#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxj h TRP 27 N 0.00 0.00 0.26 6.00 6.55 -1.94 0.16 115.95 126.98 1sxj h TRP 27 Ca 0.00 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 1sxj h TRP 27 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.27 1sxj h TRP 27 CO 0.00 0.00 -0.35 0.28 -1.05 0.00 0.00 178.44 177.32 1sxj h VAL 28 N 0.00 0.27 0.00 1.49 2.07 -1.94 0.34 116.25 118.49 1sxj h VAL 28 Ca 0.15 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.52 1sxj h VAL 28 Cb 1.21 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1sxj h VAL 28 CO -0.00 0.00 -0.99 -0.33 0.02 0.00 0.00 177.57 176.27 1sxj h GLU 29 N -0.67 0.00 0.00 1.57 4.39 -1.54 -3.23 114.58 115.10 1sxj h GLU 29 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sxj h GLU 29 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1sxj h GLU 29 CO -0.12 0.48 0.00 1.63 -1.16 0.00 0.00 179.01 179.84 1sxj n LYS 30 N -3.10 0.12 -0.30 2.33 4.76 0.41 -2.71 118.16 119.67 1sxj n LYS 30 Ca -0.04 0.28 0.08 0.00 -2.87 0.00 0.00 58.31 55.77 1sxj n LYS 30 Cb 0.82 -1.69 0.16 0.00 -1.84 0.00 0.00 35.03 32.47 1sxj n LYS 30 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sxj n TYR 31 N -1.91 0.00 -2.23 2.13 4.02 0.12 -4.97 117.16 114.32 1sxj n TYR 31 Ca 0.04 -1.12 -0.43 0.00 -0.01 0.00 0.00 57.90 56.38 1sxj n TYR 31 Cb 0.25 -0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 1sxj n TYR 31 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1sxj s ARG 32 N -2.82 4.17 -0.47 -0.72 3.52 -1.10 -4.89 118.95 116.64 1sxj s ARG 32 Ca 0.33 1.86 -0.44 0.00 -0.13 0.00 0.00 55.73 57.34 1sxj s ARG 32 Cb 0.30 -3.88 -0.19 0.00 -1.56 0.00 0.00 34.95 29.63 1sxj s ARG 32 CO -0.01 -0.82 1.86 -2.30 -0.81 0.00 0.00 175.30 173.21 1sxj n PRO 33 N 6.93 0.19 0.08 5.12 -0.02 -1.26 -4.81 135.00 141.23 1sxj n PRO 33 Ca 0.16 0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1sxj n PRO 33 Cb 0.44 -1.62 0.16 0.00 -0.02 0.00 0.00 33.50 32.45 1sxj n PRO 33 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1sxj h LYS 34 N 7.20 0.00 -5.42 -0.52 1.57 -1.94 -3.44 116.57 114.02 1sxj h LYS 34 Ca -0.30 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.05 1sxj h LYS 34 Cb 1.38 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.48 1sxj h LYS 34 CO 1.02 0.00 -0.78 -0.80 -0.57 0.00 0.00 179.45 178.32 1sxj s ASN 35 N -4.58 1.76 0.61 0.86 0.01 -1.26 -4.74 114.94 107.59 1sxj s ASN 35 Ca 0.05 -0.63 0.29 0.00 -0.71 0.00 0.00 52.86 51.86 1sxj s ASN 35 Cb 0.12 -0.06 1.53 0.00 0.41 0.00 0.00 41.25 43.25 1sxj s ASN 35 CO 0.72 -0.07 1.91 0.25 -1.51 0.00 0.00 177.10 178.41 1sxj h LEU 36 N 4.25 0.00 -0.24 0.60 5.85 -1.89 0.13 115.31 124.01 1sxj h LEU 36 Ca -0.41 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.09 1sxj h LEU 36 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1sxj h LEU 36 CO 0.40 0.00 -0.86 0.44 -0.34 0.00 0.00 178.44 178.09 1sxj h ASP 37 N 0.00 0.58 -0.99 1.25 3.32 -1.98 -3.28 116.42 115.32 1sxj h ASP 37 Ca 0.13 -0.42 0.16 0.00 0.02 0.00 0.00 57.03 56.92 1sxj h ASP 37 Cb 0.96 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 40.24 1sxj h ASP 37 CO -0.00 1.20 0.62 -0.33 -1.72 0.00 0.00 179.24 179.01 1sxj h GLU 38 N 0.29 0.80 -6.20 3.56 4.39 -1.12 -3.37 114.58 112.94 1sxj h GLU 38 Ca -0.06 -0.05 -0.52 0.00 0.34 0.00 0.00 59.36 59.07 1sxj h GLU 38 Cb 1.47 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.88 1sxj h GLU 38 CO 0.15 0.53 1.18 0.54 -1.16 0.00 0.00 179.01 180.25 1sxj s VAL 39 N -5.86 3.59 0.00 3.13 0.11 -1.24 -4.87 120.40 115.26 1sxj s VAL 39 Ca -0.11 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1sxj s VAL 39 Cb 0.24 -4.55 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1sxj s VAL 39 CO 0.80 -1.50 0.00 0.35 -3.33 0.00 0.00 175.10 171.42 1sxj n THR 40 N 6.73 0.00 0.00 5.04 -2.24 -1.26 -4.67 114.28 117.88 1sxj n THR 40 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1sxj n THR 40 Cb 0.50 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1sxj n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sxj n ALA 41 N -0.90 0.00 -2.94 6.98 0.00 -1.26 -3.03 120.51 119.37 1sxj n ALA 41 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1sxj n ALA 41 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1sxj n ALA 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1sxj s GLN 42 N 0.00 3.02 -0.01 0.00 2.00 -1.26 -4.85 119.66 118.56 1sxj s GLN 42 Ca 0.00 -1.29 0.08 0.00 -2.00 0.00 0.00 55.36 52.15 1sxj s GLN 42 Cb 0.00 -4.16 -0.12 0.00 0.80 0.00 0.00 33.01 29.52 1sxj s GLN 42 CO 0.00 -1.18 0.18 -0.40 -0.50 0.00 0.00 175.29 173.39 1sxj n ASP 43 N 5.58 3.05 0.18 6.67 5.75 -1.17 -4.19 116.55 132.43 1sxj n ASP 43 Ca -0.11 -0.03 0.18 0.00 -0.01 0.00 0.00 54.79 54.83 1sxj n ASP 43 Cb 0.43 1.35 0.79 0.00 -1.03 0.00 0.00 41.12 42.67 1sxj n ASP 43 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1sxj h HIS 44 N 0.00 0.00 0.00 2.11 3.86 -1.91 -0.51 115.15 118.70 1sxj h HIS 44 Ca 0.00 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.82 1sxj h HIS 44 Cb 0.36 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.77 1sxj h HIS 44 CO 0.00 0.00 -2.37 0.00 0.86 0.00 0.00 177.93 176.42 1sxj n ALA 45 N -2.21 1.43 -0.02 2.45 0.00 -1.26 -4.50 120.51 116.39 1sxj n ALA 45 Ca 0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 53.44 52.39 1sxj n ALA 45 Cb 0.48 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1sxj n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sxj h VAL 46 N -0.57 0.82 -1.04 0.00 2.07 -1.63 -1.78 116.25 114.12 1sxj h VAL 46 Ca -0.59 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.20 1sxj h VAL 46 Cb 1.64 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.15 1sxj h VAL 46 CO -0.28 0.00 0.69 0.74 0.02 0.00 0.00 177.57 178.74 1sxj h THR 47 N -0.02 0.52 -0.02 2.57 2.02 -1.36 0.50 112.91 117.12 1sxj h THR 47 Ca 0.08 -0.11 -0.20 0.00 0.77 0.00 0.00 66.41 66.95 1sxj h THR 47 Cb 0.14 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1sxj h THR 47 CO -0.17 0.06 -0.86 0.58 0.37 0.00 0.00 175.52 175.50 1sxj h VAL 48 N 0.32 1.43 -0.63 3.16 2.07 -1.56 -3.21 116.25 117.82 1sxj h VAL 48 Ca 0.57 -2.42 -0.09 0.00 0.82 0.00 0.00 66.70 65.57 1sxj h VAL 48 Cb 1.59 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.68 1sxj h VAL 48 CO -0.23 0.72 0.03 -0.07 0.02 0.00 0.00 177.57 178.04 1sxj h LEU 49 N 0.19 1.06 0.15 2.57 3.38 0.58 -2.61 115.31 120.64 1sxj h LEU 49 Ca -0.05 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1sxj h LEU 49 Cb 1.47 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1sxj h LEU 49 CO 0.14 1.09 -0.41 0.11 0.09 0.00 0.00 178.44 179.46 1sxj h LYS 50 N 1.00 -0.64 0.00 1.13 1.79 -1.10 -0.99 116.57 117.76 1sxj h LYS 50 Ca 0.18 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 1sxj h LYS 50 Cb 0.52 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1sxj h LYS 50 CO 0.03 -0.43 -0.17 0.87 -1.08 0.00 0.00 179.45 178.67 1sxj h LYS 51 N -0.66 0.00 0.00 3.15 1.57 -1.57 -1.88 116.57 117.18 1sxj h LYS 51 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1sxj h LYS 51 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1sxj h LYS 51 CO -0.22 0.17 -0.18 1.15 -0.57 0.00 0.00 179.45 179.80 1sxj h THR 52 N 0.00 0.00 -0.93 -0.16 2.02 -1.14 -3.30 112.91 109.40 1sxj h THR 52 Ca -0.00 -0.86 0.22 0.00 0.77 0.00 0.00 66.41 66.54 1sxj h THR 52 Cb 0.34 1.76 -0.07 0.00 -1.74 0.00 0.00 68.15 68.45 1sxj h THR 52 CO 0.02 0.00 0.62 0.25 0.37 0.00 0.00 175.52 176.78 1sxj h LEU 53 N 0.00 0.36 -1.01 2.58 5.85 -0.32 -0.83 115.31 121.94 1sxj h LEU 53 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1sxj h LEU 53 Cb 0.93 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1sxj h LEU 53 CO 0.00 0.13 0.00 0.29 -0.34 0.00 0.00 178.44 178.52 1sxj n LYS 54 N -4.49 1.51 -4.18 1.25 5.02 -1.24 -4.85 118.16 111.17 1sxj n LYS 54 Ca 0.20 -0.51 -0.16 0.00 -2.02 0.00 0.00 58.31 55.82 1sxj n LYS 54 Cb 0.77 -1.39 -0.13 0.00 -0.02 0.00 0.00 35.03 34.26 1sxj n LYS 54 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1sxj s SER 55 N -0.53 1.03 0.00 4.39 0.01 -0.32 -5.00 113.70 113.29 1sxj s SER 55 Ca 0.09 -0.39 0.32 0.00 1.31 0.00 0.00 55.95 57.28 1sxj s SER 55 Cb 0.06 -0.04 1.83 0.00 0.21 0.00 0.00 66.02 68.08 1sxj s SER 55 CO 0.04 -0.05 2.19 0.00 0.41 0.00 0.00 173.24 175.83 1sxj n ALA 56 N 2.04 2.68 1.73 1.44 0.00 -1.26 -3.01 120.51 124.12 1sxj n ALA 56 Ca -0.18 -0.22 0.08 0.00 0.00 0.00 0.00 53.44 53.12 1sxj n ALA 56 Cb 0.56 -1.49 0.42 0.00 0.00 0.00 0.00 19.45 18.94 1sxj n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sxj n ASN 57 N -0.91 0.55 -4.39 0.00 3.02 -1.26 -4.88 115.26 107.38 1sxj n ASN 57 Ca 0.23 -1.59 -0.51 0.00 -0.03 0.00 0.00 54.58 52.68 1sxj n ASN 57 Cb 0.13 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.16 1sxj n ASN 57 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1sxj n LEU 58 N -0.39 1.18 -4.70 3.41 7.94 -1.17 -4.88 117.00 118.40 1sxj n LEU 58 Ca 0.13 0.39 -0.30 0.00 -1.11 0.00 0.00 56.01 55.11 1sxj n LEU 58 Cb 0.14 -1.07 0.14 0.00 0.53 0.00 0.00 43.42 43.17 1sxj n LEU 58 CO 0.10 -0.81 0.67 -2.84 -1.11 0.00 0.00 177.39 173.39 1sxj s PRO 59 N 6.96 1.26 0.79 1.96 0.02 -1.26 -4.99 135.00 139.74 1sxj s PRO 59 Ca 1.19 1.16 -0.12 0.00 0.02 0.00 0.00 61.00 63.25 1sxj s PRO 59 Cb -1.15 -1.78 0.07 0.00 0.02 0.00 0.00 34.50 31.66 1sxj s PRO 59 CO 0.54 -2.33 1.13 -1.01 -0.33 0.00 0.00 177.00 174.99 1sxj s HIS 60 N -2.79 2.24 0.05 6.54 3.76 -1.26 -4.87 115.29 118.97 1sxj s HIS 60 Ca 0.64 1.63 0.01 0.00 -0.15 0.00 0.00 55.06 57.19 1sxj s HIS 60 Cb -0.20 -3.21 -0.03 0.00 1.11 0.00 0.00 32.58 30.25 1sxj s HIS 60 CO 0.58 -2.18 -0.06 0.00 -0.85 0.00 0.00 174.74 172.23 1sxj s MET 61 N -4.56 0.56 -0.27 1.40 0.23 -0.80 -1.08 119.30 114.79 1sxj s MET 61 Ca 0.66 -0.93 0.00 0.00 -1.03 0.00 0.00 55.69 54.39 1sxj s MET 61 Cb -0.21 -0.10 0.08 0.00 -1.53 0.00 0.00 34.83 33.07 1sxj s MET 61 CO 0.53 -0.01 0.04 -1.17 -2.03 0.00 0.00 175.02 172.37 1sxj s LEU 62 N -2.10 2.55 -0.12 0.18 2.96 -0.76 -1.15 118.68 120.25 1sxj s LEU 62 Ca -0.04 -1.45 -0.18 0.00 -0.22 0.00 0.00 54.13 52.24 1sxj s LEU 62 Cb -0.04 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 1sxj s LEU 62 CO -0.03 -0.34 0.49 -0.36 -1.32 0.00 0.00 176.35 174.79 1sxj s PHE 63 N 1.48 3.51 -0.11 5.38 2.99 0.86 -1.59 117.98 130.50 1sxj s PHE 63 Ca 0.04 0.90 -0.16 0.00 0.00 0.00 0.00 56.93 57.71 1sxj s PHE 63 Cb -0.18 -2.57 0.04 0.00 0.00 0.00 0.00 43.02 40.31 1sxj s PHE 63 CO -0.14 0.16 0.42 1.52 -0.00 0.00 0.00 175.22 177.17 1sxj s TYR 64 N 0.66 -0.41 -2.00 0.36 -0.85 -1.03 -0.83 117.35 113.24 1sxj s TYR 64 Ca 0.26 0.92 0.00 0.00 -0.52 0.00 0.00 57.07 57.73 1sxj s TYR 64 Cb -0.15 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.35 1sxj s TYR 64 CO 0.11 -0.30 0.00 0.41 -1.52 0.00 0.00 175.55 174.25 1sxj n GLY 65 N 2.29 -1.77 3.46 5.49 0.00 -0.83 -1.02 105.19 112.81 1sxj n GLY 65 Ca -0.16 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 1sxj n GLY 65 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sxj s PRO 66 N -1.85 -1.31 0.40 1.61 0.02 -1.26 -4.09 135.00 128.51 1sxj s PRO 66 Ca 0.00 0.69 -0.27 0.00 0.02 0.00 0.00 61.00 61.44 1sxj s PRO 66 Cb 0.00 -1.52 -0.10 0.00 0.02 0.00 0.00 34.50 32.90 1sxj s PRO 66 CO 0.00 -3.95 1.41 -2.14 -0.33 0.00 0.00 177.00 172.00 1sxj s PRO 67 N -4.55 4.00 -1.44 5.54 0.02 -1.26 -3.64 135.00 133.67 1sxj s PRO 67 Ca 0.69 2.41 -0.06 0.00 0.02 0.00 0.00 61.00 64.05 1sxj s PRO 67 Cb -0.23 -2.86 0.04 0.00 0.02 0.00 0.00 34.50 31.47 1sxj s PRO 67 CO 0.64 -0.56 0.74 0.41 -0.33 0.00 0.00 177.00 177.90 1sxj n GLY 68 N 0.58 -0.35 0.99 0.52 0.00 -1.26 -3.79 105.19 101.87 1sxj n GLY 68 Ca 0.02 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1sxj n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sxj n THR 69 N -4.44 0.16 0.00 2.61 -2.24 -1.24 -2.54 114.28 106.59 1sxj n THR 69 Ca -0.16 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1sxj n THR 69 Cb 0.61 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 1sxj n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxj n GLY 70 N 1.39 1.01 0.42 3.38 0.00 -1.26 -4.55 105.19 105.58 1sxj n GLY 70 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1sxj n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sxj h LYS 71 N 3.12 -0.97 -0.05 1.61 1.57 -1.93 -0.59 116.57 119.32 1sxj h LYS 71 Ca 0.00 0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1sxj h LYS 71 Cb 0.00 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1sxj h LYS 71 CO 0.00 -0.65 0.05 1.15 -0.57 0.00 0.00 179.45 179.43 1sxj h THR 72 N -1.01 0.69 -0.13 -0.16 2.02 -1.99 -1.77 112.91 110.57 1sxj h THR 72 Ca -0.09 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1sxj h THR 72 Cb 0.80 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1sxj h THR 72 CO 0.11 0.00 -0.31 0.28 0.37 0.00 0.00 175.52 175.97 1sxj h SER 73 N 0.00 0.49 -0.51 4.18 0.02 -1.90 -3.12 113.55 112.70 1sxj h SER 73 Ca 0.03 -0.58 0.08 0.00 -0.84 0.00 0.00 61.79 60.48 1sxj h SER 73 Cb 0.12 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1sxj h SER 73 CO -0.00 0.98 0.35 0.74 -1.14 0.00 0.00 176.83 177.76 1sxj h THR 74 N 0.02 0.92 0.22 -2.27 2.02 -0.20 -1.58 112.91 112.03 1sxj h THR 74 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1sxj h THR 74 Cb 0.92 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1sxj h THR 74 CO 0.07 0.06 -0.10 0.40 0.37 0.00 0.00 175.52 176.32 1sxj h ILE 75 N 0.36 0.00 -1.08 3.11 2.04 -1.50 -1.21 117.51 119.23 1sxj h ILE 75 Ca 0.23 -0.26 0.30 0.00 1.00 0.00 0.00 64.86 66.14 1sxj h ILE 75 Cb 0.45 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.42 1sxj h ILE 75 CO -0.06 0.00 0.68 -0.07 0.00 0.00 0.00 178.15 178.70 1sxj h LEU 76 N -0.54 0.46 0.35 1.44 3.38 -1.49 0.20 115.31 119.11 1sxj h LEU 76 Ca -0.03 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1sxj h LEU 76 Cb 0.22 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1sxj h LEU 76 CO 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.41 1sxj h ALA 77 N 1.67 -0.48 -1.00 1.53 0.00 -1.34 -0.26 119.26 119.38 1sxj h ALA 77 Ca 0.67 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.59 1sxj h ALA 77 Cb 1.69 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 19.55 1sxj h ALA 77 CO -0.40 -0.60 0.61 1.25 0.00 0.00 0.00 179.25 180.12 1sxj h LEU 78 N -0.82 0.78 -0.04 0.00 5.85 0.44 0.27 115.31 121.79 1sxj h LEU 78 Ca -0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1sxj h LEU 78 Cb 0.53 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1sxj h LEU 78 CO 0.08 0.26 -0.03 0.74 -0.34 0.00 0.00 178.44 179.15 1sxj h THR 79 N 0.75 1.35 -0.87 1.05 2.02 -0.63 -1.14 112.91 115.44 1sxj h THR 79 Ca 0.58 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1sxj h THR 79 Cb 0.92 2.01 -0.04 0.00 -1.74 0.00 0.00 68.15 69.30 1sxj h THR 79 CO -0.39 0.30 0.54 0.11 0.37 0.00 0.00 175.52 176.45 1sxj h LYS 80 N -0.33 1.16 0.00 6.66 1.57 -0.21 0.53 116.57 125.95 1sxj h LYS 80 Ca 0.01 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1sxj h LYS 80 Cb 0.50 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1sxj h LYS 80 CO 0.01 0.80 0.00 1.49 -0.57 0.00 0.00 179.45 181.18 1sxj h GLU 81 N 1.18 0.00 0.00 3.15 4.57 -0.45 -1.78 114.58 121.25 1sxj h GLU 81 Ca 0.31 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.18 1sxj h GLU 81 Cb -0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 1sxj h GLU 81 CO -0.06 0.00 -2.18 -0.11 -1.18 0.00 0.00 179.01 175.48 1sxj n LEU 82 N -3.09 2.78 -0.10 1.64 7.94 -0.44 -4.74 117.00 120.99 1sxj n LEU 82 Ca -0.00 -0.06 -0.11 0.00 -1.11 0.00 0.00 56.01 54.74 1sxj n LEU 82 Cb 0.27 -0.71 -0.13 0.00 0.53 0.00 0.00 43.42 43.38 1sxj n LEU 82 CO 0.26 0.79 -1.13 -1.22 -1.11 0.00 0.00 177.39 174.98 1sxj n TYR 83 N -3.23 0.00 -0.34 1.96 4.02 0.17 -3.47 117.16 116.28 1sxj n TYR 83 Ca -0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 1sxj n TYR 83 Cb 0.88 -0.88 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1sxj n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sxj n GLY 84 N 2.04 -3.45 0.20 2.72 0.00 -0.67 -4.14 105.19 101.89 1sxj n GLY 84 Ca -0.32 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 44.76 1sxj n GLY 84 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sxj n PRO 85 N -0.71 0.01 0.00 1.61 -0.02 -1.26 -2.31 135.00 132.32 1sxj n PRO 85 Ca 0.00 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1sxj n PRO 85 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1sxj n PRO 85 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sxj n ASP 86 N -1.79 0.00 0.00 2.55 8.00 -1.26 -3.68 116.55 120.38 1sxj n ASP 86 Ca 0.04 0.73 0.13 0.00 0.71 0.00 0.00 54.79 56.40 1sxj n ASP 86 Cb 0.61 -0.48 0.71 0.00 -0.02 0.00 0.00 41.12 41.94 1sxj n ASP 86 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sxj n LEU 87 N -1.93 0.00 0.00 0.64 4.77 -0.98 -4.32 117.00 115.18 1sxj n LEU 87 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1sxj n LEU 87 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1sxj n LEU 87 CO 0.00 -0.02 0.13 0.80 -1.33 0.00 0.00 177.39 176.97 1sxj n MET 88 N -1.11 0.00 0.00 3.23 1.56 -1.03 -0.87 117.12 118.91 1sxj n MET 88 Ca 0.16 0.23 0.07 0.00 -0.27 0.00 0.00 57.70 57.89 1sxj n MET 88 Cb 0.13 -0.77 0.37 0.00 2.15 0.00 0.00 33.22 35.10 1sxj n MET 88 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1sxj n LYS 89 N -0.50 0.34 0.07 2.12 5.02 -1.26 -2.90 118.16 121.04 1sxj n LYS 89 Ca 0.00 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.12 1sxj n LYS 89 Cb 0.00 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 1sxj n LYS 89 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sxj h SER 90 N 0.00 0.57 -0.32 4.39 0.87 -1.47 -3.40 113.55 114.18 1sxj h SER 90 Ca 0.00 -0.91 -0.25 0.00 -1.23 0.00 0.00 61.79 59.39 1sxj h SER 90 Cb 0.04 -0.19 -0.26 0.00 -0.44 0.00 0.00 62.40 61.55 1sxj h SER 90 CO 0.00 1.65 -0.78 -2.11 -0.53 0.00 0.00 176.83 175.06 1sxj n ARG 91 N -3.83 2.09 -3.79 2.24 1.85 -0.05 -4.92 116.66 110.26 1sxj n ARG 91 Ca -0.21 -3.45 -0.15 0.00 -1.00 0.00 0.00 57.85 53.04 1sxj n ARG 91 Cb 0.98 -1.62 -0.16 0.00 -1.05 0.00 0.00 32.46 30.62 1sxj n ARG 91 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1sxj s ILE 92 N -3.33 -0.04 -0.06 8.89 1.09 -1.15 -2.17 121.20 124.43 1sxj s ILE 92 Ca 0.40 0.18 0.06 0.00 -1.10 0.00 0.00 60.65 60.19 1sxj s ILE 92 Cb 0.38 -0.07 -0.01 0.00 -1.06 0.00 0.00 42.46 41.70 1sxj s ILE 92 CO -0.04 0.08 -0.24 -0.22 -0.10 0.00 0.00 174.94 174.42 1sxj s LEU 93 N 0.89 2.04 -0.04 2.97 2.96 -0.38 -4.80 118.68 122.31 1sxj s LEU 93 Ca -0.07 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1sxj s LEU 93 Cb -0.11 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.28 1sxj s LEU 93 CO -0.02 0.22 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.43 1sxj s GLU 94 N -0.06 1.14 -0.06 1.98 -6.30 -1.26 -0.57 118.70 113.57 1sxj s GLU 94 Ca -0.06 -0.29 0.01 0.00 -2.50 0.00 0.00 54.97 52.13 1sxj s GLU 94 Cb -0.14 -1.03 0.02 0.00 0.00 0.00 0.00 34.13 32.98 1sxj s GLU 94 CO 0.04 0.05 -0.06 -0.51 0.02 0.00 0.00 175.26 174.79 1sxj s LEU 95 N 0.49 1.32 0.00 2.70 1.02 -0.78 -5.00 118.68 118.42 1sxj s LEU 95 Ca -0.08 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 53.88 1sxj s LEU 95 Cb -0.12 -0.60 -0.00 0.00 0.02 0.00 0.00 46.19 45.49 1sxj s LEU 95 CO 0.01 -0.05 0.02 -0.46 0.02 0.00 0.00 176.35 175.89 1sxj n ASN 96 N 4.21 2.17 -0.12 2.29 6.94 -1.26 -2.29 115.26 127.19 1sxj n ASN 96 Ca -0.21 -2.08 0.27 0.00 -0.02 0.00 0.00 54.58 52.55 1sxj n ASN 96 Cb 0.51 0.28 0.71 0.00 -2.36 0.00 0.00 39.78 38.92 1sxj n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sxj h ALA 97 N 1.19 2.68 0.23 -2.53 0.00 -1.82 -1.89 119.26 117.12 1sxj h ALA 97 Ca -0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1sxj h ALA 97 Cb 0.61 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sxj h ALA 97 CO 0.31 -1.08 -0.11 0.66 0.00 0.00 0.00 179.25 179.03 1sxj h SER 98 N 0.00 -0.26 -3.65 0.00 4.64 -1.96 -3.46 113.55 108.87 1sxj h SER 98 Ca 0.38 -0.13 -0.55 0.00 -0.47 0.00 0.00 61.79 61.02 1sxj h SER 98 Cb 1.71 0.07 0.18 0.00 -0.31 0.00 0.00 62.40 64.05 1sxj h SER 98 CO -0.00 0.25 -0.05 0.47 -0.87 0.00 0.00 176.83 176.62 1sxj n ASP 99 N -4.97 -0.07 -4.69 4.97 10.43 -0.71 -4.93 116.55 116.57 1sxj n ASP 99 Ca -0.06 0.61 -0.42 0.00 2.57 0.00 0.00 54.79 57.50 1sxj n ASP 99 Cb 0.19 -1.35 -0.03 0.00 1.84 0.00 0.00 41.12 41.76 1sxj n ASP 99 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1sxj s GLU 100 N -3.29 4.42 -0.46 -1.24 2.12 -1.26 -4.70 118.70 114.29 1sxj s GLU 100 Ca 0.70 1.24 0.08 0.00 0.36 0.00 0.00 54.97 57.35 1sxj s GLU 100 Cb -0.33 -3.52 0.29 0.00 0.26 0.00 0.00 34.13 30.83 1sxj s GLU 100 CO 0.54 -0.21 0.68 0.54 -0.54 0.00 0.00 175.26 176.27 1sxj n ARG 101 N 4.66 1.51 -2.63 4.30 1.74 -1.26 -4.89 116.66 120.08 1sxj n ARG 101 Ca 0.06 -3.79 -0.23 0.00 -0.77 0.00 0.00 57.85 53.12 1sxj n ARG 101 Cb 0.50 -1.70 0.09 0.00 -1.02 0.00 0.00 32.46 30.32 1sxj n ARG 101 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sxj s GLY 102 N -2.11 1.77 0.35 -0.13 0.00 -1.26 -4.75 107.32 101.19 1sxj s GLY 102 Ca 0.39 -1.70 0.11 0.00 0.00 0.00 0.00 44.72 43.53 1sxj s GLY 102 CO -0.09 -1.19 1.81 -2.22 0.00 0.00 0.00 173.10 171.42 1sxj h ILE 103 N -0.37 0.69 -0.61 0.90 2.04 -1.92 0.14 117.51 118.38 1sxj h ILE 103 Ca -0.37 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1sxj h ILE 103 Cb 1.27 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1sxj h ILE 103 CO 0.42 0.11 0.03 -1.28 0.00 0.00 0.00 178.15 177.43 1sxj h SER 104 N 0.62 1.01 0.02 1.72 0.87 -1.98 -2.29 113.55 113.52 1sxj h SER 104 Ca 0.54 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1sxj h SER 104 Cb 1.03 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1sxj h SER 104 CO -0.29 1.05 -0.01 0.40 -0.53 0.00 0.00 176.83 177.44 1sxj h ILE 105 N 0.96 1.44 -0.98 2.23 1.08 -1.15 -2.62 117.51 118.47 1sxj h ILE 105 Ca 0.18 -1.48 0.09 0.00 -0.39 0.00 0.00 64.86 63.26 1sxj h ILE 105 Cb 0.52 2.42 -0.08 0.00 -3.07 0.00 0.00 36.82 36.61 1sxj h ILE 105 CO 0.02 0.38 0.62 0.58 -0.69 0.00 0.00 178.15 179.06 1sxj h VAL 106 N -0.68 1.00 0.00 1.67 2.07 -1.14 0.05 116.25 119.22 1sxj h VAL 106 Ca -0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1sxj h VAL 106 Cb 0.64 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1sxj h VAL 106 CO 0.00 0.19 0.00 0.54 0.02 0.00 0.00 177.57 178.33 1sxj n ARG 107 N -4.58 0.07 0.00 1.57 1.74 -0.86 -2.28 116.66 112.32 1sxj n ARG 107 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1sxj n ARG 107 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1sxj n ARG 107 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1sxj n GLU 108 N -1.46 0.00 -0.24 5.56 4.07 -0.10 -4.55 120.64 123.92 1sxj n GLU 108 Ca 0.08 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.19 1sxj n GLU 108 Cb 0.32 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.78 1sxj n GLU 108 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1sxj h LYS 109 N 0.00 0.00 0.23 5.31 3.64 -1.49 0.54 116.57 124.80 1sxj h LYS 109 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1sxj h LYS 109 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sxj h LYS 109 CO 0.00 0.00 -0.11 0.28 -2.27 0.00 0.00 179.45 177.35 1sxj h VAL 110 N 0.00 0.84 -0.44 2.00 2.07 -1.62 -2.01 116.25 117.09 1sxj h VAL 110 Ca 0.33 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1sxj h VAL 110 Cb 0.51 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1sxj h VAL 110 CO -0.71 0.10 0.29 0.50 0.02 0.00 0.00 177.57 177.77 1sxj h LYS 111 N -0.53 0.57 0.29 1.57 3.64 -0.96 -1.13 116.57 120.02 1sxj h LYS 111 Ca -0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1sxj h LYS 111 Cb 0.39 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1sxj h LYS 111 CO 0.05 0.38 -0.14 -0.91 -2.27 0.00 0.00 179.45 176.56 1sxj h ASN 112 N 0.59 -0.33 0.19 4.20 2.35 0.21 -0.42 115.58 122.36 1sxj h ASN 112 Ca 0.16 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1sxj h ASN 112 Cb -0.05 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1sxj h ASN 112 CO -0.04 0.05 -0.16 0.15 -1.65 0.00 0.00 177.43 175.78 1sxj h PHE 113 N -0.75 0.00 0.38 1.19 3.57 -1.25 0.13 116.94 120.21 1sxj h PHE 113 Ca -0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1sxj h PHE 113 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1sxj h PHE 113 CO 0.03 0.16 -0.18 0.00 -2.23 0.00 0.00 178.31 176.09 1sxj h ALA 114 N 1.84 -0.52 -0.07 2.41 0.00 -1.12 -3.17 119.26 118.63 1sxj h ALA 114 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1sxj h ALA 114 Cb 0.30 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sxj h ALA 114 CO 0.02 -0.58 -0.05 -0.09 0.00 0.00 0.00 179.25 178.55 1sxj h ARG 115 N -0.93 0.10 -6.68 0.00 2.43 -0.85 -3.42 114.38 105.04 1sxj h ARG 115 Ca -0.05 -0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.53 1sxj h ARG 115 Cb 0.54 -0.02 0.17 0.00 -0.42 0.00 0.00 29.97 30.25 1sxj h ARG 115 CO 0.09 0.17 -0.20 -0.11 -1.51 0.00 0.00 179.97 178.41 1sxj n LEU 116 N -4.42 1.93 -4.80 3.80 7.94 0.42 -4.95 117.00 116.92 1sxj n LEU 116 Ca -0.02 0.72 -0.35 0.00 -1.11 0.00 0.00 56.01 55.25 1sxj n LEU 116 Cb 0.17 -1.27 -0.06 0.00 0.53 0.00 0.00 43.42 42.79 1sxj n LEU 116 CO 0.36 -2.62 0.66 -0.89 -1.11 0.00 0.00 177.39 173.78 1sxj s THR 117 N -1.70 4.24 0.84 1.96 2.01 -1.26 -4.96 115.64 116.77 1sxj s THR 117 Ca 0.71 1.61 -0.13 0.00 0.31 0.00 0.00 61.69 64.19 1sxj s THR 117 Cb -0.41 -3.78 0.07 0.00 0.01 0.00 0.00 72.50 68.39 1sxj s THR 117 CO 0.52 -0.09 0.96 0.52 -0.69 0.00 0.00 174.62 175.84 1sxj n VAL 118 N -0.09 1.29 -3.21 3.82 0.31 -1.26 -4.99 118.33 114.19 1sxj n VAL 118 Ca 0.05 -0.19 -0.30 0.00 -0.01 0.00 0.00 64.34 63.88 1sxj n VAL 118 Cb 0.52 -1.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.41 1sxj n VAL 118 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sxj s SER 119 N -2.10 6.54 -0.12 4.52 1.04 -1.26 -5.05 113.70 117.26 1sxj s SER 119 Ca 0.68 0.92 -0.29 0.00 0.48 0.00 0.00 55.95 57.74 1sxj s SER 119 Cb -0.27 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1sxj s SER 119 CO 0.56 -0.22 1.12 -0.54 0.98 0.00 0.00 173.24 175.14 1sxj s LYS 120 N -3.40 4.33 0.68 4.02 1.02 -1.26 -5.03 119.74 120.10 1sxj s LYS 120 Ca 0.48 1.53 -0.14 0.00 0.02 0.00 0.00 55.97 57.85 1sxj s LYS 120 Cb -0.11 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1sxj s LYS 120 CO 0.27 -0.49 1.12 -2.14 -0.92 0.00 0.00 175.35 173.19 1sxj s PRO 121 N 2.59 2.64 0.68 -1.68 0.02 -1.26 -5.05 135.00 132.94 1sxj s PRO 121 Ca 0.51 1.41 -0.06 0.00 0.02 0.00 0.00 61.00 62.87 1sxj s PRO 121 Cb -0.20 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.44 1sxj s PRO 121 CO 0.16 -1.38 0.99 -1.54 -0.33 0.00 0.00 177.00 174.90 1sxj s SER 122 N -2.61 5.01 0.26 2.53 1.04 -1.26 -4.94 113.70 113.72 1sxj s SER 122 Ca 0.67 0.53 -0.05 0.00 0.48 0.00 0.00 55.95 57.58 1sxj s SER 122 Cb -0.21 -1.26 0.31 0.00 0.10 0.00 0.00 66.02 64.96 1sxj s SER 122 CO 0.44 -1.47 1.91 0.11 0.98 0.00 0.00 173.24 175.21 1sxj h LYS 123 N -0.50 1.21 -0.41 4.02 1.57 -2.00 -2.74 116.57 117.72 1sxj h LYS 123 Ca -0.45 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.12 1sxj h LYS 123 Cb 1.30 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1sxj h LYS 123 CO 0.60 0.84 -0.18 1.25 -0.57 0.00 0.00 179.45 181.39 1sxj h HIS 124 N 1.23 0.96 -0.70 -1.35 2.76 -2.00 -3.11 115.15 112.95 1sxj h HIS 124 Ca 0.32 -0.24 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 1sxj h HIS 124 Cb -0.07 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.62 1sxj h HIS 124 CO 0.00 1.00 0.40 -0.44 -1.30 0.00 0.00 177.93 177.60 1sxj h ASP 125 N 0.65 0.61 0.08 3.26 3.32 -1.87 0.26 116.42 122.73 1sxj h ASP 125 Ca 0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1sxj h ASP 125 Cb 0.74 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1sxj h ASP 125 CO 0.06 0.40 0.00 -0.11 -1.72 0.00 0.00 179.24 177.87 1sxj n LEU 126 N -4.75 0.25 -0.02 1.55 7.94 -1.05 -1.79 117.00 119.13 1sxj n LEU 126 Ca 0.09 0.61 0.07 0.00 -1.11 0.00 0.00 56.01 55.67 1sxj n LEU 126 Cb 0.16 -0.63 -0.15 0.00 0.53 0.00 0.00 43.42 43.33 1sxj n LEU 126 CO 0.30 -0.66 -0.79 -0.62 -1.11 0.00 0.00 177.39 174.50 1sxj n GLU 127 N -1.83 0.67 -0.01 1.96 1.02 0.87 -4.77 120.64 118.54 1sxj n GLU 127 Ca -0.00 -0.15 -0.01 0.00 -0.02 0.00 0.00 57.16 56.98 1sxj n GLU 127 Cb 0.04 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 29.98 1sxj n GLU 127 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1sxj n ASN 128 N -2.26 4.28 -4.33 1.62 4.05 -0.90 -5.07 115.26 112.65 1sxj n ASN 128 Ca -0.08 -0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.68 1sxj n ASN 128 Cb 0.61 0.34 -0.13 0.00 1.23 0.00 0.00 39.78 41.82 1sxj n ASN 128 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1sxj s TYR 129 N -2.05 2.06 -0.29 1.20 1.51 -0.74 -5.09 117.35 113.96 1sxj s TYR 129 Ca -0.02 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 1sxj s TYR 129 Cb 0.01 -1.15 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1sxj s TYR 129 CO 0.07 0.23 1.39 -1.25 -1.11 0.00 0.00 175.55 174.88 1sxj s PRO 130 N -1.77 3.86 -0.97 -1.71 0.04 -1.23 -4.50 135.00 128.73 1sxj s PRO 130 Ca 0.10 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.38 1sxj s PRO 130 Cb -0.10 -3.93 0.25 0.00 0.04 0.00 0.00 34.50 30.76 1sxj s PRO 130 CO 0.04 -1.19 0.93 0.00 0.04 0.00 0.00 177.00 176.81 1sxj n PRO 132 N 3.21 0.77 -0.55 0.00 -0.02 -1.26 -4.80 135.00 132.34 1sxj n PRO 132 Ca 0.19 0.30 -0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1sxj n PRO 132 Cb 0.42 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 1sxj n PRO 132 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sxj n PRO 133 N -0.74 1.10 -3.58 0.52 -0.02 -1.26 -4.79 135.00 126.23 1sxj n PRO 133 Ca 0.13 -0.31 -0.13 0.00 -2.02 0.00 0.00 63.50 61.17 1sxj n PRO 133 Cb 0.47 -1.42 -0.05 0.00 -0.02 0.00 0.00 33.50 32.48 1sxj n PRO 133 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1sxj s TYR 134 N 0.82 -0.40 0.53 6.00 -0.85 -1.26 -4.48 117.35 117.72 1sxj s TYR 134 Ca 0.21 0.40 0.09 0.00 -0.52 0.00 0.00 57.07 57.24 1sxj s TYR 134 Cb 0.10 0.33 0.06 0.00 0.38 0.00 0.00 41.96 42.83 1sxj s TYR 134 CO 0.00 -0.65 0.68 -1.59 -1.52 0.00 0.00 175.55 172.47 1sxj s LYS 135 N -2.59 2.43 -0.03 -3.49 -2.85 0.15 -4.96 119.74 108.40 1sxj s LYS 135 Ca -0.04 -1.59 0.01 0.00 -1.00 0.00 0.00 55.97 53.35 1sxj s LYS 135 Cb -0.01 -2.60 0.02 0.00 -2.06 0.00 0.00 37.83 33.18 1sxj s LYS 135 CO -0.03 -0.66 -0.03 0.42 0.10 0.00 0.00 175.35 175.15 1sxj s ILE 136 N -2.60 0.35 -0.24 3.79 1.01 -0.92 -1.68 121.20 120.92 1sxj s ILE 136 Ca 0.57 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 61.12 1sxj s ILE 136 Cb -0.06 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1sxj s ILE 136 CO 0.35 0.17 -0.03 -0.63 0.00 0.00 0.00 174.94 174.80 1sxj s ILE 137 N 0.72 3.33 -0.26 2.92 1.09 -0.66 -1.25 121.20 127.09 1sxj s ILE 137 Ca -0.08 -0.66 -0.03 0.00 -1.10 0.00 0.00 60.65 58.77 1sxj s ILE 137 Cb -0.11 -2.60 0.02 0.00 -1.06 0.00 0.00 42.46 38.71 1sxj s ILE 137 CO -0.01 0.31 -0.02 0.27 -0.10 0.00 0.00 174.94 175.39 1sxj s ILE 138 N 1.44 3.21 -0.83 2.92 -4.36 0.27 -0.56 121.20 123.29 1sxj s ILE 138 Ca 0.04 -0.87 -0.07 0.00 -0.26 0.00 0.00 60.65 59.49 1sxj s ILE 138 Cb -0.15 -2.61 0.21 0.00 1.25 0.00 0.00 42.46 41.16 1sxj s ILE 138 CO -0.03 0.20 0.74 -0.76 0.24 0.00 0.00 174.94 175.33 1sxj s LEU 139 N 1.39 6.00 0.69 0.37 1.43 0.70 -1.86 118.68 127.40 1sxj s LEU 139 Ca 0.02 -3.12 -0.11 0.00 -1.03 0.00 0.00 54.13 49.88 1sxj s LEU 139 Cb -0.16 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1sxj s LEU 139 CO -0.03 -0.38 1.06 -0.62 0.23 0.00 0.00 176.35 176.61 1sxj s ASP 140 N 1.09 5.40 -1.14 2.29 3.68 -0.97 -2.55 116.67 124.46 1sxj s ASP 140 Ca 0.22 1.62 0.00 0.00 2.13 0.00 0.00 52.55 56.52 1sxj s ASP 140 Cb -0.12 -2.50 0.00 0.00 -1.45 0.00 0.00 42.92 38.85 1sxj s ASP 140 CO -0.08 -1.43 0.00 -0.62 0.13 0.00 0.00 175.17 173.17 1sxj n GLU 141 N -3.10 -2.11 0.19 4.34 -0.58 -1.07 -4.19 120.64 114.12 1sxj n GLU 141 Ca 0.08 0.65 0.12 0.00 -0.42 0.00 0.00 57.16 57.58 1sxj n GLU 141 Cb 0.53 -5.23 0.66 0.00 -0.57 0.00 0.00 31.44 26.84 1sxj n GLU 141 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sxj h ALA 142 N 0.98 1.02 -0.68 0.62 0.00 -0.92 -1.85 119.26 118.45 1sxj h ALA 142 Ca -0.31 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.74 1sxj h ALA 142 Cb 1.20 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1sxj h ALA 142 CO 0.37 -0.02 -0.10 0.22 0.00 0.00 0.00 179.25 179.72 1sxj h ASP 143 N 0.00 -0.49 -0.68 0.00 1.82 -1.84 -2.20 116.42 113.03 1sxj h ASP 143 Ca 0.00 0.19 -0.43 0.00 -0.39 0.00 0.00 57.03 56.40 1sxj h ASP 143 Cb 0.07 0.37 -0.18 0.00 0.68 0.00 0.00 39.33 40.27 1sxj h ASP 143 CO 0.00 -0.19 0.53 -1.54 -1.61 0.00 0.00 179.24 176.42 1sxj n SER 144 N -5.39 6.76 -4.75 2.28 3.41 -0.69 -4.80 113.62 110.44 1sxj n SER 144 Ca 0.10 -3.25 -0.36 0.00 -0.26 0.00 0.00 58.87 55.10 1sxj n SER 144 Cb 0.38 -1.06 -0.08 0.00 -0.26 0.00 0.00 64.21 63.18 1sxj n SER 144 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1sxj s MET 145 N -2.28 3.52 0.21 4.33 -1.94 -0.83 -5.05 119.30 117.26 1sxj s MET 145 Ca 0.42 -0.27 -0.32 0.00 -1.71 0.00 0.00 55.69 53.81 1sxj s MET 145 Cb 0.32 -3.11 -0.12 0.00 2.01 0.00 0.00 34.83 33.93 1sxj s MET 145 CO -0.04 0.58 1.70 0.25 -0.01 0.00 0.00 175.02 177.51 1sxj n THR 146 N 2.57 0.12 -0.39 2.05 -2.24 -1.26 -4.80 114.28 110.32 1sxj n THR 146 Ca -0.18 -0.03 0.32 0.00 -2.27 0.00 0.00 64.05 61.89 1sxj n THR 146 Cb 0.54 -1.95 0.63 0.00 -2.10 0.00 0.00 70.33 67.45 1sxj n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sxj h ALA 147 N 6.48 2.72 0.15 6.98 0.00 -1.97 0.16 119.26 133.78 1sxj h ALA 147 Ca -0.44 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1sxj h ALA 147 Cb 1.21 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1sxj h ALA 147 CO 0.93 -1.19 -0.22 -0.44 0.00 0.00 0.00 179.25 178.33 1sxj h ASP 148 N 0.18 -0.61 -0.85 0.00 3.32 -2.00 -1.00 116.42 115.45 1sxj h ASP 148 Ca 0.69 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.79 1sxj h ASP 148 Cb 2.19 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 41.93 1sxj h ASP 148 CO -0.25 -0.31 0.47 0.00 -1.72 0.00 0.00 179.24 177.42 1sxj h ALA 149 N 0.32 1.08 -0.56 3.45 0.00 -1.05 -2.02 119.26 120.48 1sxj h ALA 149 Ca 0.02 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sxj h ALA 149 Cb 0.44 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1sxj h ALA 149 CO -0.10 0.59 0.26 1.96 0.00 0.00 0.00 179.25 181.96 1sxj h GLN 150 N 1.18 0.48 -0.77 0.00 4.20 -0.97 -1.26 115.11 117.96 1sxj h GLN 150 Ca 0.30 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.02 1sxj h GLN 150 Cb 0.02 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1sxj h GLN 150 CO -0.05 0.32 0.48 0.77 -0.67 0.00 0.00 178.83 179.68 1sxj h SER 151 N 0.49 0.79 0.40 1.46 0.02 -0.53 0.69 113.55 116.87 1sxj h SER 151 Ca 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1sxj h SER 151 Cb 0.22 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1sxj h SER 151 CO -0.21 0.53 -0.05 0.00 -1.14 0.00 0.00 176.83 175.96 1sxj h ALA 152 N 1.34 1.15 -0.31 3.77 0.00 -0.62 -2.40 119.26 122.19 1sxj h ALA 152 Ca 0.32 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1sxj h ALA 152 Cb 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sxj h ALA 152 CO -0.13 0.07 -0.33 -0.07 0.00 0.00 0.00 179.25 178.79 1sxj h LEU 153 N 0.00 0.82 0.00 0.00 3.38 0.23 -3.38 115.31 116.37 1sxj h LEU 153 Ca -0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1sxj h LEU 153 Cb 0.26 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sxj h LEU 153 CO 0.01 1.13 0.00 0.54 0.09 0.00 0.00 178.44 180.21 1sxj n ARG 154 N -4.20 0.00 0.23 1.13 1.74 -0.90 -0.67 116.66 113.98 1sxj n ARG 154 Ca -0.04 0.55 0.09 0.00 -0.77 0.00 0.00 57.85 57.69 1sxj n ARG 154 Cb 0.50 -0.97 0.64 0.00 -1.02 0.00 0.00 32.46 31.62 1sxj n ARG 154 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sxj h ARG 155 N 0.00 0.01 0.61 5.56 2.47 -1.78 -2.37 114.38 118.88 1sxj h ARG 155 Ca 0.00 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1sxj h ARG 155 Cb 0.00 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1sxj h ARG 155 CO 0.00 0.01 -0.30 1.15 0.56 0.00 0.00 179.97 181.39 1sxj h THR 156 N 0.01 0.38 -0.13 2.04 2.02 -1.55 -2.08 112.91 113.60 1sxj h THR 156 Ca 0.03 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1sxj h THR 156 Cb 0.10 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1sxj h THR 156 CO -0.00 0.01 0.09 1.15 0.37 0.00 0.00 175.52 177.14 1sxj n MET 157 N -5.43 1.25 0.00 6.66 0.00 0.15 -3.15 117.12 116.60 1sxj n MET 157 Ca -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 57.70 57.12 1sxj n MET 157 Cb 0.34 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.36 1sxj n MET 157 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1sxj n GLU 158 N 1.25 0.00 0.00 3.17 2.13 -1.08 -4.82 120.64 121.30 1sxj n GLU 158 Ca 0.10 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.04 1sxj n GLU 158 Cb 0.54 -0.40 0.27 0.00 0.27 0.00 0.00 31.44 32.11 1sxj n GLU 158 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1sxj n THR 159 N -1.28 0.00 -1.41 6.31 -2.24 -0.81 -3.95 114.28 110.91 1sxj n THR 159 Ca 0.00 -0.04 0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1sxj n THR 159 Cb 0.00 0.32 0.20 0.00 -2.10 0.00 0.00 70.33 68.75 1sxj n THR 159 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1sxj n TYR 160 N -1.26 0.29 0.24 4.78 0.53 -1.19 -4.64 117.16 115.91 1sxj n TYR 160 Ca 0.07 -1.36 0.11 0.00 -1.02 0.00 0.00 57.90 55.70 1sxj n TYR 160 Cb 0.34 -0.28 0.58 0.00 -1.03 0.00 0.00 39.34 38.95 1sxj n TYR 160 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1sxj h SER 161 N 0.82 0.00 0.23 7.72 0.02 -1.69 0.29 113.55 120.95 1sxj h SER 161 Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1sxj h SER 161 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1sxj h SER 161 CO 0.10 0.18 -0.02 1.23 -1.14 0.00 0.00 176.83 177.17 1sxj h GLY 162 N 1.55 0.00 0.00 -3.77 0.00 -1.90 -3.32 103.07 95.64 1sxj h GLY 162 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sxj h GLY 162 CO 0.02 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.89 1sxj n VAL 163 N -3.32 0.00 -4.51 4.60 0.24 -1.09 -4.81 118.33 109.44 1sxj n VAL 163 Ca -0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.05 1sxj n VAL 163 Cb 0.14 0.79 -0.14 0.00 -1.47 0.00 0.00 33.84 33.16 1sxj n VAL 163 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1sxj s THR 164 N 0.00 1.40 -0.08 3.34 2.01 0.10 0.31 115.64 122.72 1sxj s THR 164 Ca 0.00 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 1sxj s THR 164 Cb 0.00 -1.23 0.04 0.00 0.01 0.00 0.00 72.50 71.32 1sxj s THR 164 CO 0.00 0.12 0.16 -0.13 -0.69 0.00 0.00 174.62 174.08 1sxj s ARG 165 N -1.12 0.09 0.39 4.92 0.52 -0.67 -3.95 118.95 119.12 1sxj s ARG 165 Ca 0.05 0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 55.69 1sxj s ARG 165 Cb -0.08 -0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.17 1sxj s ARG 165 CO 0.01 -0.20 0.62 -0.06 0.02 0.00 0.00 175.30 175.69 1sxj s PHE 166 N 1.48 3.50 -0.09 -0.53 0.40 -1.26 -1.65 117.98 119.83 1sxj s PHE 166 Ca -0.06 0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 56.70 1sxj s PHE 166 Cb -0.12 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.44 1sxj s PHE 166 CO -0.06 -0.01 0.08 0.00 0.70 0.00 0.00 175.22 175.93 1sxj s LEU 168 N 2.18 2.98 0.08 0.00 1.43 -0.30 -0.21 118.68 124.83 1sxj s LEU 168 Ca 0.04 -0.24 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1sxj s LEU 168 Cb -0.13 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1sxj s LEU 168 CO -0.05 0.16 -0.21 -0.63 0.23 0.00 0.00 176.35 175.84 1sxj s ILE 169 N 0.42 2.57 0.21 -0.59 1.09 -1.06 -0.10 121.20 123.74 1sxj s ILE 169 Ca -0.07 -1.41 -0.22 0.00 -1.10 0.00 0.00 60.65 57.85 1sxj s ILE 169 Cb -0.15 -2.10 0.07 0.00 -1.06 0.00 0.00 42.46 39.22 1sxj s ILE 169 CO 0.04 0.24 0.98 0.00 -0.10 0.00 0.00 174.94 176.10 1sxj n ASN 171 N -1.06 1.70 -3.88 0.00 4.13 -1.26 -1.96 115.26 112.93 1sxj n ASN 171 Ca -0.04 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 55.97 1sxj n ASN 171 Cb 0.60 1.44 -0.17 0.00 -1.54 0.00 0.00 39.78 40.11 1sxj n ASN 171 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1sxj s TYR 172 N -2.82 1.14 0.35 3.10 1.51 -1.26 -4.05 117.35 115.32 1sxj s TYR 172 Ca -0.06 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.58 1sxj s TYR 172 Cb 0.08 -1.01 0.66 0.00 -0.11 0.00 0.00 41.96 41.58 1sxj s TYR 172 CO 0.59 -0.38 1.91 -0.39 -1.11 0.00 0.00 175.55 176.16 1sxj h VAL 173 N 6.19 1.18 -0.98 0.71 -1.51 -1.95 -2.59 116.25 117.30 1sxj h VAL 173 Ca -0.28 -0.67 0.24 0.00 -1.23 0.00 0.00 66.70 64.76 1sxj h VAL 173 Cb 1.14 0.86 -0.08 0.00 -2.13 0.00 0.00 31.29 31.08 1sxj h VAL 173 CO 0.38 0.24 0.64 0.74 -1.23 0.00 0.00 177.57 178.34 1sxj h THR 174 N 0.51 0.60 0.00 7.19 2.02 -2.02 -0.17 112.91 121.04 1sxj h THR 174 Ca 0.12 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1sxj h THR 174 Cb 0.25 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1sxj h THR 174 CO 0.00 0.07 0.00 0.54 0.37 0.00 0.00 175.52 176.50 1sxj n ARG 175 N -4.55 0.09 -3.76 6.66 5.12 -0.97 -4.68 116.66 114.57 1sxj n ARG 175 Ca 0.22 0.10 -0.37 0.00 -1.93 0.00 0.00 57.85 55.87 1sxj n ARG 175 Cb 0.80 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.47 1sxj n ARG 175 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1sxj s ILE 176 N -2.88 4.19 -0.03 0.55 1.01 -0.08 -4.90 121.20 119.07 1sxj s ILE 176 Ca 0.14 -0.28 -0.40 0.00 0.00 0.00 0.00 60.65 60.12 1sxj s ILE 176 Cb 0.15 -2.99 -0.19 0.00 0.01 0.00 0.00 42.46 39.44 1sxj s ILE 176 CO 0.40 0.30 1.24 2.30 0.00 0.00 0.00 174.94 179.18 1sxj n ILE 177 N 4.91 0.02 -0.34 2.92 -5.35 -1.26 -4.61 119.36 115.64 1sxj n ILE 177 Ca -0.16 -0.00 0.16 0.00 -0.27 0.00 0.00 62.75 62.47 1sxj n ILE 177 Cb 0.51 -0.37 0.31 0.00 -1.74 0.00 0.00 39.64 38.35 1sxj n ILE 177 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1sxj n ASP 178 N 2.24 -0.09 -0.16 7.28 10.43 -1.26 -0.94 116.55 134.05 1sxj n ASP 178 Ca 0.21 1.67 -0.03 0.00 2.57 0.00 0.00 54.79 59.21 1sxj n ASP 178 Cb 0.11 -0.62 0.04 0.00 1.84 0.00 0.00 41.12 42.48 1sxj n ASP 178 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 1sxj h PRO 179 N 0.00 -0.02 -0.47 -0.24 0.11 -2.00 -1.18 132.00 128.21 1sxj h PRO 179 Ca 0.61 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.62 1sxj h PRO 179 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1sxj h PRO 179 CO -0.92 -0.01 -0.11 -0.07 -0.21 0.00 0.00 178.00 176.68 1sxj h LEU 180 N -0.02 0.90 -2.33 2.35 3.38 -1.38 -2.08 115.31 116.14 1sxj h LEU 180 Ca 0.24 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1sxj h LEU 180 Cb 0.39 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1sxj h LEU 180 CO -0.53 1.05 0.18 0.00 0.09 0.00 0.00 178.44 179.23 1sxj h ALA 181 N 0.88 1.59 0.03 1.53 0.00 -0.98 -0.57 119.26 121.74 1sxj h ALA 181 Ca 0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1sxj h ALA 181 Cb 0.66 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1sxj h ALA 181 CO 0.05 -0.24 -0.22 1.03 0.00 0.00 0.00 179.25 179.86 1sxj h SER 182 N 0.00 0.14 -0.07 0.00 0.87 -0.57 -3.34 113.55 110.58 1sxj h SER 182 Ca 0.06 -0.93 -0.06 0.00 -1.23 0.00 0.00 61.79 59.63 1sxj h SER 182 Cb 0.42 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1sxj h SER 182 CO -0.00 1.06 -0.10 1.56 -0.53 0.00 0.00 176.83 178.81 1sxj h GLN 183 N -0.75 0.37 -6.54 2.24 4.20 -0.65 -3.44 115.11 110.53 1sxj h GLN 183 Ca -0.04 -0.09 -0.52 0.00 0.06 0.00 0.00 58.65 58.06 1sxj h GLN 183 Cb 1.12 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1sxj h GLN 183 CO 0.04 0.49 -0.05 0.00 -0.67 0.00 0.00 178.83 178.64 1sxj s SER 185 N -2.41 6.69 0.17 0.00 0.15 -0.24 -4.79 113.70 113.26 1sxj s SER 185 Ca 0.49 0.85 -0.30 0.00 0.70 0.00 0.00 55.95 57.70 1sxj s SER 185 Cb -0.11 -2.38 -0.08 0.00 -1.71 0.00 0.00 66.02 61.75 1sxj s SER 185 CO 0.21 -0.43 1.18 -0.54 1.20 0.00 0.00 173.24 174.86 1sxj s LYS 186 N 2.61 4.50 -0.36 5.44 3.01 -1.26 -1.82 119.74 131.86 1sxj s LYS 186 Ca 0.30 1.83 0.00 0.00 -1.01 0.00 0.00 55.97 57.10 1sxj s LYS 186 Cb -0.15 -3.26 0.11 0.00 -1.01 0.00 0.00 37.83 33.52 1sxj s LYS 186 CO 0.08 -0.09 0.15 -0.06 0.51 0.00 0.00 175.35 175.94 1sxj s PHE 187 N 0.08 1.86 -0.69 3.18 0.40 -0.62 -4.94 117.98 117.25 1sxj s PHE 187 Ca 0.53 -2.03 -0.25 0.00 -0.60 0.00 0.00 56.93 54.58 1sxj s PHE 187 Cb -0.32 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.46 1sxj s PHE 187 CO 0.35 -0.85 1.14 0.50 0.70 0.00 0.00 175.22 177.06 1sxj s ARG 188 N 1.13 3.18 -0.65 0.44 3.52 -1.26 -2.48 118.95 122.83 1sxj s ARG 188 Ca 0.13 -0.46 -0.27 0.00 -0.13 0.00 0.00 55.73 55.00 1sxj s ARG 188 Cb -0.20 -4.19 -0.00 0.00 -1.56 0.00 0.00 34.95 29.00 1sxj s ARG 188 CO -0.14 -1.97 1.65 -0.06 -0.81 0.00 0.00 175.30 173.97 1sxj s PHE 189 N 4.96 1.90 0.87 5.12 0.40 -0.19 -4.91 117.98 126.13 1sxj s PHE 189 Ca 0.30 0.50 -0.11 0.00 -0.60 0.00 0.00 56.93 57.02 1sxj s PHE 189 Cb -0.12 -4.28 0.12 0.00 0.51 0.00 0.00 43.02 39.25 1sxj s PHE 189 CO 0.14 -2.23 1.16 0.21 0.70 0.00 0.00 175.22 175.20 1sxj s LYS 190 N 6.52 1.30 0.94 0.44 2.20 -1.26 -4.05 119.74 125.82 1sxj s LYS 190 Ca 0.56 1.59 -0.16 0.00 -0.36 0.00 0.00 55.97 57.61 1sxj s LYS 190 Cb -0.11 -1.75 0.24 0.00 -1.51 0.00 0.00 37.83 34.70 1sxj s LYS 190 CO 0.19 -2.43 0.57 0.00 -0.36 0.00 0.00 175.35 173.32 1sxj n ALA 191 N -3.88 -3.30 -3.62 3.13 0.00 -1.26 -4.78 120.51 106.80 1sxj n ALA 191 Ca 0.12 -0.99 -0.39 0.00 0.00 0.00 0.00 53.44 52.18 1sxj n ALA 191 Cb 0.52 -0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1sxj n ALA 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sxj s LEU 192 N 0.00 5.58 0.29 0.00 1.43 -1.25 -4.83 118.68 119.90 1sxj s LEU 192 Ca 0.43 -2.05 -0.29 0.00 -1.03 0.00 0.00 54.13 51.19 1sxj s LEU 192 Cb -0.07 -1.96 -0.13 0.00 0.03 0.00 0.00 46.19 44.06 1sxj s LEU 192 CO 0.36 -0.62 1.21 -0.67 0.23 0.00 0.00 176.35 176.86 1sxj n ASP 193 N 4.68 2.14 0.23 2.29 -0.08 -1.26 -4.05 116.55 120.50 1sxj n ASP 193 Ca -0.04 1.18 0.16 0.00 -1.51 0.00 0.00 54.79 54.57 1sxj n ASP 193 Cb 0.41 -1.38 0.68 0.00 2.34 0.00 0.00 41.12 43.16 1sxj n ASP 193 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sxj h ALA 194 N 2.82 1.74 0.19 -1.67 0.00 -1.97 0.47 119.26 120.84 1sxj h ALA 194 Ca -0.43 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 1sxj h ALA 194 Cb 1.31 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.13 1sxj h ALA 194 CO 0.66 -0.59 -1.48 0.66 0.00 0.00 0.00 179.25 178.49 1sxj h SER 195 N 0.00 0.64 1.40 0.00 4.64 -2.01 -2.58 113.55 115.65 1sxj h SER 195 Ca 0.09 -0.75 -0.07 0.00 -0.47 0.00 0.00 61.79 60.58 1sxj h SER 195 Cb 1.09 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1sxj h SER 195 CO -0.00 1.60 -0.32 0.78 -0.87 0.00 0.00 176.83 178.02 1sxj h ASN 196 N 0.11 0.00 0.04 4.97 -0.26 -0.54 -3.32 115.58 116.58 1sxj h ASN 196 Ca -0.24 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.39 1sxj h ASN 196 Cb 2.09 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.35 1sxj h ASN 196 CO 0.23 0.32 -0.53 0.00 -1.06 0.00 0.00 177.43 176.39 1sxj h ALA 197 N 1.68 0.05 -0.78 -0.83 0.00 -0.85 -3.34 119.26 115.20 1sxj h ALA 197 Ca -0.00 -0.73 0.17 0.00 0.00 0.00 0.00 54.91 54.34 1sxj h ALA 197 Cb 1.11 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1sxj h ALA 197 CO 0.04 0.29 0.25 0.82 0.00 0.00 0.00 179.25 180.65 1sxj h ILE 198 N -0.81 0.53 0.08 0.00 2.04 -1.57 0.33 117.51 118.11 1sxj h ILE 198 Ca -0.12 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1sxj h ILE 198 Cb 1.25 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1sxj h ILE 198 CO -0.01 0.06 -0.46 0.44 0.00 0.00 0.00 178.15 178.19 1sxj h ASP 199 N 0.33 -1.37 0.76 1.72 3.32 -1.71 0.57 116.42 120.05 1sxj h ASP 199 Ca 0.45 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.65 1sxj h ASP 199 Cb 0.77 0.52 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1sxj h ASP 199 CO -0.50 -0.50 0.00 -0.09 -1.72 0.00 0.00 179.24 176.43 1sxj h ARG 200 N -0.66 0.00 0.07 3.56 9.65 -1.40 -2.86 114.38 122.73 1sxj h ARG 200 Ca 0.02 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.74 1sxj h ARG 200 Cb 0.70 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.28 1sxj h ARG 200 CO -0.28 0.00 -0.81 1.25 2.80 0.00 0.00 179.97 182.93 1sxj h LEU 201 N 0.00 0.22 -1.39 3.80 5.85 0.11 -3.27 115.31 120.62 1sxj h LEU 201 Ca 0.00 -0.86 0.06 0.00 0.84 0.00 0.00 57.88 57.91 1sxj h LEU 201 Cb 0.38 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1sxj h LEU 201 CO 0.00 1.35 0.46 0.03 -0.34 0.00 0.00 178.44 179.94 1sxj h ARG 202 N -0.66 0.73 0.00 1.25 3.08 0.15 0.30 114.38 119.24 1sxj h ARG 202 Ca -0.18 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1sxj h ARG 202 Cb 1.42 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1sxj h ARG 202 CO 0.01 0.49 0.00 0.35 -1.07 0.00 0.00 179.97 179.75 1sxj h PHE 203 N 0.76 0.00 0.11 3.04 3.57 -1.61 -1.34 116.94 121.47 1sxj h PHE 203 Ca 0.30 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.43 1sxj h PHE 203 Cb 0.21 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1sxj h PHE 203 CO -0.00 0.00 -2.02 -0.89 -2.23 0.00 0.00 178.31 173.17 1sxj n ILE 204 N -2.60 1.76 0.14 1.41 2.08 0.94 -3.44 119.36 119.66 1sxj n ILE 204 Ca 0.00 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1sxj n ILE 204 Cb 0.19 -1.69 0.30 0.00 -0.75 0.00 0.00 39.64 37.68 1sxj n ILE 204 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1sxj h SER 205 N 0.07 0.13 0.28 4.38 4.64 -0.89 -2.99 113.55 119.17 1sxj h SER 205 Ca -0.43 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1sxj h SER 205 Cb 2.03 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1sxj h SER 205 CO 0.08 0.50 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.07 1sxj h GLU 206 N 0.11 -0.36 0.00 4.77 5.08 -1.41 -2.27 114.58 120.50 1sxj h GLU 206 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1sxj h GLU 206 Cb 0.71 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1sxj h GLU 206 CO 0.05 -0.02 0.00 1.04 -1.00 0.00 0.00 179.01 179.08 1sxj n GLN 207 N -5.05 0.29 -0.01 2.33 1.13 -1.21 -2.02 117.38 112.84 1sxj n GLN 207 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1sxj n GLN 207 Cb 0.26 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.51 1sxj n GLN 207 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1sxj n GLU 208 N -0.60 0.46 -4.05 -1.09 4.07 -1.13 -5.04 120.64 113.25 1sxj n GLU 208 Ca 0.01 -0.67 -0.37 0.00 -0.06 0.00 0.00 57.16 56.08 1sxj n GLU 208 Cb 0.01 -0.58 -0.01 0.00 -0.06 0.00 0.00 31.44 30.80 1sxj n GLU 208 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1sxj n ASN 209 N -0.08 -2.28 -4.55 4.31 3.02 -0.86 -4.89 115.26 109.94 1sxj n ASN 209 Ca 0.00 -1.12 -0.40 0.00 -0.03 0.00 0.00 54.58 53.03 1sxj n ASN 209 Cb 0.47 -1.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.19 1sxj n ASN 209 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sxj s VAL 210 N -3.87 5.20 -0.91 2.41 1.01 -1.03 -4.98 120.40 118.23 1sxj s VAL 210 Ca 0.31 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 1sxj s VAL 210 Cb -0.17 -3.78 -0.16 0.00 0.00 0.00 0.00 36.38 32.27 1sxj s VAL 210 CO 0.84 -0.04 1.91 0.29 0.00 0.00 0.00 175.10 178.11 1sxj n LYS 211 N 5.32 1.21 -3.21 2.72 4.76 -1.26 -4.90 118.16 122.79 1sxj n LYS 211 Ca -0.10 -2.01 -0.36 0.00 -2.87 0.00 0.00 58.31 52.97 1sxj n LYS 211 Cb 0.50 -3.36 -0.06 0.00 -1.84 0.00 0.00 35.03 30.27 1sxj n LYS 211 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sxj n ASP 213 N 0.93 0.00 -0.06 0.00 2.03 -1.26 -4.82 116.55 113.36 1sxj n ASP 213 Ca -0.05 -0.95 -0.06 0.00 0.52 0.00 0.00 54.79 54.26 1sxj n ASP 213 Cb 0.51 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.86 1sxj n ASP 213 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1sxj h ASP 214 N 0.00 0.00 0.00 1.67 3.32 -1.98 -3.35 116.42 116.08 1sxj h ASP 214 Ca 0.00 -0.41 -0.12 0.00 0.02 0.00 0.00 57.03 56.52 1sxj h ASP 214 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1sxj h ASP 214 CO 0.00 0.72 -0.18 0.61 -1.72 0.00 0.00 179.24 178.67 1sxj n GLY 215 N 1.70 2.53 1.56 2.75 0.00 -1.26 -3.55 105.19 108.92 1sxj n GLY 215 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1sxj n GLY 215 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sxj n VAL 216 N 2.40 0.42 -0.31 1.61 0.31 -1.26 -2.98 118.33 118.52 1sxj n VAL 216 Ca 0.28 0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.88 1sxj n VAL 216 Cb 0.68 -0.98 0.28 0.00 -0.91 0.00 0.00 33.84 32.91 1sxj n VAL 216 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1sxj h LEU 217 N 0.00 -0.23 0.10 7.52 3.38 -1.73 -2.03 115.31 122.31 1sxj h LEU 217 Ca 0.00 0.23 -0.24 0.00 0.09 0.00 0.00 57.88 57.96 1sxj h LEU 217 Cb 0.12 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1sxj h LEU 217 CO 0.00 -0.25 -1.19 -0.33 0.09 0.00 0.00 178.44 176.76 1sxj h GLU 218 N 0.10 0.21 -0.68 1.13 5.08 -1.89 -3.33 114.58 115.20 1sxj h GLU 218 Ca 0.56 -0.36 0.20 0.00 -1.00 0.00 0.00 59.36 58.75 1sxj h GLU 218 Cb 1.13 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1sxj h GLU 218 CO -0.76 1.17 0.72 -0.09 -1.00 0.00 0.00 179.01 179.05 1sxj h ARG 219 N -0.44 0.00 -0.24 2.33 9.65 -1.66 0.49 114.38 124.50 1sxj h ARG 219 Ca -0.26 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.54 1sxj h ARG 219 Cb 1.64 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.21 1sxj h ARG 219 CO 0.04 0.00 -0.14 0.82 2.80 0.00 0.00 179.97 183.49 1sxj h ILE 220 N 0.00 1.31 -0.30 1.20 2.04 -1.50 -2.17 117.51 118.09 1sxj h ILE 220 Ca 0.32 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1sxj h ILE 220 Cb 1.76 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 1sxj h ILE 220 CO -0.00 0.39 0.01 -0.07 0.00 0.00 0.00 178.15 178.47 1sxj h LEU 221 N 0.24 0.51 -0.16 1.44 3.38 -0.21 -1.00 115.31 119.52 1sxj h LEU 221 Ca 0.05 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1sxj h LEU 221 Cb 0.66 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1sxj h LEU 221 CO 0.04 0.69 0.03 0.44 0.09 0.00 0.00 178.44 179.73 1sxj h ASP 222 N 0.32 0.02 -0.41 -0.43 3.32 -1.41 0.66 116.42 118.49 1sxj h ASP 222 Ca 0.09 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1sxj h ASP 222 Cb 0.42 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1sxj h ASP 222 CO 0.01 0.03 0.15 0.40 -1.72 0.00 0.00 179.24 178.12 1sxj h ILE 223 N 0.10 1.19 -2.28 0.35 2.04 -1.35 -3.05 117.51 114.52 1sxj h ILE 223 Ca 0.07 -0.65 -0.60 0.00 1.00 0.00 0.00 64.86 64.68 1sxj h ILE 223 Cb 0.06 0.68 -0.41 0.00 -0.74 0.00 0.00 36.82 36.40 1sxj h ILE 223 CO -0.09 0.24 -0.57 -0.24 0.00 0.00 0.00 178.15 177.50 1sxj n SER 224 N -4.33 4.63 -4.58 1.72 2.88 -0.39 -5.05 113.62 108.50 1sxj n SER 224 Ca 0.03 -3.69 -0.42 0.00 -1.33 0.00 0.00 58.87 53.46 1sxj n SER 224 Cb 0.18 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 63.02 1sxj n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxj n ALA 225 N -0.25 1.58 0.00 -1.46 0.00 0.22 -3.42 120.51 117.19 1sxj n ALA 225 Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1sxj n ALA 225 Cb 0.39 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 16.89 1sxj n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxj n GLY 226 N 5.87 2.72 3.56 0.00 0.00 -1.26 -4.89 105.19 111.19 1sxj n GLY 226 Ca 0.32 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1sxj n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxj s ASP 227 N 0.00 5.05 0.32 1.61 -1.08 -1.22 -3.75 116.67 117.60 1sxj s ASP 227 Ca 0.00 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.65 1sxj s ASP 227 Cb 0.00 -2.55 0.53 0.00 -1.46 0.00 0.00 42.92 39.43 1sxj s ASP 227 CO 0.00 -2.77 1.97 0.25 0.52 0.00 0.00 175.17 175.14 1sxj h LEU 228 N 18.01 0.82 -0.29 -1.34 6.46 -1.71 -1.18 115.31 136.09 1sxj h LEU 228 Ca 0.01 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1sxj h LEU 228 Cb 1.04 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 40.70 1sxj h LEU 228 CO 1.19 0.62 -0.17 -0.09 -0.62 0.00 0.00 178.44 179.38 1sxj h ARG 229 N 0.95 -0.13 -0.22 1.25 2.43 -1.87 0.34 114.38 117.13 1sxj h ARG 229 Ca 0.25 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1sxj h ARG 229 Cb -0.06 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1sxj h ARG 229 CO -0.05 -0.09 -0.26 -0.09 -1.51 0.00 0.00 179.97 177.97 1sxj h ARG 230 N -0.14 0.41 -0.10 0.20 2.43 -1.82 0.15 114.38 115.52 1sxj h ARG 230 Ca 0.15 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1sxj h ARG 230 Cb 0.37 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1sxj h ARG 230 CO -0.37 0.64 -0.13 0.78 -1.51 0.00 0.00 179.97 179.38 1sxj h GLY 231 N 1.02 0.16 1.40 2.80 0.00 0.22 -2.15 103.07 106.51 1sxj h GLY 231 Ca 0.05 -0.09 -0.24 0.00 0.00 0.00 0.00 47.33 47.05 1sxj h GLY 231 CO 0.05 0.08 -1.38 -2.22 0.00 0.00 0.00 176.54 173.08 1sxj h ILE 232 N 0.14 1.14 0.00 2.60 2.04 0.23 -3.20 117.51 120.46 1sxj h ILE 232 Ca 0.03 -2.89 -0.00 0.00 1.00 0.00 0.00 64.86 63.00 1sxj h ILE 232 Cb 0.32 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1sxj h ILE 232 CO 0.02 0.65 -0.01 0.74 0.00 0.00 0.00 178.15 179.55 1sxj h THR 233 N 0.00 0.02 0.11 -0.27 2.02 -0.12 -2.24 112.91 112.43 1sxj h THR 233 Ca -0.16 -0.45 -0.26 0.00 0.77 0.00 0.00 66.41 66.31 1sxj h THR 233 Cb 1.87 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1sxj h THR 233 CO 0.09 0.01 -1.32 -0.07 0.37 0.00 0.00 175.52 174.60 1sxj h LEU 234 N 0.00 0.38 -0.98 2.58 3.38 -1.50 -1.91 115.31 117.26 1sxj h LEU 234 Ca -0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1sxj h LEU 234 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1sxj h LEU 234 CO 0.00 1.58 0.00 -0.11 0.09 0.00 0.00 178.44 180.00 1sxj n LEU 235 N -3.97 0.38 -0.08 1.67 7.94 -1.00 -1.01 117.00 120.94 1sxj n LEU 235 Ca -0.24 0.68 -0.16 0.00 -1.11 0.00 0.00 56.01 55.18 1sxj n LEU 235 Cb 0.88 -0.73 -0.05 0.00 0.53 0.00 0.00 43.42 44.05 1sxj n LEU 235 CO 0.41 -0.81 -1.00 1.67 -1.11 0.00 0.00 177.39 176.56 1sxj n GLN 236 N -2.01 0.34 0.00 1.96 7.27 -0.88 -3.90 117.38 120.16 1sxj n GLN 236 Ca -0.01 0.15 0.09 0.00 0.07 0.00 0.00 57.00 57.30 1sxj n GLN 236 Cb 0.02 -1.07 0.51 0.00 2.41 0.00 0.00 30.24 32.11 1sxj n GLN 236 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1sxj n SER 237 N -3.76 0.00 -0.09 1.69 3.41 -0.72 -2.60 113.62 111.55 1sxj n SER 237 Ca -0.30 -0.22 -0.19 0.00 -0.26 0.00 0.00 58.87 57.91 1sxj n SER 237 Cb 0.69 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 1sxj n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxj n ALA 238 N -1.18 1.73 0.25 7.33 0.00 -0.18 -4.33 120.51 124.14 1sxj n ALA 238 Ca 0.11 -0.76 0.09 0.00 0.00 0.00 0.00 53.44 52.88 1sxj n ALA 238 Cb 0.12 0.22 0.66 0.00 0.00 0.00 0.00 19.45 20.44 1sxj n ALA 238 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sxj h SER 239 N -0.53 0.00 0.69 0.00 4.64 -1.67 0.45 113.55 117.12 1sxj h SER 239 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1sxj h SER 239 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1sxj h SER 239 CO -0.24 0.09 0.00 2.29 -0.87 0.00 0.00 176.83 178.10 1sxj n LYS 240 N -4.16 0.10 -0.07 4.77 2.85 -1.07 -2.48 118.16 118.11 1sxj n LYS 240 Ca -0.03 0.09 -0.02 0.00 -1.05 0.00 0.00 58.31 57.30 1sxj n LYS 240 Cb 0.17 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 32.89 1sxj n LYS 240 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sxj n GLY 241 N 0.83 -0.98 0.20 2.58 0.00 0.14 -4.00 105.19 103.97 1sxj n GLY 241 Ca 0.07 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1sxj n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sxj h ALA 242 N 1.32 0.95 0.04 4.61 0.00 -0.82 -2.89 119.26 122.48 1sxj h ALA 242 Ca -0.34 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.07 1sxj h ALA 242 Cb 1.78 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1sxj h ALA 242 CO 0.02 0.35 -1.03 -0.56 0.00 0.00 0.00 179.25 178.03 1sxj h GLN 243 N 0.00 0.29 -0.69 0.00 3.07 -1.66 -3.23 115.11 112.90 1sxj h GLN 243 Ca -0.00 -0.38 0.13 0.00 0.09 0.00 0.00 58.65 58.49 1sxj h GLN 243 Cb 0.90 0.12 -0.09 0.00 0.08 0.00 0.00 27.48 28.48 1sxj h GLN 243 CO 0.04 1.10 0.22 -0.92 0.09 0.00 0.00 178.83 179.36 1sxj h TYR 244 N 0.14 0.37 -0.04 0.06 3.20 -1.64 0.68 116.97 119.74 1sxj h TYR 244 Ca -0.09 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1sxj h TYR 244 Cb 1.70 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 1sxj h TYR 244 CO 0.05 0.02 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.40 1sxj h LEU 245 N 0.36 0.05 0.00 2.82 3.38 -1.61 -3.45 115.31 116.87 1sxj h LEU 245 Ca 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1sxj h LEU 245 Cb 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sxj h LEU 245 CO -0.41 0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.92 1sxj n GLY 246 N -1.11 0.00 0.08 0.83 0.00 0.24 -4.74 105.19 100.49 1sxj n GLY 246 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1sxj n GLY 246 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sxj n ASP 247 N -0.19 0.37 0.00 1.61 -0.08 -1.26 -4.80 116.55 112.19 1sxj n ASP 247 Ca 0.00 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 53.89 1sxj n ASP 247 Cb 0.22 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.00 1sxj n ASP 247 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sxj n GLY 248 N -0.46 1.23 3.77 0.27 0.00 -1.26 -4.95 105.19 103.78 1sxj n GLY 248 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1sxj n GLY 248 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sxj s LYS 249 N -0.18 3.81 1.12 1.61 2.20 -1.26 -5.00 119.74 122.03 1sxj s LYS 249 Ca 0.00 1.97 -0.16 0.00 -0.36 0.00 0.00 55.97 57.42 1sxj s LYS 249 Cb 0.00 -2.56 0.25 0.00 -1.51 0.00 0.00 37.83 34.01 1sxj s LYS 249 CO 0.00 -0.57 0.56 0.09 -0.36 0.00 0.00 175.35 175.08 1sxj n ASN 250 N -0.24 -3.41 -3.26 1.43 3.02 -1.26 -4.96 115.26 106.58 1sxj n ASN 250 Ca 0.06 -0.57 -0.26 0.00 -0.03 0.00 0.00 54.58 53.78 1sxj n ASN 250 Cb 0.46 -0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 38.76 1sxj n ASN 250 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxj n ILE 251 N -4.84 1.92 -0.72 2.41 3.06 -1.12 -4.94 119.36 115.13 1sxj n ILE 251 Ca 0.09 -5.09 -0.03 0.00 -2.50 0.00 0.00 62.75 55.22 1sxj n ILE 251 Cb 0.39 -1.81 0.02 0.00 0.54 0.00 0.00 39.64 38.79 1sxj n ILE 251 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1sxj n THR 252 N 0.65 0.00 0.04 9.51 -2.24 -1.26 -4.42 114.28 116.55 1sxj n THR 252 Ca 0.29 -0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.05 1sxj n THR 252 Cb 0.44 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1sxj n THR 252 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1sxj h SER 253 N -2.11 -0.10 -0.96 3.42 4.64 -1.94 -2.90 113.55 113.61 1sxj h SER 253 Ca -0.04 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.56 1sxj h SER 253 Cb 0.14 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 1sxj h SER 253 CO 0.02 -0.07 0.91 0.74 -0.87 0.00 0.00 176.83 177.57 1sxj h THR 254 N -0.12 0.20 -0.28 2.95 2.02 -1.92 0.53 112.91 116.29 1sxj h THR 254 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1sxj h THR 254 Cb 0.09 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1sxj h THR 254 CO 0.02 0.00 0.14 -0.61 0.37 0.00 0.00 175.52 175.44 1sxj h GLN 255 N 0.00 0.40 0.00 6.66 5.75 -1.82 -3.31 115.11 122.79 1sxj h GLN 255 Ca 0.45 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1sxj h GLN 255 Cb 2.28 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.76 1sxj h GLN 255 CO -0.00 0.38 0.00 0.28 -2.65 0.00 0.00 178.83 176.83 1sxj n VAL 256 N -4.80 0.00 -0.07 2.39 0.31 0.19 -3.99 118.33 112.36 1sxj n VAL 256 Ca -0.02 0.67 0.06 0.00 -0.01 0.00 0.00 64.34 65.03 1sxj n VAL 256 Cb 0.10 -1.45 0.11 0.00 -0.91 0.00 0.00 33.84 31.69 1sxj n VAL 256 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1sxj n GLU 257 N -0.36 -0.01 0.23 5.55 0.28 -1.22 0.15 120.64 125.27 1sxj n GLU 257 Ca 0.00 0.28 0.18 0.00 -0.16 0.00 0.00 57.16 57.46 1sxj n GLU 257 Cb 0.00 -0.49 0.85 0.00 1.43 0.00 0.00 31.44 33.23 1sxj n GLU 257 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1sxj h GLU 258 N 0.00 0.00 0.01 3.44 5.08 -1.69 -0.82 114.58 120.61 1sxj h GLU 258 Ca 0.16 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.17 1sxj h GLU 258 Cb 0.41 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1sxj h GLU 258 CO -0.16 0.00 -2.17 1.28 -1.00 0.00 0.00 179.01 176.95 1sxj n LEU 259 N -3.40 1.04 0.24 1.33 4.77 0.41 -4.32 117.00 117.07 1sxj n LEU 259 Ca 0.01 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.21 1sxj n LEU 259 Cb 0.39 -0.01 0.60 0.00 -2.33 0.00 0.00 43.42 42.07 1sxj n LEU 259 CO 0.22 0.58 0.89 0.00 -1.33 0.00 0.00 177.39 177.76 1sxj h ALA 260 N 0.73 1.24 0.00 -1.18 0.00 -1.19 -3.46 119.26 115.39 1sxj h ALA 260 Ca -0.47 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1sxj h ALA 260 Cb 2.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1sxj h ALA 260 CO 0.03 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1sxj n GLY 261 N -0.45 0.82 3.67 0.00 0.00 -0.85 -5.09 105.19 103.29 1sxj n GLY 261 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1sxj n GLY 261 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sxj n VAL 262 N -0.91 3.07 -3.62 1.61 0.31 -1.16 -4.95 118.33 112.67 1sxj n VAL 262 Ca 0.00 -0.34 -0.33 0.00 -0.01 0.00 0.00 64.34 63.66 1sxj n VAL 262 Cb 0.00 -1.23 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 1sxj n VAL 262 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1sxj s VAL 263 N -1.82 5.13 0.67 2.52 0.11 -1.26 -4.66 120.40 121.10 1sxj s VAL 263 Ca 0.76 0.24 -0.17 0.00 -2.93 0.00 0.00 61.98 59.88 1sxj s VAL 263 Cb -0.33 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1sxj s VAL 263 CO 0.48 0.16 0.58 -2.65 -3.33 0.00 0.00 175.10 170.34 1sxj n PRO 264 N 0.48 0.41 0.04 1.54 -0.02 -1.26 -4.91 135.00 131.27 1sxj n PRO 264 Ca -0.05 0.18 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1sxj n PRO 264 Cb 0.52 -1.84 0.06 0.00 -0.02 0.00 0.00 33.50 32.23 1sxj n PRO 264 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sxj h HIS 265 N -0.13 0.57 -0.05 6.00 2.76 -2.00 -3.20 115.15 119.10 1sxj h HIS 265 Ca -0.46 -0.22 -0.06 0.00 -2.20 0.00 0.00 60.37 57.43 1sxj h HIS 265 Cb 1.36 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1sxj h HIS 265 CO 0.34 0.94 -0.21 -0.44 -1.30 0.00 0.00 177.93 177.26 1sxj h ASP 266 N 0.33 0.27 0.00 3.26 3.32 -2.00 -2.49 116.42 119.12 1sxj h ASP 266 Ca -0.01 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.40 1sxj h ASP 266 Cb 1.15 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1sxj h ASP 266 CO 0.11 0.86 0.13 -0.29 -1.72 0.00 0.00 179.24 178.34 1sxj h ILE 267 N -0.31 0.00 0.08 0.35 2.10 -1.95 0.29 117.51 118.07 1sxj h ILE 267 Ca -0.01 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.72 1sxj h ILE 267 Cb 0.85 0.52 -0.00 0.00 -1.09 0.00 0.00 36.82 37.09 1sxj h ILE 267 CO 0.04 0.00 -1.05 0.25 -1.08 0.00 0.00 178.15 176.32 1sxj h LEU 268 N 0.00 0.26 -2.01 2.19 5.85 -1.51 -3.32 115.31 116.77 1sxj h LEU 268 Ca 0.00 -0.83 0.16 0.00 0.84 0.00 0.00 57.88 58.05 1sxj h LEU 268 Cb 0.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1sxj h LEU 268 CO 0.00 1.45 0.41 0.40 -0.34 0.00 0.00 178.44 180.36 1sxj h ILE 269 N -0.56 0.66 -0.18 4.05 2.04 0.01 0.38 117.51 123.91 1sxj h ILE 269 Ca -0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1sxj h ILE 269 Cb 1.53 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1sxj h ILE 269 CO 0.01 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 177.92 1sxj h GLU 270 N 0.00 0.26 0.00 2.37 5.08 -1.50 -2.00 114.58 118.79 1sxj h GLU 270 Ca 0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1sxj h GLU 270 Cb 1.07 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1sxj h GLU 270 CO -0.00 0.30 0.00 -0.89 -1.00 0.00 0.00 179.01 177.42 1sxj n ILE 271 N -4.87 0.00 -0.33 3.13 2.08 0.13 0.11 119.36 119.60 1sxj n ILE 271 Ca -0.04 1.49 -0.00 0.00 0.56 0.00 0.00 62.75 64.75 1sxj n ILE 271 Cb 0.10 -2.32 0.04 0.00 -0.75 0.00 0.00 39.64 36.72 1sxj n ILE 271 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1sxj n VAL 272 N -2.30 -0.45 -0.11 1.39 0.31 -0.75 -0.11 118.33 116.30 1sxj n VAL 272 Ca 0.00 2.04 -0.10 0.00 -0.01 0.00 0.00 64.34 66.26 1sxj n VAL 272 Cb 0.00 -2.70 0.03 0.00 -0.91 0.00 0.00 33.84 30.26 1sxj n VAL 272 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1sxj h GLU 273 N 0.00 0.88 0.00 5.55 4.81 -1.24 0.32 114.58 124.90 1sxj h GLU 273 Ca 0.31 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1sxj h GLU 273 Cb 0.53 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1sxj h GLU 273 CO -0.87 1.05 0.00 1.17 -0.73 0.00 0.00 179.01 179.63 1sxj n LYS 274 N -4.09 0.16 -0.08 1.92 3.00 0.12 -2.42 118.16 116.76 1sxj n LYS 274 Ca -0.01 0.58 -0.10 0.00 -0.00 0.00 0.00 58.31 58.77 1sxj n LYS 274 Cb 0.48 -1.94 -0.09 0.00 0.00 0.00 0.00 35.03 33.49 1sxj n LYS 274 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1sxj n VAL 275 N -2.26 1.00 0.13 3.15 0.31 -0.42 -4.22 118.33 116.02 1sxj n VAL 275 Ca -0.00 -0.46 0.19 0.00 -0.01 0.00 0.00 64.34 64.06 1sxj n VAL 275 Cb 0.09 -0.96 0.74 0.00 -0.91 0.00 0.00 33.84 32.80 1sxj n VAL 275 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1sxj h LYS 276 N 0.00 0.00 -1.80 5.55 3.64 -0.04 -3.40 116.57 120.51 1sxj h LYS 276 Ca -0.39 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1sxj h LYS 276 Cb 1.70 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 33.29 1sxj h LYS 276 CO -0.03 0.00 0.29 -1.54 -2.27 0.00 0.00 179.45 175.90 1sxj s SER 277 N -5.01 -0.60 0.00 4.20 1.04 -1.14 -5.09 113.70 107.10 1sxj s SER 277 Ca -0.04 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1sxj s SER 277 Cb 0.14 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.38 1sxj s SER 277 CO 0.48 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1sxj n GLY 278 N 2.33 4.45 3.57 7.32 0.00 -1.26 -4.42 105.19 117.18 1sxj n GLY 278 Ca -0.13 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1sxj n GLY 278 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sxj s ASP 279 N 0.00 0.71 0.00 1.61 -4.77 -1.26 -4.89 116.67 108.07 1sxj s ASP 279 Ca 0.00 0.60 0.00 0.00 -3.30 0.00 0.00 52.55 49.85 1sxj s ASP 279 Cb 0.00 -0.82 0.00 0.00 -1.09 0.00 0.00 42.92 41.01 1sxj s ASP 279 CO 0.00 -4.25 0.46 0.33 0.70 0.00 0.00 175.17 172.41 1sxj n PHE 280 N -4.84 0.00 -0.15 2.11 7.35 -1.26 -3.35 117.46 117.32 1sxj n PHE 280 Ca 0.14 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.93 1sxj n PHE 280 Cb 0.60 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.61 1sxj n PHE 280 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1sxj n ASP 281 N -0.54 0.04 0.04 -2.13 8.00 -1.26 0.43 116.55 121.14 1sxj n ASP 281 Ca 0.00 0.74 -0.11 0.00 0.71 0.00 0.00 54.79 56.13 1sxj n ASP 281 Cb 0.00 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 1sxj n ASP 281 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1sxj h GLU 282 N 0.00 -0.13 0.92 -1.24 4.57 -1.93 0.38 114.58 117.16 1sxj h GLU 282 Ca 0.31 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.46 1sxj h GLU 282 Cb 0.75 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.38 1sxj h GLU 282 CO -0.38 -0.09 -0.44 0.82 -1.18 0.00 0.00 179.01 177.74 1sxj h ILE 283 N -0.14 0.06 -0.96 2.32 5.03 -0.03 0.28 117.51 124.08 1sxj h ILE 283 Ca 0.04 -0.04 0.28 0.00 -0.12 0.00 0.00 64.86 65.01 1sxj h ILE 283 Cb 0.19 0.07 -0.14 0.00 -3.03 0.00 0.00 36.82 33.90 1sxj h ILE 283 CO -0.10 0.00 0.47 0.50 -0.68 0.00 0.00 178.15 178.34 1sxj h LYS 284 N -1.28 0.32 0.55 2.37 1.63 -1.42 1.36 116.57 120.11 1sxj h LYS 284 Ca -0.13 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 1sxj h LYS 284 Cb 0.95 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.51 1sxj h LYS 284 CO 0.21 0.21 -0.27 -0.22 -3.45 0.00 0.00 179.45 175.94 1sxj h LYS 285 N 0.33 -0.71 0.38 1.90 3.64 0.22 -1.66 116.57 120.66 1sxj h LYS 285 Ca 0.66 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 60.07 1sxj h LYS 285 Cb 1.41 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1sxj h LYS 285 CO -0.60 -0.45 -0.18 -0.92 -2.27 0.00 0.00 179.45 175.03 1sxj h TYR 286 N -0.80 -0.47 -0.75 1.91 3.20 0.34 -2.79 116.97 117.61 1sxj h TYR 286 Ca -0.08 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 61.95 1sxj h TYR 286 Cb 0.59 0.16 -0.13 0.00 1.54 0.00 0.00 36.73 38.89 1sxj h TYR 286 CO -0.02 -0.28 0.04 0.28 -1.64 0.00 0.00 178.16 176.53 1sxj h VAL 287 N -0.53 0.36 -0.81 1.81 2.07 0.15 0.68 116.25 119.98 1sxj h VAL 287 Ca -0.05 -0.04 0.17 0.00 0.82 0.00 0.00 66.70 67.59 1sxj h VAL 287 Cb 0.40 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.30 1sxj h VAL 287 CO 0.09 0.02 0.34 -1.13 0.02 0.00 0.00 177.57 176.91 1sxj h ASN 288 N 0.13 0.32 0.05 0.57 -0.00 -1.04 -0.06 115.58 115.54 1sxj h ASN 288 Ca 0.42 0.12 0.01 0.00 -0.00 0.00 0.00 56.30 56.85 1sxj h ASN 288 Cb 0.73 0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 39.13 1sxj h ASN 288 CO -0.64 0.08 -0.12 0.74 -0.00 0.00 0.00 177.43 177.50 1sxj h THR 289 N 0.45 0.72 -0.28 -3.57 2.02 0.55 0.32 112.91 113.13 1sxj h THR 289 Ca 0.47 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.70 1sxj h THR 289 Cb 0.77 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1sxj h THR 289 CO -0.44 0.00 -0.08 0.15 0.37 0.00 0.00 175.52 175.52 1sxj h PHE 290 N -0.22 -0.17 0.19 3.16 3.57 -0.33 -2.18 116.94 120.95 1sxj h PHE 290 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1sxj h PHE 290 Cb 0.25 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1sxj h PHE 290 CO -0.16 -0.13 -0.10 0.52 -2.23 0.00 0.00 178.31 176.22 1sxj h MET 291 N -0.01 -0.25 -0.38 1.11 2.86 -0.91 0.37 114.93 117.72 1sxj h MET 291 Ca 0.13 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1sxj h MET 291 Cb 0.22 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 1sxj h MET 291 CO -0.29 -0.17 -0.10 1.17 1.06 0.00 0.00 176.91 178.58 1sxj n LYS 292 N -5.21 -0.04 0.00 1.72 4.81 0.11 -4.11 118.16 115.44 1sxj n LYS 292 Ca -0.09 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1sxj n LYS 292 Cb 0.13 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1sxj n LYS 292 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1sxj n SER 293 N -4.61 0.00 -2.49 3.14 3.41 -1.16 -5.10 113.62 106.81 1sxj n SER 293 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.44 1sxj n SER 293 Cb 0.18 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.14 1sxj n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sxj n GLY 294 N -0.12 -1.88 3.38 5.00 0.00 0.13 -4.35 105.19 107.35 1sxj n GLY 294 Ca 0.00 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 1sxj n GLY 294 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sxj n TRP 295 N -0.88 0.69 -0.29 1.61 7.02 -1.26 -4.65 117.44 119.68 1sxj n TRP 295 Ca 0.05 0.47 -0.07 0.00 -1.02 0.00 0.00 57.50 56.92 1sxj n TRP 295 Cb 0.28 -2.32 -0.02 0.00 -2.42 0.00 0.00 31.31 26.83 1sxj n TRP 295 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1sxj n SER 296 N 9.60 1.81 -4.35 -0.99 7.64 -1.26 -4.76 113.62 121.31 1sxj n SER 296 Ca 0.62 -1.98 -0.37 0.00 1.01 0.00 0.00 58.87 58.15 1sxj n SER 296 Cb 0.01 -0.60 -0.12 0.00 -1.01 0.00 0.00 64.21 62.49 1sxj n SER 296 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxj s ALA 297 N 3.58 3.09 -0.73 -0.43 0.00 -1.26 -4.92 121.76 121.09 1sxj s ALA 297 Ca 0.17 -1.47 0.18 0.00 0.00 0.00 0.00 51.96 50.84 1sxj s ALA 297 Cb 0.06 -2.19 0.77 0.00 0.00 0.00 0.00 23.12 21.76 1sxj s ALA 297 CO -0.01 -0.96 1.56 0.00 0.00 0.00 0.00 175.76 176.35 1sxj n ALA 298 N 4.88 1.60 0.24 0.00 0.00 -1.26 -2.10 120.51 123.86 1sxj n ALA 298 Ca -0.14 0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.47 1sxj n ALA 298 Cb 0.48 -1.29 0.78 0.00 0.00 0.00 0.00 19.45 19.41 1sxj n ALA 298 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sxj h SER 299 N 0.00 0.00 -0.94 0.00 4.64 -1.95 0.15 113.55 115.46 1sxj h SER 299 Ca 0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 1sxj h SER 299 Cb 0.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 1sxj h SER 299 CO 0.00 0.00 0.63 0.58 -0.87 0.00 0.00 176.83 177.17 1sxj h VAL 300 N 0.00 0.61 0.08 0.95 2.07 -1.81 0.65 116.25 118.80 1sxj h VAL 300 Ca 0.00 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1sxj h VAL 300 Cb 0.18 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1sxj h VAL 300 CO 0.00 0.05 -0.04 0.58 0.02 0.00 0.00 177.57 178.18 1sxj h VAL 301 N 0.28 1.03 -0.89 2.57 2.07 -0.95 -0.52 116.25 119.84 1sxj h VAL 301 Ca 0.49 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1sxj h VAL 301 Cb 1.42 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 32.40 1sxj h VAL 301 CO -0.15 0.10 0.52 -1.13 0.02 0.00 0.00 177.57 176.93 1sxj h ASN 302 N -0.30 0.75 0.26 0.57 -1.24 0.09 -0.95 115.58 114.76 1sxj h ASN 302 Ca -0.01 0.05 -0.21 0.00 0.71 0.00 0.00 56.30 56.84 1sxj h ASN 302 Cb 0.25 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1sxj h ASN 302 CO 0.02 0.41 -0.85 1.56 -1.29 0.00 0.00 177.43 177.27 1sxj h GLN 303 N 0.85 0.45 -0.01 6.67 4.20 -0.96 -2.52 115.11 123.78 1sxj h GLN 303 Ca 0.44 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1sxj h GLN 303 Cb 0.43 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1sxj h GLN 303 CO -0.26 1.08 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.77 1sxj h LEU 304 N 0.28 0.02 0.00 1.46 3.38 -0.44 -1.74 115.31 118.26 1sxj h LEU 304 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sxj h LEU 304 Cb 1.47 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1sxj h LEU 304 CO 0.15 0.15 0.00 1.57 0.09 0.00 0.00 178.44 180.40 1sxj n HIS 305 N -4.38 0.00 -0.35 1.13 -0.00 -0.42 -2.64 115.22 108.57 1sxj n HIS 305 Ca -0.02 0.00 0.31 0.00 0.46 0.00 0.00 57.72 58.47 1sxj n HIS 305 Cb 0.20 -0.43 0.58 0.00 -0.12 0.00 0.00 29.99 30.22 1sxj n HIS 305 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1sxj h GLU 306 N 0.00 0.08 0.00 1.57 4.81 -1.37 -2.33 114.58 117.34 1sxj h GLU 306 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sxj h GLU 306 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1sxj h GLU 306 CO 0.00 0.05 0.00 0.98 -0.73 0.00 0.00 179.01 179.31 1sxj n TYR 307 N -5.12 0.00 -0.31 0.92 9.36 -0.66 -2.61 117.16 118.73 1sxj n TYR 307 Ca 0.37 0.00 0.31 0.00 3.32 0.00 0.00 57.90 61.89 1sxj n TYR 307 Cb 1.25 0.00 0.56 0.00 -0.63 0.00 0.00 39.34 40.53 1sxj n TYR 307 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1sxj n TYR 308 N -0.34 1.12 0.23 2.98 4.02 -1.08 0.61 117.16 124.70 1sxj n TYR 308 Ca 0.00 1.14 0.11 0.00 -0.01 0.00 0.00 57.90 59.14 1sxj n TYR 308 Cb 0.00 -1.54 0.46 0.00 -0.02 0.00 0.00 39.34 38.24 1sxj n TYR 308 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1sxj h ILE 309 N 0.00 0.44 0.05 -0.72 5.03 -1.53 -3.28 117.51 117.50 1sxj h ILE 309 Ca 0.82 -1.07 -0.36 0.00 -0.12 0.00 0.00 64.86 64.13 1sxj h ILE 309 Cb 2.16 1.77 -0.04 0.00 -3.03 0.00 0.00 36.82 37.67 1sxj h ILE 309 CO -0.75 0.18 -2.05 0.41 -0.68 0.00 0.00 178.15 175.26 1sxj n THR 310 N -3.31 1.62 -1.50 -0.27 -1.04 0.20 -4.96 114.28 105.02 1sxj n THR 310 Ca 0.01 -0.45 -0.49 0.00 -2.04 0.00 0.00 64.05 61.07 1sxj n THR 310 Cb 0.43 -1.75 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 1sxj n THR 310 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1sxj n ASN 311 N -3.76 0.11 -1.32 8.00 2.85 -0.07 -4.88 115.26 116.20 1sxj n ASN 311 Ca -0.39 1.15 0.12 0.00 -0.11 0.00 0.00 54.58 55.34 1sxj n ASN 311 Cb 0.93 -1.09 0.31 0.00 1.24 0.00 0.00 39.78 41.17 1sxj n ASN 311 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1sxj n ASP 312 N 1.76 3.83 -0.28 1.20 8.00 -1.26 -4.22 116.55 125.58 1sxj n ASP 312 Ca 0.16 -2.00 0.11 0.00 0.71 0.00 0.00 54.79 53.76 1sxj n ASP 312 Cb 0.24 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.83 1sxj n ASP 312 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sxj n ASN 313 N 1.60 1.57 -4.72 -2.24 5.15 -1.26 -4.91 115.26 110.44 1sxj n ASN 313 Ca 0.24 -1.28 -0.35 0.00 -0.60 0.00 0.00 54.58 52.59 1sxj n ASN 313 Cb 0.61 0.70 -0.08 0.00 -0.53 0.00 0.00 39.78 40.48 1sxj n ASN 313 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1sxj s PHE 314 N -2.71 3.38 0.90 1.20 0.40 -1.26 -5.09 117.98 114.80 1sxj s PHE 314 Ca 0.14 0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 56.64 1sxj s PHE 314 Cb 0.17 -2.10 0.14 0.00 0.51 0.00 0.00 43.02 41.74 1sxj s PHE 314 CO 0.70 0.31 1.11 -0.51 0.70 0.00 0.00 175.22 177.54 1sxj s ASP 315 N 0.14 3.19 0.11 1.36 1.01 -1.26 -4.76 116.67 116.46 1sxj s ASP 315 Ca 0.08 1.94 -0.21 0.00 0.71 0.00 0.00 52.55 55.06 1sxj s ASP 315 Cb -0.12 -2.48 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1sxj s ASP 315 CO -0.01 -2.89 1.75 0.74 0.21 0.00 0.00 175.17 174.98 1sxj h THR 316 N -1.72 1.00 -0.40 -1.27 2.02 -1.98 -0.23 112.91 110.32 1sxj h THR 316 Ca -0.46 -0.03 0.12 0.00 0.77 0.00 0.00 66.41 66.80 1sxj h THR 316 Cb 1.27 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1sxj h THR 316 CO 0.47 0.02 0.52 0.78 0.37 0.00 0.00 175.52 177.68 1sxj h ASN 317 N 0.10 0.00 0.03 4.18 2.35 -1.99 0.42 115.58 120.66 1sxj h ASN 317 Ca 0.04 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1sxj h ASN 317 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1sxj h ASN 317 CO -0.02 0.00 -0.63 0.15 -1.65 0.00 0.00 177.43 175.27 1sxj h PHE 318 N 0.00 0.11 -0.33 1.19 3.57 -1.53 -3.17 116.94 116.79 1sxj h PHE 318 Ca 0.19 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1sxj h PHE 318 Cb 1.24 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.89 1sxj h PHE 318 CO 0.00 1.25 -0.52 0.87 -2.23 0.00 0.00 178.31 177.68 1sxj h LYS 319 N -0.85 -0.42 0.00 1.11 1.79 0.13 -0.55 116.57 117.79 1sxj h LYS 319 Ca -0.16 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1sxj h LYS 319 Cb 1.25 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1sxj h LYS 319 CO -0.04 -0.28 0.00 0.09 -1.08 0.00 0.00 179.45 178.14 1sxj n ASN 320 N -5.40 0.00 -0.33 0.86 3.02 0.86 -0.87 115.26 113.39 1sxj n ASN 320 Ca -0.04 0.91 0.08 0.00 -0.03 0.00 0.00 54.58 55.50 1sxj n ASN 320 Cb 0.36 -0.41 0.25 0.00 -0.61 0.00 0.00 39.78 39.37 1sxj n ASN 320 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1sxj h GLN 321 N 0.00 0.77 -0.49 3.52 4.20 -1.49 -0.54 115.11 121.10 1sxj h GLN 321 Ca 0.00 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1sxj h GLN 321 Cb 0.00 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1sxj h GLN 321 CO 0.00 0.51 0.05 0.82 -0.67 0.00 0.00 178.83 179.54 1sxj h ILE 322 N 0.80 1.23 0.24 2.54 5.03 -0.77 -2.25 117.51 124.33 1sxj h ILE 322 Ca 0.50 -0.90 0.01 0.00 -0.12 0.00 0.00 64.86 64.34 1sxj h ILE 322 Cb 0.63 0.81 -0.03 0.00 -3.03 0.00 0.00 36.82 35.20 1sxj h ILE 322 CO -0.32 0.32 -0.32 -1.28 -0.68 0.00 0.00 178.15 175.87 1sxj h SER 323 N 0.73 -0.89 -0.75 1.72 0.87 0.64 -1.68 113.55 114.19 1sxj h SER 323 Ca 0.15 0.09 0.08 0.00 -1.23 0.00 0.00 61.79 60.89 1sxj h SER 323 Cb 0.38 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 1sxj h SER 323 CO 0.01 -0.44 0.49 -0.25 -0.53 0.00 0.00 176.83 176.12 1sxj h TRP 324 N -0.62 0.75 -0.21 2.24 2.91 -1.24 -2.42 115.95 117.36 1sxj h TRP 324 Ca 0.00 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.99 1sxj h TRP 324 Cb 0.60 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 1sxj h TRP 324 CO -0.23 0.37 -0.07 -0.07 -1.03 0.00 0.00 178.44 177.41 1sxj h LEU 325 N 0.71 0.42 -1.02 0.65 3.38 -0.87 -1.26 115.31 117.33 1sxj h LEU 325 Ca 0.34 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sxj h LEU 325 Cb 0.38 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1sxj h LEU 325 CO -0.12 0.71 0.63 -0.07 0.09 0.00 0.00 178.44 179.68 1sxj h LEU 326 N 0.13 1.13 0.16 1.67 3.38 -1.04 -1.19 115.31 119.55 1sxj h LEU 326 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1sxj h LEU 326 Cb 0.53 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1sxj h LEU 326 CO 0.02 0.83 -0.08 0.15 0.09 0.00 0.00 178.44 179.46 1sxj h PHE 327 N 1.33 -0.21 0.53 1.13 3.57 -1.31 0.87 116.94 122.85 1sxj h PHE 327 Ca 0.36 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1sxj h PHE 327 Cb -0.13 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1sxj h PHE 327 CO 0.00 -0.13 -0.51 1.15 -2.23 0.00 0.00 178.31 176.60 1sxj h THR 328 N -0.22 0.00 -0.91 4.41 2.02 -0.69 0.94 112.91 118.46 1sxj h THR 328 Ca -0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.26 1sxj h THR 328 Cb 0.17 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.51 1sxj h THR 328 CO 0.03 0.00 0.55 0.74 0.37 0.00 0.00 175.52 177.21 1sxj h THR 329 N -1.03 0.95 0.18 3.16 2.02 -1.24 0.25 112.91 117.20 1sxj h THR 329 Ca -0.07 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1sxj h THR 329 Cb 0.88 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1sxj h THR 329 CO -0.05 0.17 -0.18 -0.78 0.37 0.00 0.00 175.52 175.05 1sxj h ASP 330 N 0.92 -0.47 -0.95 4.18 -0.00 -0.44 0.15 116.42 119.80 1sxj h ASP 330 Ca 0.43 0.05 0.06 0.00 -0.00 0.00 0.00 57.03 57.56 1sxj h ASP 330 Cb 0.36 0.17 -0.06 0.00 -0.00 0.00 0.00 39.33 39.79 1sxj h ASP 330 CO -0.24 -0.27 0.61 0.28 -0.00 0.00 0.00 179.24 179.63 1sxj h SER 331 N -0.39 0.98 -0.81 2.28 0.02 -0.09 -0.61 113.55 114.92 1sxj h SER 331 Ca 0.00 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1sxj h SER 331 Cb 0.37 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1sxj h SER 331 CO -0.05 0.63 0.38 0.03 -1.14 0.00 0.00 176.83 176.69 1sxj h ARG 332 N 1.12 1.18 0.00 3.45 2.47 -0.39 -2.65 114.38 119.56 1sxj h ARG 332 Ca 0.40 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1sxj h ARG 332 Cb 0.13 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1sxj h ARG 332 CO -0.16 0.91 -0.16 -0.07 0.56 0.00 0.00 179.97 181.05 1sxj h LEU 333 N 1.17 0.00 -2.94 3.04 3.38 0.81 -3.03 115.31 117.74 1sxj h LEU 333 Ca 0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.04 1sxj h LEU 333 Cb 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 1sxj h LEU 333 CO -0.03 0.16 0.27 0.59 0.09 0.00 0.00 178.44 179.52 1sxj n ASN 334 N -3.52 4.24 -0.79 -0.43 3.02 -0.78 -3.51 115.26 113.49 1sxj n ASN 334 Ca -0.01 -2.70 0.03 0.00 -0.03 0.00 0.00 54.58 51.88 1sxj n ASN 334 Cb 0.32 -0.77 0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1sxj n ASN 334 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sxj n ASN 335 N 0.13 0.77 -3.53 6.41 3.02 -1.14 -4.99 115.26 115.92 1sxj n ASN 335 Ca 0.22 -2.30 -0.19 0.00 -0.03 0.00 0.00 54.58 52.28 1sxj n ASN 335 Cb 0.81 -0.29 0.07 0.00 -0.61 0.00 0.00 39.78 39.76 1sxj n ASN 335 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxj n GLY 336 N -0.10 -0.37 3.97 7.41 0.00 -1.23 -5.00 105.19 109.87 1sxj n GLY 336 Ca 0.06 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1sxj n GLY 336 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sxj s THR 337 N -3.43 2.55 -0.49 2.61 -4.23 -1.26 -5.01 115.64 106.38 1sxj s THR 337 Ca 0.08 -0.58 -0.28 0.00 -1.18 0.00 0.00 61.69 59.74 1sxj s THR 337 Cb -0.04 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1sxj s THR 337 CO 0.75 0.00 1.54 0.21 -0.54 0.00 0.00 174.62 176.58 1sxj s ASN 338 N -4.46 6.03 0.16 3.99 3.04 -1.26 -4.91 114.94 117.52 1sxj s ASN 338 Ca 0.58 0.61 -0.20 0.00 0.04 0.00 0.00 52.86 53.89 1sxj s ASN 338 Cb -0.10 -2.54 0.06 0.00 -1.54 0.00 0.00 41.25 37.13 1sxj s ASN 338 CO 0.40 -1.73 1.27 -0.62 -3.04 0.00 0.00 177.10 173.38 1sxj n GLU 339 N 8.54 -0.28 0.00 0.43 -0.58 -1.26 -2.35 120.64 125.13 1sxj n GLU 339 Ca 0.16 1.25 0.00 0.00 -0.42 0.00 0.00 57.16 58.16 1sxj n GLU 339 Cb 0.49 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1sxj n GLU 339 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1sxj n HIS 340 N -5.12 0.00 -0.11 -0.32 -0.00 -1.26 -2.06 115.22 106.35 1sxj n HIS 340 Ca 0.05 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.20 1sxj n HIS 340 Cb 0.27 -0.46 -0.03 0.00 -0.12 0.00 0.00 29.99 29.66 1sxj n HIS 340 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1sxj n ILE 341 N -2.33 -0.17 -0.26 3.57 5.41 -0.99 -0.92 119.36 123.66 1sxj n ILE 341 Ca 0.00 1.51 -0.00 0.00 1.00 0.00 0.00 62.75 65.25 1sxj n ILE 341 Cb 0.00 -1.95 0.06 0.00 -0.71 0.00 0.00 39.64 37.04 1sxj n ILE 341 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1sxj h GLN 342 N 0.00 -0.05 -0.78 0.38 1.08 -1.49 -1.15 115.11 113.10 1sxj h GLN 342 Ca 0.04 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1sxj h GLN 342 Cb 0.11 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1sxj h GLN 342 CO -0.24 -0.03 0.32 1.25 -0.95 0.00 0.00 178.83 179.17 1sxj h LEU 343 N -0.05 1.07 0.74 1.46 5.85 -0.57 -1.96 115.31 121.85 1sxj h LEU 343 Ca 0.33 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1sxj h LEU 343 Cb 0.56 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1sxj h LEU 343 CO -0.78 0.95 -0.49 0.25 -0.34 0.00 0.00 178.44 178.03 1sxj h LEU 344 N 1.13 -1.27 -0.70 2.25 5.85 0.18 -2.66 115.31 120.09 1sxj h LEU 344 Ca 0.26 0.08 0.15 0.00 0.84 0.00 0.00 57.88 59.21 1sxj h LEU 344 Cb 0.21 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.51 1sxj h LEU 344 CO -0.02 -0.74 0.12 -1.13 -0.34 0.00 0.00 178.44 176.33 1sxj h ASN 345 N -1.17 -0.08 -0.70 1.25 -1.24 -1.31 -0.50 115.58 111.83 1sxj h ASN 345 Ca -0.10 0.15 0.09 0.00 0.71 0.00 0.00 56.30 57.15 1sxj h ASN 345 Cb 0.95 0.22 -0.07 0.00 0.73 0.00 0.00 38.32 40.15 1sxj h ASN 345 CO 0.07 -0.06 0.34 0.25 -1.29 0.00 0.00 177.43 176.74 1sxj h LEU 346 N 0.22 0.43 -0.44 0.34 5.85 -1.20 0.16 115.31 120.67 1sxj h LEU 346 Ca 0.39 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 59.00 1sxj h LEU 346 Cb 0.65 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1sxj h LEU 346 CO -0.52 0.24 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.16 1sxj h LEU 347 N 0.57 0.67 -0.96 2.25 3.38 -0.88 -1.61 115.31 118.74 1sxj h LEU 347 Ca 0.34 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1sxj h LEU 347 Cb 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sxj h LEU 347 CO -0.27 1.11 -0.45 0.58 0.09 0.00 0.00 178.44 179.50 1sxj h VAL 348 N 0.44 1.33 0.15 1.22 2.07 -0.43 -2.32 116.25 118.71 1sxj h VAL 348 Ca -0.00 -1.60 -0.21 0.00 0.82 0.00 0.00 66.70 65.71 1sxj h VAL 348 Cb 1.17 1.78 0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1sxj h VAL 348 CO 0.11 0.47 -0.90 0.11 0.02 0.00 0.00 177.57 177.38 1sxj h LYS 349 N 0.13 0.35 -0.18 1.57 1.57 -0.61 -3.13 116.57 116.27 1sxj h LYS 349 Ca 0.01 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 1sxj h LYS 349 Cb 0.85 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1sxj h LYS 349 CO 0.07 1.27 0.06 0.97 -0.57 0.00 0.00 179.45 181.24 1sxj h ILE 350 N -0.26 1.08 -0.31 1.86 2.10 -1.29 -2.37 117.51 118.31 1sxj h ILE 350 Ca -0.16 -0.26 -0.03 0.00 1.08 0.00 0.00 64.86 65.50 1sxj h ILE 350 Cb 1.70 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 38.30 1sxj h ILE 350 CO 0.17 0.10 0.09 0.77 -1.08 0.00 0.00 178.15 178.20 1sxj h SER 351 N 0.25 0.46 -0.34 2.19 4.64 -1.46 -2.54 113.55 116.75 1sxj h SER 351 Ca 0.06 -0.21 0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1sxj h SER 351 Cb 0.07 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1sxj h SER 351 CO -0.01 0.55 0.30 1.56 -0.87 0.00 0.00 176.83 178.37 1sxj h GLN 352 N 0.35 0.00 0.00 4.77 1.08 -1.37 -3.48 115.11 116.46 1sxj h GLN 352 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1sxj h GLN 352 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1sxj h GLN 352 CO -0.00 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.16