#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbj s HIS 5 N 0.00 0.29 -0.06 -1.84 3.76 -1.26 -5.12 115.29 111.06 2wbj s HIS 5 Ca 0.00 -0.71 -0.01 0.00 -0.15 0.00 0.00 55.06 54.20 2wbj s HIS 5 Cb 0.00 -0.20 0.03 0.00 1.11 0.00 0.00 32.58 33.52 2wbj s HIS 5 CO 0.00 -0.42 -0.01 0.08 -0.85 0.00 0.00 174.74 173.54 2wbj s VAL 6 N -3.37 0.37 -0.17 -0.90 1.01 -1.26 -5.05 120.40 111.04 2wbj s VAL 6 Ca 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 2wbj s VAL 6 Cb 0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2wbj s VAL 6 CO -0.08 0.24 -0.01 -0.63 0.00 0.00 0.00 175.10 174.61 2wbj s ILE 7 N 1.62 4.06 -0.13 2.22 1.01 -1.26 -1.58 121.20 127.14 2wbj s ILE 7 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2wbj s ILE 7 Cb -0.13 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.56 2wbj s ILE 7 CO -0.04 0.47 -0.17 -0.63 0.00 0.00 0.00 174.94 174.57 2wbj s ILE 8 N 0.53 1.70 -0.51 2.92 1.01 0.03 -4.96 121.20 121.92 2wbj s ILE 8 Ca -0.02 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 59.60 2wbj s ILE 8 Cb -0.14 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.82 2wbj s ILE 8 CO 0.02 0.48 1.14 -1.58 0.00 0.00 0.00 174.94 175.00 2wbj s GLN 9 N 1.06 3.63 -0.16 2.79 0.74 -1.26 -0.17 119.66 126.30 2wbj s GLN 9 Ca -0.04 0.42 -0.01 0.00 0.05 0.00 0.00 55.36 55.78 2wbj s GLN 9 Cb -0.15 -3.95 -0.01 0.00 1.10 0.00 0.00 33.01 30.01 2wbj s GLN 9 CO -0.04 -1.48 -0.11 0.00 -0.55 0.00 0.00 175.29 173.11 2wbj s ALA 10 N 4.58 2.65 0.06 1.58 0.00 0.13 -4.98 121.76 125.78 2wbj s ALA 10 Ca 0.45 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2wbj s ALA 10 Cb -0.07 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2wbj s ALA 10 CO 0.29 0.02 -0.05 -1.83 0.00 0.00 0.00 175.76 174.20 2wbj s GLU 11 N 0.72 0.65 0.06 0.00 -1.05 -1.26 -0.76 118.70 117.06 2wbj s GLU 11 Ca -0.05 -1.15 -0.06 0.00 -0.15 0.00 0.00 54.97 53.55 2wbj s GLU 11 Cb -0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 34.13 33.53 2wbj s GLU 11 CO 0.02 -0.05 0.12 -0.59 0.95 0.00 0.00 175.26 175.70 2wbj s PHE 12 N -3.31 0.23 0.00 4.83 -0.12 -1.07 -4.98 117.98 113.57 2wbj s PHE 12 Ca 0.05 -0.63 0.04 0.00 -0.05 0.00 0.00 56.93 56.34 2wbj s PHE 12 Cb 0.03 -0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 2wbj s PHE 12 CO -0.06 -0.44 -0.14 -0.47 -0.05 0.00 0.00 175.22 174.06 2wbj s TYR 13 N -3.37 1.22 -0.07 3.49 5.04 -1.26 -1.70 117.35 120.70 2wbj s TYR 13 Ca 0.01 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2wbj s TYR 13 Cb 0.03 -0.77 0.02 0.00 0.35 0.00 0.00 41.96 41.59 2wbj s TYR 13 CO -0.08 -0.00 -0.09 -1.17 -1.34 0.00 0.00 175.55 172.86 2wbj s LEU 14 N -0.55 1.47 0.15 6.97 2.96 -0.97 -5.01 118.68 123.71 2wbj s LEU 14 Ca 0.04 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 2wbj s LEU 14 Cb -0.06 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 2wbj s LEU 14 CO -0.00 -0.02 -0.03 0.20 -1.32 0.00 0.00 176.35 175.18 2wbj s ASN 15 N 0.92 4.65 -0.10 3.68 0.01 -1.26 -1.25 114.94 121.59 2wbj s ASN 15 Ca -0.10 -0.40 0.10 0.00 -0.71 0.00 0.00 52.86 51.76 2wbj s ASN 15 Cb -0.15 -0.96 0.48 0.00 0.41 0.00 0.00 41.25 41.03 2wbj s ASN 15 CO 0.01 0.12 1.29 -0.81 -1.51 0.00 0.00 177.10 176.20 2wbj n PRO 16 N 0.15 3.00 0.27 -0.60 -0.04 -1.26 -4.87 135.00 131.65 2wbj n PRO 16 Ca -0.11 -1.86 0.15 0.00 -0.04 0.00 0.00 63.50 61.65 2wbj n PRO 16 Cb 0.54 -1.78 0.76 0.00 -0.04 0.00 0.00 33.50 32.98 2wbj n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wbj h ASP 17 N 2.54 0.00 -6.37 3.54 5.19 -2.03 -3.47 116.42 115.83 2wbj h ASP 17 Ca 0.00 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.96 2wbj h ASP 17 Cb 1.17 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.73 2wbj h ASP 17 CO 0.21 0.08 -0.92 0.00 -3.12 0.00 0.00 179.24 175.50 2wbj n GLN 18 N -3.36 -1.05 -4.00 3.56 6.02 -0.38 -5.01 117.38 113.16 2wbj n GLN 18 Ca -0.01 0.47 -0.23 0.00 -0.01 0.00 0.00 57.00 57.21 2wbj n GLN 18 Cb 0.26 -3.72 -0.17 0.00 1.02 0.00 0.00 30.24 27.63 2wbj n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wbj s SER 19 N -3.40 1.59 0.21 1.08 1.04 -1.13 -5.00 113.70 108.10 2wbj s SER 19 Ca 0.41 -0.18 0.10 0.00 0.48 0.00 0.00 55.95 56.76 2wbj s SER 19 Cb -0.17 -0.59 -0.04 0.00 0.10 0.00 0.00 66.02 65.32 2wbj s SER 19 CO 0.88 -0.11 -0.14 -0.83 0.98 0.00 0.00 173.24 174.02 2wbj s GLY 20 N 1.47 1.74 0.20 7.32 0.00 -1.26 -2.29 107.32 114.50 2wbj s GLY 20 Ca -0.01 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.12 2wbj s GLY 20 CO -0.04 -1.65 -0.01 -0.54 0.00 0.00 0.00 173.10 170.86 2wbj s GLU 21 N -3.01 1.22 -0.22 2.90 2.02 -0.69 -4.75 118.70 116.16 2wbj s GLU 21 Ca 0.25 -1.59 -0.08 0.00 0.02 0.00 0.00 54.97 53.56 2wbj s GLU 21 Cb -0.08 -0.46 0.09 0.00 0.10 0.00 0.00 34.13 33.78 2wbj s GLU 21 CO 0.14 -0.10 0.48 0.12 0.02 0.00 0.00 175.26 175.93 2wbj s PHE 22 N -3.52 -0.91 0.02 1.61 5.36 -1.26 -2.60 117.98 116.69 2wbj s PHE 22 Ca 0.26 1.71 -0.17 0.00 -0.96 0.00 0.00 56.93 57.76 2wbj s PHE 22 Cb 0.06 0.43 0.03 0.00 -0.34 0.00 0.00 43.02 43.19 2wbj s PHE 22 CO 0.06 -0.51 0.37 0.00 -1.46 0.00 0.00 175.22 173.68 2wbj s MET 23 N 2.45 0.83 -0.15 10.12 0.23 0.06 -1.98 119.30 130.86 2wbj s MET 23 Ca -0.04 -0.32 -0.06 0.00 -1.03 0.00 0.00 55.69 54.23 2wbj s MET 23 Cb -0.11 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 2wbj s MET 23 CO -0.15 -0.27 0.07 -0.06 -2.03 0.00 0.00 175.02 172.59 2wbj s PHE 24 N -2.13 3.32 -0.06 3.16 0.40 -0.98 0.17 117.98 121.85 2wbj s PHE 24 Ca -0.08 0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.53 2wbj s PHE 24 Cb -0.02 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 2wbj s PHE 24 CO -0.00 0.38 -0.23 0.34 0.70 0.00 0.00 175.22 176.41 2wbj s ASP 25 N -0.27 2.87 -0.22 1.36 -1.08 0.77 -0.72 116.67 119.38 2wbj s ASP 25 Ca 0.09 -0.49 0.02 0.00 -0.52 0.00 0.00 52.55 51.65 2wbj s ASP 25 Cb -0.12 -0.92 0.04 0.00 -1.46 0.00 0.00 42.92 40.46 2wbj s ASP 25 CO 0.01 0.20 -0.14 0.12 0.52 0.00 0.00 175.17 175.88 2wbj s PHE 26 N 0.01 2.94 -1.28 -5.34 5.36 0.18 -0.79 117.98 119.06 2wbj s PHE 26 Ca -0.07 -1.94 -0.12 0.00 -0.96 0.00 0.00 56.93 53.84 2wbj s PHE 26 Cb -0.14 -1.88 0.10 0.00 -0.34 0.00 0.00 43.02 40.76 2wbj s PHE 26 CO 0.05 -0.83 0.48 -0.25 -1.46 0.00 0.00 175.22 173.21 2wbj n ASP 27 N 4.55 -3.02 0.00 6.13 9.92 -0.62 -0.85 116.55 132.67 2wbj n ASP 27 Ca -0.17 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 2wbj n ASP 27 Cb 0.46 -2.53 0.00 0.00 -0.64 0.00 0.00 41.12 38.41 2wbj n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wbj n GLY 28 N -1.10 0.77 3.22 0.44 0.00 -1.26 -5.07 105.19 102.20 2wbj n GLY 28 Ca 0.02 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2wbj n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wbj s ASP 29 N -2.09 2.46 0.08 1.61 1.01 -0.03 -5.08 116.67 114.63 2wbj s ASP 29 Ca 0.00 -0.38 -0.31 0.00 0.71 0.00 0.00 52.55 52.57 2wbj s ASP 29 Cb 0.00 -0.27 -0.07 0.00 1.01 0.00 0.00 42.92 43.58 2wbj s ASP 29 CO 0.00 0.26 1.43 -0.70 0.21 0.00 0.00 175.17 176.37 2wbj s GLU 30 N -0.49 4.29 -0.14 8.23 2.12 -1.26 0.52 118.70 131.97 2wbj s GLU 30 Ca 0.08 2.08 -0.16 0.00 0.36 0.00 0.00 54.97 57.33 2wbj s GLU 30 Cb -0.08 -3.38 -0.14 0.00 0.26 0.00 0.00 34.13 30.78 2wbj s GLU 30 CO -0.01 -0.52 0.34 0.82 -0.54 0.00 0.00 175.26 175.35 2wbj h ILE 31 N 4.51 0.90 -3.41 -3.70 2.04 -1.28 -3.42 117.51 113.15 2wbj h ILE 31 Ca -0.41 -1.74 -0.04 0.00 1.00 0.00 0.00 64.86 63.67 2wbj h ILE 31 Cb 1.20 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 2wbj h ILE 31 CO 0.89 0.30 0.04 0.72 0.00 0.00 0.00 178.15 180.10 2wbj s PHE 32 N -2.02 0.24 0.11 1.37 -0.71 -1.24 -1.14 117.98 114.59 2wbj s PHE 32 Ca -0.14 -0.66 -0.06 0.00 -1.04 0.00 0.00 56.93 55.03 2wbj s PHE 32 Cb -0.00 0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 42.21 2wbj s PHE 32 CO 0.40 -1.17 0.16 -3.38 -1.34 0.00 0.00 175.22 169.88 2wbj s HIS 33 N -3.61 0.36 -0.14 3.49 -3.43 -0.47 -2.32 115.29 109.15 2wbj s HIS 33 Ca 0.19 -0.79 -0.04 0.00 -0.80 0.00 0.00 55.06 53.62 2wbj s HIS 33 Cb -0.03 -0.17 -0.03 0.00 -1.43 0.00 0.00 32.58 30.92 2wbj s HIS 33 CO 0.10 -0.56 -0.01 0.14 -2.00 0.00 0.00 174.74 172.42 2wbj s VAL 34 N -3.92 4.18 -0.37 -5.38 -7.23 -0.84 0.29 120.40 107.15 2wbj s VAL 34 Ca 0.11 -0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 59.78 2wbj s VAL 34 Cb 0.05 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 34.18 2wbj s VAL 34 CO -0.07 0.51 0.81 -0.62 -0.31 0.00 0.00 175.10 175.42 2wbj s ASP 35 N 0.06 6.57 0.23 4.85 2.15 -0.59 -4.39 116.67 125.56 2wbj s ASP 35 Ca 0.02 0.38 -0.07 0.00 0.43 0.00 0.00 52.55 53.30 2wbj s ASP 35 Cb -0.13 -2.41 0.22 0.00 -0.30 0.00 0.00 42.92 40.30 2wbj s ASP 35 CO 0.02 -0.76 1.88 0.24 -0.17 0.00 0.00 175.17 176.39 2wbj h MET 36 N 8.49 1.25 0.59 4.34 2.86 -1.88 0.17 114.93 130.76 2wbj h MET 36 Ca -0.24 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 2wbj h MET 36 Cb 1.09 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 2wbj h MET 36 CO 0.92 0.87 -0.37 0.00 1.06 0.00 0.00 176.91 179.39 2wbj h ALA 37 N 1.30 -0.94 0.00 6.32 0.00 -1.95 -3.04 119.26 120.95 2wbj h ALA 37 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wbj h ALA 37 Cb -0.06 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wbj h ALA 37 CO -0.06 -1.04 0.00 1.63 0.00 0.00 0.00 179.25 179.77 2wbj n LYS 38 N -5.51 0.20 -3.70 0.00 5.02 -1.18 -4.95 118.16 108.04 2wbj n LYS 38 Ca -0.13 0.17 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 2wbj n LYS 38 Cb 0.40 -1.73 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 2wbj n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wbj n LYS 39 N -2.08 -5.69 -4.01 1.97 5.02 0.58 -5.02 118.16 108.94 2wbj n LYS 39 Ca 0.06 0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 56.93 2wbj n LYS 39 Cb 0.40 -5.44 -0.11 0.00 -0.02 0.00 0.00 35.03 29.86 2wbj n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2wbj s GLU 40 N -6.09 0.38 -0.13 1.97 -1.05 -1.16 -4.83 118.70 107.78 2wbj s GLU 40 Ca 0.24 -0.74 -0.17 0.00 -0.15 0.00 0.00 54.97 54.16 2wbj s GLU 40 Cb -0.12 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.63 2wbj s GLU 40 CO 0.80 -0.05 0.42 0.95 0.95 0.00 0.00 175.26 178.32 2wbj s THR 41 N -1.91 5.23 -0.22 1.83 -4.23 -1.26 -1.54 115.64 113.53 2wbj s THR 41 Ca -0.11 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2wbj s THR 41 Cb -0.07 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 70.04 2wbj s THR 41 CO -0.03 0.35 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.59 2wbj s VAL 42 N 0.58 2.43 0.10 2.29 1.01 0.15 -4.98 120.40 121.96 2wbj s VAL 42 Ca 0.23 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2wbj s VAL 42 Cb -0.14 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 2wbj s VAL 42 CO 0.08 0.29 1.02 0.26 0.00 0.00 0.00 175.10 176.75 2wbj s TRP 43 N 1.27 3.69 0.27 5.22 0.52 -1.26 -1.37 118.94 127.27 2wbj s TRP 43 Ca 0.00 1.68 -0.02 0.00 0.02 0.00 0.00 56.10 57.78 2wbj s TRP 43 Cb -0.16 -3.16 0.41 0.00 -1.15 0.00 0.00 33.47 29.42 2wbj s TRP 43 CO -0.08 -0.19 1.89 -0.09 0.02 0.00 0.00 176.95 178.50 2wbj h ARG 44 N 5.87 1.14 -5.20 4.98 9.65 -1.38 -3.35 114.38 126.09 2wbj h ARG 44 Ca -0.43 -0.07 -0.66 0.00 -1.10 0.00 0.00 59.98 57.73 2wbj h ARG 44 Cb 1.21 -0.26 -0.28 0.00 -1.39 0.00 0.00 29.97 29.26 2wbj h ARG 44 CO 0.74 0.75 -0.76 -0.51 2.80 0.00 0.00 179.97 182.99 2wbj s LEU 45 N -10.14 2.74 0.15 3.80 1.43 -1.26 -5.01 118.68 110.38 2wbj s LEU 45 Ca -0.12 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2wbj s LEU 45 Cb 0.20 -1.64 0.24 0.00 0.03 0.00 0.00 46.19 45.02 2wbj s LEU 45 CO 0.81 0.10 0.85 1.21 0.23 0.00 0.00 176.35 179.55 2wbj n GLU 46 N 4.00 -0.06 0.23 1.70 4.07 -1.26 -1.04 120.64 128.29 2wbj n GLU 46 Ca -0.18 0.85 0.12 0.00 -0.06 0.00 0.00 57.16 57.89 2wbj n GLU 46 Cb 0.52 -1.27 0.73 0.00 -0.06 0.00 0.00 31.44 31.35 2wbj n GLU 46 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2wbj h GLU 47 N 0.00 0.00 -0.63 5.31 4.57 -1.94 -2.52 114.58 119.37 2wbj h GLU 47 Ca 0.26 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 2wbj h GLU 47 Cb 0.39 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2wbj h GLU 47 CO -0.56 0.00 0.05 0.74 -1.18 0.00 0.00 179.01 178.05 2wbj h PHE 48 N 0.00 1.16 0.00 0.92 0.04 -1.48 -3.17 116.94 114.41 2wbj h PHE 48 Ca 0.04 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.63 2wbj h PHE 48 Cb 0.17 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.01 2wbj h PHE 48 CO 0.00 1.00 0.01 0.78 -0.60 0.00 0.00 178.31 179.50 2wbj h GLY 49 N 1.02 0.00 0.24 -1.45 0.00 -1.58 -1.15 103.07 100.14 2wbj h GLY 49 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2wbj h GLY 49 CO 0.02 0.00 -0.18 0.54 0.00 0.00 0.00 176.54 176.92 2wbj n ARG 50 N -2.39 0.96 -0.00 4.80 1.74 -1.20 -3.97 116.66 116.60 2wbj n ARG 50 Ca -0.02 -0.52 0.03 0.00 -0.77 0.00 0.00 57.85 56.57 2wbj n ARG 50 Cb 0.05 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 2wbj n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2wbj n PHE 51 N -0.56 0.00 -3.79 -1.55 3.72 -0.44 -5.07 117.46 109.77 2wbj n PHE 51 Ca 0.14 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.45 2wbj n PHE 51 Cb 0.33 -0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 2wbj n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wbj s ALA 52 N -2.49 -0.45 0.10 4.37 0.00 -1.18 -5.18 121.76 116.94 2wbj s ALA 52 Ca -0.03 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2wbj s ALA 52 Cb 0.05 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2wbj s ALA 52 CO 0.30 -0.55 -0.12 -1.54 0.00 0.00 0.00 175.76 173.86 2wbj s SER 53 N -2.82 1.64 -0.10 0.00 1.04 -1.26 -4.57 113.70 107.62 2wbj s SER 53 Ca 0.04 -0.80 -0.05 0.00 0.48 0.00 0.00 55.95 55.62 2wbj s SER 53 Cb 0.04 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.18 2wbj s SER 53 CO -0.11 -0.21 0.22 0.12 0.98 0.00 0.00 173.24 174.23 2wbj s PHE 54 N -2.28 -0.29 -0.20 5.02 2.19 -1.26 -5.14 117.98 116.02 2wbj s PHE 54 Ca 0.06 0.71 -0.22 0.00 0.33 0.00 0.00 56.93 57.81 2wbj s PHE 54 Cb -0.04 0.01 -0.02 0.00 -1.31 0.00 0.00 43.02 41.66 2wbj s PHE 54 CO 0.01 -0.22 0.68 -1.83 1.83 0.00 0.00 175.22 175.69 2wbj s GLU 55 N 1.28 4.21 0.51 10.12 1.03 -1.26 -4.77 118.70 129.82 2wbj s GLU 55 Ca -0.09 0.70 0.16 0.00 0.03 0.00 0.00 54.97 55.77 2wbj s GLU 55 Cb -0.11 -3.59 1.22 0.00 -0.80 0.00 0.00 34.13 30.85 2wbj s GLU 55 CO -0.08 -0.30 2.12 0.00 -1.33 0.00 0.00 175.26 175.66 2wbj h ALA 56 N 7.53 1.92 0.00 -0.84 0.00 -1.93 -2.28 119.26 123.66 2wbj h ALA 56 Ca -0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wbj h ALA 56 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wbj h ALA 56 CO 0.79 0.05 0.00 1.04 0.00 0.00 0.00 179.25 181.13 2wbj n GLN 57 N -4.48 0.05 -0.03 0.00 3.00 -1.26 -1.74 117.38 112.93 2wbj n GLN 57 Ca -0.03 0.20 -0.13 0.00 -0.01 0.00 0.00 57.00 57.03 2wbj n GLN 57 Cb 0.12 -1.58 -0.10 0.00 0.00 0.00 0.00 30.24 28.68 2wbj n GLN 57 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2wbj h GLY 58 N 3.33 0.03 1.02 1.08 0.00 -1.83 -2.99 103.07 103.70 2wbj h GLY 58 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2wbj h GLY 58 CO 0.00 0.03 0.38 0.00 0.00 0.00 0.00 176.54 176.96 2wbj h ALA 59 N 0.41 0.96 -1.00 3.60 0.00 -1.49 -1.82 119.26 119.93 2wbj h ALA 59 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2wbj h ALA 59 Cb 0.62 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2wbj h ALA 59 CO 0.00 0.51 0.65 -0.07 0.00 0.00 0.00 179.25 180.34 2wbj h LEU 60 N 1.04 1.09 -0.88 0.00 3.38 -1.48 -0.59 115.31 117.88 2wbj h LEU 60 Ca 0.26 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2wbj h LEU 60 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2wbj h LEU 60 CO -0.04 0.75 0.03 0.00 0.09 0.00 0.00 178.44 179.27 2wbj h ALA 61 N 1.41 1.07 -0.78 1.53 0.00 -1.32 -2.52 119.26 118.64 2wbj h ALA 61 Ca 0.40 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2wbj h ALA 61 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2wbj h ALA 61 CO -0.12 0.59 0.30 -0.91 0.00 0.00 0.00 179.25 179.10 2wbj h ASN 62 N 0.81 1.10 -0.30 0.00 4.21 -0.45 -3.15 115.58 117.79 2wbj h ASN 62 Ca 0.16 -0.18 -0.12 0.00 1.21 0.00 0.00 56.30 57.37 2wbj h ASN 62 Cb 0.44 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 2wbj h ASN 62 CO 0.02 0.98 -0.24 0.40 -1.29 0.00 0.00 177.43 177.30 2wbj h ILE 63 N 1.15 1.27 -0.96 2.81 1.08 -0.90 -1.68 117.51 120.28 2wbj h ILE 63 Ca 0.26 -1.36 0.06 0.00 -0.39 0.00 0.00 64.86 63.42 2wbj h ILE 63 Cb 0.24 1.23 -0.06 0.00 -3.07 0.00 0.00 36.82 35.16 2wbj h ILE 63 CO -0.02 0.45 0.62 0.00 -0.69 0.00 0.00 178.15 178.52 2wbj h ALA 64 N 1.05 1.43 -0.20 1.87 0.00 -1.42 0.26 119.26 122.26 2wbj h ALA 64 Ca 0.09 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2wbj h ALA 64 Cb 0.76 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wbj h ALA 64 CO 0.06 0.44 -0.59 0.28 0.00 0.00 0.00 179.25 179.44 2wbj h VAL 65 N 1.14 1.31 -0.21 0.00 2.07 -1.45 -1.53 116.25 117.57 2wbj h VAL 65 Ca 0.40 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 2wbj h VAL 65 Cb 0.13 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2wbj h VAL 65 CO -0.15 0.58 0.11 0.44 0.02 0.00 0.00 177.57 178.57 2wbj h ASP 66 N 0.49 0.27 -0.40 0.57 3.32 -0.36 0.11 116.42 120.42 2wbj h ASP 66 Ca -0.00 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.04 2wbj h ASP 66 Cb 1.17 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.56 2wbj h ASP 66 CO 0.12 0.29 -0.29 0.50 -1.72 0.00 0.00 179.24 178.13 2wbj h LYS 67 N 0.23 -0.21 -0.53 3.56 3.64 -0.49 -0.21 116.57 122.54 2wbj h LYS 67 Ca 0.07 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2wbj h LYS 67 Cb 0.08 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2wbj h LYS 67 CO -0.01 -0.14 0.21 0.00 -2.27 0.00 0.00 179.45 177.24 2wbj h ALA 68 N 0.87 0.67 -0.16 5.00 0.00 -0.76 -2.94 119.26 121.94 2wbj h ALA 68 Ca 0.18 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 2wbj h ALA 68 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wbj h ALA 68 CO -0.53 -0.18 -0.67 -0.91 0.00 0.00 0.00 179.25 176.97 2wbj h ASN 69 N 0.41 0.73 -0.97 0.00 2.35 -0.38 -3.11 115.58 114.60 2wbj h ASN 69 Ca 0.26 -0.44 0.04 0.00 -0.55 0.00 0.00 56.30 55.60 2wbj h ASN 69 Cb 0.26 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.36 2wbj h ASN 69 CO -0.24 1.21 0.63 0.25 -1.65 0.00 0.00 177.43 177.63 2wbj h LEU 70 N 0.46 1.05 -1.51 1.61 5.85 -0.90 -1.80 115.31 120.07 2wbj h LEU 70 Ca -0.02 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2wbj h LEU 70 Cb 1.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2wbj h LEU 70 CO 0.13 0.72 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.37 2wbj h GLU 71 N 1.22 0.00 -0.09 1.25 5.08 -1.46 -0.76 114.58 119.82 2wbj h GLU 71 Ca 0.39 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 2wbj h GLU 71 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2wbj h GLU 71 CO -0.13 0.24 -0.14 0.82 -1.00 0.00 0.00 179.01 178.81 2wbj h ILE 72 N 0.00 1.38 -0.32 3.13 2.04 -1.30 -3.12 117.51 119.32 2wbj h ILE 72 Ca -0.00 -1.37 -0.13 0.00 1.00 0.00 0.00 64.86 64.35 2wbj h ILE 72 Cb 0.53 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2wbj h ILE 72 CO 0.03 0.39 -0.34 0.24 0.00 0.00 0.00 178.15 178.47 2wbj h MET 73 N -0.18 0.72 -0.30 2.37 2.86 -1.07 0.46 114.93 119.80 2wbj h MET 73 Ca 0.01 -0.34 0.04 0.00 -2.06 0.00 0.00 59.70 57.34 2wbj h MET 73 Cb 0.69 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 2wbj h MET 73 CO 0.03 0.96 0.07 1.15 1.06 0.00 0.00 176.91 180.18 2wbj h THR 74 N 0.61 0.88 -0.32 2.22 2.02 -1.26 -0.91 112.91 116.14 2wbj h THR 74 Ca 0.06 -0.06 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 2wbj h THR 74 Cb 0.87 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2wbj h THR 74 CO 0.08 0.03 -0.44 0.50 0.37 0.00 0.00 175.52 176.06 2wbj h LYS 75 N 0.19 0.81 -0.26 6.66 3.64 -1.45 0.63 116.57 126.79 2wbj h LYS 75 Ca 0.14 -0.45 0.04 0.00 -1.27 0.00 0.00 60.65 59.10 2wbj h LYS 75 Cb 0.13 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2wbj h LYS 75 CO -0.17 1.08 0.18 -0.09 -2.27 0.00 0.00 179.45 178.18 2wbj h ARG 76 N 0.65 0.19 -0.32 1.90 9.65 -0.59 -2.17 114.38 123.69 2wbj h ARG 76 Ca 0.04 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2wbj h ARG 76 Cb 1.01 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 2wbj h ARG 76 CO 0.10 0.13 0.00 -1.13 2.80 0.00 0.00 179.97 181.86 2wbj n SER 77 N -4.49 2.52 -3.91 -3.80 3.41 -0.37 -4.93 113.62 102.04 2wbj n SER 77 Ca 0.02 -1.88 -0.25 0.00 -0.26 0.00 0.00 58.87 56.50 2wbj n SER 77 Cb 0.19 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 2wbj n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wbj n ASN 78 N 0.88 -0.71 -2.51 4.04 5.15 -0.82 -3.71 115.26 117.57 2wbj n ASN 78 Ca 0.17 -0.99 -0.19 0.00 -0.60 0.00 0.00 54.58 52.97 2wbj n ASN 78 Cb 0.45 -3.16 0.02 0.00 -0.53 0.00 0.00 39.78 36.56 2wbj n ASN 78 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2wbj n TYR 79 N -4.38 -1.52 -2.48 1.20 4.02 0.20 -4.96 117.16 109.25 2wbj n TYR 79 Ca -0.30 0.35 -0.43 0.00 -0.01 0.00 0.00 57.90 57.52 2wbj n TYR 79 Cb 0.68 -3.95 -0.02 0.00 -0.02 0.00 0.00 39.34 36.03 2wbj n TYR 79 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wbj s THR 80 N -3.05 4.37 0.54 -0.72 -1.32 -1.24 -5.01 115.64 109.20 2wbj s THR 80 Ca 0.20 1.66 -0.17 0.00 -1.21 0.00 0.00 61.69 62.17 2wbj s THR 80 Cb -0.09 -4.07 -0.06 0.00 -1.51 0.00 0.00 72.50 66.77 2wbj s THR 80 CO 0.25 -0.13 1.03 -2.16 -2.21 0.00 0.00 174.62 171.40 2wbj s PRO 81 N 3.32 3.62 0.48 7.08 0.04 -1.26 -5.03 135.00 143.24 2wbj s PRO 81 Ca 0.52 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.53 2wbj s PRO 81 Cb -0.20 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 2wbj s PRO 81 CO 0.13 -0.56 1.27 1.51 0.04 0.00 0.00 177.00 179.39 2wbj n ILE 82 N -1.56 3.09 -3.66 0.56 3.06 -1.26 -5.02 119.36 114.57 2wbj n ILE 82 Ca 0.08 -0.50 -0.37 0.00 -2.50 0.00 0.00 62.75 59.46 2wbj n ILE 82 Cb 0.53 -1.57 -0.10 0.00 0.54 0.00 0.00 39.64 39.04 2wbj n ILE 82 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2wbj s THR 83 N -1.26 5.24 0.20 9.51 -4.23 -1.26 -5.06 115.64 118.78 2wbj s THR 83 Ca 0.66 0.14 -0.32 0.00 -1.18 0.00 0.00 61.69 60.99 2wbj s THR 83 Cb -0.47 -3.46 -0.12 0.00 1.34 0.00 0.00 72.50 69.80 2wbj s THR 83 CO 0.54 0.32 1.71 0.20 -0.54 0.00 0.00 174.62 176.84 2wbj s ASN 84 N 1.32 6.41 -0.29 3.99 0.01 -1.26 -4.82 114.94 120.31 2wbj s ASN 84 Ca 0.07 2.82 -0.07 0.00 -0.71 0.00 0.00 52.86 54.98 2wbj s ASN 84 Cb -0.14 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 38.92 2wbj s ASN 84 CO 0.07 -0.95 0.07 -0.69 -1.51 0.00 0.00 177.10 174.09 2wbj s VAL 85 N 1.29 3.95 0.50 1.60 1.01 -0.49 -4.84 120.40 123.42 2wbj s VAL 85 Ca 0.74 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 2wbj s VAL 85 Cb -0.49 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 2wbj s VAL 85 CO 0.32 0.12 1.32 -2.16 0.00 0.00 0.00 175.10 174.70 2wbj s PRO 86 N 1.50 3.42 0.68 2.72 0.04 -1.26 -1.73 135.00 140.37 2wbj s PRO 86 Ca 0.03 2.16 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 2wbj s PRO 86 Cb -0.17 -2.39 0.16 0.00 0.04 0.00 0.00 34.50 32.14 2wbj s PRO 86 CO 0.02 -0.95 0.92 -0.35 0.04 0.00 0.00 177.00 176.69 2wbj n PRO 87 N -0.70 -0.95 -3.46 0.56 -0.04 -1.26 -4.58 135.00 124.58 2wbj n PRO 87 Ca 0.08 -1.42 -0.23 0.00 -0.04 0.00 0.00 63.50 61.89 2wbj n PRO 87 Cb 0.45 -0.96 -0.12 0.00 -0.04 0.00 0.00 33.50 32.84 2wbj n PRO 87 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2wbj s GLU 88 N -5.01 0.32 -0.12 0.54 2.12 -0.02 -4.94 118.70 111.58 2wbj s GLU 88 Ca 0.52 -0.45 -0.11 0.00 0.36 0.00 0.00 54.97 55.29 2wbj s GLU 88 Cb -0.01 -0.91 -0.05 0.00 0.26 0.00 0.00 34.13 33.42 2wbj s GLU 88 CO 0.37 -1.06 0.23 0.08 -0.54 0.00 0.00 175.26 174.35 2wbj s VAL 89 N 2.07 5.34 -0.07 3.70 1.01 -1.26 -2.77 120.40 128.43 2wbj s VAL 89 Ca 0.11 0.42 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 2wbj s VAL 89 Cb -0.16 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2wbj s VAL 89 CO -0.29 0.52 0.25 0.28 0.00 0.00 0.00 175.10 175.86 2wbj s THR 90 N -0.44 0.02 -0.14 3.92 -1.32 -0.84 -5.01 115.64 111.83 2wbj s THR 90 Ca 0.16 -0.20 0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2wbj s THR 90 Cb -0.13 -0.43 0.01 0.00 -1.51 0.00 0.00 72.50 70.45 2wbj s THR 90 CO 0.05 -0.11 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.47 2wbj s VAL 91 N -0.39 1.84 0.11 5.08 1.01 -1.26 -1.15 120.40 125.64 2wbj s VAL 91 Ca -0.05 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2wbj s VAL 91 Cb -0.03 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2wbj s VAL 91 CO 0.01 0.51 0.05 -1.48 0.00 0.00 0.00 175.10 174.19 2wbj s LEU 92 N 1.04 1.90 0.01 3.92 -0.00 -0.79 -4.99 118.68 119.77 2wbj s LEU 92 Ca -0.03 -1.13 -0.05 0.00 -0.00 0.00 0.00 54.13 52.92 2wbj s LEU 92 Cb -0.15 0.33 -0.05 0.00 -0.00 0.00 0.00 46.19 46.33 2wbj s LEU 92 CO -0.05 -0.71 0.25 0.42 -0.00 0.00 0.00 176.35 176.26 2wbj s THR 93 N -4.01 5.34 0.37 5.48 -4.23 -1.26 -0.30 115.64 117.03 2wbj s THR 93 Ca 0.19 0.03 0.14 0.00 -1.18 0.00 0.00 61.69 60.88 2wbj s THR 93 Cb 0.07 -3.56 0.36 0.00 1.34 0.00 0.00 72.50 70.71 2wbj s THR 93 CO -0.01 0.32 1.78 -1.13 -0.54 0.00 0.00 174.62 175.03 2wbj h ASN 94 N 3.81 0.55 -5.34 3.99 -1.24 -1.33 -3.44 115.58 112.58 2wbj h ASN 94 Ca -0.49 0.09 -0.12 0.00 0.71 0.00 0.00 56.30 56.48 2wbj h ASN 94 Cb 1.19 -0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.12 2wbj h ASN 94 CO 0.68 0.14 -0.34 -0.94 -1.29 0.00 0.00 177.43 175.67 2wbj s SER 95 N -5.33 0.04 0.07 1.15 1.04 -1.26 -5.03 113.70 104.37 2wbj s SER 95 Ca -0.09 -1.02 -0.37 0.00 0.48 0.00 0.00 55.95 54.95 2wbj s SER 95 Cb 0.25 0.46 -0.18 0.00 0.10 0.00 0.00 66.02 66.65 2wbj s SER 95 CO 0.80 -0.95 1.08 -2.65 0.98 0.00 0.00 173.24 172.50 2wbj n PRO 96 N -0.27 0.44 -2.88 4.02 -0.02 -1.26 -4.86 135.00 130.16 2wbj n PRO 96 Ca -0.04 0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 2wbj n PRO 96 Cb 0.63 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 2wbj n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wbj s VAL 97 N -0.04 4.58 0.10 -1.45 1.01 -1.26 -5.04 120.40 118.30 2wbj s VAL 97 Ca 0.83 0.75 0.04 0.00 0.00 0.00 0.00 61.98 63.60 2wbj s VAL 97 Cb -1.09 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 30.90 2wbj s VAL 97 CO 0.54 -0.69 0.09 -1.61 0.00 0.00 0.00 175.10 173.43 2wbj s GLU 98 N 3.47 2.86 -0.07 2.72 2.02 -1.26 -5.06 118.70 123.38 2wbj s GLU 98 Ca 0.34 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 54.30 2wbj s GLU 98 Cb -0.11 -2.70 -0.07 0.00 0.10 0.00 0.00 34.13 31.35 2wbj s GLU 98 CO 0.23 0.55 1.95 -1.17 0.02 0.00 0.00 175.26 176.83 2wbj s LEU 99 N -2.54 4.12 -1.55 1.80 1.98 -1.26 -2.72 118.68 118.51 2wbj s LEU 99 Ca 0.29 2.31 -0.14 0.00 -2.89 0.00 0.00 54.13 53.71 2wbj s LEU 99 Cb -0.12 -3.53 0.09 0.00 0.66 0.00 0.00 46.19 43.30 2wbj s LEU 99 CO 0.22 -1.28 0.93 0.54 -1.89 0.00 0.00 176.35 174.87 2wbj n ARG 100 N 7.80 -5.11 -4.41 1.98 1.74 -0.58 -5.00 116.66 113.08 2wbj n ARG 100 Ca 0.22 0.56 -0.33 0.00 -0.77 0.00 0.00 57.85 57.53 2wbj n ARG 100 Cb 0.43 -5.40 -0.15 0.00 -1.02 0.00 0.00 32.46 26.32 2wbj n ARG 100 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2wbj s GLU 101 N -6.64 3.20 0.35 5.56 2.56 -1.10 -4.94 118.70 117.69 2wbj s GLU 101 Ca 0.63 -0.75 -0.25 0.00 0.00 0.00 0.00 54.97 54.60 2wbj s GLU 101 Cb -0.32 -2.65 -0.13 0.00 2.00 0.00 0.00 34.13 33.02 2wbj s GLU 101 CO 0.85 -0.04 0.77 -2.30 -0.56 0.00 0.00 175.26 173.98 2wbj n PRO 102 N 4.21 0.88 -4.01 4.30 -0.02 -1.26 -4.51 135.00 134.59 2wbj n PRO 102 Ca -0.19 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.47 2wbj n PRO 102 Cb 0.51 -1.65 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 2wbj n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wbj s ASN 103 N -0.80 0.74 -0.07 2.55 3.84 -0.88 -5.02 114.94 115.30 2wbj s ASN 103 Ca 0.62 -1.43 0.01 0.00 0.21 0.00 0.00 52.86 52.27 2wbj s ASN 103 Cb -0.66 0.73 0.02 0.00 -0.55 0.00 0.00 41.25 40.78 2wbj s ASN 103 CO 0.58 -1.44 -0.10 -0.69 -2.79 0.00 0.00 177.10 172.66 2wbj s VAL 104 N -2.73 1.03 0.18 -5.21 1.01 -1.26 -1.56 120.40 111.87 2wbj s VAL 104 Ca 0.26 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 2wbj s VAL 104 Cb -0.02 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 2wbj s VAL 104 CO 0.19 0.34 1.07 -0.76 0.00 0.00 0.00 175.10 175.93 2wbj s LEU 105 N 0.95 4.51 -0.21 3.92 1.43 0.43 -0.81 118.68 128.89 2wbj s LEU 105 Ca -0.09 2.05 -0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2wbj s LEU 105 Cb -0.15 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2wbj s LEU 105 CO 0.00 -0.16 -0.13 -0.63 0.23 0.00 0.00 176.35 175.67 2wbj s ILE 106 N -0.38 2.51 -0.31 -0.59 1.01 0.59 -1.27 121.20 122.76 2wbj s ILE 106 Ca 0.48 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 2wbj s ILE 106 Cb -0.28 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2wbj s ILE 106 CO 0.35 0.36 0.66 0.00 0.00 0.00 0.00 174.94 176.31 2wbj s PHE 108 N 2.70 3.19 -0.25 0.00 5.36 -0.30 -1.19 117.98 127.49 2wbj s PHE 108 Ca 0.27 -1.13 -0.04 0.00 -0.96 0.00 0.00 56.93 55.07 2wbj s PHE 108 Cb -0.15 -2.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.27 2wbj s PHE 108 CO 0.12 -0.63 -0.01 0.42 -1.46 0.00 0.00 175.22 173.66 2wbj s ILE 109 N 1.47 3.39 0.04 3.12 1.01 0.14 -1.99 121.20 128.38 2wbj s ILE 109 Ca 0.01 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2wbj s ILE 109 Cb -0.18 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 2wbj s ILE 109 CO 0.03 0.24 -0.08 -0.62 0.00 0.00 0.00 174.94 174.50 2wbj s ASP 110 N 1.43 0.95 -0.76 3.58 2.15 -1.12 -0.32 116.67 122.59 2wbj s ASP 110 Ca 0.03 -0.50 -0.01 0.00 0.43 0.00 0.00 52.55 52.49 2wbj s ASP 110 Cb -0.16 0.01 -0.02 0.00 -0.30 0.00 0.00 42.92 42.45 2wbj s ASP 110 CO -0.02 -0.15 0.64 0.29 -0.17 0.00 0.00 175.17 175.76 2wbj n LYS 111 N 1.63 -3.33 -4.06 4.34 5.02 -0.91 -0.84 118.16 120.01 2wbj n LYS 111 Ca -0.21 0.56 -0.07 0.00 -2.02 0.00 0.00 58.31 56.57 2wbj n LYS 111 Cb 0.55 -4.59 -0.10 0.00 -0.02 0.00 0.00 35.03 30.87 2wbj n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2wbj s PHE 112 N -3.24 0.46 0.11 2.13 -0.71 -1.15 -4.39 117.98 111.18 2wbj s PHE 112 Ca 0.11 -0.95 -0.16 0.00 -1.04 0.00 0.00 56.93 54.88 2wbj s PHE 112 Cb -0.01 -0.34 0.03 0.00 -1.21 0.00 0.00 43.02 41.49 2wbj s PHE 112 CO 0.48 -0.36 0.40 -0.08 -1.34 0.00 0.00 175.22 174.32 2wbj s THR 113 N -3.51 0.07 1.04 -4.49 -1.32 -0.71 0.21 115.64 106.93 2wbj s THR 113 Ca 0.03 -0.57 -0.12 0.00 -1.21 0.00 0.00 61.69 59.83 2wbj s THR 113 Cb 0.05 -1.12 0.21 0.00 -1.51 0.00 0.00 72.50 70.13 2wbj s THR 113 CO -0.09 -0.31 1.07 -2.16 -2.21 0.00 0.00 174.62 170.93 2wbj s PRO 114 N -3.51 0.07 -1.35 7.08 0.04 -1.26 -1.40 135.00 134.67 2wbj s PRO 114 Ca 0.01 0.99 -0.09 0.00 0.04 0.00 0.00 61.00 61.95 2wbj s PRO 114 Cb 0.01 -1.66 -0.11 0.00 0.04 0.00 0.00 34.50 32.79 2wbj s PRO 114 CO -0.10 -3.10 3.04 -0.35 0.04 0.00 0.00 177.00 176.54 2wbj n PRO 115 N -4.50 3.47 -4.39 0.56 -0.04 -1.26 -4.78 135.00 124.07 2wbj n PRO 115 Ca 0.06 -2.07 -0.27 0.00 -0.04 0.00 0.00 63.50 61.18 2wbj n PRO 115 Cb 0.54 -2.66 -0.17 0.00 -0.04 0.00 0.00 33.50 31.17 2wbj n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wbj s VAL 116 N 1.81 1.27 -0.18 0.52 1.01 -1.26 -5.04 120.40 118.52 2wbj s VAL 116 Ca 0.69 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 2wbj s VAL 116 Cb 0.20 -1.18 0.08 0.00 0.00 0.00 0.00 36.38 35.49 2wbj s VAL 116 CO -0.05 0.39 0.38 0.54 0.00 0.00 0.00 175.10 176.36 2wbj s VAL 117 N 1.02 -0.58 -0.20 2.92 0.11 -1.26 -4.68 120.40 117.73 2wbj s VAL 117 Ca -0.07 0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 59.01 2wbj s VAL 117 Cb -0.15 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2wbj s VAL 117 CO -0.01 0.08 0.46 0.20 -3.33 0.00 0.00 175.10 172.50 2wbj s ASN 118 N 2.55 6.49 -0.01 3.54 0.01 -0.86 -4.98 114.94 121.68 2wbj s ASN 118 Ca -0.01 0.59 0.05 0.00 -0.71 0.00 0.00 52.86 52.77 2wbj s ASN 118 Cb -0.12 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 2wbj s ASN 118 CO -0.12 -0.13 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.50 2wbj s VAL 119 N 1.50 1.19 -0.03 1.60 1.01 -1.26 -0.52 120.40 123.89 2wbj s VAL 119 Ca 0.21 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 2wbj s VAL 119 Cb -0.15 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2wbj s VAL 119 CO 0.09 0.34 0.05 -0.89 0.00 0.00 0.00 175.10 174.68 2wbj s THR 120 N -0.31 -0.08 0.24 3.92 2.01 0.29 -5.02 115.64 116.69 2wbj s THR 120 Ca 0.05 0.28 -0.28 0.00 0.31 0.00 0.00 61.69 62.04 2wbj s THR 120 Cb -0.06 -0.11 -0.09 0.00 0.01 0.00 0.00 72.50 72.25 2wbj s THR 120 CO -0.00 0.12 0.91 0.26 -0.69 0.00 0.00 174.62 175.21 2wbj s TRP 121 N 1.41 3.93 -0.06 4.92 0.52 -1.26 -0.43 118.94 127.96 2wbj s TRP 121 Ca -0.05 1.84 0.04 0.00 0.02 0.00 0.00 56.10 57.95 2wbj s TRP 121 Cb -0.13 -2.93 0.00 0.00 -1.15 0.00 0.00 33.47 29.27 2wbj s TRP 121 CO -0.03 0.43 -0.17 -0.51 0.02 0.00 0.00 176.95 176.69 2wbj s LEU 122 N -1.32 1.88 -0.26 2.99 1.43 -0.74 -1.02 118.68 121.65 2wbj s LEU 122 Ca 0.41 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 2wbj s LEU 122 Cb -0.24 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 2wbj s LEU 122 CO 0.30 0.13 0.03 -0.60 0.23 0.00 0.00 176.35 176.43 2wbj s ARG 123 N 0.24 3.31 -1.38 1.70 3.52 -0.65 -0.73 118.95 124.96 2wbj s ARG 123 Ca -0.09 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 54.78 2wbj s ARG 123 Cb -0.14 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 2wbj s ARG 123 CO 0.04 -0.30 0.29 0.09 -0.81 0.00 0.00 175.30 174.61 2wbj n ASN 124 N 4.84 -4.85 0.00 -2.12 3.02 -0.33 -1.74 115.26 114.08 2wbj n ASN 124 Ca -0.16 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2wbj n ASN 124 Cb 0.50 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 2wbj n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wbj n GLY 125 N -1.14 0.75 3.24 7.41 0.00 -1.26 -5.05 105.19 109.14 2wbj n GLY 125 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2wbj n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbj s LYS 126 N -0.33 3.19 0.28 1.61 1.02 -0.71 -5.04 119.74 119.76 2wbj s LYS 126 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2wbj s LYS 126 Cb 0.00 -2.69 -0.12 0.00 -0.52 0.00 0.00 37.83 34.51 2wbj s LYS 126 CO 0.00 -0.08 1.63 -0.35 -0.92 0.00 0.00 175.35 175.63 2wbj n PRO 127 N 4.34 2.75 -3.53 -1.68 -0.04 -1.26 -1.63 135.00 133.95 2wbj n PRO 127 Ca -0.19 0.98 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 2wbj n PRO 127 Cb 0.51 -2.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.09 2wbj n PRO 127 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wbj s VAL 128 N 0.17 4.71 -0.12 0.52 1.01 -0.19 -4.89 120.40 121.62 2wbj s VAL 128 Ca 0.65 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2wbj s VAL 128 Cb -0.49 -3.74 -0.26 0.00 0.00 0.00 0.00 36.38 31.88 2wbj s VAL 128 CO 0.46 -0.41 0.53 0.74 0.00 0.00 0.00 175.10 176.43 2wbj h THR 129 N 5.88 1.05 -3.09 3.92 2.02 -1.93 -3.42 112.91 117.35 2wbj h THR 129 Ca -0.26 -2.38 -0.66 0.00 0.77 0.00 0.00 66.41 63.89 2wbj h THR 129 Cb 1.10 2.70 -0.11 0.00 -1.74 0.00 0.00 68.15 70.11 2wbj h THR 129 CO 0.75 0.67 -0.57 0.42 0.37 0.00 0.00 175.52 177.15 2wbj s THR 130 N -2.45 4.74 0.00 3.16 -4.23 -1.26 -4.31 115.64 111.29 2wbj s THR 130 Ca -0.21 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2wbj s THR 130 Cb 0.04 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2wbj s THR 130 CO 0.75 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.88 2wbj n GLY 131 N 1.50 0.05 3.84 3.99 0.00 -1.26 -5.08 105.19 108.23 2wbj n GLY 131 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2wbj n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wbj s VAL 132 N -2.01 4.35 -0.01 1.61 -7.23 -1.26 -4.49 120.40 111.35 2wbj s VAL 132 Ca 0.00 0.98 -0.14 0.00 -1.81 0.00 0.00 61.98 61.01 2wbj s VAL 132 Cb 0.00 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.32 2wbj s VAL 132 CO 0.00 -0.78 0.30 -0.55 -0.31 0.00 0.00 175.10 173.76 2wbj s SER 133 N -3.37 -0.17 0.07 4.85 0.15 -0.97 -5.02 113.70 109.23 2wbj s SER 133 Ca 0.59 0.04 -0.11 0.00 0.70 0.00 0.00 55.95 57.17 2wbj s SER 133 Cb -0.12 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 2wbj s SER 133 CO 0.41 -0.46 0.24 -1.83 1.20 0.00 0.00 173.24 172.81 2wbj s GLU 134 N -1.45 0.83 0.52 5.44 -1.05 -1.26 -0.11 118.70 121.61 2wbj s GLU 134 Ca -0.13 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2wbj s GLU 134 Cb -0.05 0.35 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 2wbj s GLU 134 CO 0.03 -0.27 0.74 0.95 0.95 0.00 0.00 175.26 177.67 2wbj s THR 135 N -3.30 3.22 0.59 1.83 -4.23 -0.01 -5.01 115.64 108.73 2wbj s THR 135 Ca 0.00 -0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 59.85 2wbj s THR 135 Cb 0.02 -3.21 0.14 0.00 1.34 0.00 0.00 72.50 70.79 2wbj s THR 135 CO -0.08 -0.15 0.67 1.33 -0.54 0.00 0.00 174.62 175.85 2wbj n VAL 136 N -2.26 0.00 -2.52 2.29 0.24 -1.26 -4.64 118.33 110.17 2wbj n VAL 136 Ca 0.05 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 61.51 2wbj n VAL 136 Cb 0.59 -1.48 -0.02 0.00 -1.47 0.00 0.00 33.84 31.46 2wbj n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2wbj s PHE 137 N -2.36 2.84 0.20 6.34 0.40 -1.26 -4.61 117.98 119.53 2wbj s PHE 137 Ca 0.40 0.93 -0.08 0.00 -0.60 0.00 0.00 56.93 57.57 2wbj s PHE 137 Cb -0.02 -3.98 -0.07 0.00 0.51 0.00 0.00 43.02 39.46 2wbj s PHE 137 CO 0.29 -1.34 0.50 -0.51 0.70 0.00 0.00 175.22 174.85 2wbj s LEU 138 N 4.25 4.20 0.74 -0.37 2.01 0.14 -4.88 118.68 124.77 2wbj s LEU 138 Ca 0.52 0.82 -0.10 0.00 0.01 0.00 0.00 54.13 55.37 2wbj s LEU 138 Cb -0.13 -3.57 0.05 0.00 0.01 0.00 0.00 46.19 42.56 2wbj s LEU 138 CO 0.23 -0.03 1.11 -2.16 1.01 0.00 0.00 176.35 176.50 2wbj s PRO 139 N -2.76 2.35 0.12 1.29 0.04 -1.26 -1.32 135.00 133.46 2wbj s PRO 139 Ca 0.45 0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.68 2wbj s PRO 139 Cb -0.11 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2wbj s PRO 139 CO 0.22 -1.30 -0.10 1.03 0.04 0.00 0.00 177.00 176.90 2wbj s ARG 140 N -5.41 0.96 0.34 4.56 0.52 -0.81 -4.74 118.95 114.38 2wbj s ARG 140 Ca 0.60 -1.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 2wbj s ARG 140 Cb -0.11 -0.54 0.63 0.00 0.52 0.00 0.00 34.95 35.45 2wbj s ARG 140 CO 0.49 0.06 1.90 1.49 0.02 0.00 0.00 175.30 179.26 2wbj h GLU 141 N 3.05 0.55 0.00 3.54 4.57 -1.99 -1.04 114.58 123.25 2wbj h GLU 141 Ca -0.37 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2wbj h GLU 141 Cb 1.19 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2wbj h GLU 141 CO 0.60 0.54 0.00 -0.40 -1.18 0.00 0.00 179.01 178.57 2wbj n ASP 142 N -4.31 0.00 -0.08 1.04 5.68 -1.26 -4.91 116.55 112.71 2wbj n ASP 142 Ca 0.02 -0.58 -0.01 0.00 -0.50 0.00 0.00 54.79 53.71 2wbj n ASP 142 Cb 0.22 -0.12 -0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2wbj n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2wbj n HIS 143 N -1.12 0.00 -2.06 2.11 8.25 -0.40 -5.04 115.22 116.96 2wbj n HIS 143 Ca 0.18 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.39 2wbj n HIS 143 Cb 0.15 -0.52 0.17 0.00 1.12 0.00 0.00 29.99 30.92 2wbj n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2wbj n LEU 144 N -0.12 0.00 -4.76 2.41 4.77 -1.26 -4.83 117.00 113.20 2wbj n LEU 144 Ca -0.01 -1.53 -0.25 0.00 -0.03 0.00 0.00 56.01 54.19 2wbj n LEU 144 Cb 0.08 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.26 2wbj n LEU 144 CO 0.02 -1.26 -0.13 -0.36 -1.33 0.00 0.00 177.39 174.32 2wbj s PHE 145 N -3.46 2.46 -0.20 -1.77 0.40 0.13 -1.92 117.98 113.63 2wbj s PHE 145 Ca 0.68 -0.63 -0.18 0.00 -0.60 0.00 0.00 56.93 56.20 2wbj s PHE 145 Cb -0.02 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.61 2wbj s PHE 145 CO 0.47 0.11 0.52 0.50 0.70 0.00 0.00 175.22 177.51 2wbj s ARG 146 N -3.95 0.60 -0.07 0.44 3.52 -0.44 -2.14 118.95 116.91 2wbj s ARG 146 Ca 0.38 0.74 -0.12 0.00 -0.13 0.00 0.00 55.73 56.60 2wbj s ARG 146 Cb 0.03 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.73 2wbj s ARG 146 CO 0.21 -0.08 0.30 0.21 -0.81 0.00 0.00 175.30 175.14 2wbj s LYS 147 N 0.34 0.48 -0.10 5.12 2.20 0.56 0.25 119.74 128.59 2wbj s LYS 147 Ca -0.01 0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 2wbj s LYS 147 Cb -0.04 0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.50 2wbj s LYS 147 CO -0.00 -0.10 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.62 2wbj s PHE 148 N -0.48 2.62 0.05 4.03 0.08 -1.26 -0.68 117.98 122.34 2wbj s PHE 148 Ca -0.06 -0.92 0.05 0.00 0.12 0.00 0.00 56.93 56.12 2wbj s PHE 148 Cb -0.04 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 2wbj s PHE 148 CO 0.02 -0.35 -0.06 -1.01 -0.10 0.00 0.00 175.22 173.72 2wbj s HIS 149 N 0.30 2.88 0.00 0.36 3.76 -0.33 -0.83 115.29 121.43 2wbj s HIS 149 Ca -0.16 -0.06 0.05 0.00 -0.15 0.00 0.00 55.06 54.73 2wbj s HIS 149 Cb -0.17 -1.55 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 2wbj s HIS 149 CO 0.08 0.42 -0.14 0.71 -0.85 0.00 0.00 174.74 174.95 2wbj s TYR 150 N -1.14 1.26 -0.20 1.40 2.02 0.84 -1.18 117.35 120.36 2wbj s TYR 150 Ca 0.20 -0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.59 2wbj s TYR 150 Cb -0.11 -0.80 0.07 0.00 -0.40 0.00 0.00 41.96 40.72 2wbj s TYR 150 CO 0.12 -0.01 0.09 -1.17 -1.57 0.00 0.00 175.55 173.02 2wbj s LEU 151 N -0.53 0.51 0.42 -1.29 2.96 -0.40 -2.29 118.68 118.06 2wbj s LEU 151 Ca 0.05 -0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 52.90 2wbj s LEU 151 Cb -0.06 -0.31 -0.08 0.00 0.50 0.00 0.00 46.19 46.24 2wbj s LEU 151 CO -0.00 -0.37 1.21 -2.16 -1.32 0.00 0.00 176.35 173.71 2wbj s PRO 152 N 2.09 3.91 0.14 0.98 0.04 -1.26 -0.43 135.00 140.47 2wbj s PRO 152 Ca 0.04 1.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 2wbj s PRO 152 Cb -0.16 -2.61 0.06 0.00 0.04 0.00 0.00 34.50 31.82 2wbj s PRO 152 CO -0.16 -0.46 0.53 -0.59 0.04 0.00 0.00 177.00 176.36 2wbj s PHE 153 N -1.40 -0.43 -0.44 0.56 -0.71 -0.60 -4.91 117.98 110.05 2wbj s PHE 153 Ca 0.59 0.21 -0.16 0.00 -1.04 0.00 0.00 56.93 56.54 2wbj s PHE 153 Cb -0.33 0.45 0.04 0.00 -1.21 0.00 0.00 43.02 41.98 2wbj s PHE 153 CO 0.41 -0.79 0.37 -0.51 -1.34 0.00 0.00 175.22 173.36 2wbj s LEU 154 N -2.70 5.26 0.39 -1.99 1.43 -1.26 -2.07 118.68 117.74 2wbj s LEU 154 Ca 0.01 -1.03 -0.27 0.00 -1.03 0.00 0.00 54.13 51.81 2wbj s LEU 154 Cb -0.00 -2.22 -0.11 0.00 0.03 0.00 0.00 46.19 43.90 2wbj s LEU 154 CO -0.12 -0.57 1.46 -2.65 0.23 0.00 0.00 176.35 174.70 2wbj n PRO 155 N 5.30 2.53 -3.53 1.29 -0.02 -1.26 -4.87 135.00 134.44 2wbj n PRO 155 Ca -0.11 0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 62.18 2wbj n PRO 155 Cb 0.46 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 2wbj n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wbj s SER 156 N -0.23 -0.35 0.61 2.55 1.04 -1.26 -1.53 113.70 114.54 2wbj s SER 156 Ca 0.55 0.12 0.39 0.00 0.48 0.00 0.00 55.95 57.49 2wbj s SER 156 Cb -0.48 0.34 1.91 0.00 0.10 0.00 0.00 66.02 67.90 2wbj s SER 156 CO 0.62 -0.51 2.19 0.71 0.98 0.00 0.00 173.24 177.23 2wbj h THR 157 N 2.17 0.02 -0.04 2.02 1.35 -1.97 -3.24 112.91 113.21 2wbj h THR 157 Ca -0.20 -0.26 -0.23 0.00 -0.55 0.00 0.00 66.41 65.18 2wbj h THR 157 Cb 1.21 1.25 0.01 0.00 -1.73 0.00 0.00 68.15 68.89 2wbj h THR 157 CO 0.30 0.00 -0.90 1.05 -0.25 0.00 0.00 175.52 175.73 2wbj h GLU 158 N 0.00 0.55 -5.64 4.72 4.11 -1.98 -3.46 114.58 112.88 2wbj h GLU 158 Ca -0.00 -0.54 -0.61 0.00 0.07 0.00 0.00 59.36 58.28 2wbj h GLU 158 Cb 0.25 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 2wbj h GLU 158 CO 0.00 1.16 -0.34 -0.51 0.07 0.00 0.00 179.01 179.40 2wbj s ASP 159 N -7.12 6.51 0.12 3.06 1.01 -1.23 -5.03 116.67 114.00 2wbj s ASP 159 Ca -0.08 0.60 0.02 0.00 0.71 0.00 0.00 52.55 53.81 2wbj s ASP 159 Cb 0.09 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 2wbj s ASP 159 CO 0.88 0.23 0.21 0.68 0.21 0.00 0.00 175.17 177.38 2wbj s VAL 160 N -0.25 5.08 0.13 -1.27 -7.23 -1.26 -4.45 120.40 111.14 2wbj s VAL 160 Ca 0.18 -0.71 0.07 0.00 -1.81 0.00 0.00 61.98 59.71 2wbj s VAL 160 Cb -0.14 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 2wbj s VAL 160 CO 0.06 -0.02 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.35 2wbj s TYR 161 N -1.65 1.65 0.06 2.82 1.51 0.28 -1.19 117.35 120.83 2wbj s TYR 161 Ca 0.33 -0.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 2wbj s TYR 161 Cb -0.11 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 2wbj s TYR 161 CO 0.27 0.22 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.31 2wbj s ASP 162 N -2.28 1.20 -0.33 2.29 1.01 0.09 -1.00 116.67 117.65 2wbj s ASP 162 Ca 0.09 -0.60 -0.01 0.00 0.71 0.00 0.00 52.55 52.74 2wbj s ASP 162 Cb -0.07 0.01 0.07 0.00 1.01 0.00 0.00 42.92 43.93 2wbj s ASP 162 CO 0.05 -0.17 0.05 0.00 0.21 0.00 0.00 175.17 175.30 2wbj s ARG 164 N 1.17 4.02 -0.14 0.00 3.52 0.42 -2.25 118.95 125.70 2wbj s ARG 164 Ca -0.00 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 2wbj s ARG 164 Cb -0.20 -3.68 0.01 0.00 -1.56 0.00 0.00 34.95 29.52 2wbj s ARG 164 CO -0.03 -0.45 -0.21 0.08 -0.81 0.00 0.00 175.30 173.88 2wbj s VAL 165 N 2.48 2.17 -0.07 7.11 1.01 -0.52 -0.55 120.40 132.03 2wbj s VAL 165 Ca 0.24 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2wbj s VAL 165 Cb -0.15 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2wbj s VAL 165 CO 0.10 0.54 -0.08 -1.83 0.00 0.00 0.00 175.10 173.83 2wbj s GLU 166 N 0.83 2.77 0.03 2.72 -1.05 0.32 -1.07 118.70 123.26 2wbj s GLU 166 Ca -0.06 -0.57 -0.07 0.00 -0.15 0.00 0.00 54.97 54.11 2wbj s GLU 166 Cb -0.15 -2.57 -0.00 0.00 -0.44 0.00 0.00 34.13 30.96 2wbj s GLU 166 CO -0.02 0.63 0.13 -1.58 0.95 0.00 0.00 175.26 175.37 2wbj s HIS 167 N -0.71 0.13 0.16 4.83 2.46 -1.26 -2.04 115.29 118.86 2wbj s HIS 167 Ca 0.11 -0.37 0.28 0.00 0.47 0.00 0.00 55.06 55.54 2wbj s HIS 167 Cb -0.11 -0.09 1.14 0.00 -0.13 0.00 0.00 32.58 33.38 2wbj s HIS 167 CO 0.01 -0.37 1.91 -1.49 -2.47 0.00 0.00 174.74 172.33 2wbj h TRP 168 N 3.71 0.00 0.00 3.88 6.55 -1.93 -1.95 115.95 126.20 2wbj h TRP 168 Ca -0.32 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.51 2wbj h TRP 168 Cb 1.19 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.49 2wbj h TRP 168 CO 0.54 0.14 -0.07 0.78 -1.05 0.00 0.00 178.44 178.78 2wbj h GLY 169 N 1.91 0.00 -5.59 1.49 0.00 -1.87 -3.44 103.07 95.57 2wbj h GLY 169 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2wbj h GLY 169 CO 0.02 0.00 0.11 1.08 0.00 0.00 0.00 176.54 177.75 2wbj s LEU 170 N -6.33 4.21 0.16 3.11 1.02 -0.74 -4.59 118.68 115.52 2wbj s LEU 170 Ca 0.03 0.97 -0.09 0.00 0.02 0.00 0.00 54.13 55.06 2wbj s LEU 170 Cb 0.08 -2.96 0.00 0.00 0.02 0.00 0.00 46.19 43.33 2wbj s LEU 170 CO 0.60 -0.21 1.49 0.44 0.02 0.00 0.00 176.35 178.68 2wbj h ASP 171 N 7.18 0.92 -3.89 2.29 3.32 -1.85 -3.44 116.42 120.94 2wbj h ASP 171 Ca -0.35 -0.43 -0.69 0.00 0.02 0.00 0.00 57.03 55.58 2wbj h ASP 171 Cb 1.16 -0.26 -0.30 0.00 0.22 0.00 0.00 39.33 40.16 2wbj h ASP 171 CO 0.77 1.21 -0.85 -0.70 -1.72 0.00 0.00 179.24 177.95 2wbj s GLU 172 N -4.31 2.68 -0.10 3.56 2.56 -1.26 -5.10 118.70 116.73 2wbj s GLU 172 Ca -0.10 -0.84 -0.38 0.00 0.00 0.00 0.00 54.97 53.65 2wbj s GLU 172 Cb 0.11 -2.27 -0.15 0.00 2.00 0.00 0.00 34.13 33.82 2wbj s GLU 172 CO 0.87 0.39 1.62 -2.30 -0.56 0.00 0.00 175.26 175.28 2wbj n PRO 173 N 2.95 1.35 -2.73 4.30 -0.02 -1.26 -4.91 135.00 134.69 2wbj n PRO 173 Ca -0.18 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 2wbj n PRO 173 Cb 0.52 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 2wbj n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wbj s LEU 174 N 2.42 4.13 -0.54 2.45 2.96 -0.23 -4.90 118.68 124.96 2wbj s LEU 174 Ca 0.92 1.33 0.02 0.00 -0.22 0.00 0.00 54.13 56.17 2wbj s LEU 174 Cb -0.96 -3.45 0.14 0.00 0.50 0.00 0.00 46.19 42.42 2wbj s LEU 174 CO 0.56 -0.58 0.30 -0.22 -1.32 0.00 0.00 176.35 175.09 2wbj s LEU 175 N 2.85 4.59 -0.14 -0.68 1.98 -1.26 -1.44 118.68 124.57 2wbj s LEU 175 Ca 0.43 -2.94 -0.19 0.00 -2.89 0.00 0.00 54.13 48.53 2wbj s LEU 175 Cb -0.16 -1.70 -0.04 0.00 0.66 0.00 0.00 46.19 44.95 2wbj s LEU 175 CO 0.09 -0.27 0.52 -0.54 -1.89 0.00 0.00 176.35 174.26 2wbj s LYS 176 N -0.19 4.30 -0.13 1.98 -0.14 -0.95 -4.92 119.74 119.69 2wbj s LYS 176 Ca 0.17 0.50 -0.07 0.00 -1.36 0.00 0.00 55.97 55.21 2wbj s LYS 176 Cb -0.24 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.39 2wbj s LYS 176 CO -0.01 0.04 0.14 -1.58 -0.76 0.00 0.00 175.35 173.18 2wbj s HIS 177 N 1.00 3.59 -0.02 3.18 5.65 -1.26 -1.08 115.29 126.35 2wbj s HIS 177 Ca 0.27 0.52 0.02 0.00 0.25 0.00 0.00 55.06 56.11 2wbj s HIS 177 Cb -0.16 -1.96 0.01 0.00 -1.18 0.00 0.00 32.58 29.29 2wbj s HIS 177 CO 0.11 0.70 -0.05 -0.46 -0.65 0.00 0.00 174.74 174.39 2wbj s TRP 178 N -0.91 0.62 0.18 3.88 -0.00 -0.17 -4.93 118.94 117.61 2wbj s TRP 178 Ca 0.14 -0.13 -0.01 0.00 -0.00 0.00 0.00 56.10 56.10 2wbj s TRP 178 Cb -0.12 -0.48 -0.04 0.00 -0.00 0.00 0.00 33.47 32.83 2wbj s TRP 178 CO 0.04 -0.08 0.10 -1.83 -0.00 0.00 0.00 176.95 175.17 2wbj s GLU 179 N 0.31 1.13 0.00 5.86 -1.05 -1.26 -0.56 118.70 123.13 2wbj s GLU 179 Ca -0.04 -1.58 0.09 0.00 -0.15 0.00 0.00 54.97 53.30 2wbj s GLU 179 Cb -0.08 0.17 0.55 0.00 -0.44 0.00 0.00 34.13 34.34 2wbj s GLU 179 CO -0.00 -0.32 1.00 0.34 0.95 0.00 0.00 175.26 177.22