#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jae s ASP 3 N 0.00 5.80 0.54 4.39 -1.08 -1.26 -4.95 116.67 120.10 1jae s ASP 3 Ca 0.00 -0.02 0.36 0.00 -0.52 0.00 0.00 52.55 52.36 1jae s ASP 3 Cb 0.00 -2.06 1.79 0.00 -1.46 0.00 0.00 42.92 41.19 1jae s ASP 3 CO 0.00 -0.00 2.08 0.00 0.52 0.00 0.00 175.17 177.77 1jae h ALA 4 N 8.03 1.00 -1.47 3.66 0.00 -1.96 -3.37 119.26 125.15 1jae h ALA 4 Ca -0.37 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 1jae h ALA 4 Cb 1.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1jae h ALA 4 CO 0.59 0.00 -0.30 0.09 0.00 0.00 0.00 179.25 179.63 1jae n ASN 5 N -2.85 -4.09 -4.72 0.00 3.02 -1.26 -4.81 115.26 100.55 1jae n ASN 5 Ca -0.01 0.07 -0.32 0.00 -0.03 0.00 0.00 54.58 54.29 1jae n ASN 5 Cb 0.14 -3.14 0.12 0.00 -0.61 0.00 0.00 39.78 36.29 1jae n ASN 5 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1jae s PHE 6 N -2.58 2.04 0.64 3.10 0.08 -1.26 -4.93 117.98 115.07 1jae s PHE 6 Ca 0.00 1.66 -0.11 0.00 0.12 0.00 0.00 56.93 58.60 1jae s PHE 6 Cb 0.00 -3.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.11 1jae s PHE 6 CO 0.00 -2.45 1.04 0.00 -0.10 0.00 0.00 175.22 173.71 1jae s ALA 7 N -2.43 2.95 0.42 5.36 0.00 -1.26 -4.97 121.76 121.82 1jae s ALA 7 Ca 0.68 -0.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.38 1jae s ALA 7 Cb -0.24 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1jae s ALA 7 CO 0.52 -0.85 1.39 0.43 0.00 0.00 0.00 175.76 177.24 1jae n SER 8 N -2.81 3.16 -0.46 0.00 7.64 -1.26 -2.87 113.62 117.01 1jae n SER 8 Ca 0.07 1.15 -0.06 0.00 1.01 0.00 0.00 58.87 61.03 1jae n SER 8 Cb 0.54 -1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 1jae n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jae n GLY 9 N 0.63 0.80 3.36 0.23 0.00 -1.26 -5.03 105.19 103.93 1jae n GLY 9 Ca 0.05 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 1jae n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jae s ARG 10 N -2.58 1.37 0.13 1.61 1.81 -1.14 -4.88 118.95 115.27 1jae s ARG 10 Ca 0.00 -1.57 -0.20 0.00 -1.72 0.00 0.00 55.73 52.24 1jae s ARG 10 Cb 0.00 -1.26 0.05 0.00 -0.45 0.00 0.00 34.95 33.29 1jae s ARG 10 CO 0.00 0.23 0.51 0.54 -0.68 0.00 0.00 175.30 175.90 1jae s ASN 11 N -3.19 -0.42 0.16 0.23 2.20 -1.07 -4.76 114.94 108.10 1jae s ASN 11 Ca 0.22 -0.11 0.00 0.00 -0.94 0.00 0.00 52.86 52.03 1jae s ASN 11 Cb -0.03 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 1jae s ASN 11 CO 0.08 -0.89 0.00 -1.20 -2.94 0.00 0.00 177.10 172.15 1jae n SER 12 N -0.22 -2.84 -4.42 3.54 7.64 -1.26 -0.60 113.62 115.45 1jae n SER 12 Ca -0.17 0.46 -0.33 0.00 1.01 0.00 0.00 58.87 59.84 1jae n SER 12 Cb 0.64 -0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 62.95 1jae n SER 12 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jae s ILE 13 N -3.46 3.14 -0.16 0.44 1.01 -0.39 -1.02 121.20 120.76 1jae s ILE 13 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 1jae s ILE 13 Cb 0.00 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1jae s ILE 13 CO 0.00 0.55 0.00 -0.69 0.00 0.00 0.00 174.94 174.80 1jae s VAL 14 N -0.03 4.26 -0.70 2.92 1.01 0.50 0.11 120.40 128.47 1jae s VAL 14 Ca -0.03 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 1jae s VAL 14 Cb -0.14 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1jae s VAL 14 CO 0.04 0.48 0.99 -2.28 0.00 0.00 0.00 175.10 174.34 1jae s HIS 15 N 0.34 2.72 -1.31 5.22 2.46 0.35 -0.32 115.29 124.75 1jae s HIS 15 Ca -0.01 -0.66 -0.13 0.00 0.47 0.00 0.00 55.06 54.73 1jae s HIS 15 Cb -0.13 -4.30 0.12 0.00 -0.13 0.00 0.00 32.58 28.14 1jae s HIS 15 CO 0.02 -1.64 1.84 1.28 -2.47 0.00 0.00 174.74 173.77 1jae n LEU 16 N 7.60 6.10 -4.64 8.88 4.77 -0.96 -1.92 117.00 136.83 1jae n LEU 16 Ca 0.00 -4.37 -0.48 0.00 -0.03 0.00 0.00 56.01 51.13 1jae n LEU 16 Cb 0.46 -1.60 -0.05 0.00 -2.33 0.00 0.00 43.42 39.91 1jae n LEU 16 CO 0.63 0.97 1.59 0.33 -1.33 0.00 0.00 177.39 179.58 1jae n PHE 17 N 5.51 2.19 -1.04 -1.77 7.35 -1.19 -2.07 117.46 126.45 1jae n PHE 17 Ca 0.43 -0.01 -0.01 0.00 -0.76 0.00 0.00 57.45 57.10 1jae n PHE 17 Cb 0.40 -2.66 -0.01 0.00 0.35 0.00 0.00 39.48 37.56 1jae n PHE 17 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1jae n GLU 18 N 7.20 -1.00 -2.16 -4.13 -0.58 -1.26 -4.77 120.64 113.93 1jae n GLU 18 Ca 0.26 0.33 -0.33 0.00 -0.42 0.00 0.00 57.16 57.00 1jae n GLU 18 Cb 0.31 -4.12 -0.00 0.00 -0.57 0.00 0.00 31.44 27.05 1jae n GLU 18 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jae s TRP 19 N -1.59 3.14 0.40 -0.32 0.52 -0.88 -4.95 118.94 115.26 1jae s TRP 19 Ca 0.00 1.50 -0.10 0.00 0.02 0.00 0.00 56.10 57.51 1jae s TRP 19 Cb 0.00 -2.94 -0.06 0.00 -1.15 0.00 0.00 33.47 29.32 1jae s TRP 19 CO 0.00 -0.87 0.76 0.15 0.02 0.00 0.00 176.95 177.01 1jae s LYS 20 N -4.06 3.78 0.21 4.98 1.02 -1.26 -4.77 119.74 119.64 1jae s LYS 20 Ca 0.62 0.46 -0.09 0.00 0.02 0.00 0.00 55.97 56.98 1jae s LYS 20 Cb -0.14 -2.40 0.20 0.00 -0.52 0.00 0.00 37.83 34.97 1jae s LYS 20 CO 0.35 -0.02 1.86 -1.49 -0.92 0.00 0.00 175.35 175.12 1jae h TRP 21 N 1.29 0.88 -0.83 3.18 -0.00 -1.43 -1.36 115.95 117.68 1jae h TRP 21 Ca -0.47 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.45 1jae h TRP 21 Cb 1.19 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 30.02 1jae h TRP 21 CO 0.61 0.50 0.55 -0.91 -0.00 0.00 0.00 178.44 179.19 1jae h ASN 22 N 0.92 0.94 -0.35 -3.49 -0.26 -1.81 -0.80 115.58 110.72 1jae h ASN 22 Ca 0.30 -0.02 -0.14 0.00 -0.56 0.00 0.00 56.30 55.87 1jae h ASN 22 Cb 0.01 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1jae h ASN 22 CO -0.11 0.68 -0.32 0.44 -1.06 0.00 0.00 177.43 177.06 1jae h ASP 23 N 1.11 0.92 -0.53 5.81 3.32 -1.83 -2.09 116.42 123.13 1jae h ASP 23 Ca 0.31 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1jae h ASP 23 Cb -0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1jae h ASP 23 CO -0.07 1.16 0.18 0.40 -1.72 0.00 0.00 179.24 179.18 1jae h ILE 24 N 0.74 1.23 -0.41 0.35 2.04 -0.87 0.14 117.51 120.73 1jae h ILE 24 Ca 0.08 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.23 1jae h ILE 24 Cb 0.88 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1jae h ILE 24 CO 0.08 0.28 0.14 0.00 0.00 0.00 0.00 178.15 178.65 1jae h ALA 25 N 1.04 0.48 -0.42 1.87 0.00 -0.98 0.11 119.26 121.36 1jae h ALA 25 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1jae h ALA 25 Cb 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jae h ALA 25 CO -0.01 -0.25 0.23 -0.44 0.00 0.00 0.00 179.25 178.78 1jae h ASP 26 N 0.30 0.52 -0.87 0.00 3.32 -1.10 -2.79 116.42 115.79 1jae h ASP 26 Ca 0.19 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1jae h ASP 26 Cb 0.18 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1jae h ASP 26 CO -0.20 0.46 0.51 -0.08 -1.72 0.00 0.00 179.24 178.21 1jae h GLU 27 N 0.54 1.20 -0.63 3.56 4.57 -0.29 0.28 114.58 123.82 1jae h GLU 27 Ca 0.15 -0.12 0.05 0.00 -1.18 0.00 0.00 59.36 58.26 1jae h GLU 27 Cb 0.05 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.35 1jae h GLU 27 CO -0.02 0.85 0.36 0.00 -1.18 0.00 0.00 179.01 179.01 1jae h GLU 29 N 0.68 0.12 0.00 0.00 5.08 -1.20 -0.78 114.58 118.49 1jae h GLU 29 Ca 0.27 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1jae h GLU 29 Cb 0.12 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1jae h GLU 29 CO -0.15 0.88 -0.29 0.07 -1.00 0.00 0.00 179.01 178.52 1jae h ARG 30 N -0.58 0.00 0.00 2.33 0.11 -0.96 -3.42 114.38 111.86 1jae h ARG 30 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1jae h ARG 30 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 1jae h ARG 30 CO 0.04 0.25 -0.21 0.34 0.10 0.00 0.00 179.97 180.49 1jae n PHE 31 N -3.15 -0.04 -0.12 4.08 7.35 -0.44 -4.78 117.46 120.35 1jae n PHE 31 Ca 0.03 0.01 -0.08 0.00 -0.76 0.00 0.00 57.45 56.64 1jae n PHE 31 Cb 0.64 0.39 -0.00 0.00 0.35 0.00 0.00 39.48 40.86 1jae n PHE 31 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jae h LEU 32 N 0.00 0.46 0.56 -2.13 3.38 -1.17 -1.29 115.31 115.12 1jae h LEU 32 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jae h LEU 32 Cb 0.21 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jae h LEU 32 CO 0.00 0.34 -0.27 -0.61 0.09 0.00 0.00 178.44 177.99 1jae h GLN 33 N 0.53 -0.72 -0.75 1.13 4.15 -1.37 -1.42 115.11 116.67 1jae h GLN 33 Ca 0.14 0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.73 1jae h GLN 33 Cb -0.05 0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.75 1jae h GLN 33 CO -0.03 -0.43 0.50 -1.35 -1.93 0.00 0.00 178.83 175.58 1jae h PRO 34 N -0.87 0.54 -0.01 -2.39 0.11 -1.78 -1.58 132.00 126.02 1jae h PRO 34 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1jae h PRO 34 Cb 0.62 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1jae h PRO 34 CO 0.13 0.36 -0.06 1.04 -0.21 0.00 0.00 178.00 179.26 1jae n GLN 35 N -4.50 1.36 -1.36 1.05 1.13 -0.49 -4.96 117.38 109.62 1jae n GLN 35 Ca 0.13 -0.72 -0.00 0.00 -1.94 0.00 0.00 57.00 54.47 1jae n GLN 35 Cb 0.42 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.28 1jae n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jae n GLY 36 N 1.19 0.39 3.80 1.08 0.00 -0.59 -4.49 105.19 106.58 1jae n GLY 36 Ca 0.18 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 1jae n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jae s PHE 37 N -2.02 3.06 -0.11 1.61 0.40 -0.60 -2.59 117.98 117.74 1jae s PHE 37 Ca 0.00 1.56 0.15 0.00 -0.60 0.00 0.00 56.93 58.04 1jae s PHE 37 Cb 0.00 -3.01 -0.24 0.00 0.51 0.00 0.00 43.02 40.28 1jae s PHE 37 CO 0.00 -0.76 0.41 0.41 0.70 0.00 0.00 175.22 175.98 1jae n GLY 38 N -0.50 -1.00 3.84 4.36 0.00 0.23 -4.57 105.19 107.54 1jae n GLY 38 Ca 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1jae n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jae s GLY 39 N -5.26 0.05 -0.05 -0.02 0.00 -0.19 -1.29 107.32 100.56 1jae s GLY 39 Ca -0.07 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.40 1jae s GLY 39 CO 0.83 1.37 -0.08 0.14 0.00 0.00 0.00 173.10 175.36 1jae s VAL 40 N -2.51 0.77 -0.28 1.40 1.01 0.71 -0.37 120.40 121.12 1jae s VAL 40 Ca 0.18 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1jae s VAL 40 Cb -0.03 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1jae s VAL 40 CO 0.05 0.27 0.33 -1.58 0.00 0.00 0.00 175.10 174.18 1jae s GLN 41 N 0.74 3.95 0.35 2.72 0.74 0.56 -0.38 119.66 128.34 1jae s GLN 41 Ca -0.12 -0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.18 1jae s GLN 41 Cb -0.14 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 1jae s GLN 41 CO 0.02 -0.29 0.58 0.96 -0.55 0.00 0.00 175.29 176.00 1jae s ILE 42 N 2.00 5.06 0.73 -2.34 -4.36 -0.59 -2.26 121.20 119.45 1jae s ILE 42 Ca 0.13 -0.24 -0.12 0.00 -0.26 0.00 0.00 60.65 60.16 1jae s ILE 42 Cb -0.16 -3.83 0.03 0.00 1.25 0.00 0.00 42.46 39.76 1jae s ILE 42 CO 0.10 -0.53 1.09 -0.44 0.24 0.00 0.00 174.94 175.40 1jae s SER 43 N -3.81 4.85 -0.19 4.36 0.01 -1.26 -3.39 113.70 114.26 1jae s SER 43 Ca 0.42 1.81 -0.40 0.00 1.31 0.00 0.00 55.95 59.08 1jae s SER 43 Cb -0.10 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.44 1jae s SER 43 CO 0.36 -1.81 1.54 -2.65 0.41 0.00 0.00 173.24 171.09 1jae n PRO 44 N -3.19 0.83 0.00 12.44 -0.02 -1.26 -4.59 135.00 139.21 1jae n PRO 44 Ca 0.09 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1jae n PRO 44 Cb 0.53 -1.92 0.27 0.00 -0.02 0.00 0.00 33.50 32.36 1jae n PRO 44 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jae n PRO 45 N 3.98 0.56 -3.18 0.52 -0.04 -1.26 -4.94 135.00 130.64 1jae n PRO 45 Ca 0.24 -0.36 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1jae n PRO 45 Cb 0.11 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.04 1jae n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jae s ASN 46 N -2.68 6.52 0.04 3.54 4.22 -1.26 -3.40 114.94 121.91 1jae s ASN 46 Ca 0.19 0.92 -0.35 0.00 -2.14 0.00 0.00 52.86 51.48 1jae s ASN 46 Cb 0.18 -2.23 -0.13 0.00 1.28 0.00 0.00 41.25 40.35 1jae s ASN 46 CO 0.60 -0.24 1.68 1.21 -2.04 0.00 0.00 177.10 178.30 1jae n GLU 47 N -0.90 2.02 -4.47 3.55 2.13 0.16 -4.84 120.64 118.29 1jae n GLU 47 Ca 0.00 0.73 -0.23 0.00 0.66 0.00 0.00 57.16 58.33 1jae n GLU 47 Cb 0.54 -2.52 -0.10 0.00 0.27 0.00 0.00 31.44 29.63 1jae n GLU 47 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1jae s TYR 48 N 2.16 1.91 0.38 4.31 -0.85 -1.26 -0.52 117.35 123.48 1jae s TYR 48 Ca 0.85 -1.04 -0.27 0.00 -0.52 0.00 0.00 57.07 56.09 1jae s TYR 48 Cb -0.73 -1.26 -0.10 0.00 0.38 0.00 0.00 41.96 40.25 1jae s TYR 48 CO 0.45 -0.06 1.38 -1.17 -1.52 0.00 0.00 175.55 174.63 1jae s LEU 49 N -3.53 4.29 -0.50 -3.49 2.96 -0.12 -1.14 118.68 117.16 1jae s LEU 49 Ca 0.32 2.82 -0.19 0.00 -0.22 0.00 0.00 54.13 56.86 1jae s LEU 49 Cb 0.07 -3.76 0.05 0.00 0.50 0.00 0.00 46.19 43.05 1jae s LEU 49 CO 0.15 -0.81 0.64 -0.69 -1.32 0.00 0.00 176.35 174.31 1jae s VAL 50 N -1.17 4.85 0.07 1.68 1.01 -0.32 -4.67 120.40 121.85 1jae s VAL 50 Ca 0.54 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1jae s VAL 50 Cb -0.42 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1jae s VAL 50 CO 0.55 -0.79 0.18 0.00 0.00 0.00 0.00 175.10 175.04 1jae s ALA 51 N 2.69 3.88 -0.05 5.51 0.00 -1.26 -4.70 121.76 127.83 1jae s ALA 51 Ca 0.16 -0.90 -0.36 0.00 0.00 0.00 0.00 51.96 50.86 1jae s ALA 51 Cb -0.18 -1.71 -0.14 0.00 0.00 0.00 0.00 23.12 21.08 1jae s ALA 51 CO 0.13 0.79 1.66 -3.47 0.00 0.00 0.00 175.76 174.87 1jae n ASP 52 N 0.29 2.69 0.00 0.00 -0.08 -1.26 -0.37 116.55 117.82 1jae n ASP 52 Ca -0.06 1.06 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 1jae n ASP 52 Cb 0.51 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 42.69 1jae n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jae n GLY 53 N 3.73 1.68 3.51 0.27 0.00 -1.26 -4.34 105.19 108.78 1jae n GLY 53 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1jae n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jae n ARG 54 N -2.00 -2.75 -1.24 1.61 5.12 0.50 -4.66 116.66 113.24 1jae n ARG 54 Ca 0.00 0.67 -0.31 0.00 -1.93 0.00 0.00 57.85 56.28 1jae n ARG 54 Cb 0.00 -5.10 0.11 0.00 -1.16 0.00 0.00 32.46 26.31 1jae n ARG 54 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1jae s PRO 55 N -5.35 1.94 0.42 5.56 0.04 -1.26 -4.03 135.00 132.32 1jae s PRO 55 Ca 0.34 1.07 0.10 0.00 0.04 0.00 0.00 61.00 62.55 1jae s PRO 55 Cb -0.08 -1.87 0.92 0.00 0.04 0.00 0.00 34.50 33.51 1jae s PRO 55 CO 0.80 -1.84 2.01 0.11 0.04 0.00 0.00 177.00 178.12 1jae h TRP 56 N -1.26 0.25 0.00 0.56 5.08 -1.68 -2.90 115.95 116.00 1jae h TRP 56 Ca -0.45 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.51 1jae h TRP 56 Cb 1.25 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1jae h TRP 56 CO 0.53 0.27 0.00 -2.67 -1.28 0.00 0.00 178.44 175.29 1jae n TRP 57 N -4.39 0.12 0.27 0.12 4.27 -1.26 -2.77 117.44 113.80 1jae n TRP 57 Ca -0.00 0.05 0.12 0.00 -3.89 0.00 0.00 57.50 53.77 1jae n TRP 57 Cb 0.17 -0.58 0.75 0.00 -1.36 0.00 0.00 31.31 30.29 1jae n TRP 57 CO 0.00 0.00 0.00 1.05 -2.29 0.00 0.00 177.69 176.45 1jae h GLU 58 N 0.00 0.00 0.00 -2.67 4.11 -1.81 -1.56 114.58 112.65 1jae h GLU 58 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jae h GLU 58 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1jae h GLU 58 CO 0.00 0.08 0.00 0.00 0.07 0.00 0.00 179.01 179.16 1jae h ARG 59 N 0.00 0.00 -0.64 1.06 3.08 -1.75 -2.41 114.38 113.72 1jae h ARG 59 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jae h ARG 59 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1jae h ARG 59 CO 0.01 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.57 1jae n TYR 60 N -2.75 1.77 -3.73 3.04 4.01 -0.59 -4.55 117.16 114.36 1jae n TYR 60 Ca -0.01 -0.62 -0.28 0.00 -0.16 0.00 0.00 57.90 56.83 1jae n TYR 60 Cb 0.14 -0.44 -0.12 0.00 -0.31 0.00 0.00 39.34 38.61 1jae n TYR 60 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1jae s GLN 61 N -2.46 1.70 0.45 -0.72 -0.21 -0.91 -4.93 119.66 112.58 1jae s GLN 61 Ca 0.47 -2.57 -0.25 0.00 0.02 0.00 0.00 55.36 53.03 1jae s GLN 61 Cb 0.35 -2.63 -0.09 0.00 1.00 0.00 0.00 33.01 31.65 1jae s GLN 61 CO 0.15 -1.25 1.38 -2.30 -2.12 0.00 0.00 175.29 171.15 1jae n PRO 62 N 2.79 2.12 -0.02 2.91 -0.02 -1.22 -0.94 135.00 140.61 1jae n PRO 62 Ca 0.17 0.76 -0.02 0.00 -2.02 0.00 0.00 63.50 62.38 1jae n PRO 62 Cb 0.37 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 1jae n PRO 62 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jae n VAL 63 N -0.27 0.25 -3.49 -1.45 0.31 0.32 -3.36 118.33 110.65 1jae n VAL 63 Ca 0.06 -0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 64.22 1jae n VAL 63 Cb 0.41 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.47 1jae n VAL 63 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jae n SER 64 N -2.18 -0.59 -0.97 4.52 3.41 -1.00 -4.64 113.62 112.17 1jae n SER 64 Ca -0.06 -1.34 0.08 0.00 -0.26 0.00 0.00 58.87 57.29 1jae n SER 64 Cb 0.62 0.96 0.27 0.00 -0.26 0.00 0.00 64.21 65.80 1jae n SER 64 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1jae n TYR 65 N -0.21 1.03 -2.43 7.33 4.01 -1.26 -3.41 117.16 122.22 1jae n TYR 65 Ca -0.01 -0.85 -0.42 0.00 -0.16 0.00 0.00 57.90 56.46 1jae n TYR 65 Cb 0.18 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 1jae n TYR 65 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1jae s ILE 66 N -2.75 4.07 -1.18 -0.72 1.01 -1.26 -4.74 121.20 115.64 1jae s ILE 66 Ca 0.43 1.48 -0.19 0.00 0.00 0.00 0.00 60.65 62.37 1jae s ILE 66 Cb 0.34 -3.95 0.09 0.00 0.01 0.00 0.00 42.46 38.95 1jae s ILE 66 CO 0.10 0.10 1.56 -0.63 0.00 0.00 0.00 174.94 176.06 1jae s ILE 67 N 1.20 4.28 -0.29 2.92 -1.09 -1.26 0.37 121.20 127.32 1jae s ILE 67 Ca 0.58 -1.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.32 1jae s ILE 67 Cb -0.29 -5.08 0.19 0.00 -1.58 0.00 0.00 42.46 35.71 1jae s ILE 67 CO 0.28 -1.89 0.57 0.21 -1.23 0.00 0.00 174.94 172.89 1jae s ASN 68 N 4.13 -1.31 0.18 3.58 2.47 -1.22 -2.47 114.94 120.30 1jae s ASN 68 Ca 0.48 0.46 0.03 0.00 0.42 0.00 0.00 52.86 54.26 1jae s ASN 68 Cb 0.01 2.00 -0.01 0.00 -1.45 0.00 0.00 41.25 41.79 1jae s ASN 68 CO 0.00 -0.29 0.16 0.35 -3.72 0.00 0.00 177.10 173.61 1jae n THR 69 N 5.42 0.00 0.30 -5.21 -2.24 -0.78 -4.19 114.28 107.58 1jae n THR 69 Ca 0.02 -1.24 0.15 0.00 -2.27 0.00 0.00 64.05 60.71 1jae n THR 69 Cb 0.52 0.63 0.69 0.00 -2.10 0.00 0.00 70.33 70.08 1jae n THR 69 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1jae h ARG 70 N 0.00 0.00 0.00 -0.78 3.08 -1.95 -0.85 114.38 113.88 1jae h ARG 70 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1jae h ARG 70 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1jae h ARG 70 CO 0.18 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 179.85 1jae h SER 71 N 0.00 0.00 -4.30 7.04 0.02 -1.92 -3.43 113.55 110.95 1jae h SER 71 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jae h SER 71 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1jae h SER 71 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1jae n GLY 72 N 1.18 1.51 0.17 -3.77 0.00 -0.32 -1.07 105.19 102.89 1jae n GLY 72 Ca 0.05 -2.01 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 1jae n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jae n ASP 73 N 0.00 0.08 0.04 1.61 5.68 -1.26 -1.86 116.55 120.84 1jae n ASP 73 Ca 0.00 -1.06 -0.04 0.00 -0.50 0.00 0.00 54.79 53.19 1jae n ASP 73 Cb 0.00 -0.02 0.19 0.00 -1.14 0.00 0.00 41.12 40.15 1jae n ASP 73 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1jae h GLU 74 N 0.00 0.40 -0.27 0.11 4.81 -1.90 -0.62 114.58 117.11 1jae h GLU 74 Ca -0.01 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 1jae h GLU 74 Cb 0.06 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1jae h GLU 74 CO 0.02 0.70 -0.40 0.66 -0.73 0.00 0.00 179.01 179.26 1jae h SER 75 N 0.34 0.68 -0.38 1.04 4.64 -1.95 0.17 113.55 118.09 1jae h SER 75 Ca 0.04 -0.30 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1jae h SER 75 Cb 0.78 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1jae h SER 75 CO 0.06 1.00 -0.17 0.00 -0.87 0.00 0.00 176.83 176.85 1jae h ALA 76 N 1.03 0.86 -0.37 5.18 0.00 -1.87 -1.56 119.26 122.54 1jae h ALA 76 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1jae h ALA 76 Cb 0.92 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1jae h ALA 76 CO 0.08 0.64 0.17 0.35 0.00 0.00 0.00 179.25 180.49 1jae h PHE 77 N 0.75 0.54 -0.01 0.00 3.04 -0.66 -1.90 116.94 118.71 1jae h PHE 77 Ca 0.11 -0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.92 1jae h PHE 77 Cb 0.70 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1jae h PHE 77 CO 0.04 0.48 -0.52 1.79 -2.02 0.00 0.00 178.31 178.08 1jae h THR 78 N 0.45 1.37 -0.69 4.41 1.35 -0.79 -1.04 112.91 117.97 1jae h THR 78 Ca 0.13 -1.78 -0.06 0.00 -0.55 0.00 0.00 66.41 64.14 1jae h THR 78 Cb 0.15 1.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 1jae h THR 78 CO -0.01 0.51 0.19 -0.78 -0.25 0.00 0.00 175.52 175.18 1jae h ASP 79 N 0.03 1.03 -0.20 5.36 3.58 -1.06 -0.91 116.42 124.24 1jae h ASP 79 Ca -0.00 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.20 1jae h ASP 79 Cb 0.93 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1jae h ASP 79 CO 0.07 0.98 0.03 -0.03 -2.88 0.00 0.00 179.24 177.40 1jae h MET 80 N 1.02 0.34 -0.41 0.28 4.05 -0.77 -1.13 114.93 118.32 1jae h MET 80 Ca 0.22 -0.09 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 1jae h MET 80 Cb 0.33 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1jae h MET 80 CO -0.00 0.50 -0.13 1.79 0.23 0.00 0.00 176.91 179.29 1jae h THR 81 N 0.13 1.26 0.35 -0.77 1.35 -1.08 0.10 112.91 114.25 1jae h THR 81 Ca 0.06 -1.19 -0.02 0.00 -0.55 0.00 0.00 66.41 64.72 1jae h THR 81 Cb 0.33 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1jae h THR 81 CO 0.00 0.40 -0.17 -0.09 -0.25 0.00 0.00 175.52 175.42 1jae h ARG 82 N 0.67 -0.45 -0.52 4.72 9.65 -1.10 -1.55 114.38 125.78 1jae h ARG 82 Ca 0.11 0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.94 1jae h ARG 82 Cb 0.61 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 1jae h ARG 82 CO 0.04 -0.21 0.01 0.00 2.80 0.00 0.00 179.97 182.61 1jae h ARG 83 N -0.63 0.92 -0.14 0.20 3.08 -1.12 -0.72 114.38 115.97 1jae h ARG 83 Ca -0.05 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1jae h ARG 83 Cb 0.46 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1jae h ARG 83 CO 0.08 0.94 -0.03 0.00 -1.07 0.00 0.00 179.97 179.88 1jae h ASN 85 N -0.03 0.88 0.30 0.00 2.35 -1.20 0.95 115.58 118.84 1jae h ASN 85 Ca 0.04 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1jae h ASN 85 Cb 0.46 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1jae h ASN 85 CO 0.01 0.69 -0.26 0.44 -1.65 0.00 0.00 177.43 176.66 1jae h ASP 86 N 1.01 0.00 -0.25 5.81 3.32 -0.99 -1.02 116.42 124.30 1jae h ASP 86 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1jae h ASP 86 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1jae h ASP 86 CO -0.05 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 1jae n ALA 87 N -2.45 2.48 -1.61 3.45 0.00 -0.33 -4.91 120.51 117.13 1jae n ALA 87 Ca -0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 53.44 52.81 1jae n ALA 87 Cb 0.32 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1jae n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jae n GLY 88 N 1.03 0.66 3.19 0.00 0.00 -0.39 -4.59 105.19 105.09 1jae n GLY 88 Ca 0.12 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1jae n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jae s VAL 89 N -2.38 2.69 0.55 1.61 1.01 0.18 -4.32 120.40 119.74 1jae s VAL 89 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1jae s VAL 89 Cb 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 1jae s VAL 89 CO 0.00 0.36 1.01 -0.13 0.00 0.00 0.00 175.10 176.34 1jae s ARG 90 N 1.34 3.75 -0.15 2.72 1.81 -0.41 -3.05 118.95 124.96 1jae s ARG 90 Ca 0.03 0.95 0.00 0.00 -1.72 0.00 0.00 55.73 54.99 1jae s ARG 90 Cb -0.15 -2.10 -0.00 0.00 -0.45 0.00 0.00 34.95 32.24 1jae s ARG 90 CO -0.07 -0.44 -0.15 0.42 -0.68 0.00 0.00 175.30 174.38 1jae s ILE 91 N -2.73 2.72 -0.16 1.52 -1.09 -1.26 -0.21 121.20 119.99 1jae s ILE 91 Ca 0.59 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 58.24 1jae s ILE 91 Cb -0.11 -2.14 -0.00 0.00 -1.58 0.00 0.00 42.46 38.63 1jae s ILE 91 CO 0.38 0.52 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.16 1jae s TYR 92 N 0.68 2.81 -0.01 3.97 2.02 0.49 -0.19 117.35 127.11 1jae s TYR 92 Ca -0.08 -0.95 -0.22 0.00 -0.37 0.00 0.00 57.07 55.46 1jae s TYR 92 Cb -0.16 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 1jae s TYR 92 CO 0.02 -0.43 0.64 0.08 -1.57 0.00 0.00 175.55 174.29 1jae s VAL 93 N 0.79 4.92 -0.62 0.71 1.01 -0.33 -1.54 120.40 125.34 1jae s VAL 93 Ca -0.05 1.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.99 1jae s VAL 93 Cb -0.15 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1jae s VAL 93 CO 0.01 0.37 1.18 -0.62 0.00 0.00 0.00 175.10 176.04 1jae s ASP 94 N 0.08 6.35 -0.43 3.32 -1.08 -1.22 -0.46 116.67 123.22 1jae s ASP 94 Ca 0.33 -0.14 -0.20 0.00 -0.52 0.00 0.00 52.55 52.02 1jae s ASP 94 Cb -0.18 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.76 1jae s ASP 94 CO 0.18 -1.55 0.60 0.00 0.52 0.00 0.00 175.17 174.91 1jae s ALA 95 N 5.02 3.37 -0.67 3.66 0.00 0.32 -4.30 121.76 129.16 1jae s ALA 95 Ca 0.39 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 1jae s ALA 95 Cb -0.09 -3.24 0.17 0.00 0.00 0.00 0.00 23.12 19.96 1jae s ALA 95 CO 0.21 -1.73 0.60 0.08 0.00 0.00 0.00 175.76 174.92 1jae s VAL 96 N 2.66 5.12 0.00 0.00 1.01 -1.26 -1.29 120.40 126.64 1jae s VAL 96 Ca 0.20 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 60.05 1jae s VAL 96 Cb -0.15 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1jae s VAL 96 CO 0.18 -0.93 0.76 2.30 0.00 0.00 0.00 175.10 177.41 1jae n ILE 97 N 4.44 0.55 0.06 2.22 -5.35 -1.26 -4.69 119.36 115.33 1jae n ILE 97 Ca 0.02 -0.75 -0.03 0.00 -0.27 0.00 0.00 62.75 61.72 1jae n ILE 97 Cb 0.43 0.75 -0.07 0.00 -1.74 0.00 0.00 39.64 39.00 1jae n ILE 97 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1jae h ASN 98 N 0.00 0.00 -5.24 7.28 -1.24 -1.88 -3.45 115.58 111.04 1jae h ASN 98 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 1jae h ASN 98 Cb 0.31 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.32 1jae h ASN 98 CO 0.00 0.76 0.05 -1.38 -1.29 0.00 0.00 177.43 175.57 1jae s HIS 99 N -2.81 0.52 0.00 0.67 -3.43 -1.26 -1.46 115.29 107.52 1jae s HIS 99 Ca 0.00 -0.98 0.00 0.00 -0.80 0.00 0.00 55.06 53.28 1jae s HIS 99 Cb 0.09 0.40 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 1jae s HIS 99 CO 0.80 -1.33 0.00 -1.33 -2.00 0.00 0.00 174.74 170.87 1jae n MET 100 N -0.53 0.00 -3.50 -0.38 2.81 -0.65 -4.42 117.12 110.45 1jae n MET 100 Ca -0.04 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.66 1jae n MET 100 Cb 0.61 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.11 1jae n MET 100 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1jae s THR 101 N 3.17 3.87 -1.67 2.03 -4.23 -1.21 -3.46 115.64 114.13 1jae s THR 101 Ca 0.00 -1.07 0.15 0.00 -1.18 0.00 0.00 61.69 59.59 1jae s THR 101 Cb 0.00 -3.33 0.20 0.00 1.34 0.00 0.00 72.50 70.71 1jae s THR 101 CO 0.00 -0.15 1.08 0.61 -0.54 0.00 0.00 174.62 175.63 1jae n GLY 102 N -1.61 0.83 3.60 3.99 0.00 -1.26 -1.58 105.19 109.17 1jae n GLY 102 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1jae n GLY 102 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jae s MET 103 N -1.17 1.46 0.53 1.61 0.23 -1.26 -4.80 119.30 115.90 1jae s MET 103 Ca 0.21 -0.67 -0.19 0.00 -1.03 0.00 0.00 55.69 54.02 1jae s MET 103 Cb 0.13 0.58 -0.06 0.00 -1.53 0.00 0.00 34.83 33.95 1jae s MET 103 CO 0.19 -0.65 1.07 -0.80 -2.03 0.00 0.00 175.02 172.80 1jae s ASN 104 N -2.81 6.02 0.00 -1.18 -0.87 -1.26 -4.24 114.94 110.60 1jae s ASN 104 Ca 0.05 1.97 0.00 0.00 -1.57 0.00 0.00 52.86 53.31 1jae s ASN 104 Cb -0.03 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.64 1jae s ASN 104 CO -0.05 -1.00 0.00 0.61 -2.57 0.00 0.00 177.10 174.09 1jae n GLY 105 N -0.32 -0.54 3.13 0.66 0.00 -0.42 -4.97 105.19 102.74 1jae n GLY 105 Ca 0.10 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1jae n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jae s VAL 106 N -3.05 0.96 0.74 1.61 0.11 -1.26 -1.08 120.40 118.41 1jae s VAL 106 Ca 0.00 -1.13 -0.05 0.00 -2.93 0.00 0.00 61.98 57.87 1jae s VAL 106 Cb 0.00 -0.92 0.11 0.00 -1.53 0.00 0.00 36.38 34.03 1jae s VAL 106 CO 0.00 -0.18 1.03 -0.83 -3.33 0.00 0.00 175.10 171.79 1jae s GLY 107 N -1.47 1.75 0.24 6.54 0.00 0.67 -1.18 107.32 113.87 1jae s GLY 107 Ca -0.03 -1.32 0.19 0.00 0.00 0.00 0.00 44.72 43.56 1jae s GLY 107 CO 0.01 -0.81 1.57 -1.30 0.00 0.00 0.00 173.10 172.58 1jae n THR 108 N -2.96 1.11 -0.63 0.90 -2.24 -0.29 -1.01 114.28 109.15 1jae n THR 108 Ca 0.12 0.52 0.07 0.00 -2.27 0.00 0.00 64.05 62.49 1jae n THR 108 Cb 0.60 -1.49 0.20 0.00 -2.10 0.00 0.00 70.33 67.54 1jae n THR 108 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1jae n SER 109 N -2.10 3.33 0.00 3.42 2.88 -1.26 -4.79 113.62 115.10 1jae n SER 109 Ca 0.00 -2.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 1jae n SER 109 Cb 0.10 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1jae n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jae n GLY 110 N -0.17 1.11 3.77 0.46 0.00 -0.18 -5.04 105.19 105.13 1jae n GLY 110 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1jae n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jae s SER 111 N -3.08 5.47 0.16 1.61 0.01 -1.26 -4.64 113.70 111.97 1jae s SER 111 Ca 0.00 2.23 -0.23 0.00 1.31 0.00 0.00 55.95 59.25 1jae s SER 111 Cb 0.00 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.57 1jae s SER 111 CO 0.00 -1.39 0.73 -0.44 0.41 0.00 0.00 173.24 172.55 1jae s SER 112 N -1.80 7.27 -0.32 2.44 0.01 -1.26 -0.24 113.70 119.81 1jae s SER 112 Ca 0.74 1.54 0.03 0.00 1.31 0.00 0.00 55.95 59.57 1jae s SER 112 Cb -0.26 -2.46 0.09 0.00 0.21 0.00 0.00 66.02 63.61 1jae s SER 112 CO 0.30 0.19 0.02 0.00 0.41 0.00 0.00 173.24 174.17 1jae s ALA 113 N -1.21 2.66 -0.84 1.44 0.00 -0.24 -4.21 121.76 119.36 1jae s ALA 113 Ca 0.36 -2.27 -0.13 0.00 0.00 0.00 0.00 51.96 49.92 1jae s ALA 113 Cb -0.21 -1.85 0.22 0.00 0.00 0.00 0.00 23.12 21.28 1jae s ALA 113 CO 0.24 -1.58 0.78 0.34 0.00 0.00 0.00 175.76 175.54 1jae s ASP 114 N 1.03 6.76 0.09 0.00 2.15 0.18 -1.30 116.67 125.58 1jae s ASP 114 Ca 0.07 -2.77 -0.19 0.00 0.43 0.00 0.00 52.55 50.09 1jae s ASP 114 Cb -0.19 -2.20 -0.08 0.00 -0.30 0.00 0.00 42.92 40.15 1jae s ASP 114 CO -0.09 -0.54 1.57 -0.74 -0.17 0.00 0.00 175.17 175.19 1jae h HIS 115 N 7.67 0.43 -0.49 -5.34 -0.00 -1.81 0.64 115.15 116.24 1jae h HIS 115 Ca 0.11 -0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.49 1jae h HIS 115 Cb 1.03 -0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 28.26 1jae h HIS 115 CO 1.01 0.52 0.16 -0.44 -0.00 0.00 0.00 177.93 179.18 1jae h ASP 116 N 0.21 0.15 -0.35 3.26 5.19 -1.90 -2.18 116.42 120.80 1jae h ASP 116 Ca 0.07 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1jae h ASP 116 Cb 0.32 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1jae h ASP 116 CO 0.00 0.12 0.00 0.61 -3.12 0.00 0.00 179.24 176.85 1jae n GLY 117 N -1.26 1.41 3.73 2.75 0.00 -1.22 -4.95 105.19 105.64 1jae n GLY 117 Ca 0.05 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 1jae n GLY 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jae n MET 118 N 1.23 -5.32 -4.54 1.61 2.81 -0.07 -4.34 117.12 108.51 1jae n MET 118 Ca 0.19 0.64 -0.33 0.00 -1.81 0.00 0.00 57.70 56.39 1jae n MET 118 Cb 0.54 -5.33 -0.16 0.00 -0.71 0.00 0.00 33.22 27.57 1jae n MET 118 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1jae s ASN 119 N -4.07 3.41 -0.51 7.83 0.01 0.02 -2.21 114.94 119.41 1jae s ASN 119 Ca 0.18 -0.54 0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1jae s ASN 119 Cb -0.09 -1.51 0.16 0.00 0.41 0.00 0.00 41.25 40.22 1jae s ASN 119 CO 0.81 0.07 0.37 -0.31 -1.51 0.00 0.00 177.10 176.53 1jae s TYR 120 N 0.87 2.03 0.37 2.20 2.02 -0.41 -0.64 117.35 123.79 1jae s TYR 120 Ca -0.05 -2.65 0.15 0.00 -0.37 0.00 0.00 57.07 54.15 1jae s TYR 120 Cb -0.15 -1.65 1.02 0.00 -0.40 0.00 0.00 41.96 40.77 1jae s TYR 120 CO -0.02 -0.73 1.77 -1.35 -1.57 0.00 0.00 175.55 173.65 1jae h PRO 121 N 5.77 0.46 0.00 -1.71 0.11 -1.77 -0.20 132.00 134.66 1jae h PRO 121 Ca 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1jae h PRO 121 Cb 0.86 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1jae h PRO 121 CO 0.50 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 1jae n ALA 122 N -2.43 1.75 -0.04 -0.75 0.00 -1.26 -3.87 120.51 113.90 1jae n ALA 122 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 1jae n ALA 122 Cb 0.80 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.92 1jae n ALA 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jae h VAL 123 N 0.00 0.00 -2.75 0.00 2.07 -1.71 -3.45 116.25 110.41 1jae h VAL 123 Ca 0.00 -0.80 -0.58 0.00 0.82 0.00 0.00 66.70 66.14 1jae h VAL 123 Cb 0.34 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1jae h VAL 123 CO 0.00 0.00 -0.49 -2.16 0.02 0.00 0.00 177.57 174.94 1jae s PRO 124 N -1.60 3.40 0.04 1.57 0.04 -1.25 -5.02 135.00 132.17 1jae s PRO 124 Ca -0.03 -0.54 0.07 0.00 0.04 0.00 0.00 61.00 60.53 1jae s PRO 124 Cb 0.00 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1jae s PRO 124 CO 0.05 0.56 -0.19 0.71 0.04 0.00 0.00 177.00 178.18 1jae s TYR 125 N -1.62 1.65 0.42 0.56 2.02 -0.13 -4.99 117.35 115.27 1jae s TYR 125 Ca 0.34 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1jae s TYR 125 Cb -0.12 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 1jae s TYR 125 CO 0.28 0.07 0.10 0.20 -1.57 0.00 0.00 175.55 174.63 1jae s GLY 126 N -1.10 2.67 0.50 0.71 0.00 -1.25 -1.28 107.32 107.57 1jae s GLY 126 Ca 0.06 -1.12 0.24 0.00 0.00 0.00 0.00 44.72 43.90 1jae s GLY 126 CO 0.01 -1.90 1.95 1.48 0.00 0.00 0.00 173.10 174.64 1jae h SER 127 N 1.72 0.11 0.37 1.64 4.64 -1.64 0.35 113.55 120.74 1jae h SER 127 Ca -0.37 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1jae h SER 127 Cb 1.28 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1jae h SER 127 CO 0.61 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1jae n GLY 128 N -1.63 -0.86 0.86 -0.77 0.00 -1.26 -2.29 105.19 99.24 1jae n GLY 128 Ca 0.13 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1jae n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jae n ASP 129 N -1.39 2.69 -4.60 1.61 8.00 0.11 -4.95 116.55 118.03 1jae n ASP 129 Ca 0.05 -1.89 -0.23 0.00 0.71 0.00 0.00 54.79 53.43 1jae n ASP 129 Cb 0.14 0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.16 1jae n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jae s PHE 130 N -2.01 2.57 0.47 1.24 0.40 -0.97 -1.16 117.98 118.52 1jae s PHE 130 Ca 0.30 -0.28 -0.21 0.00 -0.60 0.00 0.00 56.93 56.14 1jae s PHE 130 Cb 0.20 -1.18 -0.09 0.00 0.51 0.00 0.00 43.02 42.47 1jae s PHE 130 CO 0.31 0.63 1.03 -1.01 0.70 0.00 0.00 175.22 176.88 1jae s HIS 131 N -2.40 3.06 0.26 0.36 3.76 0.40 -4.72 115.29 116.01 1jae s HIS 131 Ca 0.32 1.59 -0.31 0.00 -0.15 0.00 0.00 55.06 56.51 1jae s HIS 131 Cb -0.05 -3.05 -0.12 0.00 1.11 0.00 0.00 32.58 30.47 1jae s HIS 131 CO 0.19 -0.73 1.66 -1.54 -0.85 0.00 0.00 174.74 173.47 1jae s SER 132 N -1.95 6.35 0.14 1.40 1.04 -1.26 -4.78 113.70 114.65 1jae s SER 132 Ca 0.66 2.94 -0.34 0.00 0.48 0.00 0.00 55.95 59.68 1jae s SER 132 Cb -0.16 -2.62 -0.16 0.00 0.10 0.00 0.00 66.02 63.18 1jae s SER 132 CO 0.20 -0.95 1.28 -2.65 0.98 0.00 0.00 173.24 172.10 1jae n PRO 133 N 2.91 1.28 -3.54 4.02 -0.02 -1.26 -4.87 135.00 133.52 1jae n PRO 133 Ca 0.11 0.46 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 1jae n PRO 133 Cb 0.36 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1jae n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jae s GLU 135 N -3.21 3.53 -0.23 0.00 2.12 -1.26 -0.37 118.70 119.28 1jae s GLU 135 Ca 0.06 -0.21 -0.29 0.00 0.36 0.00 0.00 54.97 54.89 1jae s GLU 135 Cb -0.01 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.22 1jae s GLU 135 CO -0.07 0.64 1.23 0.08 -0.54 0.00 0.00 175.26 176.60 1jae s VAL 136 N -0.66 4.31 0.00 3.70 1.01 -0.67 -4.75 120.40 123.34 1jae s VAL 136 Ca 0.12 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1jae s VAL 136 Cb -0.12 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1jae s VAL 136 CO 0.02 -0.28 0.20 -0.46 0.00 0.00 0.00 175.10 174.58 1jae n ASN 137 N 6.92 0.00 -3.46 3.32 2.04 -1.26 -4.81 115.26 118.01 1jae n ASN 137 Ca 0.14 -1.00 -0.22 0.00 -0.44 0.00 0.00 54.58 53.06 1jae n ASN 137 Cb 0.46 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.59 1jae n ASN 137 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1jae s ASN 138 N 0.00 2.43 0.00 0.53 2.47 -1.26 -4.98 114.94 114.12 1jae s ASN 138 Ca 0.00 -0.98 0.23 0.00 0.42 0.00 0.00 52.86 52.53 1jae s ASN 138 Cb 0.00 0.16 1.37 0.00 -1.45 0.00 0.00 41.25 41.33 1jae s ASN 138 CO 0.00 -0.41 1.76 -1.22 -3.72 0.00 0.00 177.10 173.51 1jae n TYR 139 N 5.28 0.00 0.79 0.43 4.02 -1.26 -1.59 117.16 124.83 1jae n TYR 139 Ca -0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.97 1jae n TYR 139 Cb 0.45 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 40.01 1jae n TYR 139 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1jae n GLN 140 N -0.96 2.24 -3.90 -0.72 1.13 -1.26 -0.82 117.38 113.10 1jae n GLN 140 Ca 0.17 -1.85 -0.30 0.00 -1.94 0.00 0.00 57.00 53.08 1jae n GLN 140 Cb 0.08 -1.48 -0.15 0.00 0.11 0.00 0.00 30.24 28.80 1jae n GLN 140 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jae s ASP 141 N -1.70 4.44 0.25 1.08 -1.08 -0.62 -4.64 116.67 114.40 1jae s ASP 141 Ca 0.34 -2.05 -0.03 0.00 -0.52 0.00 0.00 52.55 50.30 1jae s ASP 141 Cb 0.21 -1.34 0.46 0.00 -1.46 0.00 0.00 42.92 40.79 1jae s ASP 141 CO 0.30 -0.38 1.80 0.00 0.52 0.00 0.00 175.17 177.41 1jae h ALA 142 N 7.67 1.25 -0.03 3.66 0.00 -1.83 -1.50 119.26 128.48 1jae h ALA 142 Ca -0.07 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1jae h ALA 142 Cb 1.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1jae h ALA 142 CO 0.51 0.06 -0.37 -0.44 0.00 0.00 0.00 179.25 179.01 1jae h ASP 143 N 0.77 0.06 -0.32 0.00 3.32 -1.95 -1.26 116.42 117.04 1jae h ASP 143 Ca 0.43 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.37 1jae h ASP 143 Cb 0.46 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1jae h ASP 143 CO -0.28 0.43 -0.14 -1.13 -1.72 0.00 0.00 179.24 176.39 1jae h ASN 144 N 0.05 0.68 -0.73 6.45 -0.73 -1.59 0.16 115.58 119.86 1jae h ASN 144 Ca 0.00 -0.40 -0.04 0.00 1.87 0.00 0.00 56.30 57.73 1jae h ASN 144 Cb 0.68 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 1jae h ASN 144 CO 0.05 0.93 0.30 0.58 -0.37 0.00 0.00 177.43 178.92 1jae h VAL 145 N 0.43 1.25 0.09 2.57 2.07 -1.08 -2.60 116.25 118.97 1jae h VAL 145 Ca 0.07 -0.78 -0.31 0.00 0.82 0.00 0.00 66.70 66.51 1jae h VAL 145 Cb 0.67 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1jae h VAL 145 CO 0.04 0.31 -1.64 0.03 0.02 0.00 0.00 177.57 176.34 1jae h ARG 146 N 1.05 0.18 -0.01 1.57 3.08 -1.20 -3.40 114.38 115.65 1jae h ARG 146 Ca 0.25 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1jae h ARG 146 Cb 0.20 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1jae h ARG 146 CO -0.02 0.98 -0.56 0.09 -1.07 0.00 0.00 179.97 179.39 1jae n ASN 147 N -3.36 1.55 -4.92 7.04 3.02 0.54 -4.62 115.26 114.51 1jae n ASN 147 Ca -0.19 -1.23 -0.21 0.00 -0.03 0.00 0.00 54.58 52.93 1jae n ASN 147 Cb 1.04 0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 40.73 1jae n ASN 147 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jae s GLU 149 N -4.25 4.42 -0.37 0.00 2.02 0.51 -4.70 118.70 116.33 1jae s GLU 149 Ca 0.48 1.33 -0.28 0.00 0.02 0.00 0.00 54.97 56.53 1jae s GLU 149 Cb -0.04 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.67 1jae s GLU 149 CO 0.29 -0.29 1.03 -1.17 0.02 0.00 0.00 175.26 175.14 1jae s LEU 150 N 1.93 3.89 -1.59 1.80 2.96 -1.25 -1.67 118.68 124.74 1jae s LEU 150 Ca 0.47 0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 55.03 1jae s LEU 150 Cb -0.18 -3.44 0.09 0.00 0.50 0.00 0.00 46.19 43.16 1jae s LEU 150 CO 0.18 -0.95 0.54 1.33 -1.32 0.00 0.00 176.35 176.13 1jae n VAL 151 N 6.11 -1.66 -0.95 1.68 0.24 -1.26 -1.26 118.33 121.24 1jae n VAL 151 Ca 0.10 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1jae n VAL 151 Cb 0.48 -1.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.00 1jae n VAL 151 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jae n GLY 152 N -1.74 1.03 3.67 7.63 0.00 -1.26 -4.91 105.19 109.60 1jae n GLY 152 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1jae n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jae s LEU 153 N 0.00 4.18 -0.15 0.99 1.43 -0.39 -4.28 118.68 120.47 1jae s LEU 153 Ca 0.00 1.64 -0.37 0.00 -1.03 0.00 0.00 54.13 54.37 1jae s LEU 153 Cb 0.00 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.54 1jae s LEU 153 CO 0.00 -0.70 1.79 0.54 0.23 0.00 0.00 176.35 178.20 1jae n ARG 154 N 6.26 1.71 -2.95 1.70 5.12 -0.61 -3.96 116.66 123.92 1jae n ARG 154 Ca 0.13 0.63 -0.43 0.00 -1.93 0.00 0.00 57.85 56.25 1jae n ARG 154 Cb 0.45 -2.39 -0.05 0.00 -1.16 0.00 0.00 32.46 29.31 1jae n ARG 154 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1jae s ASP 155 N 3.53 6.42 0.48 0.55 2.15 -1.26 -1.64 116.67 126.90 1jae s ASP 155 Ca 0.94 -0.08 -0.23 0.00 0.43 0.00 0.00 52.55 53.61 1jae s ASP 155 Cb -0.86 -2.39 -0.07 0.00 -0.30 0.00 0.00 42.92 39.30 1jae s ASP 155 CO 0.56 -0.92 1.29 -0.76 -0.17 0.00 0.00 175.17 175.18 1jae s LEU 156 N 3.31 4.01 -0.74 -1.34 1.43 -0.54 -0.45 118.68 124.36 1jae s LEU 156 Ca 0.30 2.60 -0.15 0.00 -1.03 0.00 0.00 54.13 55.86 1jae s LEU 156 Cb -0.12 -4.15 0.18 0.00 0.03 0.00 0.00 46.19 42.13 1jae s LEU 156 CO 0.23 -1.17 0.71 0.21 0.23 0.00 0.00 176.35 176.56 1jae s ASN 157 N -1.00 6.55 0.00 2.29 2.47 -0.31 -4.60 114.94 120.34 1jae s ASN 157 Ca 0.65 -2.29 0.15 0.00 0.42 0.00 0.00 52.86 51.79 1jae s ASN 157 Cb -0.36 -2.23 0.90 0.00 -1.45 0.00 0.00 41.25 38.11 1jae s ASN 157 CO 0.44 -0.73 1.39 0.00 -3.72 0.00 0.00 177.10 174.48 1jae n GLN 158 N 4.70 0.71 0.18 0.43 3.00 -1.26 -2.05 117.38 123.09 1jae n GLN 158 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1jae n GLN 158 Cb 0.45 -1.33 0.11 0.00 0.00 0.00 0.00 30.24 29.47 1jae n GLN 158 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1jae h GLY 159 N 3.78 0.00 -4.16 1.08 0.00 -1.96 -3.42 103.07 98.39 1jae h GLY 159 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1jae h GLY 159 CO 0.00 0.00 0.57 -0.45 0.00 0.00 0.00 176.54 176.66 1jae s SER 160 N -6.14 7.06 0.28 0.19 0.15 -0.87 -4.94 113.70 109.43 1jae s SER 160 Ca 0.05 2.27 -0.01 0.00 0.70 0.00 0.00 55.95 58.95 1jae s SER 160 Cb 0.06 -2.61 0.39 0.00 -1.71 0.00 0.00 66.02 62.15 1jae s SER 160 CO 0.70 -0.39 1.82 0.44 1.20 0.00 0.00 173.24 177.01 1jae h ASP 161 N 5.19 0.78 0.38 5.45 5.19 -1.89 0.01 116.42 131.52 1jae h ASP 161 Ca -0.45 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 55.80 1jae h ASP 161 Cb 1.21 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1jae h ASP 161 CO 0.75 0.77 -0.18 0.22 -3.12 0.00 0.00 179.24 177.67 1jae h TYR 162 N 0.80 -0.47 -0.52 4.55 3.20 -1.94 -1.28 116.97 121.32 1jae h TYR 162 Ca 0.17 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1jae h TYR 162 Cb 0.31 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1jae h TYR 162 CO 0.02 -0.23 0.30 0.28 -1.64 0.00 0.00 178.16 176.89 1jae h VAL 163 N -0.60 1.03 -0.69 1.81 2.07 -1.76 -1.40 116.25 116.71 1jae h VAL 163 Ca -0.05 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.33 1jae h VAL 163 Cb 0.45 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1jae h VAL 163 CO 0.08 0.11 0.38 0.03 0.02 0.00 0.00 177.57 178.19 1jae h ARG 164 N 0.59 0.67 -0.65 1.57 3.08 -0.91 -1.23 114.38 117.50 1jae h ARG 164 Ca 0.21 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1jae h ARG 164 Cb 0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1jae h ARG 164 CO -0.11 0.44 0.31 0.78 -1.07 0.00 0.00 179.97 180.32 1jae h GLY 165 N 0.69 1.00 0.97 0.04 0.00 -0.48 0.60 103.07 105.89 1jae h GLY 165 Ca 0.32 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1jae h GLY 165 CO -0.20 0.48 0.22 -2.08 0.00 0.00 0.00 176.54 174.95 1jae h VAL 166 N 0.89 1.20 -0.39 4.60 2.07 -0.70 0.23 116.25 124.15 1jae h VAL 166 Ca 0.22 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1jae h VAL 166 Cb 0.13 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1jae h VAL 166 CO -0.03 0.23 -0.10 -0.07 0.02 0.00 0.00 177.57 177.63 1jae h LEU 167 N 0.67 0.76 -0.43 2.57 3.38 -0.98 -1.38 115.31 119.91 1jae h LEU 167 Ca 0.17 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1jae h LEU 167 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jae h LEU 167 CO -0.02 0.95 0.24 0.40 0.09 0.00 0.00 178.44 180.11 1jae h ILE 168 N 0.57 1.15 -0.59 1.22 2.04 -0.71 -1.11 117.51 120.08 1jae h ILE 168 Ca 0.10 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1jae h ILE 168 Cb 0.62 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1jae h ILE 168 CO 0.04 0.16 0.39 0.44 0.00 0.00 0.00 178.15 179.18 1jae h ASP 169 N 0.57 0.66 0.47 1.72 3.32 -0.79 0.13 116.42 122.50 1jae h ASP 169 Ca 0.15 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1jae h ASP 169 Cb 0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1jae h ASP 169 CO -0.03 0.48 -0.25 0.22 -1.72 0.00 0.00 179.24 177.94 1jae h TYR 170 N 0.79 -0.66 -0.66 4.55 3.20 -0.93 -0.01 116.97 123.23 1jae h TYR 170 Ca 0.22 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1jae h TYR 170 Cb -0.07 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1jae h TYR 170 CO -0.04 -0.40 0.24 0.52 -1.64 0.00 0.00 178.16 176.85 1jae h MET 171 N -0.68 0.98 -0.46 1.82 2.86 -1.02 -1.97 114.93 116.47 1jae h MET 171 Ca -0.06 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 1jae h MET 171 Cb 0.54 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1jae h MET 171 CO 0.08 0.82 -0.04 -0.91 1.06 0.00 0.00 176.91 177.92 1jae h ASN 172 N 0.96 0.76 -0.97 1.22 2.35 -0.65 -0.74 115.58 118.52 1jae h ASN 172 Ca 0.22 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1jae h ASN 172 Cb 0.21 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1jae h ASN 172 CO -0.02 0.85 0.62 -0.74 -1.65 0.00 0.00 177.43 176.49 1jae h HIS 173 N 0.72 1.24 -0.52 1.19 2.76 -0.40 0.31 115.15 120.45 1jae h HIS 173 Ca 0.13 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1jae h HIS 173 Cb 0.50 -0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1jae h HIS 173 CO 0.03 0.80 0.15 0.52 -1.30 0.00 0.00 177.93 178.13 1jae h MET 174 N 1.32 0.82 -0.81 5.26 2.86 -0.59 -2.12 114.93 121.66 1jae h MET 174 Ca 0.35 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1jae h MET 174 Cb -0.11 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.39 1jae h MET 174 CO -0.07 0.76 0.50 0.82 1.06 0.00 0.00 176.91 179.98 1jae h ILE 175 N 0.72 1.22 -0.51 -1.22 2.04 -0.53 -1.54 117.51 117.69 1jae h ILE 175 Ca 0.17 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1jae h ILE 175 Cb 0.29 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1jae h ILE 175 CO -0.00 0.23 0.34 0.44 0.00 0.00 0.00 178.15 179.16 1jae h ASP 176 N 1.11 0.47 -0.08 1.72 3.32 -0.51 -0.01 116.42 122.45 1jae h ASP 176 Ca 0.29 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1jae h ASP 176 Cb -0.06 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1jae h ASP 176 CO -0.06 0.32 0.00 0.18 -1.72 0.00 0.00 179.24 177.96 1jae n LEU 177 N -4.47 0.50 0.00 1.55 4.77 -0.61 -4.90 117.00 113.84 1jae n LEU 177 Ca 0.06 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1jae n LEU 177 Cb 0.17 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1jae n LEU 177 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1jae n GLY 178 N 0.77 0.74 3.83 -0.72 0.00 -0.02 -4.74 105.19 105.06 1jae n GLY 178 Ca 0.09 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1jae n GLY 178 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jae s VAL 179 N -2.00 4.36 -0.54 1.61 -7.23 -1.04 -4.68 120.40 110.88 1jae s VAL 179 Ca 0.00 1.07 0.22 0.00 -1.81 0.00 0.00 61.98 61.46 1jae s VAL 179 Cb 0.00 -3.64 -0.19 0.00 0.56 0.00 0.00 36.38 33.11 1jae s VAL 179 CO 0.00 -0.70 0.87 0.00 -0.31 0.00 0.00 175.10 174.95 1jae n ALA 180 N -1.89 3.52 0.00 1.32 0.00 0.73 -4.70 120.51 119.49 1jae n ALA 180 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1jae n ALA 180 Cb 0.54 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1jae n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jae n GLY 181 N 1.36 -1.04 3.00 0.00 0.00 -1.23 -1.17 105.19 106.11 1jae n GLY 181 Ca 0.01 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 1jae n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jae s PHE 182 N -3.00 -0.00 -0.31 1.61 0.08 0.10 -1.19 117.98 115.27 1jae s PHE 182 Ca 0.00 0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.92 1jae s PHE 182 Cb 0.00 -0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.40 1jae s PHE 182 CO 0.00 -0.12 0.37 0.50 -0.10 0.00 0.00 175.22 175.86 1jae s ARG 183 N -0.53 3.75 -0.47 0.44 3.52 0.39 -1.65 118.95 124.40 1jae s ARG 183 Ca -0.06 -0.23 -0.21 0.00 -0.13 0.00 0.00 55.73 55.11 1jae s ARG 183 Cb -0.04 -3.74 0.03 0.00 -1.56 0.00 0.00 34.95 29.64 1jae s ARG 183 CO 0.00 -0.43 0.67 0.08 -0.81 0.00 0.00 175.30 174.81 1jae s VAL 184 N 2.06 4.79 0.35 7.11 1.01 0.23 -0.52 120.40 135.43 1jae s VAL 184 Ca 0.13 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 1jae s VAL 184 Cb -0.16 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 1jae s VAL 184 CO 0.11 -0.71 1.26 -0.62 0.00 0.00 0.00 175.10 175.14 1jae s ASP 185 N 2.27 6.71 -1.55 3.32 2.15 -0.41 -1.00 116.67 128.16 1jae s ASP 185 Ca 0.21 2.58 -0.07 0.00 0.43 0.00 0.00 52.55 55.70 1jae s ASP 185 Cb -0.15 -2.64 0.06 0.00 -0.30 0.00 0.00 42.92 39.89 1jae s ASP 185 CO 0.17 -0.56 0.49 0.00 -0.17 0.00 0.00 175.17 175.09 1jae n ALA 186 N 0.62 -1.72 0.15 3.66 0.00 -1.26 -4.59 120.51 117.37 1jae n ALA 186 Ca 0.01 -0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.30 1jae n ALA 186 Cb 0.43 -2.11 0.48 0.00 0.00 0.00 0.00 19.45 18.25 1jae n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jae h ALA 187 N 0.86 1.70 -0.20 0.00 0.00 -1.33 -1.08 119.26 119.21 1jae h ALA 187 Ca -0.62 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.19 1jae h ALA 187 Cb 1.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1jae h ALA 187 CO 0.70 0.23 0.14 -0.22 0.00 0.00 0.00 179.25 180.10 1jae h LYS 188 N 0.20 0.20 -0.33 0.00 3.64 -1.86 -1.62 116.57 116.80 1jae h LYS 188 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jae h LYS 188 Cb 0.18 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1jae h LYS 188 CO 0.01 0.14 0.00 0.72 -2.27 0.00 0.00 179.45 178.04 1jae n HIS 189 N -4.50 0.29 -4.25 1.91 8.25 -0.41 -4.60 115.22 111.91 1jae n HIS 189 Ca 0.01 -0.13 -0.15 0.00 -0.26 0.00 0.00 57.72 57.19 1jae n HIS 189 Cb 0.13 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.09 1jae n HIS 189 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1jae s MET 190 N -1.69 1.07 -0.07 -0.41 -1.94 -0.61 -4.40 119.30 111.25 1jae s MET 190 Ca 0.12 -1.43 -0.24 0.00 -1.71 0.00 0.00 55.69 52.43 1jae s MET 190 Cb 0.07 -0.68 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 1jae s MET 190 CO 0.07 0.09 0.71 -1.12 -0.01 0.00 0.00 175.02 174.76 1jae s SER 191 N -3.09 7.00 0.41 3.03 0.01 -1.26 -4.94 113.70 114.86 1jae s SER 191 Ca 0.16 1.21 0.16 0.00 1.31 0.00 0.00 55.95 58.78 1jae s SER 191 Cb 0.01 -2.42 1.03 0.00 0.21 0.00 0.00 66.02 64.85 1jae s SER 191 CO 0.01 -0.12 1.87 -0.65 0.41 0.00 0.00 173.24 174.75 1jae h PRO 192 N 6.77 0.45 -0.69 12.44 0.11 -1.90 -0.28 132.00 148.90 1jae h PRO 192 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jae h PRO 192 Cb 1.20 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1jae h PRO 192 CO 0.75 0.30 0.44 0.78 -0.21 0.00 0.00 178.00 180.06 1jae h GLY 193 N 0.46 0.99 0.93 -0.55 0.00 -1.94 0.42 103.07 103.38 1jae h GLY 193 Ca 0.45 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 1jae h GLY 193 CO -0.18 0.38 -0.45 -0.55 0.00 0.00 0.00 176.54 175.74 1jae h ASP 194 N 0.94 0.68 -0.75 0.19 3.32 -1.43 -3.17 116.42 116.19 1jae h ASP 194 Ca 0.25 -0.58 0.02 0.00 0.02 0.00 0.00 57.03 56.74 1jae h ASP 194 Cb -0.08 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1jae h ASP 194 CO -0.05 1.14 0.49 -0.07 -1.72 0.00 0.00 179.24 179.03 1jae h LEU 195 N 0.25 0.82 -0.91 1.55 3.38 -0.81 -1.71 115.31 117.88 1jae h LEU 195 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jae h LEU 195 Cb 1.06 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1jae h LEU 195 CO 0.10 0.58 0.55 0.77 0.09 0.00 0.00 178.44 180.53 1jae h SER 196 N 0.97 1.08 -0.22 -0.43 4.64 -0.95 0.12 113.55 118.77 1jae h SER 196 Ca 0.29 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1jae h SER 196 Cb -0.05 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1jae h SER 196 CO -0.09 0.82 0.07 0.58 -0.87 0.00 0.00 176.83 177.34 1jae h VAL 197 N 1.25 1.19 0.15 0.95 2.07 -1.43 -0.19 116.25 120.23 1jae h VAL 197 Ca 0.33 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1jae h VAL 197 Cb -0.07 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1jae h VAL 197 CO -0.06 0.19 -0.07 0.40 0.02 0.00 0.00 177.57 178.05 1jae h ILE 198 N 0.18 0.86 -0.56 4.57 2.04 -0.85 -2.34 117.51 121.41 1jae h ILE 198 Ca 0.07 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1jae h ILE 198 Cb 0.23 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1jae h ILE 198 CO -0.00 0.01 0.30 -0.26 0.00 0.00 0.00 178.15 178.19 1jae h PHE 199 N -0.22 0.75 0.00 1.37 0.04 -0.72 -1.37 116.94 116.78 1jae h PHE 199 Ca -0.02 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1jae h PHE 199 Cb 0.17 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1jae h PHE 199 CO -0.06 0.53 -0.21 0.77 -0.60 0.00 0.00 178.31 178.73 1jae h SER 200 N 0.77 0.00 0.38 2.17 0.02 -0.74 -2.51 113.55 113.64 1jae h SER 200 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1jae h SER 200 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1jae h SER 200 CO -0.03 0.21 -0.04 0.61 -1.14 0.00 0.00 176.83 176.44 1jae n GLY 201 N -0.58 -1.08 3.76 -3.77 0.00 -0.52 -4.86 105.19 98.13 1jae n GLY 201 Ca -0.02 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1jae n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jae s LEU 202 N -2.42 4.56 0.74 0.99 1.43 -0.95 -5.01 118.68 118.02 1jae s LEU 202 Ca 0.32 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 1jae s LEU 202 Cb 0.21 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.81 1jae s LEU 202 CO 0.45 -0.07 1.12 -1.59 0.23 0.00 0.00 176.35 176.49 1jae s LYS 203 N -1.43 2.57 0.75 1.70 -2.85 -1.26 -4.99 119.74 114.23 1jae s LYS 203 Ca 0.44 0.36 -0.12 0.00 -1.00 0.00 0.00 55.97 55.65 1jae s LYS 203 Cb -0.30 -2.00 0.05 0.00 -2.06 0.00 0.00 37.83 33.52 1jae s LYS 203 CO 0.38 -1.22 1.12 -0.80 0.10 0.00 0.00 175.35 174.92 1jae s ASN 204 N -4.41 4.47 0.63 0.03 0.01 -1.26 -4.51 114.94 109.89 1jae s ASN 204 Ca 0.59 1.99 -0.18 0.00 -0.71 0.00 0.00 52.86 54.55 1jae s ASN 204 Cb -0.11 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1jae s ASN 204 CO 0.51 -2.06 1.21 -0.76 -1.51 0.00 0.00 177.10 174.49 1jae s LEU 205 N -5.57 3.58 -0.47 0.60 1.43 -0.11 -4.91 118.68 113.23 1jae s LEU 205 Ca 0.65 2.39 -0.28 0.00 -1.03 0.00 0.00 54.13 55.86 1jae s LEU 205 Cb -0.20 -4.60 0.01 0.00 0.03 0.00 0.00 46.19 41.43 1jae s LEU 205 CO 0.50 -1.75 1.50 0.21 0.23 0.00 0.00 176.35 177.04 1jae s ASN 206 N -1.70 6.12 0.49 2.29 3.84 -1.26 -4.80 114.94 119.91 1jae s ASN 206 Ca 0.77 0.66 0.33 0.00 0.21 0.00 0.00 52.86 54.83 1jae s ASN 206 Cb -0.30 -2.54 1.71 0.00 -0.55 0.00 0.00 41.25 39.57 1jae s ASN 206 CO 0.36 -1.64 2.00 0.71 -2.79 0.00 0.00 177.10 175.74 1jae h THR 207 N 6.52 0.00 0.00 -5.21 1.35 -1.89 -1.19 112.91 112.48 1jae h THR 207 Ca -0.28 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1jae h THR 207 Cb 1.11 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1jae h THR 207 CO 1.12 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.86 1jae n ASP 208 N -2.69 0.47 -1.49 5.36 8.00 -1.26 -1.29 116.55 123.66 1jae n ASP 208 Ca -0.02 0.64 0.09 0.00 0.71 0.00 0.00 54.79 56.22 1jae n ASP 208 Cb 0.10 -0.73 0.34 0.00 -0.02 0.00 0.00 41.12 40.80 1jae n ASP 208 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jae n TYR 209 N -2.05 1.40 -0.40 1.24 4.01 -0.45 -4.94 117.16 115.96 1jae n TYR 209 Ca 0.01 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 1jae n TYR 209 Cb 0.16 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1jae n TYR 209 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jae n GLY 210 N 0.99 0.71 3.80 2.72 0.00 -0.41 -4.73 105.19 108.26 1jae n GLY 210 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1jae n GLY 210 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jae s PHE 211 N -2.72 2.97 0.67 1.61 0.08 -1.25 -5.03 117.98 114.31 1jae s PHE 211 Ca 0.00 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.47 1jae s PHE 211 Cb 0.00 -3.08 0.01 0.00 -0.57 0.00 0.00 43.02 39.38 1jae s PHE 211 CO 0.00 -0.89 1.12 0.00 -0.10 0.00 0.00 175.22 175.35 1jae s ALA 212 N -1.99 2.42 0.36 5.36 0.00 -1.26 -4.49 121.76 122.15 1jae s ALA 212 Ca 0.67 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 1jae s ALA 212 Cb -0.17 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.51 1jae s ALA 212 CO 0.21 -1.37 1.42 -0.51 0.00 0.00 0.00 175.76 175.51 1jae s ASP 213 N -2.53 6.51 0.00 0.00 1.01 -1.26 -2.55 116.67 117.85 1jae s ASP 213 Ca 0.68 2.91 0.00 0.00 0.71 0.00 0.00 52.55 56.85 1jae s ASP 213 Cb -0.21 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.06 1jae s ASP 213 CO 0.42 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1jae n GLY 214 N 0.66 0.54 3.75 0.21 0.00 -1.26 -5.00 105.19 104.10 1jae n GLY 214 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1jae n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jae s ALA 215 N -2.35 3.58 -0.02 4.61 0.00 -1.06 -4.91 121.76 121.60 1jae s ALA 215 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 1jae s ALA 215 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1jae s ALA 215 CO 0.00 -0.72 0.05 1.03 0.00 0.00 0.00 175.76 176.12 1jae s ARG 216 N -0.88 3.01 0.31 0.00 1.81 -1.26 -0.93 118.95 121.01 1jae s ARG 216 Ca 0.56 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.79 1jae s ARG 216 Cb -0.41 -2.82 -0.11 0.00 -0.45 0.00 0.00 34.95 31.15 1jae s ARG 216 CO 0.47 0.66 1.58 -0.35 -0.68 0.00 0.00 175.30 176.98 1jae n PRO 217 N 1.42 2.71 -2.37 3.54 -0.04 -1.26 -4.88 135.00 134.13 1jae n PRO 217 Ca -0.15 0.96 -0.42 0.00 -0.04 0.00 0.00 63.50 63.86 1jae n PRO 217 Cb 0.53 -2.74 -0.03 0.00 -0.04 0.00 0.00 33.50 31.22 1jae n PRO 217 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1jae s PHE 218 N -0.18 3.40 -0.17 0.54 5.36 -0.32 -4.71 117.98 121.91 1jae s PHE 218 Ca 0.62 1.28 0.01 0.00 -0.96 0.00 0.00 56.93 57.87 1jae s PHE 218 Cb -0.49 -3.47 0.02 0.00 -0.34 0.00 0.00 43.02 38.75 1jae s PHE 218 CO 0.51 -1.44 -0.17 0.42 -1.46 0.00 0.00 175.22 173.07 1jae s ILE 219 N 0.76 1.86 -0.09 3.12 -1.09 -1.26 0.02 121.20 124.52 1jae s ILE 219 Ca 0.58 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1jae s ILE 219 Cb -0.32 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.88 1jae s ILE 219 CO 0.31 0.50 -0.09 -0.72 -1.23 0.00 0.00 174.94 173.72 1jae s TYR 220 N 1.37 1.36 -0.16 3.97 1.13 -0.66 0.19 117.35 124.55 1jae s TYR 220 Ca 0.05 -0.59 -0.06 0.00 -1.41 0.00 0.00 57.07 55.06 1jae s TYR 220 Cb -0.13 -1.10 -0.04 0.00 -1.10 0.00 0.00 41.96 39.59 1jae s TYR 220 CO -0.12 -0.39 0.04 -0.65 -2.51 0.00 0.00 175.55 171.93 1jae s GLN 221 N 1.27 3.72 -0.70 -3.49 -0.21 -0.03 -0.60 119.66 119.63 1jae s GLN 221 Ca -0.04 -0.36 -0.27 0.00 0.02 0.00 0.00 55.36 54.72 1jae s GLN 221 Cb -0.14 -3.10 0.03 0.00 1.00 0.00 0.00 33.01 30.81 1jae s GLN 221 CO -0.03 0.39 1.24 -2.00 -2.12 0.00 0.00 175.29 172.77 1jae s GLU 222 N 0.02 3.27 -0.35 2.91 2.12 -0.17 -0.57 118.70 125.92 1jae s GLU 222 Ca 0.05 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.25 1jae s GLU 222 Cb -0.12 -4.14 0.11 0.00 0.26 0.00 0.00 34.13 30.23 1jae s GLU 222 CO 0.01 -2.01 0.11 0.08 -0.54 0.00 0.00 175.26 172.91 1jae s VAL 223 N 5.46 1.52 -0.71 3.70 1.01 -1.26 -1.39 120.40 128.74 1jae s VAL 223 Ca 0.36 -2.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.07 1jae s VAL 223 Cb -0.08 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1jae s VAL 223 CO 0.17 -0.69 1.59 -0.63 0.00 0.00 0.00 175.10 175.54 1jae s ILE 224 N 1.07 3.55 -0.28 2.22 1.01 -1.26 -4.69 121.20 122.82 1jae s ILE 224 Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1jae s ILE 224 Cb -0.19 -4.44 0.08 0.00 0.01 0.00 0.00 42.46 37.92 1jae s ILE 224 CO -0.14 -1.39 0.04 -0.62 0.00 0.00 0.00 174.94 172.83 1jae s ASP 225 N 5.99 4.00 -0.24 3.58 2.15 -1.26 -4.93 116.67 125.96 1jae s ASP 225 Ca 0.52 -1.52 0.14 0.00 0.43 0.00 0.00 52.55 52.11 1jae s ASP 225 Cb -0.10 -1.06 0.64 0.00 -0.30 0.00 0.00 42.92 42.10 1jae s ASP 225 CO 0.15 -0.35 1.58 0.18 -0.17 0.00 0.00 175.17 176.57 1jae n LEU 226 N 4.71 4.81 0.00 -1.34 4.77 -1.26 -4.45 117.00 124.24 1jae n LEU 226 Ca -0.04 -3.15 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 1jae n LEU 226 Cb 0.43 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1jae n LEU 226 CO 0.15 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1jae n GLY 227 N -0.30 -1.34 2.79 -0.72 0.00 -1.26 -5.00 105.19 99.36 1jae n GLY 227 Ca 0.29 -1.59 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 1jae n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jae n GLY 228 N -1.40 -0.39 3.39 -0.02 0.00 -1.26 -5.01 105.19 100.50 1jae n GLY 228 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1jae n GLY 228 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jae s GLU 229 N -5.46 1.52 0.38 1.61 2.02 -1.26 -4.95 118.70 112.55 1jae s GLU 229 Ca 0.22 -1.82 0.17 0.00 0.02 0.00 0.00 54.97 53.57 1jae s GLU 229 Cb -0.10 -0.70 0.76 0.00 0.10 0.00 0.00 34.13 34.19 1jae s GLU 229 CO 0.28 -0.17 1.79 0.00 0.02 0.00 0.00 175.26 177.17 1jae h ALA 230 N 2.27 1.14 -3.05 5.21 0.00 -1.24 -3.43 119.26 120.16 1jae h ALA 230 Ca -0.40 -0.34 -0.67 0.00 0.00 0.00 0.00 54.91 53.51 1jae h ALA 230 Cb 1.24 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 1jae h ALA 230 CO 0.66 0.46 -0.56 0.42 0.00 0.00 0.00 179.25 180.23 1jae s ILE 231 N -3.86 4.80 0.05 0.00 1.01 -1.26 -4.83 121.20 117.11 1jae s ILE 231 Ca -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.56 1jae s ILE 231 Cb 0.12 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1jae s ILE 231 CO 0.69 0.52 -0.26 -0.55 0.00 0.00 0.00 174.94 175.35 1jae s SER 232 N -1.22 3.07 0.53 3.58 0.15 -1.26 -4.96 113.70 113.58 1jae s SER 232 Ca 0.17 -0.59 0.19 0.00 0.70 0.00 0.00 55.95 56.42 1jae s SER 232 Cb -0.12 -0.27 1.33 0.00 -1.71 0.00 0.00 66.02 65.26 1jae s SER 232 CO 0.07 0.24 2.13 0.07 1.20 0.00 0.00 173.24 176.94 1jae h LYS 233 N 4.73 0.00 0.00 5.44 2.10 -1.92 -1.02 116.57 125.91 1jae h LYS 233 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1jae h LYS 233 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1jae h LYS 233 CO 0.43 0.00 0.00 -0.91 -2.00 0.00 0.00 179.45 176.97 1jae h ASN 234 N 0.00 0.00 1.05 7.07 -0.26 -2.00 -1.50 115.58 119.94 1jae h ASN 234 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1jae h ASN 234 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1jae h ASN 234 CO -0.00 0.00 0.00 -0.33 -1.06 0.00 0.00 177.43 176.04 1jae h GLU 235 N 0.00 0.00 -0.00 0.81 5.08 -1.60 -3.27 114.58 115.59 1jae h GLU 235 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jae h GLU 235 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jae h GLU 235 CO 0.00 0.00 -0.56 0.66 -1.00 0.00 0.00 179.01 178.11 1jae n TYR 236 N -2.35 0.00 0.64 4.33 4.02 -0.57 -4.58 117.16 118.65 1jae n TYR 236 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.01 1jae n TYR 236 Cb 0.31 0.00 0.39 0.00 -0.02 0.00 0.00 39.34 40.02 1jae n TYR 236 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1jae n THR 237 N -1.11 0.74 0.16 -0.72 -2.24 -1.23 -3.31 114.28 106.57 1jae n THR 237 Ca 0.03 0.19 0.01 0.00 -2.27 0.00 0.00 64.05 62.00 1jae n THR 237 Cb 0.22 -0.88 0.27 0.00 -2.10 0.00 0.00 70.33 67.83 1jae n THR 237 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1jae h GLY 238 N 3.04 0.01 -0.36 3.38 0.00 -1.81 -3.33 103.07 103.99 1jae h GLY 238 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1jae h GLY 238 CO 0.00 0.00 -0.17 1.97 0.00 0.00 0.00 176.54 178.35 1jae n PHE 239 N -3.96 0.00 0.00 5.60 1.16 -1.21 -5.08 117.46 113.97 1jae n PHE 239 Ca -0.02 -0.97 0.00 0.00 -1.87 0.00 0.00 57.45 54.60 1jae n PHE 239 Cb 0.51 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.22 1jae n PHE 239 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1jae n GLY 240 N -1.18 1.21 3.85 4.97 0.00 -1.25 -4.88 105.19 107.91 1jae n GLY 240 Ca 0.15 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1jae n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jae s VAL 242 N -3.26 1.13 -0.04 0.00 1.01 0.34 -0.85 120.40 118.73 1jae s VAL 242 Ca 0.59 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1jae s VAL 242 Cb -0.12 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1jae s VAL 242 CO 0.53 0.33 1.53 -0.76 0.00 0.00 0.00 175.10 176.73 1jae s LEU 243 N 0.01 4.31 -0.61 3.92 1.43 0.26 -1.95 118.68 126.05 1jae s LEU 243 Ca -0.01 2.16 -0.22 0.00 -1.03 0.00 0.00 54.13 55.03 1jae s LEU 243 Cb -0.09 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.66 1jae s LEU 243 CO 0.01 -0.85 0.87 -0.70 0.23 0.00 0.00 176.35 175.91 1jae s GLU 244 N 3.38 3.13 0.24 1.70 2.56 -0.23 -4.41 118.70 125.06 1jae s GLU 244 Ca 0.68 -0.86 0.13 0.00 0.00 0.00 0.00 54.97 54.92 1jae s GLU 244 Cb -0.32 -4.20 0.01 0.00 2.00 0.00 0.00 34.13 31.62 1jae s GLU 244 CO 0.27 -1.64 1.41 0.74 -0.56 0.00 0.00 175.26 175.48 1jae h PHE 245 N 9.39 0.00 -0.08 5.30 -1.00 -1.86 -3.22 116.94 125.46 1jae h PHE 245 Ca -0.28 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.44 1jae h PHE 245 Cb 1.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 1jae h PHE 245 CO 0.91 0.64 -0.20 0.37 -1.61 0.00 0.00 178.31 178.42 1jae h GLN 246 N 0.00 0.14 0.06 1.51 5.75 -1.91 -3.01 115.11 117.65 1jae h GLN 246 Ca -0.01 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1jae h GLN 246 Cb 1.48 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.96 1jae h GLN 246 CO 0.08 0.34 -0.39 0.35 -2.65 0.00 0.00 178.83 176.57 1jae h PHE 247 N 0.13 -1.09 -0.31 3.99 3.04 -1.91 -0.11 116.94 120.69 1jae h PHE 247 Ca 0.02 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.93 1jae h PHE 247 Cb 0.44 0.47 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1jae h PHE 247 CO 0.00 -0.48 -0.12 0.78 -2.02 0.00 0.00 178.31 176.47 1jae h GLY 248 N -0.58 0.56 0.70 2.40 0.00 -1.64 -0.96 103.07 103.55 1jae h GLY 248 Ca 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1jae h GLY 248 CO -0.27 0.36 0.00 -2.08 0.00 0.00 0.00 176.54 174.56 1jae h VAL 249 N 0.48 1.25 -0.41 4.60 2.07 -1.35 0.31 116.25 123.20 1jae h VAL 249 Ca 0.09 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1jae h VAL 249 Cb 0.51 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1jae h VAL 249 CO 0.03 0.19 0.14 0.28 0.02 0.00 0.00 177.57 178.23 1jae h SER 250 N -0.27 0.58 -0.36 0.57 0.02 -0.89 -0.93 113.55 112.28 1jae h SER 250 Ca 0.01 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 60.62 1jae h SER 250 Cb 0.31 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1jae h SER 250 CO 0.00 0.62 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.91 1jae h LEU 251 N 0.51 0.91 -0.84 5.07 3.38 -1.22 -1.50 115.31 121.61 1jae h LEU 251 Ca 0.13 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1jae h LEU 251 Cb 0.24 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1jae h LEU 251 CO -0.01 1.18 0.55 1.23 0.09 0.00 0.00 178.44 181.48 1jae h GLY 252 N 0.65 1.20 0.71 0.83 0.00 -0.84 0.89 103.07 106.51 1jae h GLY 252 Ca 0.06 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1jae h GLY 252 CO 0.08 0.39 -0.01 -0.57 0.00 0.00 0.00 176.54 176.44 1jae h ASN 253 N 1.10 -0.02 -0.01 0.19 -1.24 -1.08 -2.74 115.58 111.78 1jae h ASN 253 Ca 0.32 -0.29 0.01 0.00 0.71 0.00 0.00 56.30 57.06 1jae h ASN 253 Cb -0.07 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1jae h ASN 253 CO -0.09 0.28 -0.06 0.00 -1.29 0.00 0.00 177.43 176.27 1jae h ALA 254 N 0.67 -0.05 0.00 1.57 0.00 -0.93 0.19 119.26 120.70 1jae h ALA 254 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jae h ALA 254 Cb 0.30 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jae h ALA 254 CO 0.00 -0.55 0.00 1.19 0.00 0.00 0.00 179.25 179.89 1jae n PHE 255 N -5.18 0.00 -0.48 0.00 3.72 0.28 -1.13 117.46 114.67 1jae n PHE 255 Ca -0.06 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.44 1jae n PHE 255 Cb 0.11 -0.37 0.32 0.00 -0.94 0.00 0.00 39.48 38.60 1jae n PHE 255 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1jae n GLN 256 N -1.37 3.18 -0.85 -1.08 6.02 -0.86 -4.82 117.38 117.60 1jae n GLN 256 Ca 0.07 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.34 1jae n GLN 256 Cb 0.17 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.74 1jae n GLN 256 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jae n GLY 257 N 1.29 0.57 0.00 1.08 0.00 -0.29 -4.91 105.19 102.94 1jae n GLY 257 Ca 0.24 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.38 1jae n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jae n GLY 258 N -2.85 -1.19 3.40 -0.02 0.00 0.60 -4.81 105.19 100.32 1jae n GLY 258 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1jae n GLY 258 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jae s ASN 259 N -2.47 -0.46 0.07 1.61 3.04 -1.25 -4.83 114.94 110.64 1jae s ASN 259 Ca 0.31 0.08 -0.24 0.00 0.04 0.00 0.00 52.86 53.05 1jae s ASN 259 Cb 0.20 0.53 -0.06 0.00 -1.54 0.00 0.00 41.25 40.37 1jae s ASN 259 CO 0.43 -0.82 0.72 -1.10 -3.04 0.00 0.00 177.10 173.29 1jae s GLN 260 N -3.01 4.45 0.50 0.43 -0.21 -1.26 -4.74 119.66 115.83 1jae s GLN 260 Ca -0.02 1.00 0.19 0.00 0.02 0.00 0.00 55.36 56.54 1jae s GLN 260 Cb -0.00 -3.32 1.25 0.00 1.00 0.00 0.00 33.01 31.93 1jae s GLN 260 CO -0.06 0.41 2.05 -0.07 -2.12 0.00 0.00 175.29 175.49 1jae h LEU 261 N 5.20 0.11 -2.13 2.90 3.38 -1.82 -0.58 115.31 122.38 1jae h LEU 261 Ca -0.46 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.60 1jae h LEU 261 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1jae h LEU 261 CO 0.69 0.07 0.29 0.07 0.09 0.00 0.00 178.44 179.64 1jae h LYS 262 N 0.12 0.00 0.00 1.13 5.09 -1.69 -0.17 116.57 121.04 1jae h LYS 262 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.91 1jae h LYS 262 Cb 0.51 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.84 1jae h LYS 262 CO -0.02 0.00 0.00 -0.91 -2.09 0.00 0.00 179.45 176.43 1jae h ASN 263 N 0.00 0.00 0.12 7.07 2.35 -1.39 -2.84 115.58 120.89 1jae h ASN 263 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1jae h ASN 263 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1jae h ASN 263 CO -0.00 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 1jae n LEU 264 N -2.41 0.00 -0.30 1.61 4.77 -0.08 -3.70 117.00 116.89 1jae n LEU 264 Ca 0.02 0.08 0.16 0.00 -0.03 0.00 0.00 56.01 56.23 1jae n LEU 264 Cb 0.25 -0.08 0.41 0.00 -2.33 0.00 0.00 43.42 41.68 1jae n LEU 264 CO 0.22 -0.02 1.21 0.00 -1.33 0.00 0.00 177.39 177.47 1jae h ALA 265 N 3.41 1.93 -0.52 -1.18 0.00 -1.69 -0.41 119.26 120.79 1jae h ALA 265 Ca 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 1jae h ALA 265 Cb 0.06 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 1jae h ALA 265 CO 0.00 -0.25 0.09 0.27 0.00 0.00 0.00 179.25 179.36 1jae n ASN 266 N -4.63 2.88 -4.66 0.00 2.04 -1.24 -5.02 115.26 104.63 1jae n ASN 266 Ca 0.21 -3.76 -0.47 0.00 -0.44 0.00 0.00 54.58 50.13 1jae n ASN 266 Cb 0.62 -0.69 -0.04 0.00 -2.53 0.00 0.00 39.78 37.14 1jae n ASN 266 CO 0.00 0.00 0.00 1.87 -0.44 0.00 0.00 177.26 178.69 1jae n TRP 267 N -1.12 2.20 -0.54 -2.53 -0.00 -0.17 -4.46 117.44 110.81 1jae n TRP 267 Ca 0.40 0.31 0.00 0.00 -0.00 0.00 0.00 57.50 58.21 1jae n TRP 267 Cb 1.18 -2.52 0.00 0.00 -0.00 0.00 0.00 31.31 29.97 1jae n TRP 267 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jae n GLY 268 N 3.32 0.41 0.53 5.87 0.00 -1.26 -4.90 105.19 109.16 1jae n GLY 268 Ca 0.17 -1.46 0.35 0.00 0.00 0.00 0.00 46.02 45.09 1jae n GLY 268 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jae h PRO 269 N 0.00 0.04 0.00 1.61 0.11 -1.74 0.12 132.00 132.13 1jae h PRO 269 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1jae h PRO 269 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1jae h PRO 269 CO 0.00 0.03 -0.03 0.93 -0.21 0.00 0.00 178.00 178.71 1jae h GLU 270 N 0.04 0.00 -0.35 1.05 5.08 -1.86 0.76 114.58 119.31 1jae h GLU 270 Ca 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1jae h GLU 270 Cb 2.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.55 1jae h GLU 270 CO -0.05 0.03 0.00 0.91 -1.00 0.00 0.00 179.01 178.91 1jae n TRP 271 N -3.78 0.41 -0.73 4.33 7.02 0.41 -4.85 117.44 120.25 1jae n TRP 271 Ca -0.03 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1jae n TRP 271 Cb 0.12 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 1jae n TRP 271 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1jae n GLY 272 N 0.82 0.58 3.93 6.99 0.00 0.26 -5.03 105.19 112.74 1jae n GLY 272 Ca 0.09 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 1jae n GLY 272 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jae s LEU 273 N 0.00 3.41 0.98 0.99 1.43 -1.20 -5.02 118.68 119.27 1jae s LEU 273 Ca 0.00 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1jae s LEU 273 Cb 0.00 -3.40 0.18 0.00 0.03 0.00 0.00 46.19 43.00 1jae s LEU 273 CO 0.00 -0.90 1.09 -0.76 0.23 0.00 0.00 176.35 176.01 1jae s LEU 274 N -4.81 1.74 0.43 1.79 1.43 -1.26 -4.25 118.68 113.75 1jae s LEU 274 Ca 0.51 1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 54.65 1jae s LEU 274 Cb -0.10 -3.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 1jae s LEU 274 CO 0.42 -3.05 1.21 -1.61 0.23 0.00 0.00 176.35 173.55 1jae s GLU 275 N -4.94 3.89 0.27 1.70 0.41 -1.26 -4.27 118.70 114.51 1jae s GLU 275 Ca 0.65 1.92 0.00 0.00 -0.41 0.00 0.00 54.97 57.13 1jae s GLU 275 Cb -0.19 -2.60 0.63 0.00 -1.78 0.00 0.00 34.13 30.20 1jae s GLU 275 CO 0.58 -0.48 1.67 0.78 -0.49 0.00 0.00 175.26 177.32 1jae h GLY 276 N 2.42 1.29 2.00 -1.39 0.00 -1.94 -0.97 103.07 104.48 1jae h GLY 276 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1jae h GLY 276 CO 0.62 -0.29 0.00 1.41 0.00 0.00 0.00 176.54 178.28 1jae h LEU 277 N 0.28 0.00 -1.59 3.11 3.38 -1.96 -1.66 115.31 116.86 1jae h LEU 277 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1jae h LEU 277 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1jae h LEU 277 CO -0.58 0.00 -0.13 0.47 0.09 0.00 0.00 178.44 178.29 1jae n ASP 278 N -2.70 2.61 -4.52 -0.43 8.00 -0.38 -4.90 116.55 114.23 1jae n ASP 278 Ca -0.00 -1.82 -0.32 0.00 0.71 0.00 0.00 54.79 53.36 1jae n ASP 278 Cb 0.16 0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.27 1jae n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jae s ALA 279 N -2.14 2.80 -0.19 2.24 0.00 -0.63 -0.50 121.76 123.34 1jae s ALA 279 Ca 0.26 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1jae s ALA 279 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1jae s ALA 279 CO 0.38 0.58 -0.12 0.08 0.00 0.00 0.00 175.76 176.68 1jae s VAL 280 N -0.87 2.77 0.26 0.00 1.01 -0.82 -1.36 120.40 121.39 1jae s VAL 280 Ca 0.14 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.50 1jae s VAL 280 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1jae s VAL 280 CO 0.04 0.48 0.06 0.68 0.00 0.00 0.00 175.10 176.36 1jae s VAL 281 N 1.28 3.74 -0.15 2.92 -7.23 0.86 -1.07 120.40 120.75 1jae s VAL 281 Ca 0.03 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1jae s VAL 281 Cb -0.14 -3.01 0.13 0.00 0.56 0.00 0.00 36.38 33.92 1jae s VAL 281 CO -0.06 -0.36 1.01 0.72 -0.31 0.00 0.00 175.10 176.09 1jae s PHE 282 N -2.27 -0.34 -0.06 2.82 -0.71 -1.26 -0.76 117.98 115.39 1jae s PHE 282 Ca 0.32 0.54 -0.22 0.00 -1.04 0.00 0.00 56.93 56.53 1jae s PHE 282 Cb -0.07 0.46 -0.31 0.00 -1.21 0.00 0.00 43.02 41.90 1jae s PHE 282 CO 0.21 -0.35 0.86 0.28 -1.34 0.00 0.00 175.22 174.89 1jae h VAL 283 N 2.46 1.52 -3.90 -2.49 2.07 -1.94 -3.32 116.25 110.65 1jae h VAL 283 Ca -0.18 -2.51 -0.11 0.00 0.82 0.00 0.00 66.70 64.72 1jae h VAL 283 Cb 1.17 3.19 -0.16 0.00 -1.52 0.00 0.00 31.29 33.98 1jae h VAL 283 CO 0.30 0.70 -0.50 1.51 0.02 0.00 0.00 177.57 179.60 1jae s ASP 284 N -6.90 0.23 0.43 0.57 -4.77 -1.26 -4.54 116.67 100.44 1jae s ASP 284 Ca -0.15 -0.69 0.04 0.00 -3.30 0.00 0.00 52.55 48.46 1jae s ASP 284 Cb 0.01 0.26 -0.01 0.00 -1.09 0.00 0.00 42.92 42.08 1jae s ASP 284 CO 0.81 -0.61 0.14 -0.46 0.70 0.00 0.00 175.17 175.75 1jae n ASN 285 N 0.30 1.37 0.15 2.11 6.94 -1.26 -4.46 115.26 120.42 1jae n ASN 285 Ca -0.16 -3.27 0.06 0.00 -0.02 0.00 0.00 54.58 51.19 1jae n ASN 285 Cb 0.61 1.03 0.52 0.00 -2.36 0.00 0.00 39.78 39.58 1jae n ASN 285 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1jae h HIS 286 N 1.68 0.21 0.04 -2.53 2.07 -1.99 -2.28 115.15 112.34 1jae h HIS 286 Ca -0.34 -0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1jae h HIS 286 Cb 1.27 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1jae h HIS 286 CO 0.00 0.18 -0.02 -0.44 -3.07 0.00 0.00 177.93 174.58 1jae h ASP 287 N 0.22 -0.04 0.53 3.10 3.32 -2.01 -3.38 116.42 118.15 1jae h ASP 287 Ca 0.06 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1jae h ASP 287 Cb 0.06 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1jae h ASP 287 CO -0.01 0.48 0.00 -0.46 -1.72 0.00 0.00 179.24 177.53 1jae n ASN 288 N -4.80 0.29 0.15 6.45 0.23 -1.22 -1.43 115.26 114.92 1jae n ASN 288 Ca -0.01 0.58 0.13 0.00 -0.53 0.00 0.00 54.58 54.75 1jae n ASN 288 Cb 0.04 -0.64 0.43 0.00 -2.08 0.00 0.00 39.78 37.53 1jae n ASN 288 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1jae h GLN 289 N 0.00 0.00 0.00 -3.83 3.07 -1.58 0.13 115.11 112.89 1jae h GLN 289 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 58.65 58.35 1jae h GLN 289 Cb 0.26 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.77 1jae h GLN 289 CO 0.00 0.00 -2.18 0.54 0.09 0.00 0.00 178.83 177.28 1jae n ARG 290 N -2.50 0.58 -0.07 0.06 1.74 -0.52 -4.75 116.66 111.20 1jae n ARG 290 Ca 0.04 0.32 0.08 0.00 -0.77 0.00 0.00 57.85 57.51 1jae n ARG 290 Cb 0.37 -1.54 0.11 0.00 -1.02 0.00 0.00 32.46 30.38 1jae n ARG 290 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jae n THR 291 N -4.30 1.62 0.34 0.55 -2.24 -0.73 -4.75 114.28 104.76 1jae n THR 291 Ca -0.47 -1.91 0.14 0.00 -2.27 0.00 0.00 64.05 59.54 1jae n THR 291 Cb 0.82 -0.05 0.60 0.00 -2.10 0.00 0.00 70.33 69.60 1jae n THR 291 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1jae h GLY 292 N 0.00 0.00 0.00 3.38 0.00 -0.93 -3.47 103.07 102.05 1jae h GLY 292 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jae h GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1jae n GLY 293 N -0.15 -0.39 0.30 4.60 0.00 -1.26 -4.54 105.19 103.74 1jae n GLY 293 Ca 0.01 -1.83 0.17 0.00 0.00 0.00 0.00 46.02 44.37 1jae n GLY 293 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jae h SER 294 N 0.00 0.00 0.86 1.61 4.64 -1.97 -3.03 113.55 115.65 1jae h SER 294 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1jae h SER 294 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1jae h SER 294 CO 0.00 0.04 -0.27 1.56 -0.87 0.00 0.00 176.83 177.29 1jae h GLN 295 N 0.00 0.00 -6.30 4.77 1.08 -1.93 -3.44 115.11 109.29 1jae h GLN 295 Ca -0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1jae h GLN 295 Cb 0.14 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1jae h GLN 295 CO 0.00 0.27 0.39 0.42 -0.95 0.00 0.00 178.83 178.96 1jae s ILE 296 N -3.68 4.87 0.01 2.54 -1.09 -1.15 -3.48 121.20 119.22 1jae s ILE 296 Ca 0.00 1.96 -0.19 0.00 -2.23 0.00 0.00 60.65 60.19 1jae s ILE 296 Cb 0.11 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.65 1jae s ILE 296 CO 0.65 0.12 0.53 -0.76 -1.23 0.00 0.00 174.94 174.25 1jae s LEU 297 N 1.32 4.46 0.33 2.97 1.43 -1.26 -4.96 118.68 122.97 1jae s LEU 297 Ca 0.48 1.12 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 1jae s LEU 297 Cb -0.20 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1jae s LEU 297 CO 0.23 0.20 0.26 0.42 0.23 0.00 0.00 176.35 177.70 1jae s THR 298 N -0.64 0.04 0.32 5.49 -4.23 -1.26 -4.33 115.64 111.03 1jae s THR 298 Ca 0.28 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.11 1jae s THR 298 Cb -0.18 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.50 1jae s THR 298 CO 0.16 0.00 1.98 0.10 -0.54 0.00 0.00 174.62 176.32 1jae h TYR 299 N 2.13 0.00 0.00 3.99 -0.00 -1.98 -0.94 116.97 120.17 1jae h TYR 299 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.47 1jae h TYR 299 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 1jae h TYR 299 CO 1.65 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 181.44 1jae n LYS 300 N -2.68 0.03 -3.23 0.10 5.02 -1.26 -3.31 118.16 112.83 1jae n LYS 300 Ca -0.02 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.18 1jae n LYS 300 Cb 0.12 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1jae n LYS 300 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jae n ASN 301 N -1.61 1.58 -0.25 4.39 4.05 -0.36 -5.03 115.26 118.03 1jae n ASN 301 Ca 0.05 -3.02 -0.07 0.00 0.45 0.00 0.00 54.58 51.99 1jae n ASN 301 Cb 0.26 -0.64 -0.02 0.00 1.23 0.00 0.00 39.78 40.62 1jae n ASN 301 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1jae h PRO 302 N 3.82 -0.15 0.64 1.20 0.11 -1.68 -2.48 132.00 133.46 1jae h PRO 302 Ca 0.11 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1jae h PRO 302 Cb 0.80 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1jae h PRO 302 CO 0.60 -0.10 -0.37 -0.22 -0.21 0.00 0.00 178.00 177.69 1jae h LYS 303 N -0.16 -0.92 0.00 1.05 3.64 -1.93 -0.43 116.57 117.83 1jae h LYS 303 Ca 0.22 0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1jae h LYS 303 Cb 0.56 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1jae h LYS 303 CO -0.76 -0.61 -0.24 -1.00 -2.27 0.00 0.00 179.45 174.57 1jae h PRO 304 N -0.95 0.00 -0.09 1.90 0.13 -1.88 -2.35 132.00 128.76 1jae h PRO 304 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1jae h PRO 304 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1jae h PRO 304 CO 0.10 0.24 0.03 -0.92 -0.23 0.00 0.00 178.00 177.22 1jae h TYR 305 N 0.00 0.14 -0.44 1.56 3.20 -1.16 -0.44 116.97 119.83 1jae h TYR 305 Ca -0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1jae h TYR 305 Cb 0.62 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1jae h TYR 305 CO 0.00 0.27 0.02 0.87 -1.64 0.00 0.00 178.16 177.68 1jae h LYS 306 N -0.03 0.71 -0.43 1.82 1.57 -0.91 -0.97 116.57 118.32 1jae h LYS 306 Ca 0.03 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1jae h LYS 306 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1jae h LYS 306 CO -0.00 0.71 0.18 0.52 -0.57 0.00 0.00 179.45 180.29 1jae h MET 307 N 0.67 0.64 -0.66 3.15 2.86 -1.13 0.15 114.93 120.60 1jae h MET 307 Ca 0.14 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1jae h MET 307 Cb 0.38 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1jae h MET 307 CO 0.01 0.58 0.31 0.00 1.06 0.00 0.00 176.91 178.87 1jae h ALA 308 N 1.03 0.85 -0.57 6.32 0.00 -0.61 0.25 119.26 126.52 1jae h ALA 308 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jae h ALA 308 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jae h ALA 308 CO -0.01 0.42 0.05 0.82 0.00 0.00 0.00 179.25 180.53 1jae h ILE 309 N 0.92 1.26 -0.76 0.00 2.04 -0.94 -1.02 117.51 119.01 1jae h ILE 309 Ca 0.23 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 1jae h ILE 309 Cb 0.13 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1jae h ILE 309 CO -0.03 0.38 0.28 0.00 0.00 0.00 0.00 178.15 178.79 1jae h ALA 310 N 0.99 0.98 -0.42 1.87 0.00 -0.17 0.48 119.26 122.99 1jae h ALA 310 Ca 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jae h ALA 310 Cb 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jae h ALA 310 CO 0.02 0.63 0.06 0.35 0.00 0.00 0.00 179.25 180.31 1jae h PHE 311 N 1.10 0.75 -0.19 0.00 3.57 -0.74 0.34 116.94 121.76 1jae h PHE 311 Ca 0.25 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1jae h PHE 311 Cb 0.24 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1jae h PHE 311 CO 0.02 0.72 0.08 1.98 -2.23 0.00 0.00 178.31 178.88 1jae h MET 312 N 0.55 0.17 0.00 1.11 4.05 -0.67 -0.16 114.93 119.98 1jae h MET 312 Ca 0.13 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.47 1jae h MET 312 Cb 0.38 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1jae h MET 312 CO 0.01 0.11 -0.33 -0.07 0.23 0.00 0.00 176.91 176.86 1jae h LEU 313 N 0.17 0.00 0.00 3.39 3.38 -0.74 -3.12 115.31 118.39 1jae h LEU 313 Ca 0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1jae h LEU 313 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jae h LEU 313 CO -0.07 0.33 -1.15 0.00 0.09 0.00 0.00 178.44 177.64 1jae h ALA 314 N 1.67 0.59 -2.71 1.53 0.00 -0.61 -3.39 119.26 116.35 1jae h ALA 314 Ca -0.00 -0.93 -0.52 0.00 0.00 0.00 0.00 54.91 53.46 1jae h ALA 314 Cb 0.79 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1jae h ALA 314 CO 0.04 1.12 0.22 -1.58 0.00 0.00 0.00 179.25 179.06 1jae s HIS 315 N -2.78 3.90 -0.78 0.00 5.65 -0.10 -4.94 115.29 116.24 1jae s HIS 315 Ca -0.01 1.69 0.18 0.00 0.25 0.00 0.00 55.06 57.18 1jae s HIS 315 Cb 0.09 -2.81 0.76 0.00 -1.18 0.00 0.00 32.58 29.43 1jae s HIS 315 CO 0.80 0.48 1.56 -0.35 -0.65 0.00 0.00 174.74 176.58 1jae n PRO 316 N 1.47 0.08 -1.93 2.88 -0.04 -1.26 -4.81 135.00 131.40 1jae n PRO 316 Ca -0.04 0.33 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 1jae n PRO 316 Cb 0.48 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1jae n PRO 316 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1jae s TYR 317 N -3.14 2.38 0.28 0.54 6.14 -1.26 -4.88 117.35 117.41 1jae s TYR 317 Ca 0.06 0.30 0.00 0.00 0.64 0.00 0.00 57.07 58.07 1jae s TYR 317 Cb 0.09 -3.97 0.00 0.00 0.42 0.00 0.00 41.96 38.51 1jae s TYR 317 CO 0.31 -3.89 0.00 0.41 0.64 0.00 0.00 175.55 173.02 1jae n GLY 318 N 4.01 -1.88 3.73 8.97 0.00 -1.24 -4.84 105.19 113.95 1jae n GLY 318 Ca 0.16 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 1jae n GLY 318 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jae s THR 319 N -2.12 5.28 -0.05 2.61 2.01 -0.46 -4.93 115.64 117.98 1jae s THR 319 Ca 0.00 0.62 -0.09 0.00 0.31 0.00 0.00 61.69 62.52 1jae s THR 319 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1jae s THR 319 CO 0.00 0.38 0.26 0.42 -0.69 0.00 0.00 174.62 174.99 1jae s THR 320 N 0.46 5.30 -0.02 -0.82 -4.23 -1.26 -0.10 115.64 114.98 1jae s THR 320 Ca 0.18 0.40 0.05 0.00 -1.18 0.00 0.00 61.69 61.14 1jae s THR 320 Cb -0.13 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 1jae s THR 320 CO 0.05 0.54 -0.17 -0.60 -0.54 0.00 0.00 174.62 173.91 1jae s ARG 321 N -1.23 1.45 -0.14 3.99 3.52 0.06 -1.26 118.95 125.34 1jae s ARG 321 Ca 0.21 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 1jae s ARG 321 Cb -0.14 -1.36 -0.00 0.00 -1.56 0.00 0.00 34.95 31.89 1jae s ARG 321 CO 0.10 0.33 -0.17 0.42 -0.81 0.00 0.00 175.30 175.17 1jae s ILE 322 N -0.28 2.60 0.29 4.11 1.01 0.12 -4.41 121.20 124.64 1jae s ILE 322 Ca 0.04 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1jae s ILE 322 Cb -0.08 -2.08 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 1jae s ILE 322 CO 0.00 0.53 1.06 -0.32 0.00 0.00 0.00 174.94 176.21 1jae s MET 323 N 0.65 4.62 -0.25 2.79 -2.45 -1.26 -0.49 119.30 122.91 1jae s MET 323 Ca -0.09 1.70 -0.01 0.00 -1.25 0.00 0.00 55.69 56.04 1jae s MET 323 Cb -0.16 -3.12 0.07 0.00 1.25 0.00 0.00 34.83 32.88 1jae s MET 323 CO 0.02 0.23 0.04 0.45 1.05 0.00 0.00 175.02 176.81 1jae s SER 324 N -1.04 3.54 0.37 1.11 0.15 -0.81 -4.36 113.70 112.67 1jae s SER 324 Ca 0.46 -1.21 0.07 0.00 0.70 0.00 0.00 55.95 55.97 1jae s SER 324 Cb -0.29 -0.83 -0.00 0.00 -1.71 0.00 0.00 66.02 63.18 1jae s SER 324 CO 0.37 -0.33 0.51 -0.44 1.20 0.00 0.00 173.24 174.55 1jae s SER 325 N 1.66 5.86 -0.03 5.45 0.01 -1.26 -3.16 113.70 122.23 1jae s SER 325 Ca 0.02 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1jae s SER 325 Cb -0.18 -1.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 1jae s SER 325 CO -0.14 -0.55 -0.00 0.72 0.41 0.00 0.00 173.24 173.68 1jae s PHE 326 N -2.24 3.09 0.20 2.43 -0.12 -1.26 -0.13 117.98 119.94 1jae s PHE 326 Ca 0.48 0.10 -0.31 0.00 -0.05 0.00 0.00 56.93 57.16 1jae s PHE 326 Cb -0.10 -1.70 -0.10 0.00 -0.63 0.00 0.00 43.02 40.49 1jae s PHE 326 CO 0.32 0.46 1.50 0.34 -0.05 0.00 0.00 175.22 177.78 1jae s ASP 327 N -1.35 6.63 0.01 1.98 2.15 0.78 -4.78 116.67 122.10 1jae s ASP 327 Ca 0.18 2.62 -0.05 0.00 0.43 0.00 0.00 52.55 55.73 1jae s ASP 327 Cb -0.11 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.89 1jae s ASP 327 CO 0.08 -0.76 0.07 0.72 -0.17 0.00 0.00 175.17 175.11 1jae s PHE 328 N 0.61 0.14 -0.01 -5.34 -0.71 -1.26 -4.99 117.98 106.42 1jae s PHE 328 Ca 0.65 -0.32 0.03 0.00 -1.04 0.00 0.00 56.93 56.25 1jae s PHE 328 Cb -0.42 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.24 1jae s PHE 328 CO 0.37 -0.26 0.05 0.25 -1.34 0.00 0.00 175.22 174.28 1jae n THR 329 N 1.41 0.02 -5.17 -4.49 -2.24 -1.26 -5.00 114.28 97.56 1jae n THR 329 Ca -0.23 -0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1jae n THR 329 Cb 0.56 0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.89 1jae n THR 329 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jae s ASP 330 N -2.43 2.81 0.60 3.42 2.15 -1.26 -5.03 116.67 116.93 1jae s ASP 330 Ca -0.01 -0.45 0.36 0.00 0.43 0.00 0.00 52.55 52.88 1jae s ASP 330 Cb 0.02 -0.59 1.89 0.00 -0.30 0.00 0.00 42.92 43.93 1jae s ASP 330 CO 0.11 0.25 2.20 0.78 -0.17 0.00 0.00 175.17 178.34 1jae h ASN 331 N 5.89 0.00 0.44 -0.34 -0.26 -1.94 -2.52 115.58 116.84 1jae h ASN 331 Ca -0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 1jae h ASN 331 Cb 1.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1jae h ASN 331 CO 0.47 0.03 -1.02 0.47 -1.06 0.00 0.00 177.43 176.33 1jae n ASP 332 N -3.34 0.61 -4.62 5.81 8.00 -1.26 -4.94 116.55 116.81 1jae n ASP 332 Ca -0.02 -0.21 -0.53 0.00 0.71 0.00 0.00 54.79 54.75 1jae n ASP 332 Cb 0.16 0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 41.99 1jae n ASP 332 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1jae n GLN 333 N -1.97 1.24 -2.31 -1.24 7.27 -0.95 -3.83 117.38 115.59 1jae n GLN 333 Ca 0.02 0.45 -0.25 0.00 0.07 0.00 0.00 57.00 57.29 1jae n GLN 333 Cb 0.44 -2.12 0.10 0.00 2.41 0.00 0.00 30.24 31.07 1jae n GLN 333 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1jae s GLY 334 N 1.27 1.74 0.97 1.69 0.00 -1.26 -3.93 107.32 107.81 1jae s GLY 334 Ca 0.87 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 44.22 1jae s GLY 334 CO 0.50 -0.75 1.08 2.56 0.00 0.00 0.00 173.10 176.50 1jae s PRO 335 N -5.28 0.61 0.12 2.90 0.04 -1.26 -4.86 135.00 127.27 1jae s PRO 335 Ca 0.64 0.90 -0.35 0.00 0.04 0.00 0.00 61.00 62.23 1jae s PRO 335 Cb -0.08 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.58 1jae s PRO 335 CO 0.45 -2.71 1.45 -2.30 0.04 0.00 0.00 177.00 173.94 1jae n PRO 336 N -4.21 1.64 -3.97 0.56 -0.02 -1.26 -4.92 135.00 122.81 1jae n PRO 336 Ca 0.07 0.59 -0.08 0.00 -2.02 0.00 0.00 63.50 62.05 1jae n PRO 336 Cb 0.55 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 1jae n PRO 336 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1jae s GLN 337 N 0.68 0.67 0.00 -0.52 -2.07 -1.26 -1.22 119.66 115.94 1jae s GLN 337 Ca 0.82 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 1jae s GLN 337 Cb -0.82 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.36 1jae s GLN 337 CO 0.42 -0.17 0.00 -0.40 -1.32 0.00 0.00 175.29 173.83 1jae n ASP 338 N 0.28 0.00 0.24 12.60 5.68 0.08 -4.86 116.55 130.57 1jae n ASP 338 Ca -0.16 -0.98 0.16 0.00 -0.50 0.00 0.00 54.79 53.32 1jae n ASP 338 Cb 0.61 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.32 1jae n ASP 338 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jae h GLY 339 N 0.00 0.00 -2.27 6.12 0.00 -2.03 -2.19 103.07 102.70 1jae h GLY 339 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jae h GLY 339 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1jae n SER 340 N -2.77 3.48 0.00 0.19 7.64 -1.26 -4.94 113.62 115.95 1jae n SER 340 Ca -0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1jae n SER 340 Cb 0.20 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1jae n SER 340 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jae n GLY 341 N 1.44 0.66 3.79 0.23 0.00 -0.82 -5.04 105.19 105.45 1jae n GLY 341 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1jae n GLY 341 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jae s ASN 342 N -2.17 7.27 0.35 1.61 0.02 -1.26 -4.78 114.94 115.99 1jae s ASN 342 Ca 0.00 1.69 -0.28 0.00 -1.02 0.00 0.00 52.86 53.25 1jae s ASN 342 Cb 0.00 -2.52 -0.10 0.00 0.02 0.00 0.00 41.25 38.65 1jae s ASN 342 CO 0.00 0.01 1.29 -0.76 0.02 0.00 0.00 177.10 177.66 1jae s LEU 343 N -1.89 4.36 -0.21 0.60 1.43 -1.26 -0.74 118.68 120.96 1jae s LEU 343 Ca 0.46 2.65 -0.16 0.00 -1.03 0.00 0.00 54.13 56.06 1jae s LEU 343 Cb -0.19 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.26 1jae s LEU 343 CO 0.24 -0.62 0.39 -0.63 0.23 0.00 0.00 176.35 175.96 1jae s ILE 344 N -1.19 5.20 0.50 -0.59 1.01 -0.36 -4.83 121.20 120.95 1jae s ILE 344 Ca 0.51 0.68 -0.21 0.00 0.00 0.00 0.00 60.65 61.63 1jae s ILE 344 Cb -0.39 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 1jae s ILE 344 CO 0.51 0.24 1.14 -0.44 0.00 0.00 0.00 174.94 176.39 1jae s SER 345 N 1.11 5.95 0.37 3.58 0.01 -1.26 -4.79 113.70 118.67 1jae s SER 345 Ca 0.18 2.23 -0.27 0.00 1.31 0.00 0.00 55.95 59.41 1jae s SER 345 Cb -0.15 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.40 1jae s SER 345 CO 0.08 -1.06 1.23 -2.84 0.41 0.00 0.00 173.24 171.05 1jae s PRO 346 N -3.00 4.19 0.27 12.44 0.02 -1.26 -4.83 135.00 142.83 1jae s PRO 346 Ca 0.68 2.01 0.08 0.00 0.02 0.00 0.00 61.00 63.79 1jae s PRO 346 Cb -0.26 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 1jae s PRO 346 CO 0.30 -0.25 0.09 0.20 -0.33 0.00 0.00 177.00 177.01 1jae s GLY 347 N -0.84 1.60 -0.23 0.52 0.00 -1.23 -4.93 107.32 102.22 1jae s GLY 347 Ca 0.53 -1.59 -0.06 0.00 0.00 0.00 0.00 44.72 43.61 1jae s GLY 347 CO 0.45 -1.63 0.01 -0.42 0.00 0.00 0.00 173.10 171.52 1jae s ILE 348 N -2.27 3.88 0.92 0.90 -1.09 -1.26 -0.51 121.20 121.77 1jae s ILE 348 Ca 0.33 -0.32 -0.12 0.00 -2.23 0.00 0.00 60.65 58.30 1jae s ILE 348 Cb -0.06 -2.79 0.14 0.00 -1.58 0.00 0.00 42.46 38.17 1jae s ILE 348 CO 0.22 0.39 1.13 0.20 -1.23 0.00 0.00 174.94 175.65 1jae s ASN 349 N 1.44 3.38 0.32 3.58 0.01 0.90 -4.91 114.94 119.66 1jae s ASN 349 Ca 0.05 1.03 0.25 0.00 -0.71 0.00 0.00 52.86 53.48 1jae s ASN 349 Cb -0.15 -1.63 1.14 0.00 0.41 0.00 0.00 41.25 41.02 1jae s ASN 349 CO 0.01 -2.64 1.74 -2.24 -1.51 0.00 0.00 177.10 172.46 1jae h ASP 350 N -1.56 0.00 -0.63 -1.22 3.04 -1.99 -0.96 116.42 113.10 1jae h ASP 350 Ca -0.51 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 1jae h ASP 350 Cb 1.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.62 1jae h ASP 350 CO 0.61 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.91 1jae n ASP 351 N -2.35 4.74 -0.16 4.15 5.68 -1.26 -4.94 116.55 122.41 1jae n ASP 351 Ca 0.01 -2.48 -0.02 0.00 -0.50 0.00 0.00 54.79 51.80 1jae n ASP 351 Cb 0.17 -0.57 -0.01 0.00 -1.14 0.00 0.00 41.12 39.56 1jae n ASP 351 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jae n ASN 352 N 1.03 -4.25 -4.87 -1.12 5.03 -0.37 -5.02 115.26 105.69 1jae n ASN 352 Ca 0.25 0.05 -0.21 0.00 0.87 0.00 0.00 54.58 55.54 1jae n ASN 352 Cb 0.89 -1.93 0.07 0.00 -1.02 0.00 0.00 39.78 37.79 1jae n ASN 352 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1jae s THR 353 N -1.74 2.38 0.04 3.41 -4.23 -1.26 -4.81 115.64 109.43 1jae s THR 353 Ca 0.00 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1jae s THR 353 Cb 0.00 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1jae s THR 353 CO 0.00 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.30 1jae n SER 355 N 0.50 2.17 -0.71 0.00 3.41 0.33 -4.64 113.62 114.69 1jae n SER 355 Ca -0.07 -2.47 -0.09 0.00 -0.26 0.00 0.00 58.87 55.98 1jae n SER 355 Cb 0.52 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1jae n SER 355 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jae n ASN 356 N -2.12 -4.50 0.00 4.04 3.02 -1.26 -3.47 115.26 110.97 1jae n ASN 356 Ca 0.05 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1jae n ASN 356 Cb 0.52 -2.81 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 1jae n ASN 356 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jae n GLY 357 N -1.33 0.88 3.69 7.41 0.00 -1.26 -4.77 105.19 109.80 1jae n GLY 357 Ca -0.09 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1jae n GLY 357 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jae s TYR 358 N -2.00 3.31 0.15 1.61 2.02 -1.23 -0.15 117.35 121.07 1jae s TYR 358 Ca 0.00 0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.85 1jae s TYR 358 Cb 0.00 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1jae s TYR 358 CO 0.00 0.29 1.38 0.28 -1.57 0.00 0.00 175.55 175.93 1jae h VAL 359 N 4.64 1.38 -6.44 0.71 2.07 -0.84 -3.41 116.25 114.37 1jae h VAL 359 Ca -0.41 -2.22 -0.48 0.00 0.82 0.00 0.00 66.70 64.40 1jae h VAL 359 Cb 1.18 2.20 0.04 0.00 -1.52 0.00 0.00 31.29 33.18 1jae h VAL 359 CO 0.68 0.67 -0.95 0.00 0.02 0.00 0.00 177.57 177.99 1jae h GLU 361 N -2.05 0.04 0.00 0.00 3.07 -1.88 0.94 114.58 114.70 1jae h GLU 361 Ca -0.67 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.19 1jae h GLU 361 Cb 1.37 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1jae h GLU 361 CO 0.52 0.03 0.00 1.12 -1.40 0.00 0.00 179.01 179.27 1jae h HIS 362 N 0.04 0.00 -0.02 4.33 2.07 -1.89 -1.45 115.15 118.23 1jae h HIS 362 Ca 0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 1jae h HIS 362 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1jae h HIS 362 CO -0.00 0.00 -0.14 0.54 -3.07 0.00 0.00 177.93 175.26 1jae n ARG 363 N -2.65 1.58 -2.25 5.12 1.74 0.32 -4.05 116.66 116.48 1jae n ARG 363 Ca -0.00 -1.12 -0.41 0.00 -0.77 0.00 0.00 57.85 55.54 1jae n ARG 363 Cb 0.18 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 1jae n ARG 363 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1jae s TRP 364 N -2.19 3.29 0.28 -1.55 0.52 -0.55 -4.87 118.94 113.85 1jae s TRP 364 Ca 0.29 1.29 0.01 0.00 0.02 0.00 0.00 56.10 57.71 1jae s TRP 364 Cb 0.20 -3.56 0.54 0.00 -1.15 0.00 0.00 33.47 29.50 1jae s TRP 364 CO 0.41 -1.69 1.81 -0.09 0.02 0.00 0.00 176.95 177.41 1jae h ARG 365 N 5.14 0.86 0.00 4.98 2.43 -1.90 -0.18 114.38 125.70 1jae h ARG 365 Ca -0.45 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 1jae h ARG 365 Cb 1.22 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1jae h ARG 365 CO 0.75 0.57 -0.25 1.96 -1.51 0.00 0.00 179.97 181.49 1jae h GLN 366 N 0.89 0.00 0.00 0.20 7.50 -1.78 0.15 115.11 122.07 1jae h GLN 366 Ca 0.49 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.60 1jae h GLN 366 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.06 1jae h GLN 366 CO -0.29 0.25 -0.28 0.28 -1.50 0.00 0.00 178.83 177.29 1jae h VAL 367 N 0.00 0.75 0.00 -0.54 2.07 -1.36 -3.09 116.25 114.08 1jae h VAL 367 Ca -0.00 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 65.84 1jae h VAL 367 Cb 0.47 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1jae h VAL 367 CO 0.03 0.25 -0.21 0.10 0.02 0.00 0.00 177.57 177.77 1jae h TYR 368 N -1.00 0.00 -0.70 1.57 -0.00 -1.20 -1.41 116.97 114.23 1jae h TYR 368 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.62 1jae h TYR 368 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.32 1jae h TYR 368 CO 0.07 0.21 0.21 0.78 -0.00 0.00 0.00 178.16 179.44 1jae h GLY 369 N 1.23 1.15 2.00 0.10 0.00 -0.82 -1.44 103.07 105.29 1jae h GLY 369 Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 1jae h GLY 369 CO 0.03 0.63 -0.42 -0.33 0.00 0.00 0.00 176.54 176.44 1jae h MET 370 N 1.03 0.00 -0.40 4.80 2.86 -1.20 -1.12 114.93 120.91 1jae h MET 370 Ca 0.23 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.74 1jae h MET 370 Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1jae h MET 370 CO -0.01 0.42 -0.26 0.28 1.06 0.00 0.00 176.91 178.41 1jae h VAL 371 N 0.00 1.27 -0.64 -2.22 2.07 -0.94 0.47 116.25 116.27 1jae h VAL 371 Ca -0.00 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1jae h VAL 371 Cb 1.14 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1jae h VAL 371 CO 0.05 0.47 0.21 1.23 0.02 0.00 0.00 177.57 179.55 1jae h GLY 372 N 0.93 1.06 0.95 2.17 0.00 -0.89 -1.76 103.07 105.53 1jae h GLY 372 Ca 0.09 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1jae h GLY 372 CO 0.07 0.58 0.04 -2.75 0.00 0.00 0.00 176.54 174.47 1jae h PHE 373 N 0.91 0.07 -0.74 5.60 3.04 -0.80 -1.43 116.94 123.59 1jae h PHE 373 Ca 0.21 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.21 1jae h PHE 373 Cb 0.28 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 1jae h PHE 373 CO 0.02 0.04 0.49 -0.09 -2.02 0.00 0.00 178.31 176.74 1jae h ARG 374 N 0.09 0.82 -0.42 1.11 2.43 -0.61 -1.48 114.38 116.32 1jae h ARG 374 Ca 0.04 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1jae h ARG 374 Cb 0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1jae h ARG 374 CO -0.03 0.55 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.79 1jae h ASN 375 N 0.85 0.94 0.58 -3.80 2.35 -0.82 -3.10 115.58 112.57 1jae h ASN 375 Ca 0.30 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1jae h ASN 375 Cb 0.13 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1jae h ASN 375 CO -0.09 1.15 -0.28 0.00 -1.65 0.00 0.00 177.43 176.55 1jae h ALA 376 N 0.91 1.19 -0.63 -0.83 0.00 -0.27 -3.11 119.26 116.53 1jae h ALA 376 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jae h ALA 376 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jae h ALA 376 CO 0.07 0.36 0.00 1.33 0.00 0.00 0.00 179.25 181.01 1jae n VAL 377 N -3.71 1.55 -1.63 0.00 0.24 -0.80 -4.87 118.33 109.11 1jae n VAL 377 Ca -0.01 -1.16 -0.48 0.00 -2.04 0.00 0.00 64.34 60.65 1jae n VAL 377 Cb 0.39 0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 1jae n VAL 377 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1jae n GLU 378 N 1.14 1.62 -0.35 7.34 4.07 -1.18 -1.95 120.64 131.33 1jae n GLU 378 Ca 0.24 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 1jae n GLU 378 Cb 0.77 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.92 1jae n GLU 378 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jae n GLY 379 N 2.63 1.07 3.98 8.31 0.00 -1.26 -5.05 105.19 114.86 1jae n GLY 379 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1jae n GLY 379 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jae s THR 380 N -2.90 3.10 0.39 2.61 -4.23 -0.82 -5.06 115.64 108.73 1jae s THR 380 Ca 0.00 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.82 1jae s THR 380 Cb 0.00 -3.11 -0.07 0.00 1.34 0.00 0.00 72.50 70.66 1jae s THR 380 CO 0.00 -0.06 0.02 -1.10 -0.54 0.00 0.00 174.62 172.93 1jae s GLN 381 N -4.56 1.99 0.14 3.99 -0.21 -1.26 -4.84 119.66 114.91 1jae s GLN 381 Ca 0.54 -2.00 -0.30 0.00 0.02 0.00 0.00 55.36 53.62 1jae s GLN 381 Cb -0.10 -1.74 -0.07 0.00 1.00 0.00 0.00 33.01 32.10 1jae s GLN 381 CO 0.36 -0.01 1.23 0.08 -2.12 0.00 0.00 175.29 174.83 1jae s VAL 382 N -2.65 3.67 0.20 1.09 1.01 -1.26 -0.96 120.40 121.49 1jae s VAL 382 Ca 0.36 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.59 1jae s VAL 382 Cb 0.07 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1jae s VAL 382 CO 0.19 0.16 0.20 -1.61 0.00 0.00 0.00 175.10 174.03 1jae s GLU 383 N 0.38 1.22 -1.50 2.72 2.02 0.45 -4.87 118.70 119.13 1jae s GLU 383 Ca 0.57 -1.50 -0.13 0.00 0.02 0.00 0.00 54.97 53.93 1jae s GLU 383 Cb -0.32 0.31 0.09 0.00 0.10 0.00 0.00 34.13 34.30 1jae s GLU 383 CO 0.33 -0.42 0.82 0.09 0.02 0.00 0.00 175.26 176.11 1jae n ASN 384 N -0.26 -4.53 -4.77 -0.19 4.13 -1.26 -0.23 115.26 108.15 1jae n ASN 384 Ca -0.00 -0.68 -0.41 0.00 1.68 0.00 0.00 54.58 55.16 1jae n ASN 384 Cb 0.65 -3.65 -0.01 0.00 -1.54 0.00 0.00 39.78 35.23 1jae n ASN 384 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 1jae s TRP 385 N -3.20 2.66 0.01 3.10 -0.11 -1.26 -4.21 118.94 115.92 1jae s TRP 385 Ca 0.59 1.01 -0.08 0.00 1.22 0.00 0.00 56.10 58.84 1jae s TRP 385 Cb -0.30 -4.04 0.00 0.00 -1.50 0.00 0.00 33.47 27.63 1jae s TRP 385 CO 0.73 -3.24 0.14 -0.46 -4.62 0.00 0.00 176.95 169.51 1jae s TRP 386 N -0.65 0.04 0.08 5.86 -0.00 0.13 -4.97 118.94 119.43 1jae s TRP 386 Ca 0.57 -0.15 -0.26 0.00 -0.00 0.00 0.00 56.10 56.26 1jae s TRP 386 Cb -0.47 -0.05 0.07 0.00 -0.00 0.00 0.00 33.47 33.03 1jae s TRP 386 CO 0.57 -0.30 0.65 -1.54 -0.00 0.00 0.00 176.95 176.32 1jae s SER 387 N -1.46 -0.58 -0.21 5.86 1.04 -1.26 -0.54 113.70 116.55 1jae s SER 387 Ca -0.14 0.24 0.09 0.00 0.48 0.00 0.00 55.95 56.63 1jae s SER 387 Cb -0.07 0.56 0.59 0.00 0.10 0.00 0.00 66.02 67.21 1jae s SER 387 CO 0.01 -0.82 1.48 -0.46 0.98 0.00 0.00 173.24 174.43 1jae n ASN 388 N 0.07 4.37 -1.56 7.02 6.94 -0.60 -4.87 115.26 126.63 1jae n ASN 388 Ca -0.17 -2.79 -0.19 0.00 -0.02 0.00 0.00 54.58 51.41 1jae n ASN 388 Cb 0.62 -0.66 -0.07 0.00 -2.36 0.00 0.00 39.78 37.31 1jae n ASN 388 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1jae n ASP 389 N 0.25 -5.34 0.00 0.53 9.92 -1.26 -4.79 116.55 115.86 1jae n ASP 389 Ca 0.25 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.92 1jae n ASP 389 Cb 1.04 -4.51 0.00 0.00 -0.64 0.00 0.00 41.12 37.01 1jae n ASP 389 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jae n ASP 390 N -1.17 0.00 -0.56 -2.24 2.03 -1.26 -4.94 116.55 108.41 1jae n ASP 390 Ca -0.20 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.18 1jae n ASP 390 Cb 0.64 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.23 1jae n ASP 390 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1jae n ASN 391 N 0.00 2.63 -4.08 1.67 3.02 -1.26 -2.01 115.26 115.23 1jae n ASN 391 Ca 0.00 -3.35 -0.29 0.00 -0.03 0.00 0.00 54.58 50.91 1jae n ASN 391 Cb 0.00 -0.51 -0.17 0.00 -0.61 0.00 0.00 39.78 38.49 1jae n ASN 391 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jae s GLN 392 N -3.00 2.40 0.07 3.52 -0.21 -1.26 -0.52 119.66 120.66 1jae s GLN 392 Ca 0.38 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 55.14 1jae s GLN 392 Cb 0.33 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 1jae s GLN 392 CO 0.02 -0.05 -0.05 0.96 -2.12 0.00 0.00 175.29 174.05 1jae s ILE 393 N 0.94 0.48 -0.04 1.08 -4.36 -0.91 -1.56 121.20 116.84 1jae s ILE 393 Ca -0.07 -1.81 -0.31 0.00 -0.26 0.00 0.00 60.65 58.20 1jae s ILE 393 Cb -0.15 -1.52 0.07 0.00 1.25 0.00 0.00 42.46 42.11 1jae s ILE 393 CO -0.02 -0.89 0.68 0.00 0.24 0.00 0.00 174.94 174.95 1jae s ALA 394 N -3.57 -1.76 0.02 2.27 0.00 0.30 -0.75 121.76 118.26 1jae s ALA 394 Ca 0.08 1.29 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 1jae s ALA 394 Cb 0.05 0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.30 1jae s ALA 394 CO -0.06 -0.39 0.81 -0.59 0.00 0.00 0.00 175.76 175.53 1jae s PHE 395 N -1.29 -0.42 0.26 0.00 -0.12 -0.63 0.17 117.98 115.95 1jae s PHE 395 Ca -0.11 0.36 0.09 0.00 -0.05 0.00 0.00 56.93 57.22 1jae s PHE 395 Cb -0.00 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1jae s PHE 395 CO 0.09 -0.61 0.06 -1.54 -0.05 0.00 0.00 175.22 173.17 1jae s SER 396 N -2.31 4.85 -0.52 1.98 1.04 0.67 -1.43 113.70 118.00 1jae s SER 396 Ca 0.02 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 1jae s SER 396 Cb -0.01 -1.02 0.14 0.00 0.10 0.00 0.00 66.02 65.23 1jae s SER 396 CO -0.07 -0.01 0.32 -0.13 0.98 0.00 0.00 173.24 174.33 1jae s ARG 397 N -3.72 2.29 6.80 4.02 1.81 0.21 -0.41 118.95 129.95 1jae s ARG 397 Ca 0.32 -2.16 0.00 0.00 -1.72 0.00 0.00 55.73 52.17 1jae s ARG 397 Cb -0.07 -3.67 0.00 0.00 -0.45 0.00 0.00 34.95 30.76 1jae s ARG 397 CO 0.21 -1.13 0.00 0.41 -0.68 0.00 0.00 175.30 174.12 1jae n GLY 398 N 4.07 3.34 0.83 -3.53 0.00 -0.13 -1.61 105.19 108.16 1jae n GLY 398 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.90 1jae n GLY 398 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jae n SER 399 N 3.53 2.07 -0.01 1.61 3.41 -1.26 -4.65 113.62 118.32 1jae n SER 399 Ca 0.00 -3.79 0.04 0.00 -0.26 0.00 0.00 58.87 54.86 1jae n SER 399 Cb 0.00 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.37 1jae n SER 399 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jae n GLN 400 N -0.99 0.65 -3.45 4.33 6.02 -0.63 -4.48 117.38 118.83 1jae n GLN 400 Ca 0.21 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1jae n GLN 400 Cb 0.75 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.73 1jae n GLN 400 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1jae s GLY 401 N -3.38 -0.58 -0.06 1.08 0.00 -1.10 -1.29 107.32 101.99 1jae s GLY 401 Ca -0.04 0.52 -0.05 0.00 0.00 0.00 0.00 44.72 45.15 1jae s GLY 401 CO 0.44 0.19 0.15 -0.12 0.00 0.00 0.00 173.10 173.75 1jae s PHE 402 N -3.49 -0.16 0.02 1.90 5.36 0.35 -0.62 117.98 121.33 1jae s PHE 402 Ca -0.00 0.40 0.01 0.00 -0.96 0.00 0.00 56.93 56.38 1jae s PHE 402 Cb -0.01 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.71 1jae s PHE 402 CO -0.11 -0.08 -0.04 0.54 -1.46 0.00 0.00 175.22 174.07 1jae s VAL 403 N 0.16 0.28 0.02 3.12 0.11 -0.51 -0.85 120.40 122.72 1jae s VAL 403 Ca -0.01 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 1jae s VAL 403 Cb -0.02 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1jae s VAL 403 CO -0.00 -0.22 -0.04 0.00 -3.33 0.00 0.00 175.10 171.51 1jae s ALA 404 N -0.82 0.26 0.05 1.54 0.00 -0.29 -1.60 121.76 120.89 1jae s ALA 404 Ca -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1jae s ALA 404 Cb -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1jae s ALA 404 CO -0.00 -0.06 -0.05 -0.06 0.00 0.00 0.00 175.76 175.59 1jae s PHE 405 N -0.99 0.56 -0.11 0.00 0.40 0.07 -0.89 117.98 117.01 1jae s PHE 405 Ca -0.09 -0.67 -0.05 0.00 -0.60 0.00 0.00 56.93 55.53 1jae s PHE 405 Cb -0.07 -0.35 0.05 0.00 0.51 0.00 0.00 43.02 43.16 1jae s PHE 405 CO -0.00 -0.17 0.24 -0.08 0.70 0.00 0.00 175.22 175.90 1jae s THR 406 N -2.18 -0.24 -0.17 0.64 -1.32 -0.74 -2.13 115.64 109.50 1jae s THR 406 Ca -0.06 0.23 0.14 0.00 -1.21 0.00 0.00 61.69 60.80 1jae s THR 406 Cb -0.05 -0.39 0.37 0.00 -1.51 0.00 0.00 72.50 70.91 1jae s THR 406 CO -0.03 0.10 1.19 -3.20 -2.21 0.00 0.00 174.62 170.47 1jae n ASN 407 N 4.86 1.88 0.00 8.08 5.15 0.32 -4.75 115.26 130.80 1jae n ASN 407 Ca -0.14 -3.51 0.00 0.00 -0.60 0.00 0.00 54.58 50.32 1jae n ASN 407 Cb 0.51 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1jae n ASN 407 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jae n GLY 408 N -1.15 -0.64 0.00 8.20 0.00 -1.25 -4.90 105.19 105.44 1jae n GLY 408 Ca 0.17 0.87 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1jae n GLY 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jae n GLY 409 N 0.00 -1.66 3.75 -0.02 0.00 -1.26 -4.67 105.19 101.33 1jae n GLY 409 Ca 0.00 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 1jae n GLY 409 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jae s ASP 410 N -4.02 7.38 -0.32 1.61 1.01 -1.26 -3.97 116.67 117.09 1jae s ASP 410 Ca 0.00 1.64 -0.15 0.00 0.71 0.00 0.00 52.55 54.75 1jae s ASP 410 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1jae s ASP 410 CO 0.00 0.06 0.34 -0.22 0.21 0.00 0.00 175.17 175.56 1jae s LEU 411 N -0.44 4.34 -0.30 1.23 0.20 0.34 -4.96 118.68 119.09 1jae s LEU 411 Ca 0.40 -0.14 -0.03 0.00 0.69 0.00 0.00 54.13 55.05 1jae s LEU 411 Cb -0.22 -2.32 0.11 0.00 -0.43 0.00 0.00 46.19 43.33 1jae s LEU 411 CO 0.26 -0.28 0.14 0.20 -0.29 0.00 0.00 176.35 176.39 1jae s ASN 412 N 1.72 3.46 0.04 3.68 -0.87 -1.24 -0.00 114.94 121.72 1jae s ASN 412 Ca 0.11 -1.40 -0.16 0.00 -1.57 0.00 0.00 52.86 49.84 1jae s ASN 412 Cb -0.16 -0.35 0.03 0.00 -0.02 0.00 0.00 41.25 40.74 1jae s ASN 412 CO 0.11 -0.42 0.36 -1.10 -2.57 0.00 0.00 177.10 173.48 1jae s GLN 413 N 1.97 0.85 -0.34 -0.60 -1.52 -0.24 -5.00 119.66 114.79 1jae s GLN 413 Ca 0.10 -0.39 -0.14 0.00 -1.95 0.00 0.00 55.36 52.98 1jae s GLN 413 Cb -0.17 0.37 -0.02 0.00 -0.22 0.00 0.00 33.01 32.98 1jae s GLN 413 CO -0.32 -0.28 0.28 1.21 -0.25 0.00 0.00 175.29 175.93 1jae s ASN 414 N -1.94 6.10 0.18 5.90 3.84 -1.26 0.17 114.94 127.94 1jae s ASN 414 Ca -0.06 -0.34 0.11 0.00 0.21 0.00 0.00 52.86 52.78 1jae s ASN 414 Cb -0.01 -2.16 -0.04 0.00 -0.55 0.00 0.00 41.25 38.48 1jae s ASN 414 CO -0.02 -0.27 -0.25 -0.76 -2.79 0.00 0.00 177.10 173.02 1jae s LEU 415 N 1.83 2.41 -0.57 3.21 1.43 0.51 -4.85 118.68 122.65 1jae s LEU 415 Ca 0.08 -0.84 -0.26 0.00 -1.03 0.00 0.00 54.13 52.07 1jae s LEU 415 Cb -0.17 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 44.91 1jae s LEU 415 CO 0.11 0.13 1.08 0.21 0.23 0.00 0.00 176.35 178.11 1jae s ASN 416 N -2.54 6.40 0.16 2.29 3.04 -1.26 -0.81 114.94 122.21 1jae s ASN 416 Ca 0.19 -0.09 0.27 0.00 0.04 0.00 0.00 52.86 53.26 1jae s ASN 416 Cb -0.08 -2.50 0.92 0.00 -1.54 0.00 0.00 41.25 38.04 1jae s ASN 416 CO 0.09 -1.36 1.81 0.35 -3.04 0.00 0.00 177.10 174.95 1jae n THR 417 N 6.46 0.47 -0.93 -5.21 -2.24 0.48 -4.87 114.28 108.44 1jae n THR 417 Ca 0.05 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1jae n THR 417 Cb 0.48 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1jae n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jae n GLY 418 N 1.29 0.25 3.94 3.38 0.00 -1.22 -4.71 105.19 108.12 1jae n GLY 418 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1jae n GLY 418 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jae s LEU 419 N 0.00 4.10 0.69 0.99 1.43 -1.26 -4.31 118.68 120.33 1jae s LEU 419 Ca 0.00 0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.39 1jae s LEU 419 Cb 0.00 -3.27 0.02 0.00 0.03 0.00 0.00 46.19 42.97 1jae s LEU 419 CO 0.00 -0.20 1.16 -2.84 0.23 0.00 0.00 176.35 174.70 1jae s PRO 420 N -3.92 2.49 0.40 1.29 0.02 -1.26 -4.12 135.00 129.90 1jae s PRO 420 Ca 0.40 1.59 -0.27 0.00 0.02 0.00 0.00 61.00 62.73 1jae s PRO 420 Cb -0.10 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 1jae s PRO 420 CO 0.33 -1.53 1.46 0.00 -0.33 0.00 0.00 177.00 176.93 1jae s ALA 421 N -2.14 3.47 0.00 -1.55 0.00 -1.25 -4.79 121.76 115.49 1jae s ALA 421 Ca 0.71 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1jae s ALA 421 Cb -0.25 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1jae s ALA 421 CO 0.43 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1jae n GLY 422 N 0.50 0.07 3.52 0.00 0.00 -0.30 -4.95 105.19 104.03 1jae n GLY 422 Ca 0.02 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1jae n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jae s THR 423 N -1.84 4.43 -0.05 2.61 2.01 -1.26 -0.22 115.64 121.33 1jae s THR 423 Ca 0.00 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1jae s THR 423 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1jae s THR 423 CO 0.00 0.40 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.87 1jae s TYR 424 N 1.03 2.68 -0.17 4.92 1.51 0.27 -0.07 117.35 127.53 1jae s TYR 424 Ca 0.04 -0.17 -0.22 0.00 -1.01 0.00 0.00 57.07 55.70 1jae s TYR 424 Cb -0.14 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1jae s TYR 424 CO 0.03 0.18 0.68 0.00 -1.11 0.00 0.00 175.55 175.33 1jae s ASP 426 N 1.11 6.62 0.00 0.00 2.15 0.11 -4.65 116.67 122.01 1jae s ASP 426 Ca 0.32 2.41 0.28 0.00 0.43 0.00 0.00 52.55 55.99 1jae s ASP 426 Cb -0.16 -2.55 1.40 0.00 -0.30 0.00 0.00 42.92 41.30 1jae s ASP 426 CO 0.12 -0.90 1.93 1.33 -0.17 0.00 0.00 175.17 177.48 1jae n VAL 427 N 5.00 0.02 -0.10 1.11 0.24 -0.08 -2.28 118.33 122.24 1jae n VAL 427 Ca 0.16 -0.12 -0.20 0.00 -2.04 0.00 0.00 64.34 62.14 1jae n VAL 427 Cb 0.41 -0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 32.64 1jae n VAL 427 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1jae n ILE 428 N -0.43 1.52 0.66 1.34 2.08 -1.26 -4.33 119.36 118.94 1jae n ILE 428 Ca 0.20 -0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.64 1jae n ILE 428 Cb 0.21 -2.08 0.38 0.00 -0.75 0.00 0.00 39.64 37.40 1jae n ILE 428 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1jae n SER 429 N -4.45 0.71 0.00 4.38 3.41 -1.25 -4.39 113.62 112.04 1jae n SER 429 Ca -0.30 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1jae n SER 429 Cb 0.63 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1jae n SER 429 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jae n GLY 430 N 1.34 2.09 3.69 5.00 0.00 -0.97 -4.28 105.19 112.07 1jae n GLY 430 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1jae n GLY 430 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jae s GLU 431 N 3.23 1.10 -0.27 1.61 -1.05 -1.25 -4.11 118.70 117.97 1jae s GLU 431 Ca 0.00 -0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 53.96 1jae s GLU 431 Cb 0.00 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 1jae s GLU 431 CO 0.00 -0.50 1.05 -1.17 0.95 0.00 0.00 175.26 175.59 1jae s LEU 432 N -2.84 4.03 -0.03 1.83 2.96 -1.26 -0.73 118.68 122.64 1jae s LEU 432 Ca 0.11 1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 55.25 1jae s LEU 432 Cb -0.01 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.17 1jae s LEU 432 CO -0.01 -0.75 0.04 -0.55 -1.32 0.00 0.00 176.35 173.76 1jae s SER 433 N 1.38 0.40 -1.46 3.68 0.15 0.14 -4.88 113.70 113.12 1jae s SER 433 Ca 0.44 0.05 -0.09 0.00 0.70 0.00 0.00 55.95 57.05 1jae s SER 433 Cb -0.14 -0.09 0.05 0.00 -1.71 0.00 0.00 66.02 64.12 1jae s SER 433 CO 0.10 -0.17 0.78 0.61 1.20 0.00 0.00 173.24 175.76 1jae n GLY 434 N 4.53 -0.51 2.08 9.45 0.00 -1.26 -1.59 105.19 117.89 1jae n GLY 434 Ca -0.20 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1jae n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jae n GLY 435 N -1.56 0.53 3.34 -0.02 0.00 -1.26 -5.02 105.19 101.19 1jae n GLY 435 Ca -0.03 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1jae n GLY 435 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jae s SER 436 N -2.67 0.04 -0.14 1.61 1.04 -0.62 -5.01 113.70 107.96 1jae s SER 436 Ca 0.00 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.38 1jae s SER 436 Cb 0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1jae s SER 436 CO 0.00 -0.90 0.40 0.00 0.98 0.00 0.00 173.24 173.72 1jae h THR 438 N 4.70 0.00 -0.12 0.00 1.35 -1.25 -3.47 112.91 114.12 1jae h THR 438 Ca -0.41 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1jae h THR 438 Cb 1.17 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1jae h THR 438 CO 0.76 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1jae n GLY 439 N 1.16 5.28 3.77 5.82 0.00 -1.26 -4.85 105.19 115.12 1jae n GLY 439 Ca 0.04 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1jae n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jae s LYS 440 N 4.56 2.96 0.11 1.61 1.02 -1.26 -4.88 119.74 123.86 1jae s LYS 440 Ca 0.00 1.45 0.05 0.00 0.02 0.00 0.00 55.97 57.49 1jae s LYS 440 Cb 0.00 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1jae s LYS 440 CO 0.00 -1.14 -0.13 -1.54 -0.92 0.00 0.00 175.35 171.63 1jae s SER 441 N -2.36 1.82 -0.07 2.83 1.04 -1.26 -0.71 113.70 114.99 1jae s SER 441 Ca 0.69 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 56.33 1jae s SER 441 Cb -0.21 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1jae s SER 441 CO 0.37 -0.18 -0.13 -0.69 0.98 0.00 0.00 173.24 173.59 1jae s VAL 442 N -2.25 1.16 -0.30 5.02 1.01 0.81 -4.90 120.40 120.95 1jae s VAL 442 Ca 0.08 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 1jae s VAL 442 Cb -0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1jae s VAL 442 CO 0.02 0.36 0.26 -0.89 0.00 0.00 0.00 175.10 174.85 1jae s THR 443 N 0.64 5.26 -0.21 3.92 2.01 -1.26 -0.56 115.64 125.44 1jae s THR 443 Ca -0.14 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 1jae s THR 443 Cb -0.16 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1jae s THR 443 CO 0.04 0.13 0.17 -0.69 -0.69 0.00 0.00 174.62 173.58 1jae s VAL 444 N 1.84 5.37 0.97 3.82 1.01 0.70 -4.38 120.40 129.72 1jae s VAL 444 Ca 0.09 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 1jae s VAL 444 Cb -0.16 -3.51 0.21 0.00 0.00 0.00 0.00 36.38 32.92 1jae s VAL 444 CO 0.11 0.40 1.32 -0.83 0.00 0.00 0.00 175.10 176.10 1jae s GLY 445 N 0.61 1.81 0.34 4.51 0.00 -0.28 -1.14 107.32 113.16 1jae s GLY 445 Ca 0.09 -1.31 0.06 0.00 0.00 0.00 0.00 44.72 43.56 1jae s GLY 445 CO 0.01 -0.52 1.90 -0.55 0.00 0.00 0.00 173.10 173.94 1jae h ASP 446 N -1.66 0.73 -0.26 1.64 3.32 -1.94 -0.89 116.42 117.36 1jae h ASP 446 Ca -0.44 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1jae h ASP 446 Cb 1.22 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1jae h ASP 446 CO 0.34 0.41 0.02 -0.46 -1.72 0.00 0.00 179.24 177.83 1jae n ASN 447 N -4.53 3.07 0.00 6.45 2.04 -1.26 -4.73 115.26 116.29 1jae n ASN 447 Ca 0.15 -2.42 0.00 0.00 -0.44 0.00 0.00 54.58 51.87 1jae n ASN 447 Cb 0.35 -0.59 0.00 0.00 -2.53 0.00 0.00 39.78 37.02 1jae n ASN 447 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jae n GLY 448 N 0.24 0.95 3.83 4.83 0.00 -0.34 -4.85 105.19 109.86 1jae n GLY 448 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1jae n GLY 448 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jae s SER 449 N -2.72 6.72 0.02 1.61 1.04 -1.26 -0.38 113.70 118.73 1jae s SER 449 Ca 0.00 1.64 -0.21 0.00 0.48 0.00 0.00 55.95 57.86 1jae s SER 449 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.64 1jae s SER 449 CO 0.00 -0.52 0.47 0.00 0.98 0.00 0.00 173.24 174.17 1jae s ALA 450 N -2.41 -1.19 -0.53 5.32 0.00 0.01 -1.13 121.76 121.82 1jae s ALA 450 Ca 0.61 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.91 1jae s ALA 450 Cb -0.10 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1jae s ALA 450 CO 0.23 -0.42 0.85 -0.51 0.00 0.00 0.00 175.76 175.91 1jae s ASP 451 N -1.74 6.31 -0.19 0.00 1.01 -1.26 -0.36 116.67 120.44 1jae s ASP 451 Ca -0.08 -0.49 -0.13 0.00 0.71 0.00 0.00 52.55 52.56 1jae s ASP 451 Cb -0.01 -2.39 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1jae s ASP 451 CO 0.01 -1.12 0.28 -0.63 0.21 0.00 0.00 175.17 173.93 1jae s ILE 452 N 3.56 5.30 -0.05 0.77 -1.09 0.13 -4.85 121.20 124.95 1jae s ILE 452 Ca 0.26 0.50 0.01 0.00 -2.23 0.00 0.00 60.65 59.19 1jae s ILE 452 Cb -0.14 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1jae s ILE 452 CO 0.17 0.35 -0.04 -0.94 -1.23 0.00 0.00 174.94 173.25 1jae s SER 453 N 0.73 1.12 -0.25 3.58 1.04 -1.24 -1.08 113.70 117.59 1jae s SER 453 Ca 0.15 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 1jae s SER 453 Cb -0.13 -0.47 0.12 0.00 0.10 0.00 0.00 66.02 65.64 1jae s SER 453 CO 0.05 -0.08 0.28 -0.22 0.98 0.00 0.00 173.24 174.25 1jae s LEU 454 N 1.11 -0.24 0.28 2.42 2.96 1.00 -4.98 118.68 121.23 1jae s LEU 454 Ca -0.08 -0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.12 1jae s LEU 454 Cb -0.14 0.54 -0.09 0.00 0.50 0.00 0.00 46.19 47.00 1jae s LEU 454 CO -0.01 -0.35 1.01 -0.83 -1.32 0.00 0.00 176.35 174.84 1jae s GLY 455 N 2.37 3.02 0.48 7.98 0.00 -1.26 -0.51 107.32 119.39 1jae s GLY 455 Ca 0.09 0.71 0.32 0.00 0.00 0.00 0.00 44.72 45.85 1jae s GLY 455 CO -0.23 1.26 1.98 1.48 0.00 0.00 0.00 173.10 177.59 1jae h SER 456 N 3.72 0.00 -0.49 1.64 4.64 -1.93 -2.12 113.55 119.00 1jae h SER 456 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1jae h SER 456 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1jae h SER 456 CO 0.67 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 1jae n ALA 457 N -1.93 2.42 -1.74 5.18 0.00 -1.26 -4.94 120.51 118.24 1jae n ALA 457 Ca -0.01 -0.94 -0.30 0.00 0.00 0.00 0.00 53.44 52.18 1jae n ALA 457 Cb 0.10 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 18.66 1jae n ALA 457 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jae s GLU 458 N -1.35 2.62 0.50 0.00 2.02 -0.80 -4.94 118.70 116.75 1jae s GLU 458 Ca 0.38 0.58 0.18 0.00 0.02 0.00 0.00 54.97 56.13 1jae s GLU 458 Cb 0.20 -1.98 1.25 0.00 0.10 0.00 0.00 34.13 33.70 1jae s GLU 458 CO 0.27 -1.23 2.06 -0.44 0.02 0.00 0.00 175.26 175.95 1jae h ASP 459 N -0.80 0.09 -3.87 -0.19 3.32 -1.92 -3.42 116.42 109.63 1jae h ASP 459 Ca -0.46 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.07 1jae h ASP 459 Cb 1.25 -0.02 -0.20 0.00 0.22 0.00 0.00 39.33 40.59 1jae h ASP 459 CO 0.62 0.06 -0.80 -1.81 -1.72 0.00 0.00 179.24 175.58 1jae s ASP 460 N -6.60 2.56 -0.29 6.45 1.01 -1.26 -4.74 116.67 113.78 1jae s ASP 460 Ca -0.06 -0.78 0.11 0.00 0.71 0.00 0.00 52.55 52.53 1jae s ASP 460 Cb 0.18 -0.14 0.63 0.00 1.01 0.00 0.00 42.92 44.61 1jae s ASP 460 CO 0.71 -0.00 1.64 0.61 0.21 0.00 0.00 175.17 178.34 1jae n GLY 461 N 0.67 4.12 3.01 0.21 0.00 -1.26 -4.93 105.19 107.01 1jae n GLY 461 Ca -0.16 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 1jae n GLY 461 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jae s VAL 462 N -3.04 0.07 -0.02 1.61 0.11 -1.26 -1.80 120.40 116.07 1jae s VAL 462 Ca 0.50 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1jae s VAL 462 Cb 0.41 -0.28 -0.00 0.00 -1.53 0.00 0.00 36.38 34.98 1jae s VAL 462 CO 0.09 -0.32 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.20 1jae s LEU 463 N -1.03 1.92 -0.07 2.54 0.20 -0.07 -4.82 118.68 117.35 1jae s LEU 463 Ca -0.11 -0.23 -0.03 0.00 0.69 0.00 0.00 54.13 54.44 1jae s LEU 463 Cb -0.07 -0.67 0.04 0.00 -0.43 0.00 0.00 46.19 45.06 1jae s LEU 463 CO 0.00 0.12 0.16 0.00 -0.29 0.00 0.00 176.35 176.34 1jae s ALA 464 N -0.06 -0.30 0.04 5.97 0.00 -1.26 -1.14 121.76 125.01 1jae s ALA 464 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1jae s ALA 464 Cb -0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1jae s ALA 464 CO 0.00 -0.15 -0.10 0.96 0.00 0.00 0.00 175.76 176.47 1jae s ILE 465 N 1.10 0.75 0.16 0.00 -4.36 -0.03 -0.90 121.20 117.93 1jae s ILE 465 Ca -0.08 -0.93 -0.10 0.00 -0.26 0.00 0.00 60.65 59.28 1jae s ILE 465 Cb -0.11 -0.73 -0.00 0.00 1.25 0.00 0.00 42.46 42.87 1jae s ILE 465 CO -0.06 -0.16 0.31 -1.38 0.24 0.00 0.00 174.94 173.90 1jae s HIS 466 N -0.98 0.30 -0.98 1.37 -3.43 -1.26 -0.50 115.29 109.80 1jae s HIS 466 Ca -0.03 -0.66 0.07 0.00 -0.80 0.00 0.00 55.06 53.64 1jae s HIS 466 Cb -0.08 0.01 0.31 0.00 -1.43 0.00 0.00 32.58 31.40 1jae s HIS 466 CO 0.01 -0.74 1.23 1.33 -2.00 0.00 0.00 174.74 174.57 1jae n VAL 467 N -0.22 1.51 0.66 -5.38 0.24 -0.41 -1.78 118.33 112.95 1jae n VAL 467 Ca -0.08 0.38 0.12 0.00 -2.04 0.00 0.00 64.34 62.72 1jae n VAL 467 Cb 0.63 -1.27 0.25 0.00 -1.47 0.00 0.00 33.84 31.98 1jae n VAL 467 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1jae n ASN 468 N -1.52 2.88 -2.86 -1.34 5.03 -1.26 -4.14 115.26 112.06 1jae n ASN 468 Ca 0.02 -1.91 -0.15 0.00 0.87 0.00 0.00 54.58 53.40 1jae n ASN 468 Cb 0.08 -0.18 -0.00 0.00 -1.02 0.00 0.00 39.78 38.66 1jae n ASN 468 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jae n ALA 469 N 1.13 3.16 -2.66 5.41 0.00 -0.73 -5.01 120.51 121.81 1jae n ALA 469 Ca 0.18 -3.47 -0.33 0.00 0.00 0.00 0.00 53.44 49.82 1jae n ALA 469 Cb 0.53 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.96 1jae n ALA 469 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jae s LYS 470 N -2.93 2.77 0.00 0.00 2.20 -1.25 -1.27 119.74 119.26 1jae s LYS 470 Ca 0.36 -0.69 0.19 0.00 -0.36 0.00 0.00 55.97 55.47 1jae s LYS 470 Cb 0.40 -2.46 1.13 0.00 -1.51 0.00 0.00 37.83 35.39 1jae s LYS 470 CO -0.04 0.50 1.52 1.28 -0.36 0.00 0.00 175.35 178.26