#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8h s GLU 3 N 0.00 3.73 0.05 1.97 8.01 -1.26 -5.05 118.70 126.16 1j8h s GLU 3 Ca 0.00 0.53 0.00 0.00 0.01 0.00 0.00 54.97 55.51 1j8h s GLU 3 Cb 0.00 -2.30 0.00 0.00 -4.31 0.00 0.00 34.13 27.52 1j8h s GLU 3 CO 0.00 -0.18 0.00 -1.91 0.01 0.00 0.00 175.26 173.18 1j8h n GLU 4 N -1.74 0.00 -3.98 1.61 2.13 -1.26 -5.13 120.64 112.28 1j8h n GLU 4 Ca 0.03 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.77 1j8h n GLU 4 Cb 0.54 -0.33 -0.09 0.00 0.27 0.00 0.00 31.44 31.83 1j8h n GLU 4 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1j8h s HIS 5 N -2.00 0.31 -0.07 4.31 3.76 -1.26 -5.07 115.29 115.27 1j8h s HIS 5 Ca 0.00 -0.72 -0.03 0.00 -0.15 0.00 0.00 55.06 54.16 1j8h s HIS 5 Cb 0.00 -0.22 0.04 0.00 1.11 0.00 0.00 32.58 33.51 1j8h s HIS 5 CO 0.00 -0.39 0.16 0.08 -0.85 0.00 0.00 174.74 173.74 1j8h s VAL 6 N -3.23 -0.05 -0.12 -0.90 1.01 -1.26 -5.02 120.40 110.83 1j8h s VAL 6 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1j8h s VAL 6 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1j8h s VAL 6 CO -0.07 0.07 -0.17 -0.63 0.00 0.00 0.00 175.10 174.30 1j8h s ILE 7 N 1.13 2.70 -0.05 2.22 1.01 -1.26 -1.30 121.20 125.65 1j8h s ILE 7 Ca -0.09 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1j8h s ILE 7 Cb -0.11 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1j8h s ILE 7 CO -0.06 0.53 -0.13 -0.63 0.00 0.00 0.00 174.94 174.66 1j8h s ILE 8 N 0.42 1.13 -0.43 2.92 1.01 0.17 -4.94 121.20 121.48 1j8h s ILE 8 Ca -0.12 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1j8h s ILE 8 Cb -0.16 -1.02 0.07 0.00 0.01 0.00 0.00 42.46 41.36 1j8h s ILE 8 CO 0.06 0.35 0.30 -1.58 0.00 0.00 0.00 174.94 174.06 1j8h s GLN 9 N 0.47 2.74 -0.06 2.79 0.74 -1.26 0.11 119.66 125.19 1j8h s GLN 9 Ca -0.11 -1.39 0.01 0.00 0.05 0.00 0.00 55.36 53.92 1j8h s GLN 9 Cb -0.14 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.06 1j8h s GLN 9 CO 0.03 -0.95 -0.06 0.00 -0.55 0.00 0.00 175.29 173.76 1j8h s ALA 10 N 1.50 3.03 0.05 1.58 0.00 0.60 -4.96 121.76 123.56 1j8h s ALA 10 Ca 0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1j8h s ALA 10 Cb -0.23 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 1j8h s ALA 10 CO 0.04 0.58 0.13 -1.83 0.00 0.00 0.00 175.76 174.67 1j8h s GLU 11 N -0.88 0.69 0.10 0.00 -1.05 -1.26 -1.34 118.70 114.96 1j8h s GLU 11 Ca 0.13 -0.85 -0.21 0.00 -0.15 0.00 0.00 54.97 53.89 1j8h s GLU 11 Cb -0.11 0.27 0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1j8h s GLU 11 CO 0.02 -0.19 0.52 -0.59 0.95 0.00 0.00 175.26 175.97 1j8h s PHE 12 N -3.13 -0.41 -0.02 4.83 -0.12 -0.83 -4.96 117.98 113.33 1j8h s PHE 12 Ca -0.01 0.30 -0.01 0.00 -0.05 0.00 0.00 56.93 57.16 1j8h s PHE 12 Cb 0.02 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.81 1j8h s PHE 12 CO -0.07 -0.72 0.04 -0.47 -0.05 0.00 0.00 175.22 173.95 1j8h s TYR 13 N -3.17 -0.04 -0.06 3.49 5.04 -1.26 -1.18 117.35 120.17 1j8h s TYR 13 Ca -0.01 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.77 1j8h s TYR 13 Cb -0.00 -0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.28 1j8h s TYR 13 CO -0.08 -0.04 -0.11 -1.17 -1.34 0.00 0.00 175.55 172.81 1j8h s LEU 14 N 0.31 1.60 0.07 6.97 2.96 -0.08 -4.98 118.68 125.52 1j8h s LEU 14 Ca -0.02 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1j8h s LEU 14 Cb -0.04 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 1j8h s LEU 14 CO -0.01 0.02 -0.03 0.20 -1.32 0.00 0.00 176.35 175.21 1j8h s ASN 15 N 0.68 4.82 0.00 3.68 0.01 -1.26 -0.13 114.94 122.74 1j8h s ASN 15 Ca -0.14 -0.20 0.29 0.00 -0.71 0.00 0.00 52.86 52.11 1j8h s ASN 15 Cb -0.15 -1.11 1.34 0.00 0.41 0.00 0.00 41.25 41.73 1j8h s ASN 15 CO 0.03 0.21 1.97 -2.65 -1.51 0.00 0.00 177.10 175.14 1j8h n PRO 16 N 0.85 0.16 0.27 -0.60 -0.02 -1.26 -4.89 135.00 129.52 1j8h n PRO 16 Ca -0.13 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.54 1j8h n PRO 16 Cb 0.52 -1.50 0.93 0.00 -0.02 0.00 0.00 33.50 33.44 1j8h n PRO 16 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1j8h h ASP 17 N 0.00 0.00 -5.95 2.55 5.19 -2.01 -3.46 116.42 112.75 1j8h h ASP 17 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 1j8h h ASP 17 Cb 0.42 0.00 0.10 0.00 0.18 0.00 0.00 39.33 40.02 1j8h h ASP 17 CO 0.00 0.00 -0.84 0.00 -3.12 0.00 0.00 179.24 175.28 1j8h n GLN 18 N -3.46 -4.21 -4.94 3.56 6.02 0.82 -4.99 117.38 110.17 1j8h n GLN 18 Ca -0.01 0.67 -0.28 0.00 -0.01 0.00 0.00 57.00 57.37 1j8h n GLN 18 Cb 0.25 -5.22 -0.16 0.00 1.02 0.00 0.00 30.24 26.12 1j8h n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1j8h s SER 19 N -4.09 2.45 0.16 1.08 1.04 -1.11 -4.96 113.70 108.27 1j8h s SER 19 Ca 0.14 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.21 1j8h s SER 19 Cb -0.03 -0.91 -0.04 0.00 0.10 0.00 0.00 66.02 65.13 1j8h s SER 19 CO 0.80 0.14 -0.13 -0.83 0.98 0.00 0.00 173.24 174.20 1j8h s GLY 20 N 0.24 1.21 -0.02 7.32 0.00 -1.26 -0.90 107.32 113.91 1j8h s GLY 20 Ca -0.11 -1.49 -0.05 0.00 0.00 0.00 0.00 44.72 43.07 1j8h s GLY 20 CO 0.05 -1.58 0.11 1.85 0.00 0.00 0.00 173.10 173.52 1j8h s GLU 21 N -3.37 0.27 -0.06 2.90 2.12 -0.33 -4.91 118.70 115.33 1j8h s GLU 21 Ca 0.16 -0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.36 1j8h s GLU 21 Cb -0.01 0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.53 1j8h s GLU 21 CO 0.04 -0.05 0.06 0.12 -0.54 0.00 0.00 175.26 174.88 1j8h s PHE 22 N -0.60 0.14 0.13 5.30 2.19 -1.26 -1.97 117.98 121.91 1j8h s PHE 22 Ca -0.07 0.15 -0.15 0.00 0.33 0.00 0.00 56.93 57.19 1j8h s PHE 22 Cb -0.04 -0.54 0.03 0.00 -1.31 0.00 0.00 43.02 41.16 1j8h s PHE 22 CO 0.00 -0.24 0.40 0.00 1.83 0.00 0.00 175.22 177.21 1j8h s MET 23 N 2.14 1.10 -0.06 10.12 0.23 -0.45 -1.13 119.30 131.26 1j8h s MET 23 Ca 0.05 -0.77 0.00 0.00 -1.03 0.00 0.00 55.69 53.94 1j8h s MET 23 Cb -0.12 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 1j8h s MET 23 CO -0.04 -0.43 -0.05 -0.06 -2.03 0.00 0.00 175.02 172.41 1j8h s PHE 24 N -3.82 2.99 -0.01 3.16 0.40 -0.37 -0.29 117.98 120.02 1j8h s PHE 24 Ca 0.05 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 1j8h s PHE 24 Cb 0.02 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 1j8h s PHE 24 CO -0.10 0.37 -0.13 0.34 0.70 0.00 0.00 175.22 176.40 1j8h s ASP 25 N -0.91 1.55 -0.19 1.36 -1.08 0.30 -0.99 116.67 116.70 1j8h s ASP 25 Ca 0.13 -0.24 0.01 0.00 -0.52 0.00 0.00 52.55 51.93 1j8h s ASP 25 Cb -0.11 -0.21 0.04 0.00 -1.46 0.00 0.00 42.92 41.18 1j8h s ASP 25 CO 0.02 0.15 -0.11 0.12 0.52 0.00 0.00 175.17 175.88 1j8h s PHE 26 N -0.25 2.38 -1.70 -5.34 5.36 0.59 0.46 117.98 119.48 1j8h s PHE 26 Ca 0.04 -1.55 -0.15 0.00 -0.96 0.00 0.00 56.93 54.31 1j8h s PHE 26 Cb -0.06 -1.63 0.14 0.00 -0.34 0.00 0.00 43.02 41.13 1j8h s PHE 26 CO -0.00 -0.73 0.58 -0.25 -1.46 0.00 0.00 175.22 173.35 1j8h n ASP 27 N 4.70 -1.92 0.00 6.13 8.00 -0.42 -0.91 116.55 132.12 1j8h n ASP 27 Ca -0.15 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1j8h n ASP 27 Cb 0.47 -2.29 0.00 0.00 -0.02 0.00 0.00 41.12 39.28 1j8h n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j8h n GLY 28 N -1.53 2.80 3.83 0.44 0.00 -1.26 -5.05 105.19 104.42 1j8h n GLY 28 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1j8h n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j8h s ASP 29 N -1.33 5.85 -0.03 1.61 1.01 -0.09 -5.05 116.67 118.63 1j8h s ASP 29 Ca 0.00 0.09 -0.29 0.00 0.71 0.00 0.00 52.55 53.07 1j8h s ASP 29 Cb 0.00 -1.66 -0.03 0.00 1.01 0.00 0.00 42.92 42.24 1j8h s ASP 29 CO 0.00 0.17 0.93 -0.70 0.21 0.00 0.00 175.17 175.78 1j8h s GLU 30 N -2.46 4.52 -0.17 8.23 2.12 -1.26 -0.30 118.70 129.37 1j8h s GLU 30 Ca 0.31 1.32 -0.21 0.00 0.36 0.00 0.00 54.97 56.76 1j8h s GLU 30 Cb -0.12 -3.47 -0.22 0.00 0.26 0.00 0.00 34.13 30.57 1j8h s GLU 30 CO 0.24 -0.07 0.39 0.82 -0.54 0.00 0.00 175.26 176.10 1j8h h ILE 31 N 4.84 1.06 -2.23 -3.70 2.04 -1.42 -3.41 117.51 114.68 1j8h h ILE 31 Ca -0.39 -2.26 0.20 0.00 1.00 0.00 0.00 64.86 63.40 1j8h h ILE 31 Cb 1.21 2.53 -0.08 0.00 -0.74 0.00 0.00 36.82 39.74 1j8h h ILE 31 CO 0.77 0.48 0.53 0.72 0.00 0.00 0.00 178.15 180.65 1j8h s PHE 32 N -2.38 -0.11 0.14 1.37 -0.12 -1.23 -1.49 117.98 114.16 1j8h s PHE 32 Ca -0.25 -0.17 -0.09 0.00 -0.05 0.00 0.00 56.93 56.37 1j8h s PHE 32 Cb 0.04 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 43.06 1j8h s PHE 32 CO 0.66 -0.77 0.26 -3.38 -0.05 0.00 0.00 175.22 171.94 1j8h s HIS 33 N -3.15 0.34 -0.15 3.49 -3.43 -1.06 -1.24 115.29 110.08 1j8h s HIS 33 Ca 0.13 -0.72 -0.05 0.00 -0.80 0.00 0.00 55.06 53.63 1j8h s HIS 33 Cb -0.01 -0.06 -0.03 0.00 -1.43 0.00 0.00 32.58 31.05 1j8h s HIS 33 CO 0.02 -0.67 0.00 0.08 -2.00 0.00 0.00 174.74 172.16 1j8h s VAL 34 N -3.94 4.25 -0.54 -5.38 1.01 -0.28 -1.05 120.40 114.48 1j8h s VAL 34 Ca 0.14 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1j8h s VAL 34 Cb 0.04 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1j8h s VAL 34 CO -0.03 0.50 1.09 -0.62 0.00 0.00 0.00 175.10 176.04 1j8h s ASP 35 N 0.16 6.46 0.28 3.32 -1.08 0.25 -4.57 116.67 121.49 1j8h s ASP 35 Ca 0.01 0.06 -0.02 0.00 -0.52 0.00 0.00 52.55 52.08 1j8h s ASP 35 Cb -0.13 -2.51 0.42 0.00 -1.46 0.00 0.00 42.92 39.24 1j8h s ASP 35 CO 0.02 -1.32 1.91 -0.03 0.52 0.00 0.00 175.17 176.26 1j8h h MET 36 N 9.37 1.13 0.78 4.34 4.05 -1.91 -0.16 114.93 132.53 1j8h h MET 36 Ca -0.25 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.07 1j8h h MET 36 Cb 1.06 -0.25 0.01 0.00 -0.80 0.00 0.00 31.60 31.62 1j8h h MET 36 CO 1.13 0.75 -0.37 0.00 0.23 0.00 0.00 176.91 178.65 1j8h h ALA 37 N 1.46 -1.05 0.00 0.39 0.00 -1.97 -3.10 119.26 115.00 1j8h h ALA 37 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j8h h ALA 37 Cb 0.09 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j8h h ALA 37 CO -0.14 -0.99 0.00 1.63 0.00 0.00 0.00 179.25 179.75 1j8h n LYS 38 N -5.48 0.75 -3.87 0.00 5.02 -1.22 -4.92 118.16 108.45 1j8h n LYS 38 Ca -0.13 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 55.88 1j8h n LYS 38 Cb 0.42 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1j8h n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j8h n LYS 39 N -1.09 -5.33 -4.12 1.97 5.02 -0.09 -4.99 118.16 109.52 1j8h n LYS 39 Ca 0.19 0.60 -0.09 0.00 -2.02 0.00 0.00 58.31 56.99 1j8h n LYS 39 Cb 0.14 -5.39 -0.10 0.00 -0.02 0.00 0.00 35.03 29.66 1j8h n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1j8h s GLU 40 N -6.47 0.73 -0.08 1.97 -1.05 -1.10 -4.61 118.70 108.10 1j8h s GLU 40 Ca 0.49 -1.29 -0.26 0.00 -0.15 0.00 0.00 54.97 53.75 1j8h s GLU 40 Cb -0.24 0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.51 1j8h s GLU 40 CO 0.83 -0.11 0.84 0.99 0.95 0.00 0.00 175.26 178.76 1j8h s THR 41 N -3.85 4.93 -0.35 1.83 2.01 -1.26 -0.58 115.64 118.37 1j8h s THR 41 Ca 0.11 1.71 -0.05 0.00 0.31 0.00 0.00 61.69 63.77 1j8h s THR 41 Cb 0.07 -4.16 0.06 0.00 0.01 0.00 0.00 72.50 68.47 1j8h s THR 41 CO -0.06 0.14 0.11 -0.69 -0.69 0.00 0.00 174.62 173.43 1j8h s VAL 42 N 1.36 3.56 0.30 3.82 1.01 -0.21 -4.95 120.40 125.29 1j8h s VAL 42 Ca 0.42 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1j8h s VAL 42 Cb -0.18 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1j8h s VAL 42 CO 0.19 -0.28 1.07 0.26 0.00 0.00 0.00 175.10 176.35 1j8h s TRP 43 N 1.33 3.55 0.31 5.22 0.52 -1.26 -2.58 118.94 126.03 1j8h s TRP 43 Ca -0.01 1.71 0.01 0.00 0.02 0.00 0.00 56.10 57.84 1j8h s TRP 43 Cb -0.20 -3.22 0.51 0.00 -1.15 0.00 0.00 33.47 29.40 1j8h s TRP 43 CO 0.01 -0.48 1.87 -0.09 0.02 0.00 0.00 176.95 178.28 1j8h h ARG 44 N 3.56 0.72 -4.52 4.98 9.65 -1.50 -3.40 114.38 123.87 1j8h h ARG 44 Ca -0.47 -0.13 -0.55 0.00 -1.10 0.00 0.00 59.98 57.73 1j8h h ARG 44 Cb 1.21 -0.12 -0.35 0.00 -1.39 0.00 0.00 29.97 29.32 1j8h h ARG 44 CO 0.66 0.64 -0.82 -0.51 2.80 0.00 0.00 179.97 182.75 1j8h s LEU 45 N -9.30 1.53 0.27 3.80 1.43 -1.26 -5.03 118.68 110.12 1j8h s LEU 45 Ca -0.09 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1j8h s LEU 45 Cb 0.16 -0.94 0.46 0.00 0.03 0.00 0.00 46.19 45.89 1j8h s LEU 45 CO 0.78 -0.03 1.57 -0.08 0.23 0.00 0.00 176.35 178.83 1j8h h GLU 46 N 7.59 0.00 -0.86 1.70 4.81 -1.99 0.80 114.58 126.64 1j8h h GLU 46 Ca -0.31 -0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.14 1j8h h GLU 46 Cb 1.16 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.40 1j8h h GLU 46 CO 0.46 0.00 0.22 1.05 -0.73 0.00 0.00 179.01 180.02 1j8h h GLU 47 N 0.00 0.22 -0.50 1.92 4.11 -1.96 -1.08 114.58 117.29 1j8h h GLU 47 Ca 0.46 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.98 1j8h h GLU 47 Cb 0.74 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.84 1j8h h GLU 47 CO -0.95 0.14 -0.16 0.74 0.07 0.00 0.00 179.01 178.86 1j8h h PHE 48 N 0.22 -0.36 0.00 2.06 0.04 -1.24 -0.06 116.94 117.60 1j8h h PHE 48 Ca 0.53 0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.35 1j8h h PHE 48 Cb 1.04 0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.43 1j8h h PHE 48 CO -0.27 -0.25 0.00 0.41 -0.60 0.00 0.00 178.31 177.60 1j8h n GLY 49 N -1.38 -0.23 0.07 -1.45 0.00 -0.41 -1.39 105.19 100.40 1j8h n GLY 49 Ca 0.05 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1j8h n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j8h n ARG 50 N -1.15 0.58 -0.00 1.61 1.74 -0.04 -4.37 116.66 115.03 1j8h n ARG 50 Ca 0.02 0.01 0.04 0.00 -0.77 0.00 0.00 57.85 57.15 1j8h n ARG 50 Cb 0.01 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 29.69 1j8h n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1j8h n PHE 51 N -2.46 0.00 -4.34 -1.55 3.72 -0.49 -5.06 117.46 107.28 1j8h n PHE 51 Ca -0.01 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.21 1j8h n PHE 51 Cb 0.54 -0.17 -0.10 0.00 -0.94 0.00 0.00 39.48 38.81 1j8h n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j8h s ALA 52 N -2.48 1.87 0.14 4.37 0.00 -0.91 -5.16 121.76 119.59 1j8h s ALA 52 Ca -0.02 -1.88 -0.12 0.00 0.00 0.00 0.00 51.96 49.94 1j8h s ALA 52 Cb 0.05 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1j8h s ALA 52 CO 0.33 -0.44 0.33 -1.54 0.00 0.00 0.00 175.76 174.44 1j8h s SER 53 N -3.35 -0.05 -0.12 0.00 1.04 -1.26 -4.59 113.70 105.36 1j8h s SER 53 Ca 0.37 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 56.09 1j8h s SER 53 Cb 0.08 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.68 1j8h s SER 53 CO 0.14 -0.87 0.31 0.12 0.98 0.00 0.00 173.24 173.92 1j8h s PHE 54 N -3.89 -0.38 -0.97 5.02 5.36 -1.26 -5.09 117.98 116.78 1j8h s PHE 54 Ca 0.09 0.89 -0.24 0.00 -0.96 0.00 0.00 56.93 56.71 1j8h s PHE 54 Cb 0.03 0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.82 1j8h s PHE 54 CO -0.06 -0.21 1.73 -2.00 -1.46 0.00 0.00 175.22 173.22 1j8h s GLU 55 N 0.63 3.02 0.32 10.12 2.56 -1.26 -4.79 118.70 129.30 1j8h s GLU 55 Ca -0.04 -0.70 0.11 0.00 0.00 0.00 0.00 54.97 54.34 1j8h s GLU 55 Cb -0.05 -5.20 0.93 0.00 2.00 0.00 0.00 34.13 31.81 1j8h s GLU 55 CO -0.04 -2.88 1.71 0.00 -0.56 0.00 0.00 175.26 173.49 1j8h h ALA 56 N 10.54 1.83 -0.74 6.30 0.00 -1.94 -0.60 119.26 134.65 1j8h h ALA 56 Ca 0.15 0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.37 1j8h h ALA 56 Cb 1.00 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1j8h h ALA 56 CO 1.31 -0.34 0.50 1.96 0.00 0.00 0.00 179.25 182.68 1j8h h GLN 57 N 0.52 0.29 -0.71 0.00 7.50 -1.89 -0.27 115.11 120.55 1j8h h GLN 57 Ca 0.67 -0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.85 1j8h h GLN 57 Cb 1.33 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 28.75 1j8h h GLN 57 CO -0.50 0.19 0.47 0.78 -1.50 0.00 0.00 178.83 178.27 1j8h h GLY 58 N 0.30 0.95 1.02 3.46 0.00 -1.51 -0.88 103.07 106.42 1j8h h GLY 58 Ca 0.37 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.43 1j8h h GLY 58 CO -0.10 0.25 0.53 0.00 0.00 0.00 0.00 176.54 177.22 1j8h h ALA 59 N 1.60 1.56 -0.37 3.60 0.00 -1.19 -0.95 119.26 123.51 1j8h h ALA 59 Ca 0.30 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1j8h h ALA 59 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1j8h h ALA 59 CO -0.09 0.34 -0.13 -0.07 0.00 0.00 0.00 179.25 179.30 1j8h h LEU 60 N 0.94 0.65 -0.49 0.00 3.38 -1.24 -0.73 115.31 117.83 1j8h h LEU 60 Ca 0.34 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1j8h h LEU 60 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1j8h h LEU 60 CO -0.11 0.80 0.05 0.00 0.09 0.00 0.00 178.44 179.27 1j8h h ALA 61 N 1.26 0.65 -0.45 1.53 0.00 -0.98 -0.76 119.26 120.50 1j8h h ALA 61 Ca 0.10 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1j8h h ALA 61 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1j8h h ALA 61 CO 0.04 0.40 -0.19 -0.91 0.00 0.00 0.00 179.25 178.59 1j8h h ASN 62 N 0.69 0.91 -0.64 0.00 4.21 -1.16 -2.90 115.58 116.69 1j8h h ASN 62 Ca 0.14 -0.33 -0.03 0.00 1.21 0.00 0.00 56.30 57.30 1j8h h ASN 62 Cb 0.44 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 1j8h h ASN 62 CO 0.01 1.08 0.28 0.40 -1.29 0.00 0.00 177.43 177.92 1j8h h ILE 63 N 0.78 1.23 -0.35 2.81 1.08 -0.94 -1.24 117.51 120.88 1j8h h ILE 63 Ca 0.11 -0.68 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1j8h h ILE 63 Cb 0.74 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 1j8h h ILE 63 CO 0.06 0.27 0.21 0.00 -0.69 0.00 0.00 178.15 178.01 1j8h h ALA 64 N 1.12 1.72 -0.04 1.87 0.00 -1.00 -0.93 119.26 122.00 1j8h h ALA 64 Ca 0.22 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1j8h h ALA 64 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j8h h ALA 64 CO -0.02 0.25 -0.75 0.28 0.00 0.00 0.00 179.25 179.01 1j8h h VAL 65 N 0.48 1.43 -0.15 0.00 2.07 -1.17 -2.83 116.25 116.08 1j8h h VAL 65 Ca 0.13 -2.29 -0.09 0.00 0.82 0.00 0.00 66.70 65.27 1j8h h VAL 65 Cb -0.03 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1j8h h VAL 65 CO -0.02 0.67 -0.30 0.44 0.02 0.00 0.00 177.57 178.38 1j8h h ASP 66 N 0.17 0.29 0.35 0.57 3.32 -0.07 0.18 116.42 121.22 1j8h h ASP 66 Ca -0.03 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1j8h h ASP 66 Cb 1.32 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1j8h h ASP 66 CO 0.12 0.58 -0.17 0.11 -1.72 0.00 0.00 179.24 178.17 1j8h h LYS 67 N 0.25 -0.45 -0.82 3.56 1.57 -1.11 0.26 116.57 119.84 1j8h h LYS 67 Ca 0.04 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1j8h h LYS 67 Cb 0.66 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 1j8h h LYS 67 CO 0.05 -0.20 0.54 0.00 -0.57 0.00 0.00 179.45 179.27 1j8h h ALA 68 N -0.03 1.57 -0.25 3.86 0.00 -1.27 -1.60 119.26 121.54 1j8h h ALA 68 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1j8h h ALA 68 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j8h h ALA 68 CO 0.08 0.31 -0.41 -0.91 0.00 0.00 0.00 179.25 178.32 1j8h h ASN 69 N 0.93 0.64 -0.08 0.00 2.35 -0.27 -1.94 115.58 117.21 1j8h h ASN 69 Ca 0.35 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1j8h h ASN 69 Cb 0.18 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1j8h h ASN 69 CO -0.12 0.97 0.04 0.25 -1.65 0.00 0.00 177.43 176.93 1j8h h LEU 70 N 0.49 0.10 -0.49 1.61 5.85 0.44 0.16 115.31 123.48 1j8h h LEU 70 Ca 0.04 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1j8h h LEU 70 Cb 0.92 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1j8h h LEU 70 CO 0.08 0.17 0.26 -0.08 -0.34 0.00 0.00 178.44 178.53 1j8h h GLU 71 N 0.03 0.49 -0.67 1.25 4.81 -1.32 0.64 114.58 119.81 1j8h h GLU 71 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j8h h GLU 71 Cb 0.09 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1j8h h GLU 71 CO -0.00 0.33 0.43 0.82 -0.73 0.00 0.00 179.01 179.85 1j8h h ILE 72 N 0.51 1.18 -0.14 2.32 2.04 -0.98 -2.34 117.51 120.09 1j8h h ILE 72 Ca 0.21 -0.35 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 1j8h h ILE 72 Cb 0.10 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1j8h h ILE 72 CO -0.13 0.18 -0.73 0.24 0.00 0.00 0.00 178.15 177.71 1j8h h MET 73 N 0.91 0.65 -0.60 2.37 2.86 0.03 -2.02 114.93 119.11 1j8h h MET 73 Ca 0.24 -0.51 0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1j8h h MET 73 Cb -0.08 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 1j8h h MET 73 CO -0.05 1.13 0.27 1.15 1.06 0.00 0.00 176.91 180.46 1j8h h THR 74 N 0.45 0.84 -0.43 2.22 2.02 0.51 -1.19 112.91 117.33 1j8h h THR 74 Ca -0.04 -0.17 -0.15 0.00 0.77 0.00 0.00 66.41 66.83 1j8h h THR 74 Cb 1.33 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1j8h h THR 74 CO 0.14 0.09 -0.31 0.11 0.37 0.00 0.00 175.52 175.92 1j8h h LYS 75 N 0.48 0.97 -0.63 6.66 1.57 -1.39 -0.28 116.57 123.95 1j8h h LYS 75 Ca 0.29 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1j8h h LYS 75 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1j8h h LYS 75 CO -0.25 1.13 0.35 -0.09 -0.57 0.00 0.00 179.45 180.01 1j8h h ARG 76 N 0.81 0.87 -0.19 3.15 2.43 -0.70 -1.53 114.38 119.22 1j8h h ARG 76 Ca 0.08 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1j8h h ARG 76 Cb 0.90 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1j8h h ARG 76 CO 0.08 0.64 0.00 -1.13 -1.51 0.00 0.00 179.97 178.05 1j8h n SER 77 N -4.38 1.09 -3.52 -3.80 3.41 -0.51 -4.90 113.62 101.01 1j8h n SER 77 Ca 0.06 -1.92 -0.19 0.00 -0.26 0.00 0.00 58.87 56.55 1j8h n SER 77 Cb 0.10 -0.13 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1j8h n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1j8h n ASN 78 N 0.07 -2.85 -3.86 4.04 3.02 -0.57 -3.04 115.26 112.06 1j8h n ASN 78 Ca 0.09 -0.64 -0.27 0.00 -0.03 0.00 0.00 54.58 53.73 1j8h n ASN 78 Cb 0.18 -4.91 0.02 0.00 -0.61 0.00 0.00 39.78 34.47 1j8h n ASN 78 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1j8h n TYR 79 N -4.34 -2.05 -2.76 3.10 4.02 -0.13 -4.93 117.16 110.08 1j8h n TYR 79 Ca -0.22 0.86 -0.43 0.00 -0.01 0.00 0.00 57.90 58.10 1j8h n TYR 79 Cb 0.64 -4.05 -0.03 0.00 -0.02 0.00 0.00 39.34 35.88 1j8h n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1j8h s THR 80 N -3.52 4.50 0.85 -0.72 2.01 -1.17 -5.02 115.64 112.57 1j8h s THR 80 Ca 0.34 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.41 1j8h s THR 80 Cb -0.17 -4.40 0.10 0.00 0.01 0.00 0.00 72.50 68.04 1j8h s THR 80 CO 0.84 -0.65 1.09 -2.84 -0.69 0.00 0.00 174.62 172.37 1j8h s PRO 81 N 3.69 1.60 0.49 4.92 0.02 -1.26 -5.03 135.00 139.44 1j8h s PRO 81 Ca 0.40 0.94 -0.18 0.00 0.02 0.00 0.00 61.00 62.18 1j8h s PRO 81 Cb -0.11 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.49 1j8h s PRO 81 CO 0.22 -2.03 0.99 -1.50 -0.33 0.00 0.00 177.00 174.34 1j8h s ILE 82 N -2.93 4.30 -0.25 2.83 2.07 -1.26 -5.02 121.20 120.94 1j8h s ILE 82 Ca 0.63 1.24 -0.13 0.00 -1.41 0.00 0.00 60.65 60.98 1j8h s ILE 82 Cb -0.18 -3.60 -0.04 0.00 0.13 0.00 0.00 42.46 38.77 1j8h s ILE 82 CO 0.57 -0.49 0.30 -0.89 -1.91 0.00 0.00 174.94 172.52 1j8h s THR 83 N -2.38 5.24 0.25 4.00 2.01 -1.26 -5.04 115.64 118.46 1j8h s THR 83 Ca 0.62 0.45 -0.31 0.00 0.31 0.00 0.00 61.69 62.76 1j8h s THR 83 Cb -0.11 -3.63 -0.11 0.00 0.01 0.00 0.00 72.50 68.65 1j8h s THR 83 CO 0.25 0.23 1.58 0.20 -0.69 0.00 0.00 174.62 176.19 1j8h s ASN 84 N 1.41 6.46 -0.21 3.53 0.01 -1.26 -4.73 114.94 120.15 1j8h s ASN 84 Ca 0.13 2.83 0.01 0.00 -0.71 0.00 0.00 52.86 55.12 1j8h s ASN 84 Cb -0.15 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 38.93 1j8h s ASN 84 CO 0.09 -0.87 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.01 1j8h s VAL 85 N 0.36 1.75 0.71 1.60 1.01 -0.13 -4.90 120.40 120.81 1j8h s VAL 85 Ca 0.65 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1j8h s VAL 85 Cb -0.46 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1j8h s VAL 85 CO 0.42 0.16 1.19 -2.84 0.00 0.00 0.00 175.10 174.03 1j8h s PRO 86 N 1.34 2.31 0.65 2.72 0.02 -1.26 -2.31 135.00 138.47 1j8h s PRO 86 Ca -0.02 1.69 -0.10 0.00 0.02 0.00 0.00 61.00 62.59 1j8h s PRO 86 Cb -0.17 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 1j8h s PRO 86 CO -0.08 -1.69 1.03 -2.14 -0.33 0.00 0.00 177.00 173.79 1j8h s PRO 87 N -3.92 3.11 -0.16 5.54 0.02 -1.26 -4.45 135.00 133.88 1j8h s PRO 87 Ca 0.73 0.45 -0.01 0.00 0.02 0.00 0.00 61.00 62.18 1j8h s PRO 87 Cb -0.27 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.14 1j8h s PRO 87 CO 0.44 -0.81 -0.10 -2.00 -0.33 0.00 0.00 177.00 174.20 1j8h s GLU 88 N -5.22 3.39 -0.01 5.54 2.12 -0.48 -4.94 118.70 119.09 1j8h s GLU 88 Ca 0.56 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 55.29 1j8h s GLU 88 Cb -0.11 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 1j8h s GLU 88 CO 0.51 0.08 -0.20 0.08 -0.54 0.00 0.00 175.26 175.19 1j8h s VAL 89 N 0.72 2.59 -0.00 3.70 1.01 -1.26 -1.24 120.40 125.92 1j8h s VAL 89 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1j8h s VAL 89 Cb -0.15 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1j8h s VAL 89 CO 0.02 0.52 0.00 -0.89 0.00 0.00 0.00 175.10 174.75 1j8h s THR 90 N -0.74 0.00 -0.07 3.92 2.01 -0.30 -4.97 115.64 115.49 1j8h s THR 90 Ca 0.12 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.18 1j8h s THR 90 Cb -0.10 -0.02 -0.00 0.00 0.01 0.00 0.00 72.50 72.38 1j8h s THR 90 CO 0.01 0.01 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.04 1j8h s VAL 91 N 0.11 1.89 0.25 3.82 1.01 -1.26 0.35 120.40 126.58 1j8h s VAL 91 Ca -0.01 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 1j8h s VAL 91 Cb -0.01 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1j8h s VAL 91 CO -0.00 0.53 0.58 -1.48 0.00 0.00 0.00 175.10 174.73 1j8h s LEU 92 N 0.10 0.04 0.38 3.92 2.34 -0.49 -4.99 118.68 119.99 1j8h s LEU 92 Ca -0.10 -0.73 0.07 0.00 0.06 0.00 0.00 54.13 53.43 1j8h s LEU 92 Cb -0.15 2.22 -0.01 0.00 -0.56 0.00 0.00 46.19 47.69 1j8h s LEU 92 CO 0.05 -1.21 0.48 0.42 -1.06 0.00 0.00 176.35 175.03 1j8h s THR 93 N -3.96 3.44 0.22 5.48 -4.23 -1.26 0.73 115.64 116.06 1j8h s THR 93 Ca 0.16 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1j8h s THR 93 Cb -0.03 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 1j8h s THR 93 CO 0.06 -0.08 1.58 -1.13 -0.54 0.00 0.00 174.62 174.52 1j8h h ASN 94 N 0.85 0.63 -5.17 3.99 -0.00 -1.19 -3.46 115.58 111.23 1j8h h ASN 94 Ca -0.43 -0.28 -0.07 0.00 -0.00 0.00 0.00 56.30 55.52 1j8h h ASN 94 Cb 1.27 -0.18 -0.04 0.00 -0.00 0.00 0.00 38.32 39.37 1j8h h ASN 94 CO 0.51 0.96 0.08 -0.94 -0.00 0.00 0.00 177.43 178.04 1j8h s SER 95 N -6.85 0.17 0.23 1.15 1.04 -1.26 -5.04 113.70 103.13 1j8h s SER 95 Ca -0.08 -1.10 -0.31 0.00 0.48 0.00 0.00 55.95 54.95 1j8h s SER 95 Cb 0.12 0.74 -0.15 0.00 0.10 0.00 0.00 66.02 66.84 1j8h s SER 95 CO 0.83 -1.44 1.15 -2.65 0.98 0.00 0.00 173.24 172.11 1j8h n PRO 96 N -0.50 1.41 -3.15 4.02 -0.02 -1.26 -4.92 135.00 130.58 1j8h n PRO 96 Ca -0.04 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.55 1j8h n PRO 96 Cb 0.60 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 1j8h n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j8h s VAL 97 N -0.51 4.95 -0.05 -1.45 1.01 -1.26 -5.06 120.40 118.02 1j8h s VAL 97 Ca 0.66 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.96 1j8h s VAL 97 Cb -0.75 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 31.68 1j8h s VAL 97 CO 0.55 0.36 -0.05 -1.61 0.00 0.00 0.00 175.10 174.35 1j8h s GLU 98 N 0.15 0.93 0.28 2.72 2.02 -1.26 -5.12 118.70 118.43 1j8h s GLU 98 Ca 0.33 -0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.91 1j8h s GLU 98 Cb -0.18 -0.96 -0.14 0.00 0.10 0.00 0.00 34.13 32.95 1j8h s GLU 98 CO 0.17 -0.11 1.05 1.28 0.02 0.00 0.00 175.26 177.68 1j8h n LEU 99 N 4.20 1.93 -0.73 1.80 4.77 -1.26 -1.70 117.00 126.01 1j8h n LEU 99 Ca -0.22 1.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.84 1j8h n LEU 99 Cb 0.51 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.26 1j8h n LEU 99 CO 0.22 -1.30 -0.09 0.54 -1.33 0.00 0.00 177.39 175.43 1j8h n ARG 100 N 0.85 -1.32 -4.47 3.23 1.74 -0.84 -4.96 116.66 110.88 1j8h n ARG 100 Ca 0.10 0.79 -0.33 0.00 -0.77 0.00 0.00 57.85 57.64 1j8h n ARG 100 Cb 0.32 -4.98 -0.15 0.00 -1.02 0.00 0.00 32.46 26.62 1j8h n ARG 100 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1j8h s GLU 101 N -2.63 3.17 0.14 5.56 0.41 -0.69 -4.93 118.70 119.73 1j8h s GLU 101 Ca 0.00 -0.77 -0.34 0.00 -0.41 0.00 0.00 54.97 53.45 1j8h s GLU 101 Cb 0.00 -2.61 -0.17 0.00 -1.78 0.00 0.00 34.13 29.57 1j8h s GLU 101 CO 0.00 -0.02 1.07 -2.30 -0.49 0.00 0.00 175.26 173.51 1j8h n PRO 102 N 4.16 0.76 -3.15 0.39 -0.02 -1.26 -4.26 135.00 131.63 1j8h n PRO 102 Ca -0.19 0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.46 1j8h n PRO 102 Cb 0.51 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 1j8h n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1j8h n ASN 103 N 1.94 -0.84 -3.75 2.55 2.85 -0.44 -4.99 115.26 112.57 1j8h n ASN 103 Ca 0.17 -2.24 -0.15 0.00 -0.11 0.00 0.00 54.58 52.25 1j8h n ASN 103 Cb 0.21 1.59 -0.15 0.00 1.24 0.00 0.00 39.78 42.67 1j8h n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1j8h s VAL 104 N -2.69 -0.06 -0.08 3.44 1.01 -1.26 -0.57 120.40 120.18 1j8h s VAL 104 Ca 0.19 0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 1j8h s VAL 104 Cb -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 1j8h s VAL 104 CO 0.14 0.09 0.48 -0.76 0.00 0.00 0.00 175.10 175.05 1j8h s LEU 105 N 1.19 4.33 -0.19 3.92 1.43 0.38 -0.54 118.68 129.20 1j8h s LEU 105 Ca -0.08 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 53.90 1j8h s LEU 105 Cb -0.12 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 1j8h s LEU 105 CO -0.04 0.07 -0.11 -0.63 0.23 0.00 0.00 176.35 175.87 1j8h s ILE 106 N 0.21 2.92 -0.32 -0.59 1.01 0.22 -0.72 121.20 123.92 1j8h s ILE 106 Ca 0.26 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1j8h s ILE 106 Cb -0.16 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1j8h s ILE 106 CO 0.12 0.48 0.14 0.00 0.00 0.00 0.00 174.94 175.68 1j8h s PHE 108 N 1.55 3.20 -0.24 0.00 5.36 0.16 -1.77 117.98 126.23 1j8h s PHE 108 Ca 0.03 -0.25 -0.06 0.00 -0.96 0.00 0.00 56.93 55.69 1j8h s PHE 108 Cb -0.18 -2.39 -0.02 0.00 -0.34 0.00 0.00 43.02 40.08 1j8h s PHE 108 CO 0.05 -0.33 0.04 0.42 -1.46 0.00 0.00 175.22 173.94 1j8h s ILE 109 N 1.69 4.11 0.22 3.12 1.09 -0.18 -1.15 121.20 130.10 1j8h s ILE 109 Ca 0.06 -0.24 0.04 0.00 -1.10 0.00 0.00 60.65 59.40 1j8h s ILE 109 Cb -0.17 -2.91 -0.05 0.00 -1.06 0.00 0.00 42.46 38.27 1j8h s ILE 109 CO 0.09 0.36 -0.01 -0.62 -0.10 0.00 0.00 174.94 174.66 1j8h s ASP 110 N 1.53 1.81 -1.29 3.58 2.15 -0.37 -0.28 116.67 123.79 1j8h s ASP 110 Ca 0.06 -1.19 -0.11 0.00 0.43 0.00 0.00 52.55 51.74 1j8h s ASP 110 Cb -0.15 0.01 -0.00 0.00 -0.30 0.00 0.00 42.92 42.48 1j8h s ASP 110 CO 0.02 -0.49 0.59 0.29 -0.17 0.00 0.00 175.17 175.40 1j8h n LYS 111 N -0.39 -2.31 -4.19 4.34 5.02 -0.54 -1.39 118.16 118.71 1j8h n LYS 111 Ca -0.06 0.41 -0.11 0.00 -2.02 0.00 0.00 58.31 56.53 1j8h n LYS 111 Cb 0.63 -4.24 -0.10 0.00 -0.02 0.00 0.00 35.03 31.30 1j8h n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1j8h s PHE 112 N -3.74 1.01 -0.14 2.13 -0.71 -1.09 -4.47 117.98 110.96 1j8h s PHE 112 Ca 0.22 -1.15 -0.30 0.00 -1.04 0.00 0.00 56.93 54.66 1j8h s PHE 112 Cb -0.08 -0.57 0.12 0.00 -1.21 0.00 0.00 43.02 41.27 1j8h s PHE 112 CO 0.88 -0.39 0.97 -0.08 -1.34 0.00 0.00 175.22 175.26 1j8h s THR 113 N -3.89 0.00 1.11 -4.49 -1.32 -0.98 -0.59 115.64 105.48 1j8h s THR 113 Ca 0.24 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.58 1j8h s THR 113 Cb 0.07 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.31 1j8h s THR 113 CO 0.03 0.00 1.07 -2.16 -2.21 0.00 0.00 174.62 171.35 1j8h s PRO 114 N -1.23 -0.48 -1.13 7.08 0.04 -1.26 -0.95 135.00 137.07 1j8h s PRO 114 Ca -0.02 0.43 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 1j8h s PRO 114 Cb -0.00 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.83 1j8h s PRO 114 CO 0.02 -3.33 2.32 -2.30 0.04 0.00 0.00 177.00 173.75 1j8h n PRO 115 N -4.58 2.50 -3.64 0.56 -0.02 -1.26 -4.80 135.00 123.77 1j8h n PRO 115 Ca 0.06 -1.80 -0.15 0.00 -2.02 0.00 0.00 63.50 59.59 1j8h n PRO 115 Cb 0.57 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.24 1j8h n PRO 115 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j8h s VAL 116 N 3.28 -0.38 0.05 -1.45 1.01 -1.26 -5.04 120.40 116.61 1j8h s VAL 116 Ca 0.51 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 1j8h s VAL 116 Cb 0.13 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 1j8h s VAL 116 CO -0.03 0.09 0.17 0.68 0.00 0.00 0.00 175.10 176.01 1j8h s VAL 117 N 2.39 0.12 -0.20 2.92 -7.23 -1.26 -4.69 120.40 112.45 1j8h s VAL 117 Ca 0.02 -1.02 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1j8h s VAL 117 Cb -0.12 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.80 1j8h s VAL 117 CO -0.08 -0.56 -0.11 0.20 -0.31 0.00 0.00 175.10 174.23 1j8h s ASN 118 N -2.28 3.82 -0.11 4.85 0.01 -0.71 -4.97 114.94 115.54 1j8h s ASN 118 Ca -0.03 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.65 1j8h s ASN 118 Cb 0.00 -1.63 0.01 0.00 0.41 0.00 0.00 41.25 40.05 1j8h s ASN 118 CO -0.06 -0.00 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.68 1j8h s VAL 119 N 1.36 1.58 -0.04 1.60 1.01 -1.26 -0.80 120.40 123.85 1j8h s VAL 119 Ca 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1j8h s VAL 119 Cb -0.14 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1j8h s VAL 119 CO -0.07 0.46 -0.05 -0.89 0.00 0.00 0.00 175.10 174.55 1j8h s THR 120 N 0.94 0.59 0.16 3.92 2.01 -0.32 -4.99 115.64 117.94 1j8h s THR 120 Ca -0.07 -0.16 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 1j8h s THR 120 Cb -0.15 -0.60 -0.08 0.00 0.01 0.00 0.00 72.50 71.68 1j8h s THR 120 CO -0.01 0.23 0.71 0.26 -0.69 0.00 0.00 174.62 175.12 1j8h s TRP 121 N 0.83 3.81 -0.08 4.92 0.52 -1.26 -0.33 118.94 127.35 1j8h s TRP 121 Ca -0.12 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.49 1j8h s TRP 121 Cb -0.14 -2.66 0.02 0.00 -1.15 0.00 0.00 33.47 29.54 1j8h s TRP 121 CO 0.01 0.48 -0.11 -0.51 0.02 0.00 0.00 176.95 176.84 1j8h s LEU 122 N -1.39 1.51 -0.29 2.99 1.43 0.12 -1.73 118.68 121.32 1j8h s LEU 122 Ca 0.36 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1j8h s LEU 122 Cb -0.20 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.26 1j8h s LEU 122 CO 0.23 -0.01 -0.02 -0.60 0.23 0.00 0.00 176.35 176.17 1j8h s ARG 123 N 0.95 2.40 -1.31 1.70 3.52 0.85 -0.38 118.95 126.67 1j8h s ARG 123 Ca -0.09 -1.28 -0.05 0.00 -0.13 0.00 0.00 55.73 54.17 1j8h s ARG 123 Cb -0.15 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1j8h s ARG 123 CO 0.00 -0.61 1.08 0.09 -0.81 0.00 0.00 175.30 175.06 1j8h n ASN 124 N 4.58 -4.37 0.00 -2.12 3.02 0.12 -2.08 115.26 114.41 1j8h n ASN 124 Ca -0.13 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1j8h n ASN 124 Cb 0.43 -4.96 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 1j8h n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j8h n GLY 125 N -1.64 2.98 3.88 7.41 0.00 -1.26 -5.01 105.19 111.55 1j8h n GLY 125 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1j8h n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j8h s LYS 126 N -0.02 3.41 0.41 1.61 1.02 -0.88 -5.00 119.74 120.30 1j8h s LYS 126 Ca 0.00 -0.19 -0.27 0.00 0.02 0.00 0.00 55.97 55.53 1j8h s LYS 126 Cb 0.00 -3.15 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 1j8h s LYS 126 CO 0.00 0.75 1.42 -2.14 -0.92 0.00 0.00 175.35 174.46 1j8h s PRO 127 N -1.24 3.91 -0.08 -1.68 0.02 -1.26 -0.10 135.00 134.57 1j8h s PRO 127 Ca 0.18 2.42 0.02 0.00 0.02 0.00 0.00 61.00 63.64 1j8h s PRO 127 Cb -0.12 -2.80 0.01 0.00 0.02 0.00 0.00 34.50 31.61 1j8h s PRO 127 CO 0.07 -0.64 -0.14 0.08 -0.33 0.00 0.00 177.00 176.05 1j8h s VAL 128 N -1.18 1.31 0.00 3.83 1.01 -0.71 -4.83 120.40 119.83 1j8h s VAL 128 Ca 0.57 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1j8h s VAL 128 Cb -0.44 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1j8h s VAL 128 CO 0.57 0.40 0.00 0.35 0.00 0.00 0.00 175.10 176.42 1j8h n THR 129 N 3.94 0.00 -1.69 3.92 -2.24 -1.26 -4.37 114.28 112.59 1j8h n THR 129 Ca -0.21 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.13 1j8h n THR 129 Cb 0.52 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1j8h n THR 129 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1j8h n THR 130 N -1.73 0.56 -0.02 4.28 -1.04 -1.26 -1.89 114.28 113.19 1j8h n THR 130 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1j8h n THR 130 Cb 0.38 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1j8h n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j8h n GLY 131 N 2.73 2.02 3.80 3.41 0.00 -1.26 -4.89 105.19 111.00 1j8h n GLY 131 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1j8h n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j8h s VAL 132 N -2.39 3.78 0.28 1.61 -7.23 -0.79 -4.45 120.40 111.20 1j8h s VAL 132 Ca 0.00 0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 61.05 1j8h s VAL 132 Cb 0.00 -3.41 -0.01 0.00 0.56 0.00 0.00 36.38 33.53 1j8h s VAL 132 CO 0.00 -0.39 0.43 -0.94 -0.31 0.00 0.00 175.10 173.89 1j8h s SER 133 N -2.43 0.31 0.22 4.85 1.04 -0.98 -5.00 113.70 111.72 1j8h s SER 133 Ca 0.65 -1.21 -0.22 0.00 0.48 0.00 0.00 55.95 55.66 1j8h s SER 133 Cb -0.16 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1j8h s SER 133 CO 0.30 -1.16 0.71 -1.83 0.98 0.00 0.00 173.24 172.23 1j8h s GLU 134 N -3.65 1.54 0.36 4.02 -1.05 -1.26 -0.96 118.70 117.70 1j8h s GLU 134 Ca 0.28 -0.77 0.08 0.00 -0.15 0.00 0.00 54.97 54.40 1j8h s GLU 134 Cb 0.00 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 1j8h s GLU 134 CO 0.14 -0.70 0.31 0.95 0.95 0.00 0.00 175.26 176.91 1j8h s THR 135 N -3.78 3.29 0.16 1.83 -4.23 -0.31 -5.00 115.64 107.61 1j8h s THR 135 Ca 0.08 -1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1j8h s THR 135 Cb -0.04 -3.13 0.04 0.00 1.34 0.00 0.00 72.50 70.71 1j8h s THR 135 CO -0.00 -0.13 0.20 1.33 -0.54 0.00 0.00 174.62 175.48 1j8h n VAL 136 N -1.42 0.00 -2.64 2.29 0.24 -1.26 -4.61 118.33 110.93 1j8h n VAL 136 Ca -0.00 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.34 61.74 1j8h n VAL 136 Cb 0.60 -1.66 -0.02 0.00 -1.47 0.00 0.00 33.84 31.30 1j8h n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j8h s PHE 137 N -1.41 3.25 -0.07 6.34 0.40 -1.26 -4.68 117.98 120.54 1j8h s PHE 137 Ca 0.12 1.36 -0.15 0.00 -0.60 0.00 0.00 56.93 57.66 1j8h s PHE 137 Cb -0.01 -3.41 -0.05 0.00 0.51 0.00 0.00 43.02 40.07 1j8h s PHE 137 CO 0.08 -0.63 0.39 -0.51 0.70 0.00 0.00 175.22 175.25 1j8h s LEU 138 N 3.36 4.36 0.48 -0.37 1.43 -0.20 -4.91 118.68 122.83 1j8h s LEU 138 Ca 0.45 0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 54.12 1j8h s LEU 138 Cb -0.15 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 1j8h s LEU 138 CO 0.09 0.18 1.29 -2.84 0.23 0.00 0.00 176.35 175.31 1j8h s PRO 139 N -0.23 3.55 0.09 1.29 0.02 -1.26 -0.84 135.00 137.63 1j8h s PRO 139 Ca 0.22 2.09 0.09 0.00 0.02 0.00 0.00 61.00 63.42 1j8h s PRO 139 Cb -0.15 -2.44 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 1j8h s PRO 139 CO 0.10 -0.81 -0.22 1.03 -0.33 0.00 0.00 177.00 176.77 1j8h s ARG 140 N -2.66 1.75 0.48 5.54 0.52 -0.99 -4.79 118.95 118.80 1j8h s ARG 140 Ca 0.65 -1.17 0.32 0.00 -0.52 0.00 0.00 55.73 55.02 1j8h s ARG 140 Cb -0.36 -2.05 1.75 0.00 0.52 0.00 0.00 34.95 34.81 1j8h s ARG 140 CO 0.45 0.49 1.99 0.93 0.02 0.00 0.00 175.30 179.17 1j8h h GLU 141 N 4.14 0.00 -0.32 3.54 5.08 -1.97 0.36 114.58 125.41 1j8h h GLU 141 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1j8h h GLU 141 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1j8h h GLU 141 CO 0.44 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.05 1j8h n ASP 142 N -2.63 2.80 -0.39 1.42 5.68 -1.26 -4.94 116.55 117.22 1j8h n ASP 142 Ca -0.02 -1.90 -0.05 0.00 -0.50 0.00 0.00 54.79 52.32 1j8h n ASP 142 Cb 0.06 -0.20 -0.02 0.00 -1.14 0.00 0.00 41.12 39.81 1j8h n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1j8h n HIS 143 N 1.07 0.00 -2.35 2.11 8.25 0.13 -5.03 115.22 119.39 1j8h n HIS 143 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1j8h n HIS 143 Cb 0.50 -1.24 0.00 0.00 1.12 0.00 0.00 29.99 30.38 1j8h n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1j8h n LEU 144 N -0.58 0.00 -4.26 2.41 4.77 -1.26 -4.86 117.00 113.22 1j8h n LEU 144 Ca -0.05 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 1j8h n LEU 144 Cb 0.18 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1j8h n LEU 144 CO 0.08 -0.26 -0.33 -0.36 -1.33 0.00 0.00 177.39 175.18 1j8h s PHE 145 N 1.31 1.29 0.26 -1.77 0.40 0.24 -2.35 117.98 117.36 1j8h s PHE 145 Ca 0.00 -0.98 0.04 0.00 -0.60 0.00 0.00 56.93 55.39 1j8h s PHE 145 Cb 0.00 -0.74 -0.06 0.00 0.51 0.00 0.00 43.02 42.74 1j8h s PHE 145 CO 0.00 -0.16 -0.00 1.03 0.70 0.00 0.00 175.22 176.79 1j8h s ARG 146 N -3.89 1.44 -0.20 0.44 0.52 -0.02 -1.46 118.95 115.77 1j8h s ARG 146 Ca 0.25 -1.74 -0.28 0.00 -0.52 0.00 0.00 55.73 53.44 1j8h s ARG 146 Cb 0.06 -0.76 0.11 0.00 0.52 0.00 0.00 34.95 34.88 1j8h s ARG 146 CO 0.05 -0.09 0.92 0.21 0.02 0.00 0.00 175.30 176.41 1j8h s LYS 147 N -3.84 0.67 -0.04 3.54 2.20 0.61 -1.03 119.74 121.84 1j8h s LYS 147 Ca 0.30 0.45 0.05 0.00 -0.36 0.00 0.00 55.97 56.41 1j8h s LYS 147 Cb 0.06 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.69 1j8h s LYS 147 CO 0.11 -0.15 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.70 1j8h s PHE 148 N -0.42 1.86 -0.04 4.03 0.40 -1.26 -1.01 117.98 121.54 1j8h s PHE 148 Ca -0.01 -0.51 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1j8h s PHE 148 Cb -0.03 -1.24 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 1j8h s PHE 148 CO -0.00 -0.16 -0.19 -1.01 0.70 0.00 0.00 175.22 174.56 1j8h s HIS 149 N -0.07 1.86 0.04 0.36 3.76 -0.73 -1.16 115.29 119.36 1j8h s HIS 149 Ca -0.02 -0.48 0.08 0.00 -0.15 0.00 0.00 55.06 54.49 1j8h s HIS 149 Cb -0.11 -1.23 -0.03 0.00 1.11 0.00 0.00 32.58 32.32 1j8h s HIS 149 CO 0.02 -0.13 -0.22 0.71 -0.85 0.00 0.00 174.74 174.27 1j8h s TYR 150 N -0.17 1.96 -0.29 1.40 2.02 -0.13 -0.65 117.35 121.50 1j8h s TYR 150 Ca 0.00 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1j8h s TYR 150 Cb -0.11 -1.17 0.10 0.00 -0.40 0.00 0.00 41.96 40.39 1j8h s TYR 150 CO 0.01 0.10 0.12 -1.17 -1.57 0.00 0.00 175.55 173.05 1j8h s LEU 151 N -1.20 0.73 0.43 -1.29 2.96 0.10 -2.32 118.68 118.09 1j8h s LEU 151 Ca 0.09 -1.30 -0.25 0.00 -0.22 0.00 0.00 54.13 52.45 1j8h s LEU 151 Cb -0.09 -0.41 -0.08 0.00 0.50 0.00 0.00 46.19 46.11 1j8h s LEU 151 CO 0.02 -0.43 1.27 -2.84 -1.32 0.00 0.00 176.35 173.05 1j8h s PRO 152 N 2.05 3.83 0.08 0.98 0.02 -1.26 -0.47 135.00 140.22 1j8h s PRO 152 Ca 0.09 2.07 -0.26 0.00 0.02 0.00 0.00 61.00 62.92 1j8h s PRO 152 Cb -0.16 -2.62 0.08 0.00 0.02 0.00 0.00 34.50 31.82 1j8h s PRO 152 CO -0.34 -0.58 0.77 -0.59 -0.33 0.00 0.00 177.00 175.93 1j8h s PHE 153 N -1.33 -0.40 -0.33 6.54 -0.71 0.26 -4.89 117.98 117.11 1j8h s PHE 153 Ca 0.60 0.22 -0.11 0.00 -1.04 0.00 0.00 56.93 56.60 1j8h s PHE 153 Cb -0.36 0.56 -0.00 0.00 -1.21 0.00 0.00 43.02 42.01 1j8h s PHE 153 CO 0.45 -0.70 0.19 -0.51 -1.34 0.00 0.00 175.22 173.31 1j8h s LEU 154 N -2.63 4.37 0.33 -1.99 1.43 -1.26 -1.32 118.68 117.61 1j8h s LEU 154 Ca 0.04 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1j8h s LEU 154 Cb -0.01 -2.05 -0.11 0.00 0.03 0.00 0.00 46.19 44.05 1j8h s LEU 154 CO -0.09 -0.25 1.49 -2.84 0.23 0.00 0.00 176.35 174.89 1j8h s PRO 155 N 1.63 4.16 0.05 1.29 0.02 -1.26 -4.85 135.00 136.04 1j8h s PRO 155 Ca 0.05 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 1j8h s PRO 155 Cb -0.18 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 1j8h s PRO 155 CO 0.08 -0.51 -0.00 -1.54 -0.33 0.00 0.00 177.00 174.69 1j8h s SER 156 N 0.08 0.39 0.42 2.53 1.04 -1.26 -1.99 113.70 114.91 1j8h s SER 156 Ca 0.56 -0.85 0.23 0.00 0.48 0.00 0.00 55.95 56.37 1j8h s SER 156 Cb -0.46 0.20 0.64 0.00 0.10 0.00 0.00 66.02 66.51 1j8h s SER 156 CO 0.55 -0.55 1.71 0.71 0.98 0.00 0.00 173.24 176.63 1j8h h THR 157 N 3.40 0.39 0.00 2.02 1.35 -1.95 -3.29 112.91 114.83 1j8h h THR 157 Ca -0.34 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 1j8h h THR 157 Cb 1.16 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 1j8h h THR 157 CO 0.60 0.19 -0.78 -0.33 -0.25 0.00 0.00 175.52 174.95 1j8h h GLU 158 N 0.00 0.00 -6.00 4.72 5.08 -1.98 -3.48 114.58 112.92 1j8h h GLU 158 Ca -0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1j8h h GLU 158 Cb 0.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1j8h h GLU 158 CO 0.03 0.00 -0.21 -0.51 -1.00 0.00 0.00 179.01 177.32 1j8h s ASP 159 N -5.55 6.80 -0.04 1.42 -0.00 -1.24 -5.01 116.67 113.05 1j8h s ASP 159 Ca 0.01 0.95 0.06 0.00 -0.00 0.00 0.00 52.55 53.57 1j8h s ASP 159 Cb 0.09 -2.24 -0.01 0.00 -0.00 0.00 0.00 42.92 40.75 1j8h s ASP 159 CO 0.76 0.33 -0.23 -0.69 -0.00 0.00 0.00 175.17 175.34 1j8h s VAL 160 N -1.09 1.87 0.17 -1.27 1.01 -1.26 -4.54 120.40 115.29 1j8h s VAL 160 Ca 0.24 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.34 1j8h s VAL 160 Cb -0.17 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1j8h s VAL 160 CO 0.13 0.53 -0.23 -0.31 0.00 0.00 0.00 175.10 175.22 1j8h s TYR 161 N -0.28 2.15 -0.07 5.22 2.02 0.07 0.15 117.35 126.61 1j8h s TYR 161 Ca 0.01 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 1j8h s TYR 161 Cb -0.11 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.37 1j8h s TYR 161 CO 0.02 0.41 0.17 -0.51 -1.57 0.00 0.00 175.55 174.07 1j8h s ASP 162 N -2.47 -0.18 -0.35 2.29 1.01 0.49 -0.95 116.67 116.50 1j8h s ASP 162 Ca 0.17 0.35 -0.09 0.00 0.71 0.00 0.00 52.55 53.70 1j8h s ASP 162 Cb -0.08 0.34 0.03 0.00 1.01 0.00 0.00 42.92 44.22 1j8h s ASP 162 CO 0.08 -0.08 0.15 0.00 0.21 0.00 0.00 175.17 175.53 1j8h s ARG 164 N 1.49 4.18 -0.11 0.00 3.52 0.55 -1.85 118.95 126.72 1j8h s ARG 164 Ca 0.01 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 1j8h s ARG 164 Cb -0.19 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1j8h s ARG 164 CO 0.05 0.09 -0.17 0.08 -0.81 0.00 0.00 175.30 174.54 1j8h s VAL 165 N 0.93 1.63 -0.12 7.11 1.01 0.61 -1.18 120.40 130.40 1j8h s VAL 165 Ca 0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1j8h s VAL 165 Cb -0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1j8h s VAL 165 CO 0.05 0.47 -0.06 -1.61 0.00 0.00 0.00 175.10 173.95 1j8h s GLU 166 N 0.89 3.30 -0.16 2.72 2.02 0.02 -0.74 118.70 126.75 1j8h s GLU 166 Ca -0.08 -0.54 -0.18 0.00 0.02 0.00 0.00 54.97 54.19 1j8h s GLU 166 Cb -0.15 -2.77 0.05 0.00 0.10 0.00 0.00 34.13 31.36 1j8h s GLU 166 CO -0.01 0.40 0.49 -1.58 0.02 0.00 0.00 175.26 174.58 1j8h s HIS 167 N -0.09 -0.51 -1.34 1.61 2.46 -1.26 -1.74 115.29 114.40 1j8h s HIS 167 Ca 0.01 1.21 0.01 0.00 0.47 0.00 0.00 55.06 56.76 1j8h s HIS 167 Cb -0.13 0.19 0.03 0.00 -0.13 0.00 0.00 32.58 32.54 1j8h s HIS 167 CO 0.03 -0.29 0.85 0.91 -2.47 0.00 0.00 174.74 173.77 1j8h n TRP 168 N 2.55 0.00 1.02 3.88 8.01 -1.26 -0.35 117.44 131.29 1j8h n TRP 168 Ca -0.14 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.16 1j8h n TRP 168 Cb 0.57 -0.33 0.13 0.00 -2.01 0.00 0.00 31.31 29.67 1j8h n TRP 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1j8h n GLY 169 N -1.28 -1.07 3.68 6.99 0.00 -1.26 -4.87 105.19 107.39 1j8h n GLY 169 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1j8h n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8h s LEU 170 N -2.94 3.95 0.49 0.99 1.43 0.53 -4.37 118.68 118.76 1j8h s LEU 170 Ca 0.11 0.16 0.17 0.00 -1.03 0.00 0.00 54.13 53.54 1j8h s LEU 170 Cb 0.17 -2.00 1.21 0.00 0.03 0.00 0.00 46.19 45.61 1j8h s LEU 170 CO 0.74 0.21 2.08 0.44 0.23 0.00 0.00 176.35 180.04 1j8h h ASP 171 N 6.46 0.00 -5.09 2.29 3.32 -1.89 -3.45 116.42 118.07 1j8h h ASP 171 Ca -0.40 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 1j8h h ASP 171 Cb 1.17 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1j8h h ASP 171 CO 0.70 0.10 -0.26 -1.83 -1.72 0.00 0.00 179.24 176.23 1j8h s GLU 172 N -4.76 0.87 0.46 3.56 -1.05 -1.26 -5.14 118.70 111.38 1j8h s GLU 172 Ca -0.04 -0.70 -0.23 0.00 -0.15 0.00 0.00 54.97 53.85 1j8h s GLU 172 Cb 0.16 0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 34.12 1j8h s GLU 172 CO 0.66 -0.29 0.93 -2.30 0.95 0.00 0.00 175.26 175.22 1j8h n PRO 173 N 0.21 1.16 -4.26 -4.83 -0.02 -1.26 -4.90 135.00 121.09 1j8h n PRO 173 Ca -0.17 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.39 1j8h n PRO 173 Cb 0.61 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 1j8h n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j8h s LEU 174 N -0.52 3.61 -0.18 2.45 2.96 0.08 -4.93 118.68 122.15 1j8h s LEU 174 Ca 0.66 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1j8h s LEU 174 Cb -0.53 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.33 1j8h s LEU 174 CO 0.55 0.28 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.94 1j8h s LEU 175 N -0.30 2.06 -0.20 -0.68 1.43 -1.26 -0.28 118.68 119.45 1j8h s LEU 175 Ca 0.07 -0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 1j8h s LEU 175 Cb -0.12 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1j8h s LEU 175 CO 0.02 -0.05 0.01 -0.54 0.23 0.00 0.00 176.35 176.02 1j8h s LYS 176 N 1.36 3.66 0.13 1.70 -0.14 -0.77 -4.92 119.74 120.75 1j8h s LYS 176 Ca 0.04 -0.50 -0.05 0.00 -1.36 0.00 0.00 55.97 54.09 1j8h s LYS 176 Cb -0.14 -3.10 -0.06 0.00 -1.68 0.00 0.00 37.83 32.86 1j8h s LYS 176 CO -0.11 0.03 0.37 -1.58 -0.76 0.00 0.00 175.35 173.30 1j8h s HIS 177 N 0.95 3.48 -0.16 3.18 5.65 -1.26 -0.59 115.29 126.54 1j8h s HIS 177 Ca 0.02 0.56 -0.15 0.00 0.25 0.00 0.00 55.06 55.74 1j8h s HIS 177 Cb -0.14 -2.01 0.04 0.00 -1.18 0.00 0.00 32.58 29.29 1j8h s HIS 177 CO 0.02 0.45 0.44 -0.46 -0.65 0.00 0.00 174.74 174.54 1j8h s TRP 178 N -1.63 -0.48 -0.01 3.88 -0.00 -0.13 -4.92 118.94 115.65 1j8h s TRP 178 Ca 0.40 1.17 -0.25 0.00 -0.00 0.00 0.00 56.10 57.43 1j8h s TRP 178 Cb -0.12 0.16 0.05 0.00 -0.00 0.00 0.00 33.47 33.57 1j8h s TRP 178 CO 0.24 -0.23 0.55 -1.83 -0.00 0.00 0.00 176.95 175.68 1j8h s GLU 179 N 0.23 0.97 -0.13 5.86 -1.05 -1.26 -0.75 118.70 122.57 1j8h s GLU 179 Ca -0.00 -0.00 -0.29 0.00 -0.15 0.00 0.00 54.97 54.53 1j8h s GLU 179 Cb -0.03 0.45 -0.06 0.00 -0.44 0.00 0.00 34.13 34.05 1j8h s GLU 179 CO 0.01 -0.31 2.08 0.12 0.95 0.00 0.00 175.26 178.11 1j8h s PHE 180 N -1.64 1.27 -2.00 4.83 5.36 -1.26 -5.08 117.98 119.46 1j8h s PHE 180 Ca -0.10 0.17 0.18 0.00 -0.96 0.00 0.00 56.93 56.23 1j8h s PHE 180 Cb -0.01 -4.05 1.10 0.00 -0.34 0.00 0.00 43.02 39.71 1j8h s PHE 180 CO 0.05 -4.55 1.49 -0.25 -1.46 0.00 0.00 175.22 170.50