -0.52 0.44 3.52 -1.26 -2.78 118.95 124.37 1sxj s ARG 165 Ca 0.10 1.63 -0.21 0.00 -0.13 0.00 0.00 55.73 57.12 1sxj s ARG 165 Cb -0.17 -3.57 0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1sxj s ARG 165 CO -0.26 -0.45 0.75 -0.06 -0.81 0.00 0.00 175.30 174.47 1sxj s PHE 166 N 2.30 2.95 0.57 5.12 0.40 0.18 -4.94 117.98 124.55 1sxj s PHE 166 Ca 0.55 -0.29 -0.08 0.00 -0.60 0.00 0.00 56.93 56.51 1sxj s PHE 166 Cb -0.23 -3.74 -0.03 0.00 0.51 0.00 0.00 43.02 39.53 1sxj s PHE 166 CO 0.21 -1.15 0.92 1.14 0.70 0.00 0.00 175.22 177.04 1sxj s GLN 167 N 3.18 3.42 0.29 0.44 0.00 -1.26 -4.12 119.66 121.61 1sxj s GLN 167 Ca 0.22 0.41 -0.29 0.00 -0.00 0.00 0.00 55.36 55.70 1sxj s GLN 167 Cb -0.16 -2.22 -0.14 0.00 0.00 0.00 0.00 33.01 30.49 1sxj s GLN 167 CO 0.15 -0.48 1.15 -2.30 0.00 0.00 0.00 175.29 173.81 1sxj n PRO 168 N -2.56 1.63 -1.68 9.60 -0.02 -1.26 -4.83 135.00 135.88 1sxj n PRO 168 Ca 0.04 0.57 -0.44 0.00 -2.02 0.00 0.00 63.50 61.64 1sxj n PRO 168 Cb 0.55 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1sxj n PRO 168 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sxj n LEU 169 N 1.30 3.77 -4.77 2.45 7.99 -0.41 -4.94 117.00 122.40 1sxj n LEU 169 Ca 0.09 0.98 -0.33 0.00 -0.01 0.00 0.00 56.01 56.74 1sxj n LEU 169 Cb 0.32 -1.48 0.04 0.00 -0.11 0.00 0.00 43.42 42.20 1sxj n LEU 169 CO 0.61 0.05 0.74 -2.84 -1.51 0.00 0.00 177.39 174.44 1sxj s PRO 170 N 3.16 2.89 0.17 3.23 0.02 -1.26 -4.42 135.00 138.78 1sxj s PRO 170 Ca 0.86 1.39 -0.26 0.00 0.02 0.00 0.00 61.00 63.00 1sxj s PRO 170 Cb -0.56 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.00 1sxj s PRO 170 CO 0.42 -1.18 1.46 1.04 -0.33 0.00 0.00 177.00 178.42 1sxj n GLN 171 N -2.30 -0.37 0.00 5.54 6.02 -1.26 -1.75 117.38 123.26 1sxj n GLN 171 Ca 0.10 1.44 0.00 0.00 -0.01 0.00 0.00 57.00 58.53 1sxj n GLN 171 Cb 0.52 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.66 1sxj n GLN 171 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1sxj n GLU 172 N -5.24 0.00 -0.16 -1.09 0.28 -1.26 0.29 120.64 113.47 1sxj n GLU 172 Ca 0.04 0.74 -0.09 0.00 -0.16 0.00 0.00 57.16 57.69 1sxj n GLU 172 Cb 0.28 -1.16 -0.04 0.00 1.43 0.00 0.00 31.44 31.95 1sxj n GLU 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sxj h ALA 173 N -1.03 -0.37 -0.62 -1.84 0.00 -1.71 -0.61 119.26 113.09 1sxj h ALA 173 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sxj h ALA 173 Cb 0.00 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1sxj h ALA 173 CO 0.00 -0.84 0.39 0.97 0.00 0.00 0.00 179.25 179.77 1sxj h ILE 174 N -0.28 1.17 -0.67 0.00 6.09 -0.75 -1.09 117.51 121.99 1sxj h ILE 174 Ca 0.16 -0.35 -0.06 0.00 -1.37 0.00 0.00 64.86 63.24 1sxj h ILE 174 Cb 0.57 0.28 -0.03 0.00 0.47 0.00 0.00 36.82 38.11 1sxj h ILE 174 CO -0.62 0.17 0.19 -0.33 -3.07 0.00 0.00 178.15 174.49 1sxj h GLU 175 N 0.85 1.04 0.34 2.19 5.08 0.11 -1.68 114.58 122.50 1sxj h GLU 175 Ca 0.23 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1sxj h GLU 175 Cb -0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1sxj h GLU 175 CO -0.04 0.90 -0.16 0.00 -1.00 0.00 0.00 179.01 178.70 1sxj h ARG 176 N 0.99 -0.44 -0.85 2.33 2.47 0.04 -2.41 114.38 116.52 1sxj h ARG 176 Ca 0.22 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 59.01 1sxj h ARG 176 Cb 0.31 0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 1sxj h ARG 176 CO -0.00 -0.20 0.56 -0.09 0.56 0.00 0.00 179.97 180.79 1sxj h ARG 177 N -0.60 0.99 -0.86 0.04 9.65 -1.19 -0.08 114.38 122.33 1sxj h ARG 177 Ca -0.05 -0.06 0.09 0.00 -1.10 0.00 0.00 59.98 58.87 1sxj h ARG 177 Cb 0.44 -0.22 -0.07 0.00 -1.39 0.00 0.00 29.97 28.72 1sxj h ARG 177 CO 0.08 0.65 0.51 0.82 2.80 0.00 0.00 179.97 184.83 1sxj h ILE 178 N 1.02 0.93 -0.64 1.20 5.03 -1.15 -1.06 117.51 122.84 1sxj h ILE 178 Ca 0.35 -0.30 0.01 0.00 -0.12 0.00 0.00 64.86 64.80 1sxj h ILE 178 Cb 0.09 -0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.84 1sxj h ILE 178 CO -0.11 0.16 0.42 0.00 -0.68 0.00 0.00 178.15 177.94 1sxj h ALA 179 N 1.46 0.82 0.02 1.87 0.00 -0.51 -1.82 119.26 121.10 1sxj h ALA 179 Ca 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1sxj h ALA 179 Cb 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sxj h ALA 179 CO -0.24 0.23 -0.01 -0.91 0.00 0.00 0.00 179.25 178.32 1sxj h ASN 180 N 0.86 -0.02 -0.05 0.00 4.21 -0.78 -2.88 115.58 116.91 1sxj h ASN 180 Ca 0.24 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.65 1sxj h ASN 180 Cb -0.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 1sxj h ASN 180 CO -0.06 0.04 -0.08 1.62 -1.29 0.00 0.00 177.43 177.66 1sxj h VAL 181 N -0.07 1.17 0.00 2.81 3.04 -1.19 -2.34 116.25 119.67 1sxj h VAL 181 Ca -0.00 -0.72 -0.03 0.00 -1.01 0.00 0.00 66.70 64.94 1sxj h VAL 181 Cb 0.07 1.12 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1sxj h VAL 181 CO 0.00 0.23 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.59 1sxj h LEU 182 N 0.29 0.00 0.00 3.16 3.38 -1.12 -3.06 115.31 117.95 1sxj h LEU 182 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sxj h LEU 182 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1sxj h LEU 182 CO 0.02 0.13 -0.09 0.58 0.09 0.00 0.00 178.44 179.17 1sxj h VAL 183 N 0.00 0.00 0.00 1.22 2.07 -1.28 -3.26 116.25 114.99 1sxj h VAL 183 Ca -0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1sxj h VAL 183 Cb 0.54 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1sxj h VAL 183 CO 0.02 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.02 1sxj n HIS 184 N -4.46 0.00 -3.57 1.57 8.25 -1.14 -4.36 115.22 111.52 1sxj n HIS 184 Ca -0.01 -0.06 -0.04 0.00 -0.26 0.00 0.00 57.72 57.34 1sxj n HIS 184 Cb 0.05 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 1sxj n HIS 184 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1sxj s GLU 185 N -0.70 0.45 -0.96 -0.41 2.56 -1.16 -5.06 118.70 113.43 1sxj s GLU 185 Ca 0.00 1.15 -0.24 0.00 0.00 0.00 0.00 54.97 55.88 1sxj s GLU 185 Cb 0.00 0.49 -0.21 0.00 2.00 0.00 0.00 34.13 36.42 1sxj s GLU 185 CO 0.00 -0.31 2.09 1.63 -0.56 0.00 0.00 175.26 178.11 1sxj n LYS 186 N 5.42 0.16 -3.81 4.30 5.02 -1.26 -4.56 118.16 123.43 1sxj n LYS 186 Ca -0.09 -1.41 -0.12 0.00 -2.02 0.00 0.00 58.31 54.67 1sxj n LYS 186 Cb 0.49 -3.64 -0.12 0.00 -0.02 0.00 0.00 35.03 31.74 1sxj n LYS 186 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sxj s LEU 187 N 15.50 1.25 0.02 -0.35 2.96 -1.23 -4.80 118.68 132.02 1sxj s LEU 187 Ca 0.79 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 55.10 1sxj s LEU 187 Cb -0.07 0.71 -0.02 0.00 0.50 0.00 0.00 46.19 47.31 1sxj s LEU 187 CO 0.16 -0.12 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.33 1sxj s LYS 188 N -0.11 1.52 -0.15 1.98 1.02 -1.26 -4.76 119.74 118.00 1sxj s LYS 188 Ca -0.02 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 1sxj s LYS 188 Cb -0.02 -1.57 0.04 0.00 -0.52 0.00 0.00 37.83 35.76 1sxj s LYS 188 CO 0.01 0.41 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.65 1sxj s LEU 189 N -0.88 1.29 0.93 3.17 2.96 -1.26 -2.71 118.68 122.18 1sxj s LEU 189 Ca 0.08 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.32 1sxj s LEU 189 Cb -0.08 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.86 1sxj s LEU 189 CO 0.01 -0.20 0.31 -1.54 -1.32 0.00 0.00 176.35 173.61 1sxj n SER 190 N 4.96 -2.34 0.00 3.68 3.41 -0.61 -4.74 113.62 117.99 1sxj n SER 190 Ca -0.11 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1sxj n SER 190 Cb 0.48 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1sxj n SER 190 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1sxj n PRO 191 N -1.23 0.00 0.00 4.33 -0.02 -1.26 -2.28 135.00 134.53 1sxj n PRO 191 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1sxj n PRO 191 Cb 0.53 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 1sxj n PRO 191 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1sxj n ASN 192 N -0.95 0.12 0.00 2.55 2.04 -1.26 -2.43 115.26 115.34 1sxj n ASN 192 Ca 0.00 -1.42 -0.16 0.00 -0.44 0.00 0.00 54.58 52.56 1sxj n ASN 192 Cb 0.00 -0.06 -0.14 0.00 -2.53 0.00 0.00 39.78 37.05 1sxj n ASN 192 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1sxj h ALA 193 N 2.30 0.56 -0.55 -2.53 0.00 -1.77 -2.83 119.26 114.43 1sxj h ALA 193 Ca 0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 54.91 53.42 1sxj h ALA 193 Cb 0.06 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1sxj h ALA 193 CO 0.00 1.41 -0.04 1.49 0.00 0.00 0.00 179.25 182.11 1sxj h GLU 194 N 0.04 0.97 -0.76 0.00 4.81 -1.27 -1.69 114.58 116.69 1sxj h GLU 194 Ca -0.35 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.56 1sxj h GLU 194 Cb 2.03 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.28 1sxj h GLU 194 CO 0.09 0.98 0.45 -0.22 -0.73 0.00 0.00 179.01 179.58 1sxj h LYS 195 N 0.88 1.04 -0.05 1.92 3.64 -1.64 -1.75 116.57 120.62 1sxj h LYS 195 Ca 0.15 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1sxj h LYS 195 Cb 0.57 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1sxj h LYS 195 CO 0.03 0.75 0.02 0.00 -2.27 0.00 0.00 179.45 177.98 1sxj h ALA 196 N 1.24 0.06 -0.82 5.00 0.00 -1.20 -1.30 119.26 122.24 1sxj h ALA 196 Ca 0.27 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.26 1sxj h ALA 196 Cb -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 1sxj h ALA 196 CO -0.05 -0.36 0.38 1.25 0.00 0.00 0.00 179.25 180.47 1sxj h LEU 197 N -0.08 0.40 0.28 0.00 6.46 -1.05 -1.57 115.31 119.75 1sxj h LEU 197 Ca 0.02 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1sxj h LEU 197 Cb 0.16 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1sxj h LEU 197 CO -0.00 0.14 -0.13 0.40 -0.62 0.00 0.00 178.44 178.22 1sxj h ILE 198 N 0.52 0.00 -0.10 4.05 1.08 -0.91 -2.39 117.51 119.76 1sxj h ILE 198 Ca 0.46 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.94 1sxj h ILE 198 Cb 0.72 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1sxj h ILE 198 CO -0.41 0.00 0.67 -0.08 -0.69 0.00 0.00 178.15 177.65 1sxj h GLU 199 N -0.40 0.00 -0.01 2.37 4.81 -0.93 0.24 114.58 120.66 1sxj h GLU 199 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1sxj h GLU 199 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1sxj h GLU 199 CO 0.06 0.00 -0.58 1.28 -0.73 0.00 0.00 179.01 179.04 1sxj n LEU 200 N -2.81 1.61 -0.22 1.64 4.77 -0.62 -4.30 117.00 117.07 1sxj n LEU 200 Ca 0.01 -0.68 0.12 0.00 -0.03 0.00 0.00 56.01 55.43 1sxj n LEU 200 Cb 0.73 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.97 1sxj n LEU 200 CO 0.09 0.32 0.38 -1.54 -1.33 0.00 0.00 177.39 175.32 1sxj n SER 201 N -0.48 1.21 -4.24 -1.43 3.41 0.85 -4.96 113.62 107.97 1sxj n SER 201 Ca 0.07 -0.97 -0.35 0.00 -0.26 0.00 0.00 58.87 57.36 1sxj n SER 201 Cb 0.39 0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 64.72 1sxj n SER 201 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sxj n ASN 202 N -0.80 -2.34 0.00 4.04 3.02 -1.22 -0.06 115.26 117.90 1sxj n ASN 202 Ca 0.08 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1sxj n ASN 202 Cb 0.38 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.00 1sxj n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxj n GLY 203 N -1.53 0.41 3.36 7.41 0.00 -1.26 -4.85 105.19 108.73 1sxj n GLY 203 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1sxj n GLY 203 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxj s ASP 204 N -2.16 6.39 0.55 1.61 2.15 0.91 -1.28 116.67 124.83 1sxj s ASP 204 Ca 0.00 -1.92 0.37 0.00 0.43 0.00 0.00 52.55 51.43 1sxj s ASP 204 Cb 0.00 -2.27 1.54 0.00 -0.30 0.00 0.00 42.92 41.89 1sxj s ASP 204 CO 0.00 -0.91 1.77 -0.03 -0.17 0.00 0.00 175.17 175.84 1sxj h MET 205 N 8.71 0.00 -0.42 4.34 1.85 -1.69 -0.13 114.93 127.58 1sxj h MET 205 Ca -0.14 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.93 1sxj h MET 205 Cb 1.07 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.08 1sxj h MET 205 CO 1.00 0.00 0.20 -0.09 -0.40 0.00 0.00 176.91 177.62 1sxj h ARG 206 N 0.00 0.61 0.00 0.39 2.43 -1.88 -2.77 114.38 113.16 1sxj h ARG 206 Ca 0.57 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.62 1sxj h ARG 206 Cb 2.34 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 31.77 1sxj h ARG 206 CO -0.01 0.53 -0.13 -0.09 -1.51 0.00 0.00 179.97 178.76 1sxj h ARG 207 N 0.55 0.00 0.27 0.20 2.43 -1.34 -2.67 114.38 113.81 1sxj h ARG 207 Ca 0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1sxj h ARG 207 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1sxj h ARG 207 CO -0.02 0.13 -0.13 0.28 -1.51 0.00 0.00 179.97 178.73 1sxj h VAL 208 N 0.00 0.62 -0.02 0.20 2.07 -1.50 -2.64 116.25 114.98 1sxj h VAL 208 Ca -0.00 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1sxj h VAL 208 Cb 0.57 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1sxj h VAL 208 CO 0.02 0.14 0.03 -0.07 0.02 0.00 0.00 177.57 177.71 1sxj h LEU 209 N -0.89 0.00 0.12 2.57 3.38 -1.48 -1.31 115.31 117.69 1sxj h LEU 209 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sxj h LEU 209 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1sxj h LEU 209 CO 0.06 0.00 -0.06 0.78 0.09 0.00 0.00 178.44 179.32 1sxj h ASN 210 N 0.00 -0.13 -0.66 -0.43 2.35 -1.42 -3.21 115.58 112.07 1sxj h ASN 210 Ca 0.01 -0.43 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 1sxj h ASN 210 Cb 0.08 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1sxj h ASN 210 CO -0.00 0.47 0.15 -0.37 -1.65 0.00 0.00 177.43 176.03 1sxj h VAL 211 N -0.85 1.26 -0.04 2.81 -1.51 -1.20 -2.64 116.25 114.08 1sxj h VAL 211 Ca -0.02 -0.96 0.01 0.00 -1.23 0.00 0.00 66.70 64.50 1sxj h VAL 211 Cb 0.56 0.61 -0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1sxj h VAL 211 CO 0.03 0.36 0.26 -0.07 -1.23 0.00 0.00 177.57 176.92 1sxj h LEU 212 N 0.99 0.00 -0.79 4.19 3.38 -1.34 0.64 115.31 122.38 1sxj h LEU 212 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1sxj h LEU 212 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1sxj h LEU 212 CO 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 178.44 178.09 1sxj n GLN 213 N -3.04 1.51 -0.28 1.13 10.64 -1.02 -3.25 117.38 123.07 1sxj n GLN 213 Ca -0.01 -0.75 0.05 0.00 -1.83 0.00 0.00 57.00 54.45 1sxj n GLN 213 Cb 0.32 -1.33 0.17 0.00 -0.86 0.00 0.00 30.24 28.54 1sxj n GLN 213 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1sxj n SER 214 N -0.27 2.44 0.00 2.61 7.64 0.22 -3.44 113.62 122.82 1sxj n SER 214 Ca 0.07 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1sxj n SER 214 Cb 0.36 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1sxj n SER 214 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxj n LYS 216 N -1.69 0.49 -0.54 0.00 3.00 -1.20 -0.96 118.16 117.26 1sxj n LYS 216 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1sxj n LYS 216 Cb 0.24 -1.02 -0.00 0.00 0.00 0.00 0.00 35.03 34.25 1sxj n LYS 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sxj n ALA 217 N -0.52 2.05 0.03 3.14 0.00 -1.24 -4.82 120.51 119.15 1sxj n ALA 217 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1sxj n ALA 217 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1sxj n ALA 217 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sxj n THR 218 N 0.02 0.33 0.13 0.00 -1.04 -0.13 -4.88 114.28 108.71 1sxj n THR 218 Ca -0.00 0.11 0.01 0.00 -2.04 0.00 0.00 64.05 62.13 1sxj n THR 218 Cb 0.65 -0.94 0.04 0.00 -1.82 0.00 0.00 70.33 68.26 1sxj n THR 218 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1sxj h LEU 219 N 0.00 0.00 -8.74 -4.42 3.38 -1.83 -3.46 115.31 100.24 1sxj h LEU 219 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1sxj h LEU 219 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1sxj h LEU 219 CO 0.00 0.56 1.26 0.47 0.09 0.00 0.00 178.44 180.83 1sxj n ASP 220 N -3.28 2.29 0.12 -0.43 8.00 -1.25 -4.70 116.55 117.29 1sxj n ASP 220 Ca 0.01 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1sxj n ASP 220 Cb 0.74 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1sxj n ASP 220 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sxj n ASN 221 N 8.40 -0.01 -0.51 -2.24 3.02 -1.26 -4.80 115.26 117.86 1sxj n ASN 221 Ca 0.36 0.40 0.07 0.00 -0.03 0.00 0.00 54.58 55.38 1sxj n ASN 221 Cb 0.20 0.28 0.24 0.00 -0.61 0.00 0.00 39.78 39.90 1sxj n ASN 221 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1sxj n PRO 222 N -3.37 1.65 -1.04 3.52 -0.02 -1.26 -4.87 135.00 129.61 1sxj n PRO 222 Ca 0.00 -0.99 -0.01 0.00 -2.02 0.00 0.00 63.50 60.47 1sxj n PRO 222 Cb 0.01 -1.29 -0.01 0.00 -0.02 0.00 0.00 33.50 32.20 1sxj n PRO 222 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sxj n ASP 223 N 0.26 -5.85 -1.68 2.55 8.00 -1.26 -4.71 116.55 113.86 1sxj n ASP 223 Ca 0.12 0.03 0.01 0.00 0.71 0.00 0.00 54.79 55.67 1sxj n ASP 223 Cb 0.26 -3.47 0.01 0.00 -0.02 0.00 0.00 41.12 37.90 1sxj n ASP 223 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sxj n GLU 224 N 0.62 0.35 -1.31 -1.24 1.02 -1.26 -4.78 120.64 114.04 1sxj n GLU 224 Ca -0.01 -2.01 -0.30 0.00 -0.02 0.00 0.00 57.16 54.82 1sxj n GLU 224 Cb 0.49 -0.14 0.24 0.00 -0.02 0.00 0.00 31.44 32.01 1sxj n GLU 224 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sxj s ASP 225 N -2.05 1.21 -0.13 1.62 1.01 -1.26 -4.98 116.67 112.09 1sxj s ASP 225 Ca 0.25 0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.95 1sxj s ASP 225 Cb 0.31 -0.52 0.01 0.00 1.01 0.00 0.00 42.92 43.73 1sxj s ASP 225 CO -0.11 -3.93 -0.19 -0.70 0.21 0.00 0.00 175.17 170.45 1sxj s GLU 226 N -5.62 2.65 -0.02 8.23 2.56 -1.26 -4.28 118.70 120.96 1sxj s GLU 226 Ca 0.73 -0.72 -0.30 0.00 0.00 0.00 0.00 54.97 54.69 1sxj s GLU 226 Cb -0.06 -2.21 -0.03 0.00 2.00 0.00 0.00 34.13 33.83 1sxj s GLU 226 CO 0.55 -0.07 0.97 0.42 -0.56 0.00 0.00 175.26 176.58 1sxj s ILE 227 N 0.97 4.87 0.45 -3.70 1.01 -1.10 -4.91 121.20 118.79 1sxj s ILE 227 Ca -0.05 2.03 0.07 0.00 0.00 0.00 0.00 60.65 62.70 1sxj s ILE 227 Cb -0.15 -4.31 0.07 0.00 0.01 0.00 0.00 42.46 38.08 1sxj s ILE 227 CO -0.03 0.14 0.54 -1.54 0.00 0.00 0.00 174.94 174.05 1sxj n SER 228 N 4.04 1.86 -0.19 3.58 3.41 -1.26 -1.57 113.62 123.50 1sxj n SER 228 Ca 0.06 -2.29 -0.08 0.00 -0.26 0.00 0.00 58.87 56.30 1sxj n SER 228 Cb 0.51 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 1sxj n SER 228 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sxj h ASP 229 N 0.20 0.78 0.48 4.04 3.32 -1.90 -3.18 116.42 120.16 1sxj h ASP 229 Ca -0.23 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1sxj h ASP 229 Cb 0.98 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1sxj h ASP 229 CO 0.34 0.78 -0.41 0.44 -1.72 0.00 0.00 179.24 178.67 1sxj h ASP 230 N 0.73 -1.09 -1.53 6.45 3.32 -1.97 -0.67 116.42 121.66 1sxj h ASP 230 Ca 0.17 0.08 0.50 0.00 0.02 0.00 0.00 57.03 57.80 1sxj h ASP 230 Cb 0.28 0.35 -0.12 0.00 0.22 0.00 0.00 39.33 40.06 1sxj h ASP 230 CO -0.00 -0.57 1.02 0.58 -1.72 0.00 0.00 179.24 178.55 1sxj h VAL 231 N -0.87 0.03 0.00 -1.35 2.07 -1.95 0.91 116.25 115.10 1sxj h VAL 231 Ca -0.06 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1sxj h VAL 231 Cb 0.73 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1sxj h VAL 231 CO -0.01 0.00 -0.32 0.40 0.02 0.00 0.00 177.57 177.66 1sxj h ILE 232 N 0.02 1.03 -0.87 4.57 2.04 -1.43 -2.57 117.51 120.30 1sxj h ILE 232 Ca 0.88 -1.88 0.13 0.00 1.00 0.00 0.00 64.86 64.99 1sxj h ILE 232 Cb 3.04 2.05 -0.09 0.00 -0.74 0.00 0.00 36.82 41.08 1sxj h ILE 232 CO -0.34 0.35 0.49 1.88 0.00 0.00 0.00 178.15 180.53 1sxj h TYR 233 N -1.00 0.87 -0.08 1.37 0.99 0.52 -1.67 116.97 117.97 1sxj h TYR 233 Ca -0.08 0.03 -0.23 0.00 2.00 0.00 0.00 58.73 60.46 1sxj h TYR 233 Cb 0.79 -0.26 0.01 0.00 1.00 0.00 0.00 36.73 38.28 1sxj h TYR 233 CO 0.13 0.28 -0.85 0.93 -0.00 0.00 0.00 178.16 178.64 1sxj h GLU 234 N 0.74 0.63 0.17 4.88 5.08 -1.07 0.26 114.58 125.28 1sxj h GLU 234 Ca 0.45 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1sxj h GLU 234 Cb 0.55 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1sxj h GLU 234 CO -0.31 1.19 -0.25 0.00 -1.00 0.00 0.00 179.01 178.64 1sxj n GLY 237 N 0.89 0.00 3.11 0.00 0.00 -0.86 -4.92 105.19 103.41 1sxj n GLY 237 Ca 0.37 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 1sxj n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxj s ALA 238 N -2.48 1.06 1.14 4.61 0.00 0.91 -4.89 121.76 122.12 1sxj s ALA 238 Ca 0.00 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 1sxj s ALA 238 Cb 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 23.12 23.11 1sxj s ALA 238 CO 0.00 0.21 0.27 -2.30 0.00 0.00 0.00 175.76 173.94 1sxj n PRO 239 N 2.11 -2.28 -4.36 0.00 -0.02 -1.26 -4.44 135.00 124.75 1sxj n PRO 239 Ca -0.17 -0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 60.45 1sxj n PRO 239 Cb 0.55 -1.70 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 1sxj n PRO 239 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1sxj s ARG 240 N -3.71 0.88 0.19 -0.52 3.52 -1.26 -4.92 118.95 113.13 1sxj s ARG 240 Ca 0.53 -0.66 -0.24 0.00 -0.13 0.00 0.00 55.73 55.23 1sxj s ARG 240 Cb -0.11 -0.86 0.08 0.00 -1.56 0.00 0.00 34.95 32.50 1sxj s ARG 240 CO 0.56 0.22 1.55 -1.35 -0.81 0.00 0.00 175.30 175.47 1sxj h PRO 241 N 5.14 -0.08 -0.06 5.12 0.11 -1.98 0.27 132.00 140.53 1sxj h PRO 241 Ca -0.36 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.77 1sxj h PRO 241 Cb 1.18 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1sxj h PRO 241 CO 0.45 -0.05 -0.42 0.66 -0.21 0.00 0.00 178.00 178.43 1sxj h SER 242 N -0.08 -1.31 0.00 -2.05 4.64 -1.97 0.94 113.55 113.73 1sxj h SER 242 Ca 0.24 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1sxj h SER 242 Cb 0.53 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1sxj h SER 242 CO -0.87 -0.39 0.00 0.47 -0.87 0.00 0.00 176.83 175.17 1sxj n ASP 243 N -4.76 0.00 -0.16 4.97 8.00 -0.70 -0.94 116.55 122.96 1sxj n ASP 243 Ca -0.05 0.97 -0.11 0.00 0.71 0.00 0.00 54.79 56.31 1sxj n ASP 243 Cb 0.30 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 1sxj n ASP 243 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1sxj h LEU 244 N 0.00 -1.54 0.00 0.64 5.85 -0.93 0.35 115.31 119.69 1sxj h LEU 244 Ca 0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1sxj h LEU 244 Cb 0.00 0.64 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1sxj h LEU 244 CO 0.00 -0.29 0.08 1.17 -0.34 0.00 0.00 178.44 179.06 1sxj n LYS 245 N -4.82 0.00 -0.11 1.25 4.81 0.33 -0.62 118.16 119.00 1sxj n LYS 245 Ca -0.02 0.36 -0.24 0.00 -0.87 0.00 0.00 58.31 57.54 1sxj n LYS 245 Cb 0.26 -1.58 -0.11 0.00 0.02 0.00 0.00 35.03 33.62 1sxj n LYS 245 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sxj n ALA 246 N -1.35 0.95 -0.15 3.14 0.00 0.11 -3.95 120.51 119.26 1sxj n ALA 246 Ca 0.00 -0.72 0.24 0.00 0.00 0.00 0.00 53.44 52.96 1sxj n ALA 246 Cb 0.08 -0.34 0.66 0.00 0.00 0.00 0.00 19.45 19.85 1sxj n ALA 246 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sxj h VAL 247 N -0.84 0.63 0.04 0.00 2.07 0.87 0.92 116.25 119.94 1sxj h VAL 247 Ca -0.48 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1sxj h VAL 247 Cb 1.51 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1sxj h VAL 247 CO -0.24 0.02 -0.02 0.25 0.02 0.00 0.00 177.57 177.60 1sxj h LEU 248 N 0.11 -0.04 -0.52 2.57 5.85 -1.58 -2.60 115.31 119.10 1sxj h LEU 248 Ca 0.39 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1sxj h LEU 248 Cb 1.39 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.37 1sxj h LEU 248 CO -0.05 0.26 0.14 0.50 -0.34 0.00 0.00 178.44 178.95 1sxj h LYS 249 N -0.35 0.28 -0.78 1.25 3.64 -0.96 0.18 116.57 119.83 1sxj h LYS 249 Ca -0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1sxj h LYS 249 Cb 0.32 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1sxj h LYS 249 CO 0.01 0.18 0.51 0.77 -2.27 0.00 0.00 179.45 178.65 1sxj h SER 250 N 0.29 0.83 -0.17 4.20 0.02 -1.37 0.23 113.55 117.57 1sxj h SER 250 Ca 0.26 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1sxj h SER 250 Cb 0.33 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1sxj h SER 250 CO -0.31 0.57 -0.36 0.40 -1.14 0.00 0.00 176.83 176.00 1sxj h ILE 251 N 0.96 1.35 -0.15 3.27 2.04 -0.73 -2.98 117.51 121.26 1sxj h ILE 251 Ca 0.31 -1.61 -0.08 0.00 1.00 0.00 0.00 64.86 64.48 1sxj h ILE 251 Cb 0.03 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1sxj h ILE 251 CO -0.09 0.49 -0.23 -0.07 0.00 0.00 0.00 178.15 178.26 1sxj h LEU 252 N 0.19 0.47 0.00 1.44 3.38 -0.16 -3.43 115.31 117.19 1sxj h LEU 252 Ca 0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1sxj h LEU 252 Cb 0.96 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1sxj h LEU 252 CO 0.08 0.90 0.00 -0.62 0.09 0.00 0.00 178.44 178.88 1sxj n GLU 253 N -4.46 0.00 -0.87 1.13 1.02 0.76 -5.02 120.64 113.21 1sxj n GLU 253 Ca -0.06 0.13 -0.34 0.00 -0.02 0.00 0.00 57.16 56.87 1sxj n GLU 253 Cb 0.42 -0.60 0.10 0.00 -0.02 0.00 0.00 31.44 31.34 1sxj n GLU 253 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1sxj n ASP 254 N -2.28 -3.23 -3.74 1.62 8.00 -1.13 -4.97 116.55 110.83 1sxj n ASP 254 Ca 0.00 0.29 -0.30 0.00 0.71 0.00 0.00 54.79 55.49 1sxj n ASP 254 Cb 0.00 -1.07 0.27 0.00 -0.02 0.00 0.00 41.12 40.29 1sxj n ASP 254 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1sxj s ASP 255 N -1.70 -0.09 0.03 -2.24 1.01 -1.26 -4.66 116.67 107.76 1sxj s ASP 255 Ca 0.52 0.88 -0.30 0.00 0.71 0.00 0.00 52.55 54.37 1sxj s ASP 255 Cb -0.21 -1.28 -0.17 0.00 1.01 0.00 0.00 42.92 42.28 1sxj s ASP 255 CO 0.72 -4.77 1.24 -0.50 0.21 0.00 0.00 175.17 172.07 1sxj h TRP 256 N -3.02 -0.97 -0.94 4.23 4.06 -1.93 -1.09 115.95 116.29 1sxj h TRP 256 Ca -0.47 -0.02 0.26 0.00 2.06 0.00 0.00 58.89 60.72 1sxj h TRP 256 Cb 1.33 0.32 -0.14 0.00 -1.00 0.00 0.00 29.16 29.67 1sxj h TRP 256 CO -2.33 -0.60 0.43 0.78 -3.56 0.00 0.00 178.44 173.16 1sxj h GLY 257 N -1.26 1.71 0.50 1.49 0.00 -1.97 0.90 103.07 104.43 1sxj h GLY 257 Ca -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1sxj h GLY 257 CO 0.18 -0.37 -0.06 -0.91 0.00 0.00 0.00 176.54 175.38 1sxj h THR 258 N 0.34 1.06 -0.38 4.70 1.35 -1.90 -2.79 112.91 115.29 1sxj h THR 258 Ca 0.63 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1sxj h THR 258 Cb 1.30 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.37 1sxj h THR 258 CO -0.58 0.23 0.20 0.00 -0.25 0.00 0.00 175.52 175.12 1sxj h ALA 259 N 0.09 0.49 -0.20 6.62 0.00 -0.25 -0.08 119.26 125.94 1sxj h ALA 259 Ca -0.02 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sxj h ALA 259 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sxj h ALA 259 CO 0.03 0.02 0.35 1.25 0.00 0.00 0.00 179.25 180.90 1sxj h HIS 260 N 0.49 0.00 0.00 0.00 6.17 0.73 -0.62 115.15 121.92 1sxj h HIS 260 Ca 0.13 0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.15 1sxj h HIS 260 Cb 0.07 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 29.99 1sxj h HIS 260 CO -0.02 0.00 -0.41 -0.92 0.71 0.00 0.00 177.93 177.29 1sxj h TYR 261 N 0.00 0.00 -0.56 5.26 3.20 -0.81 -3.00 116.97 121.06 1sxj h TYR 261 Ca 0.10 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.07 1sxj h TYR 261 Cb 0.80 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.96 1sxj h TYR 261 CO 0.00 0.73 -0.32 1.15 -1.64 0.00 0.00 178.16 178.09 1sxj h THR 262 N -1.00 0.20 0.48 1.81 2.02 0.35 0.14 112.91 116.91 1sxj h THR 262 Ca -0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1sxj h THR 262 Cb 0.77 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1sxj h THR 262 CO -0.05 0.00 -0.24 0.25 0.37 0.00 0.00 175.52 175.84 1sxj h LEU 263 N -0.16 -0.59 -1.91 2.58 5.85 -1.38 -0.03 115.31 119.67 1sxj h LEU 263 Ca 0.23 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.15 1sxj h LEU 263 Cb 0.54 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1sxj h LEU 263 CO -0.65 -0.41 0.56 -1.13 -0.34 0.00 0.00 178.44 176.47 1sxj h ASN 264 N -0.66 0.00 0.00 1.25 -0.00 -1.10 -2.12 115.58 112.95 1sxj h ASN 264 Ca -0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.04 1sxj h ASN 264 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.81 1sxj h ASN 264 CO 0.10 0.00 -1.23 2.29 -0.00 0.00 0.00 177.43 178.59 1sxj n LYS 265 N -3.84 0.54 -0.34 6.67 2.85 0.39 -3.58 118.16 120.85 1sxj n LYS 265 Ca 0.12 0.53 0.13 0.00 -1.05 0.00 0.00 58.31 58.03 1sxj n LYS 265 Cb 0.79 -1.70 0.32 0.00 -0.65 0.00 0.00 35.03 33.78 1sxj n LYS 265 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1sxj h VAL 266 N -1.00 0.66 0.14 0.58 2.07 -0.67 0.56 116.25 118.59 1sxj h VAL 266 Ca -0.30 -0.23 -0.29 0.00 0.82 0.00 0.00 66.70 66.70 1sxj h VAL 266 Cb 1.16 -0.08 0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1sxj h VAL 266 CO -0.18 0.12 -1.26 0.08 0.02 0.00 0.00 177.57 176.35 1sxj h ARG 267 N 0.68 0.41 0.00 1.57 0.11 -1.60 -2.89 114.38 112.67 1sxj h ARG 267 Ca 0.57 -0.64 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 1sxj h ARG 267 Cb 0.94 0.23 -0.00 0.00 1.11 0.00 0.00 29.97 32.24 1sxj h ARG 267 CO -0.41 1.29 -0.12 0.66 0.10 0.00 0.00 179.97 181.48 1sxj h SER 268 N 0.14 0.00 0.47 0.08 4.64 -1.44 0.38 113.55 117.83 1sxj h SER 268 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1sxj h SER 268 Cb 1.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1sxj h SER 268 CO 0.22 0.06 -0.59 0.00 -0.87 0.00 0.00 176.83 175.66 1sxj n ALA 269 N -2.12 3.61 -0.31 5.18 0.00 0.19 -4.07 120.51 123.00 1sxj n ALA 269 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1sxj n ALA 269 Cb 0.56 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1sxj n ALA 269 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sxj n LYS 270 N -1.57 -0.45 -1.79 0.00 4.81 -1.09 -5.01 118.16 113.05 1sxj n LYS 270 Ca 0.05 -0.42 -0.12 0.00 -0.87 0.00 0.00 58.31 56.95 1sxj n LYS 270 Cb 0.35 -0.85 -0.03 0.00 0.02 0.00 0.00 35.03 34.53 1sxj n LYS 270 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sxj n GLY 271 N -0.03 0.56 3.91 3.14 0.00 0.31 -4.91 105.19 108.16 1sxj n GLY 271 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1sxj n GLY 271 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxj s LEU 272 N -2.99 2.72 -0.00 0.99 1.43 0.11 -4.98 118.68 115.95 1sxj s LEU 272 Ca 0.00 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1sxj s LEU 272 Cb 0.00 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 1sxj s LEU 272 CO 0.00 -1.65 -0.07 0.00 0.23 0.00 0.00 176.35 174.86 1sxj s ALA 273 N -3.40 0.55 0.19 4.21 0.00 -1.26 -4.67 121.76 117.37 1sxj s ALA 273 Ca 0.60 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 1sxj s ALA 273 Cb -0.11 -0.13 0.22 0.00 0.00 0.00 0.00 23.12 23.10 1sxj s ALA 273 CO 0.48 0.13 1.20 1.28 0.00 0.00 0.00 175.76 178.85 1sxj n LEU 274 N 2.84 -0.46 -0.36 0.00 4.77 -1.26 0.08 117.00 122.61 1sxj n LEU 274 Ca -0.13 1.35 -0.04 0.00 -0.03 0.00 0.00 56.01 57.15 1sxj n LEU 274 Cb 0.58 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1sxj n LEU 274 CO 0.25 -1.23 0.50 -0.38 -1.33 0.00 0.00 177.39 175.21 1sxj n ILE 275 N -5.16 -0.53 0.27 -0.08 5.41 -1.26 0.29 119.36 118.30 1sxj n ILE 275 Ca 0.09 2.16 -0.16 0.00 1.00 0.00 0.00 62.75 65.84 1sxj n ILE 275 Cb 0.33 -2.79 -0.08 0.00 -0.71 0.00 0.00 39.64 36.38 1sxj n ILE 275 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1sxj h ASP 276 N 0.00 -0.54 -0.03 4.38 3.32 -0.77 -2.77 116.42 120.00 1sxj h ASP 276 Ca 0.26 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.35 1sxj h ASP 276 Cb 0.49 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1sxj h ASP 276 CO -0.89 -0.37 -0.37 -0.07 -1.72 0.00 0.00 179.24 175.82 1sxj h LEU 277 N -0.67 -1.13 -0.35 1.55 3.38 -0.63 -2.39 115.31 115.06 1sxj h LEU 277 Ca -0.07 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1sxj h LEU 277 Cb 0.51 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1sxj h LEU 277 CO 0.11 -0.42 -0.30 0.40 0.09 0.00 0.00 178.44 178.32 1sxj h ILE 278 N -0.50 0.00 -0.52 1.22 2.04 -0.13 0.66 117.51 120.27 1sxj h ILE 278 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1sxj h ILE 278 Cb 0.60 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 1sxj h ILE 278 CO -0.31 0.00 -0.38 -0.08 0.00 0.00 0.00 178.15 177.38 1sxj h GLU 279 N -0.12 -0.09 -0.85 2.37 4.81 -1.27 0.24 114.58 119.68 1sxj h GLU 279 Ca 0.06 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.48 1sxj h GLU 279 Cb 0.27 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.56 1sxj h GLU 279 CO -0.39 -0.06 0.38 0.78 -0.73 0.00 0.00 179.01 178.99 1sxj h GLY 280 N -0.09 1.40 0.87 1.92 0.00 -0.90 -1.30 103.07 104.97 1sxj h GLY 280 Ca 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1sxj h GLY 280 CO -0.54 -0.17 0.01 -2.22 0.00 0.00 0.00 176.54 173.62 1sxj h ILE 281 N 0.46 1.11 -1.01 2.60 2.04 0.15 -0.67 117.51 122.19 1sxj h ILE 281 Ca 0.50 -0.32 0.25 0.00 1.00 0.00 0.00 64.86 66.29 1sxj h ILE 281 Cb 0.85 1.28 -0.12 0.00 -0.74 0.00 0.00 36.82 38.10 1sxj h ILE 281 CO -0.46 0.09 0.61 0.58 0.00 0.00 0.00 178.15 178.96 1sxj h VAL 282 N -0.09 0.53 0.07 1.67 2.07 0.52 0.79 116.25 121.81 1sxj h VAL 282 Ca 0.01 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 1sxj h VAL 282 Cb 0.13 -0.07 0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1sxj h VAL 282 CO -0.00 0.10 -0.63 0.50 0.02 0.00 0.00 177.57 177.56 1sxj h LYS 283 N 0.55 0.30 -0.07 1.57 3.64 -1.17 -0.52 116.57 120.88 1sxj h LYS 283 Ca 0.64 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1sxj h LYS 283 Cb 1.28 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1sxj h LYS 283 CO -0.46 1.15 0.03 0.82 -2.27 0.00 0.00 179.45 178.72 1sxj h ILE 284 N -0.35 1.03 0.00 2.00 1.08 -0.00 -1.13 117.51 120.13 1sxj h ILE 284 Ca -0.10 -0.09 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1sxj h ILE 284 Cb 1.43 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.12 1sxj h ILE 284 CO 0.12 0.03 -0.78 0.25 -0.69 0.00 0.00 178.15 177.08 1sxj h LEU 285 N 0.09 0.00 -0.21 1.44 5.85 0.54 -3.32 115.31 119.70 1sxj h LEU 285 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sxj h LEU 285 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1sxj h LEU 285 CO -0.00 0.21 0.00 1.21 -0.34 0.00 0.00 178.44 179.52 1sxj n GLU 286 N -2.91 0.05 -0.00 1.25 2.13 -0.20 -2.60 120.64 118.35 1sxj n GLU 286 Ca -0.01 0.33 0.10 0.00 0.66 0.00 0.00 57.16 58.24 1sxj n GLU 286 Cb 0.64 -1.60 -0.13 0.00 0.27 0.00 0.00 31.44 30.62 1sxj n GLU 286 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1sxj n ASP 287 N -1.69 0.65 -4.66 4.31 8.00 -1.22 -4.96 116.55 116.97 1sxj n ASP 287 Ca 0.03 -0.63 -0.30 0.00 0.71 0.00 0.00 54.79 54.59 1sxj n ASP 287 Cb 0.16 1.33 0.17 0.00 -0.02 0.00 0.00 41.12 42.75 1sxj n ASP 287 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1sxj s TYR 288 N -3.18 1.87 -0.82 1.24 4.12 -1.07 -4.94 117.35 114.57 1sxj s TYR 288 Ca 0.02 1.49 0.02 0.00 0.02 0.00 0.00 57.07 58.63 1sxj s TYR 288 Cb 0.15 -3.20 0.33 0.00 -1.52 0.00 0.00 41.96 37.72 1sxj s TYR 288 CO 0.88 -2.80 1.37 0.39 0.02 0.00 0.00 175.55 175.42 1sxj n GLU 289 N -4.20 4.30 -0.86 -0.62 1.02 -1.26 -5.07 120.64 113.95 1sxj n GLU 289 Ca 0.08 -4.75 -0.30 0.00 -0.02 0.00 0.00 57.16 52.17 1sxj n GLU 289 Cb 0.53 -2.36 0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1sxj n GLU 289 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1sxj n LEU 290 N -0.03 -4.59 0.00 -4.62 4.77 -1.26 -4.97 117.00 106.29 1sxj n LEU 290 Ca 0.38 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1sxj n LEU 290 Cb 0.33 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1sxj n LEU 290 CO 0.45 -4.78 0.06 1.67 -1.33 0.00 0.00 177.39 173.45 1sxj n GLN 291 N 1.89 0.00 -3.50 3.23 -0.06 -1.26 -4.91 117.38 112.78 1sxj n GLN 291 Ca -0.00 0.27 -0.31 0.00 -2.00 0.00 0.00 57.00 54.95 1sxj n GLN 291 Cb 0.45 -0.84 -0.05 0.00 -4.06 0.00 0.00 30.24 25.74 1sxj n GLN 291 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 1sxj s ASN 292 N -2.06 6.56 0.36 1.69 3.84 -1.26 -5.00 114.94 119.07 1sxj s ASN 292 Ca 0.00 0.79 0.11 0.00 0.21 0.00 0.00 52.86 53.96 1sxj s ASN 292 Cb 0.00 -2.17 0.67 0.00 -0.55 0.00 0.00 41.25 39.20 1sxj s ASN 292 CO 0.00 -0.04 1.82 -0.08 -2.79 0.00 0.00 177.10 176.00 1sxj h GLU 293 N 2.55 0.10 -0.04 0.43 4.81 -2.02 -2.54 114.58 117.87 1sxj h GLU 293 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1sxj h GLU 293 Cb 1.17 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1sxj h GLU 293 CO 0.70 0.43 0.02 0.93 -0.73 0.00 0.00 179.01 180.36 1sxj h GLU 294 N 0.09 0.03 -0.55 1.92 5.08 -1.99 -0.68 114.58 118.48 1sxj h GLU 294 Ca 0.01 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1sxj h GLU 294 Cb 0.64 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1sxj h GLU 294 CO 0.05 0.02 0.22 1.15 -1.00 0.00 0.00 179.01 179.45 1sxj h THR 295 N 0.03 0.84 0.84 1.13 2.02 -1.71 -0.86 112.91 115.20 1sxj h THR 295 Ca 0.01 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1sxj h THR 295 Cb 0.02 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1sxj h THR 295 CO -0.00 0.08 -0.40 -0.09 0.37 0.00 0.00 175.52 175.47 1sxj h ARG 296 N 0.42 -1.09 0.00 6.66 9.65 -1.27 -2.62 114.38 126.14 1sxj h ARG 296 Ca 0.26 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1sxj h ARG 296 Cb 0.27 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1sxj h ARG 296 CO -0.24 -0.72 0.00 0.28 2.80 0.00 0.00 179.97 182.09 1sxj n VAL 297 N -5.54 0.00 -0.41 0.20 0.31 -0.88 -0.64 118.33 111.36 1sxj n VAL 297 Ca -0.15 1.10 0.34 0.00 -0.01 0.00 0.00 64.34 65.62 1sxj n VAL 297 Cb 0.45 -1.72 0.62 0.00 -0.91 0.00 0.00 33.84 32.29 1sxj n VAL 297 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1sxj h HIS 298 N 0.00 0.52 0.68 3.52 3.86 -1.31 0.21 115.15 122.64 1sxj h HIS 298 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1sxj h HIS 298 Cb 0.00 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.34 1sxj h HIS 298 CO -0.13 -0.13 -0.33 1.25 0.86 0.00 0.00 177.93 179.46 1sxj h LEU 299 N 0.16 -0.78 -1.00 2.43 5.85 -0.96 -0.91 115.31 120.10 1sxj h LEU 299 Ca 0.76 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.50 1sxj h LEU 299 Cb 2.32 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 43.50 1sxj h LEU 299 CO -0.36 -0.44 0.66 -0.07 -0.34 0.00 0.00 178.44 177.88 1sxj h LEU 300 N -1.11 1.11 0.17 2.25 3.38 0.11 -1.39 115.31 119.82 1sxj h LEU 300 Ca -0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1sxj h LEU 300 Cb 0.74 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1sxj h LEU 300 CO 0.15 0.77 -0.12 0.74 0.09 0.00 0.00 178.44 180.07 1sxj h THR 301 N 1.29 0.00 -0.39 0.22 2.02 -0.57 0.97 112.91 116.45 1sxj h THR 301 Ca 0.39 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.63 1sxj h THR 301 Cb -0.04 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.31 1sxj h THR 301 CO -0.11 0.00 0.08 0.11 0.37 0.00 0.00 175.52 175.96 1sxj h LYS 302 N -0.28 0.20 -0.73 6.66 1.57 -1.15 0.97 116.57 123.81 1sxj h LYS 302 Ca -0.02 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1sxj h LYS 302 Cb 0.23 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 1sxj h LYS 302 CO 0.01 0.13 0.40 -0.07 -0.57 0.00 0.00 179.45 179.35 1sxj h LEU 303 N 0.20 0.56 -1.25 2.94 -0.00 -1.25 0.32 115.31 116.83 1sxj h LEU 303 Ca 0.18 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 58.05 1sxj h LEU 303 Cb 0.22 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1sxj h LEU 303 CO -0.24 0.33 -0.13 0.00 -0.00 0.00 0.00 178.44 178.40 1sxj h ALA 304 N 1.41 1.38 -0.16 1.53 0.00 0.15 -1.24 119.26 122.32 1sxj h ALA 304 Ca 0.35 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1sxj h ALA 304 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sxj h ALA 304 CO -0.24 0.43 -0.20 -0.44 0.00 0.00 0.00 179.25 178.80 1sxj h ASP 305 N 0.33 0.46 0.50 0.00 3.45 0.12 -2.63 116.42 118.66 1sxj h ASP 305 Ca 0.06 -0.51 -0.01 0.00 0.43 0.00 0.00 57.03 57.01 1sxj h ASP 305 Cb 0.44 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.06 1sxj h ASP 305 CO 0.03 0.87 -0.51 0.40 -1.57 0.00 0.00 179.24 178.46 1sxj h ILE 306 N 0.06 0.00 -0.96 0.35 1.08 -0.08 -1.21 117.51 116.74 1sxj h ILE 306 Ca 0.02 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.77 1sxj h ILE 306 Cb 0.76 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.37 1sxj h ILE 306 CO 0.05 0.00 0.46 -0.08 -0.69 0.00 0.00 178.15 177.89 1sxj h GLU 307 N -1.01 0.31 -0.14 2.37 4.81 -1.30 -0.83 114.58 118.80 1sxj h GLU 307 Ca -0.06 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1sxj h GLU 307 Cb 0.88 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1sxj h GLU 307 CO -0.07 0.21 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.49 1sxj h TYR 308 N 0.32 0.28 -0.35 0.92 3.20 -0.96 -2.96 116.97 117.43 1sxj h TYR 308 Ca 0.66 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.47 1sxj h TYR 308 Cb 1.41 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 1sxj h TYR 308 CO -0.10 0.50 0.19 0.77 -1.64 0.00 0.00 178.16 177.89 1sxj h SER 309 N -0.02 0.42 -0.40 -2.11 0.02 -0.03 -2.58 113.55 108.85 1sxj h SER 309 Ca 0.04 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1sxj h SER 309 Cb 0.40 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1sxj h SER 309 CO 0.01 0.34 0.20 0.40 -1.14 0.00 0.00 176.83 176.64 1sxj h ILE 310 N 0.48 1.17 0.00 3.27 5.03 -1.24 -2.34 117.51 123.88 1sxj h ILE 310 Ca 0.13 -0.46 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1sxj h ILE 310 Cb 0.02 0.73 0.00 0.00 -3.03 0.00 0.00 36.82 34.54 1sxj h ILE 310 CO -0.02 0.18 0.07 -1.54 -0.68 0.00 0.00 178.15 176.16 1sxj n SER 311 N -4.70 0.00 0.00 1.72 3.41 -0.97 0.10 113.62 113.18 1sxj n SER 311 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1sxj n SER 311 Cb 0.10 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1sxj n SER 311 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sxj n LYS 312 N -1.17 1.55 -2.57 4.33 5.02 -0.89 -5.07 118.16 119.35 1sxj n LYS 312 Ca 0.00 -1.13 -0.01 0.00 -2.02 0.00 0.00 58.31 55.15 1sxj n LYS 312 Cb 0.07 -0.99 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1sxj n LYS 312 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sxj n GLY 313 N -0.32 -4.28 0.01 0.72 0.00 0.29 -5.06 105.19 96.55 1sxj n GLY 313 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1sxj n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxj n GLY 314 N 0.73 -0.42 2.93 -0.02 0.00 -1.25 -5.03 105.19 102.14 1sxj n GLY 314 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1sxj n GLY 314 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sxj s ASN 315 N -1.56 -1.13 0.16 1.61 3.84 -1.26 -5.05 114.94 111.55 1sxj s ASN 315 Ca 0.00 -0.88 0.04 0.00 0.21 0.00 0.00 52.86 52.23 1sxj s ASN 315 Cb 0.00 1.46 0.47 0.00 -0.55 0.00 0.00 41.25 42.63 1sxj s ASN 315 CO 0.00 -0.09 0.77 0.47 -2.79 0.00 0.00 177.10 175.46 1sxj n ASP 316 N 3.64 0.02 0.33 -4.21 8.00 -1.26 -0.88 116.55 122.18 1sxj n ASP 316 Ca 0.12 0.83 -0.13 0.00 0.71 0.00 0.00 54.79 56.32 1sxj n ASP 316 Cb 0.59 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 1sxj n ASP 316 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1sxj h GLN 317 N 0.00 -0.80 -0.16 -1.24 4.20 -2.00 -2.69 115.11 112.41 1sxj h GLN 317 Ca 0.34 0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.15 1sxj h GLN 317 Cb 0.77 0.18 -0.06 0.00 0.30 0.00 0.00 27.48 28.68 1sxj h GLN 317 CO -0.44 -0.54 -0.22 0.82 -0.67 0.00 0.00 178.83 177.78 1sxj h ILE 318 N -0.91 0.44 -0.84 2.54 2.04 -1.44 -1.16 117.51 118.18 1sxj h ILE 318 Ca -0.09 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.01 1sxj h ILE 318 Cb 0.64 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1sxj h ILE 318 CO 0.14 0.00 0.59 1.56 0.00 0.00 0.00 178.15 180.44 1sxj h GLN 319 N -0.27 0.05 0.08 2.37 4.20 -1.47 0.38 115.11 120.45 1sxj h GLN 319 Ca 0.11 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1sxj h GLN 319 Cb 0.43 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1sxj h GLN 319 CO -0.32 0.04 -0.04 0.78 -0.67 0.00 0.00 178.83 178.62 1sxj h GLY 320 N 0.06 -0.11 1.62 3.46 0.00 -0.87 -2.22 103.07 105.01 1sxj h GLY 320 Ca 0.40 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.82 1sxj h GLY 320 CO -0.03 -0.04 0.14 1.76 0.00 0.00 0.00 176.54 178.37 1sxj h SER 321 N -0.71 0.00 -0.55 0.19 0.02 -0.57 0.92 113.55 112.85 1sxj h SER 321 Ca -0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1sxj h SER 321 Cb 0.57 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1sxj h SER 321 CO 0.02 0.00 0.12 0.00 -1.14 0.00 0.00 176.83 175.83 1sxj h ALA 322 N 1.89 0.72 -0.34 3.77 0.00 -0.14 0.12 119.26 125.28 1sxj h ALA 322 Ca 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1sxj h ALA 322 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sxj h ALA 322 CO -0.00 0.44 0.13 0.28 0.00 0.00 0.00 179.25 180.10 1sxj h VAL 323 N 0.78 1.19 -0.12 0.00 2.07 -0.22 0.26 116.25 120.23 1sxj h VAL 323 Ca 0.17 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1sxj h VAL 323 Cb 0.37 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1sxj h VAL 323 CO 0.00 0.21 0.07 0.40 0.02 0.00 0.00 177.57 178.28 1sxj h ILE 324 N 0.41 1.05 0.40 4.57 2.04 -1.15 -0.93 117.51 123.90 1sxj h ILE 324 Ca 0.11 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1sxj h ILE 324 Cb 0.21 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1sxj h ILE 324 CO -0.01 0.05 -0.37 1.23 0.00 0.00 0.00 178.15 179.05 1sxj h GLY 325 N 0.13 -0.89 0.14 5.37 0.00 -0.50 0.43 103.07 107.75 1sxj h GLY 325 Ca 0.04 0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.87 1sxj h GLY 325 CO -0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 176.54 176.00 1sxj h ALA 326 N -0.37 -0.05 -0.82 3.60 0.00 -0.35 0.72 119.26 121.99 1sxj h ALA 326 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sxj h ALA 326 Cb 0.70 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1sxj h ALA 326 CO -0.05 -0.63 0.54 0.82 0.00 0.00 0.00 179.25 179.93 1sxj h ILE 327 N -0.20 1.19 0.44 0.00 1.08 -1.06 -2.01 117.51 116.94 1sxj h ILE 327 Ca 0.15 -0.37 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1sxj h ILE 327 Cb 0.43 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1sxj h ILE 327 CO -0.40 0.20 -0.21 0.50 -0.69 0.00 0.00 178.15 177.55 1sxj h LYS 328 N 1.09 -0.56 -0.77 2.37 3.64 -0.09 -3.15 116.57 119.10 1sxj h LYS 328 Ca 0.31 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.85 1sxj h LYS 328 Cb -0.10 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 31.72 1sxj h LYS 328 CO -0.08 -0.38 -0.36 0.00 -2.27 0.00 0.00 179.45 176.37 1sxj h ALA 329 N -1.32 0.04 -0.02 5.00 0.00 0.43 0.27 119.26 123.66 1sxj h ALA 329 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sxj h ALA 329 Cb 0.45 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1sxj h ALA 329 CO 0.10 -0.66 0.06 0.66 0.00 0.00 0.00 179.25 179.41 1sxj h SER 330 N -0.09 0.00 -1.71 0.00 4.64 -1.47 -3.18 113.55 111.74 1sxj h SER 330 Ca 0.28 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.84 1sxj h SER 330 Cb 0.57 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.46 1sxj h SER 330 CO -0.81 0.00 1.63 0.49 -0.87 0.00 0.00 176.83 177.26 1sxj n PHE 331 N -3.26 2.66 -0.93 4.77 3.01 0.94 -4.26 117.46 120.39 1sxj n PHE 331 Ca -0.02 -2.64 0.09 0.00 1.01 0.00 0.00 57.45 55.88 1sxj n PHE 331 Cb 0.13 -1.49 0.13 0.00 -0.01 0.00 0.00 39.48 38.24 1sxj n PHE 331 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1sxj n GLU 332 N 0.74 1.56 0.00 -1.08 0.28 -1.20 -5.01 120.64 115.93 1sxj n GLU 332 Ca 0.54 -2.45 0.00 0.00 -0.16 0.00 0.00 57.16 55.09 1sxj n GLU 332 Cb 0.26 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.68 1sxj n GLU 332 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06