#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbj n GLU 4 N 0.00 0.33 -4.05 5.31 0.28 -1.26 -5.04 120.64 116.21 2wbj n GLU 4 Ca 0.00 0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 56.95 2wbj n GLU 4 Cb 0.00 -1.23 -0.12 0.00 1.43 0.00 0.00 31.44 31.51 2wbj n GLU 4 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2wbj s HIS 5 N -2.26 0.47 -0.05 -1.84 3.76 -1.26 -5.06 115.29 109.05 2wbj s HIS 5 Ca -0.18 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.36 2wbj s HIS 5 Cb 0.05 -0.30 0.03 0.00 1.11 0.00 0.00 32.58 33.47 2wbj s HIS 5 CO 0.30 -0.08 0.03 0.08 -0.85 0.00 0.00 174.74 174.23 2wbj s VAL 6 N -0.94 0.09 -0.18 -0.90 1.01 -1.26 -5.05 120.40 113.18 2wbj s VAL 6 Ca -0.07 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 2wbj s VAL 6 Cb -0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 2wbj s VAL 6 CO -0.00 0.21 -0.02 -0.63 0.00 0.00 0.00 175.10 174.66 2wbj s ILE 7 N 2.02 3.88 -0.14 2.22 1.01 -1.26 -1.55 121.20 127.37 2wbj s ILE 7 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.36 2wbj s ILE 7 Cb -0.12 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.64 2wbj s ILE 7 CO -0.04 0.46 -0.18 -0.63 0.00 0.00 0.00 174.94 174.54 2wbj s ILE 8 N 0.75 1.82 -0.44 2.92 1.01 0.03 -4.96 121.20 122.34 2wbj s ILE 8 Ca -0.01 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 2wbj s ILE 8 Cb -0.14 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.70 2wbj s ILE 8 CO 0.02 0.50 1.34 -1.58 0.00 0.00 0.00 174.94 175.22 2wbj s GLN 9 N 1.08 3.59 -0.13 2.79 0.74 -1.26 -0.16 119.66 126.31 2wbj s GLN 9 Ca -0.02 0.80 0.02 0.00 0.05 0.00 0.00 55.36 56.21 2wbj s GLN 9 Cb -0.14 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 29.96 2wbj s GLN 9 CO -0.06 -1.55 -0.19 0.00 -0.55 0.00 0.00 175.29 172.94 2wbj s ALA 10 N 5.23 2.35 0.08 1.58 0.00 0.92 -4.99 121.76 126.94 2wbj s ALA 10 Ca 0.57 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2wbj s ALA 10 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2wbj s ALA 10 CO 0.32 0.09 -0.05 -1.83 0.00 0.00 0.00 175.76 174.28 2wbj s GLU 11 N 0.64 0.74 0.07 0.00 -1.05 -1.26 -0.98 118.70 116.86 2wbj s GLU 11 Ca -0.10 -1.26 -0.08 0.00 -0.15 0.00 0.00 54.97 53.38 2wbj s GLU 11 Cb -0.16 -0.07 -0.01 0.00 -0.44 0.00 0.00 34.13 33.45 2wbj s GLU 11 CO 0.02 -0.04 0.16 -0.59 0.95 0.00 0.00 175.26 175.76 2wbj s PHE 12 N -3.58 0.18 -0.01 4.83 -0.12 -1.05 -4.97 117.98 113.25 2wbj s PHE 12 Ca 0.09 -0.58 0.04 0.00 -0.05 0.00 0.00 56.93 56.43 2wbj s PHE 12 Cb 0.05 -0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 2wbj s PHE 12 CO -0.06 -0.50 -0.13 -0.47 -0.05 0.00 0.00 175.22 174.01 2wbj s TYR 13 N -3.59 1.19 -0.07 3.49 5.04 -1.26 -1.53 117.35 120.63 2wbj s TYR 13 Ca 0.03 -0.24 0.02 0.00 -2.44 0.00 0.00 57.07 54.44 2wbj s TYR 13 Cb 0.04 -0.78 0.02 0.00 0.35 0.00 0.00 41.96 41.59 2wbj s TYR 13 CO -0.09 -0.04 -0.11 -1.17 -1.34 0.00 0.00 175.55 172.80 2wbj s LEU 14 N -0.22 1.57 0.20 6.97 2.96 -0.93 -5.01 118.68 124.22 2wbj s LEU 14 Ca 0.03 -0.27 0.09 0.00 -0.22 0.00 0.00 54.13 53.76 2wbj s LEU 14 Cb -0.06 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 2wbj s LEU 14 CO -0.00 0.01 -0.04 0.20 -1.32 0.00 0.00 176.35 175.20 2wbj s ASN 15 N 0.78 4.49 -0.02 3.68 0.01 -1.26 -1.15 114.94 121.47 2wbj s ASN 15 Ca -0.13 -0.54 0.04 0.00 -0.71 0.00 0.00 52.86 51.53 2wbj s ASN 15 Cb -0.15 -0.85 0.16 0.00 0.41 0.00 0.00 41.25 40.82 2wbj s ASN 15 CO 0.02 0.07 1.01 -0.81 -1.51 0.00 0.00 177.10 175.89 2wbj n PRO 16 N -0.25 1.54 0.28 -0.60 -0.04 -1.26 -4.87 135.00 129.80 2wbj n PRO 16 Ca -0.09 -0.63 0.16 0.00 -0.04 0.00 0.00 63.50 62.90 2wbj n PRO 16 Cb 0.56 -1.30 0.79 0.00 -0.04 0.00 0.00 33.50 33.51 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 0.95 0.00 -6.24 3.54 5.19 -2.02 -3.47 116.42 114.36 2wbj h ASP 17 Ca 0.00 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 55.97 2wbj h ASP 17 Cb 0.42 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.00 2wbj h ASP 17 CO 0.04 0.06 -0.93 0.00 -3.12 0.00 0.00 179.24 175.29 2wbj n GLN 18 N -3.30 -1.51 -4.10 3.56 6.02 -0.30 -5.01 117.38 112.75 2wbj n GLN 18 Ca -0.01 0.46 -0.26 0.00 -0.01 0.00 0.00 57.00 57.18 2wbj n GLN 18 Cb 0.25 -4.19 -0.17 0.00 1.02 0.00 0.00 30.24 27.15 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 -3.57 1.96 0.22 1.08 1.04 -1.12 -4.99 113.70 108.31 2wbj s SER 19 Ca 0.42 -0.28 0.11 0.00 0.48 0.00 0.00 55.95 56.68 2wbj s SER 19 Cb -0.15 -0.79 -0.05 0.00 0.10 0.00 0.00 66.02 65.13 2wbj s SER 19 CO 0.86 -0.08 -0.19 -0.83 0.98 0.00 0.00 173.24 173.99 2wbj s GLY 20 N 1.38 1.75 0.14 7.32 0.00 -1.26 -2.19 107.32 114.47 2wbj s GLY 20 Ca -0.01 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.08 2wbj s GLY 20 CO -0.04 -1.71 -0.10 1.85 0.00 0.00 0.00 173.10 173.10 2wbj s GLU 21 N -2.98 1.03 -0.20 2.90 2.12 -0.58 -4.74 118.70 116.26 2wbj s GLU 21 Ca 0.25 -1.43 -0.08 0.00 0.36 0.00 0.00 54.97 54.07 2wbj s GLU 21 Cb -0.07 -0.59 0.09 0.00 0.26 0.00 0.00 34.13 33.82 2wbj s GLU 21 CO 0.13 0.07 0.44 0.12 -0.54 0.00 0.00 175.26 175.48 2wbj s PHE 22 N -3.32 -0.80 0.03 5.30 5.36 -1.26 -2.53 117.98 120.76 2wbj s PHE 22 Ca 0.16 1.55 -0.16 0.00 -0.96 0.00 0.00 56.93 57.52 2wbj s PHE 22 Cb 0.03 0.34 0.03 0.00 -0.34 0.00 0.00 43.02 43.07 2wbj s PHE 22 CO 0.00 -0.47 0.35 0.00 -1.46 0.00 0.00 175.22 173.64 2wbj s MET 23 N 2.35 0.82 -0.12 10.12 0.23 -0.15 -2.03 119.30 130.52 2wbj s MET 23 Ca -0.04 -0.37 -0.05 0.00 -1.03 0.00 0.00 55.69 54.20 2wbj s MET 23 Cb -0.11 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 2wbj s MET 23 CO -0.13 -0.26 0.06 -0.06 -2.03 0.00 0.00 175.02 172.59 2wbj s PHE 24 N -2.23 3.33 -0.06 3.16 0.40 -0.93 -0.05 117.98 121.58 2wbj s PHE 24 Ca -0.07 0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.58 2wbj s PHE 24 Cb -0.02 -1.91 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 2wbj s PHE 24 CO -0.01 0.48 -0.22 0.34 0.70 0.00 0.00 175.22 176.52 2wbj s ASP 25 N -0.64 2.71 -0.22 1.36 -1.08 0.78 -0.98 116.67 118.60 2wbj s ASP 25 Ca 0.11 -0.46 0.02 0.00 -0.52 0.00 0.00 52.55 51.70 2wbj s ASP 25 Cb -0.12 -0.89 0.04 0.00 -1.46 0.00 0.00 42.92 40.49 2wbj s ASP 25 CO 0.02 0.18 -0.15 0.12 0.52 0.00 0.00 175.17 175.87 2wbj s PHE 26 N 0.06 3.01 -1.20 -5.34 5.36 0.17 -0.79 117.98 119.25 2wbj s PHE 26 Ca -0.08 -1.94 -0.11 0.00 -0.96 0.00 0.00 56.93 53.85 2wbj s PHE 26 Cb -0.14 -1.93 0.10 0.00 -0.34 0.00 0.00 43.02 40.70 2wbj s PHE 26 CO 0.04 -0.83 0.43 -0.25 -1.46 0.00 0.00 175.22 173.15 2wbj n ASP 27 N 4.54 -2.84 0.00 6.13 8.00 -0.59 -0.73 116.55 131.05 2wbj n ASP 27 Ca -0.18 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 54.89 2wbj n ASP 27 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 41.12 39.16 2wbj n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wbj n GLY 28 N -1.03 0.79 3.25 0.44 0.00 -1.26 -5.07 105.19 102.31 2wbj n GLY 28 Ca 0.02 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.04 2.68 0.03 1.61 1.01 0.09 -5.09 116.67 114.96 2wbj s ASP 29 Ca 0.00 -0.41 -0.30 0.00 0.71 0.00 0.00 52.55 52.54 2wbj s ASP 29 Cb 0.00 -0.32 -0.06 0.00 1.01 0.00 0.00 42.92 43.55 2wbj s ASP 29 CO 0.00 0.28 1.44 -0.70 0.21 0.00 0.00 175.17 176.40 2wbj s GLU 30 N -0.52 4.27 -0.11 8.23 2.12 -1.26 0.41 118.70 131.84 2wbj s GLU 30 Ca 0.08 2.04 -0.17 0.00 0.36 0.00 0.00 54.97 57.28 2wbj s GLU 30 Cb -0.09 -3.53 -0.15 0.00 0.26 0.00 0.00 34.13 30.62 2wbj s GLU 30 CO -0.01 -0.58 0.49 0.82 -0.54 0.00 0.00 175.26 175.44 2wbj h ILE 31 N 4.80 1.01 -3.12 -3.70 2.04 -1.42 -3.42 117.51 113.72 2wbj h ILE 31 Ca -0.39 -1.70 0.04 0.00 1.00 0.00 0.00 64.86 63.81 2wbj h ILE 31 Cb 1.19 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 2wbj h ILE 31 CO 0.90 0.34 0.17 0.72 0.00 0.00 0.00 178.15 180.28 2wbj s PHE 32 N -2.10 -0.07 0.10 1.37 -0.71 -1.24 -0.88 117.98 114.44 2wbj s PHE 32 Ca -0.11 -0.38 -0.06 0.00 -1.04 0.00 0.00 56.93 55.34 2wbj s PHE 32 Cb -0.01 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.40 2wbj s PHE 32 CO 0.40 -1.22 0.13 -3.38 -1.34 0.00 0.00 175.22 169.82 2wbj s HIS 33 N -3.84 0.41 -0.14 3.49 -3.43 -0.44 -2.19 115.29 109.14 2wbj s HIS 33 Ca 0.13 -0.85 -0.04 0.00 -0.80 0.00 0.00 55.06 53.51 2wbj s HIS 33 Cb -0.05 -0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 30.86 2wbj s HIS 33 CO 0.08 -0.54 0.00 0.14 -2.00 0.00 0.00 174.74 172.42 2wbj s VAL 34 N -3.93 4.27 -0.34 -5.38 -7.23 -0.86 0.26 120.40 107.20 2wbj s VAL 34 Ca 0.11 -0.23 -0.23 0.00 -1.81 0.00 0.00 61.98 59.82 2wbj s VAL 34 Cb 0.06 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.13 2wbj s VAL 34 CO -0.06 0.52 0.78 -0.62 -0.31 0.00 0.00 175.10 175.40 2wbj s ASP 35 N 0.01 6.60 0.18 4.85 2.15 -0.58 -4.37 116.67 125.50 2wbj s ASP 35 Ca 0.03 0.50 -0.13 0.00 0.43 0.00 0.00 52.55 53.37 2wbj s ASP 35 Cb -0.13 -2.40 0.13 0.00 -0.30 0.00 0.00 42.92 40.22 2wbj s ASP 35 CO 0.02 -0.67 1.78 0.24 -0.17 0.00 0.00 175.17 176.37 2wbj h MET 36 N 8.30 0.45 0.51 4.34 2.86 -1.88 0.29 114.93 129.80 2wbj h MET 36 Ca -0.25 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2wbj h MET 36 Cb 1.10 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2wbj h MET 36 CO 0.89 0.30 -0.39 0.00 1.06 0.00 0.00 176.91 178.77 2wbj h ALA 37 N 1.27 -0.92 0.00 6.32 0.00 -1.95 -2.94 119.26 121.03 2wbj h ALA 37 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wbj h ALA 37 Cb 0.14 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2wbj h ALA 37 CO -0.16 -1.04 -0.02 1.63 0.00 0.00 0.00 179.25 179.65 2wbj n LYS 38 N -5.51 0.16 -3.71 0.00 5.02 -1.18 -4.94 118.16 108.00 2wbj n LYS 38 Ca -0.12 0.13 -0.23 0.00 -2.02 0.00 0.00 58.31 56.07 2wbj n LYS 38 Cb 0.40 -1.68 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.96 -5.60 -4.00 1.97 5.02 0.10 -5.01 118.16 108.68 2wbj n LYS 39 Ca 0.06 0.67 -0.10 0.00 -2.02 0.00 0.00 58.31 56.92 2wbj n LYS 39 Cb 0.40 -5.42 -0.11 0.00 -0.02 0.00 0.00 35.03 29.88 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 0.35 -0.15 1.97 -1.05 -1.16 -4.84 118.70 107.73 2wbj s GLU 40 Ca 0.23 -0.65 -0.16 0.00 -0.15 0.00 0.00 54.97 54.23 2wbj s GLU 40 Cb -0.11 0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.58 2wbj s GLU 40 CO 0.80 -0.03 0.40 -0.08 0.95 0.00 0.00 175.26 177.30 2wbj s THR 41 N -1.50 5.23 -0.23 1.83 -1.32 -1.26 -1.52 115.64 116.86 2wbj s THR 41 Ca -0.14 0.78 0.01 0.00 -1.21 0.00 0.00 61.69 61.12 2wbj s THR 41 Cb -0.10 -3.74 0.04 0.00 -1.51 0.00 0.00 72.50 67.19 2wbj s THR 41 CO -0.01 0.33 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.92 2wbj s VAL 42 N 0.73 2.36 0.12 5.08 1.01 0.14 -4.98 120.40 124.86 2wbj s VAL 42 Ca 0.22 -1.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 2wbj s VAL 42 Cb -0.14 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 2wbj s VAL 42 CO 0.08 0.20 0.91 0.26 0.00 0.00 0.00 175.10 176.55 2wbj s TRP 43 N 1.22 3.83 0.28 5.22 0.52 -1.26 -1.33 118.94 127.42 2wbj s TRP 43 Ca -0.02 1.75 -0.02 0.00 0.02 0.00 0.00 56.10 57.82 2wbj s TRP 43 Cb -0.17 -2.99 0.42 0.00 -1.15 0.00 0.00 33.47 29.59 2wbj s TRP 43 CO -0.07 0.27 1.93 -0.09 0.02 0.00 0.00 176.95 179.01 2wbj h ARG 44 N 5.34 1.13 -5.16 4.98 9.65 -1.26 -3.35 114.38 125.71 2wbj h ARG 44 Ca -0.44 -0.07 -0.67 0.00 -1.10 0.00 0.00 59.98 57.71 2wbj h ARG 44 Cb 1.21 -0.25 -0.31 0.00 -1.39 0.00 0.00 29.97 29.23 2wbj h ARG 44 CO 0.71 0.75 -0.80 -0.51 2.80 0.00 0.00 179.97 182.91 2wbj s LEU 45 N -10.03 2.46 0.18 3.80 1.43 -1.26 -5.01 118.68 110.25 2wbj s LEU 45 Ca -0.12 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.45 2wbj s LEU 45 Cb 0.19 -1.57 0.32 0.00 0.03 0.00 0.00 46.19 45.17 2wbj s LEU 45 CO 0.80 0.06 0.99 -0.62 0.23 0.00 0.00 176.35 177.82 2wbj n GLU 46 N 4.20 -0.06 0.30 1.70 4.71 -1.26 -0.55 120.64 129.68 2wbj n GLU 46 Ca -0.19 0.99 0.20 0.00 -0.01 0.00 0.00 57.16 58.14 2wbj n GLU 46 Cb 0.51 -1.49 0.93 0.00 -1.01 0.00 0.00 31.44 30.38 2wbj n GLU 46 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 2wbj h GLU 47 N 0.00 0.00 -0.79 3.49 4.11 -1.95 -2.42 114.58 117.02 2wbj h GLU 47 Ca 0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.73 2wbj h GLU 47 Cb 0.52 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2wbj h GLU 47 CO -0.65 0.00 0.42 0.74 0.07 0.00 0.00 179.01 179.59 2wbj h PHE 48 N 0.00 1.11 0.00 2.06 0.04 -1.22 -3.13 116.94 115.80 2wbj h PHE 48 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2wbj h PHE 48 Cb 0.25 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.05 2wbj h PHE 48 CO 0.00 0.79 0.00 0.41 -0.60 0.00 0.00 178.31 178.91 2wbj n GLY 49 N -1.06 -0.99 0.03 -1.45 0.00 -0.91 -1.36 105.19 99.45 2wbj n GLY 49 Ca 0.07 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.35 2wbj n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbj n ARG 50 N -2.12 0.20 -0.01 1.61 1.74 -1.18 -3.95 116.66 112.95 2wbj n ARG 50 Ca 0.00 -0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.04 2wbj n ARG 50 Cb 0.11 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.35 0.00 -3.90 -1.55 3.72 -0.46 -5.07 117.46 108.85 2wbj n PHE 51 Ca 0.09 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.40 2wbj n PHE 51 Cb 0.32 -0.14 -0.08 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 -2.29 -0.12 0.09 4.37 0.00 -1.17 -5.17 121.76 117.47 2wbj s ALA 52 Ca -0.02 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.40 2wbj s ALA 52 Cb 0.03 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2wbj s ALA 52 CO 0.20 -0.42 -0.19 -1.12 0.00 0.00 0.00 175.76 174.23 2wbj s SER 53 N -2.55 2.33 -0.11 0.00 0.01 -1.26 -4.60 113.70 107.51 2wbj s SER 53 Ca 0.01 -0.66 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 2wbj s SER 53 Cb 0.03 -0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.19 2wbj s SER 53 CO -0.08 0.03 0.26 0.12 0.41 0.00 0.00 173.24 173.98 2wbj s PHE 54 N -1.18 -0.36 -0.28 2.43 2.19 -1.26 -5.14 117.98 114.39 2wbj s PHE 54 Ca 0.04 0.84 -0.23 0.00 0.33 0.00 0.00 56.93 57.92 2wbj s PHE 54 Cb -0.10 0.06 -0.01 0.00 -1.31 0.00 0.00 43.02 41.67 2wbj s PHE 54 CO 0.04 -0.25 0.75 -1.21 1.83 0.00 0.00 175.22 176.38 2wbj s GLU 55 N 1.34 4.03 0.50 10.12 8.01 -1.26 -4.77 118.70 136.67 2wbj s GLU 55 Ca -0.09 0.63 0.18 0.00 0.01 0.00 0.00 54.97 55.70 2wbj s GLU 55 Cb -0.10 -3.69 1.23 0.00 -4.31 0.00 0.00 34.13 27.25 2wbj s GLU 55 CO -0.09 -0.58 2.06 0.00 0.01 0.00 0.00 175.26 176.65 2wbj h ALA 56 N 7.98 2.14 0.00 5.21 0.00 -1.94 -2.14 119.26 130.52 2wbj h ALA 56 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wbj h ALA 56 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2wbj h ALA 56 CO 0.85 -0.22 0.00 1.96 0.00 0.00 0.00 179.25 181.84 2wbj h GLN 57 N 0.13 0.00 0.03 0.00 7.50 -1.92 -1.80 115.11 119.05 2wbj h GLN 57 Ca 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.30 2wbj h GLN 57 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.97 2wbj h GLN 57 CO -0.02 0.00 -0.01 0.78 -1.50 0.00 0.00 178.83 178.08 2wbj h GLY 58 N 2.49 -0.04 1.17 3.46 0.00 -1.81 -2.81 103.07 105.54 2wbj h GLY 58 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2wbj h GLY 58 CO 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 176.54 176.74 2wbj h ALA 59 N 0.44 1.09 -0.85 3.60 0.00 -1.51 -1.86 119.26 120.17 2wbj h ALA 59 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2wbj h ALA 59 Cb 0.48 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2wbj h ALA 59 CO 0.01 0.62 0.54 -0.07 0.00 0.00 0.00 179.25 180.35 2wbj h LEU 60 N 1.00 0.89 -0.99 0.00 3.38 -1.43 -0.90 115.31 117.27 2wbj h LEU 60 Ca 0.22 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2wbj h LEU 60 Cb 0.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2wbj h LEU 60 CO -0.01 0.61 0.17 0.00 0.09 0.00 0.00 178.44 179.30 2wbj h ALA 61 N 1.36 1.18 -0.48 1.53 0.00 -1.19 -2.61 119.26 119.06 2wbj h ALA 61 Ca 0.35 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2wbj h ALA 61 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2wbj h ALA 61 CO -0.13 0.57 -0.10 -0.97 0.00 0.00 0.00 179.25 178.62 2wbj h ASN 62 N 0.87 0.88 0.02 0.00 -1.24 -0.59 -3.16 115.58 112.35 2wbj h ASN 62 Ca 0.19 -0.27 -0.12 0.00 0.71 0.00 0.00 56.30 56.81 2wbj h ASN 62 Cb 0.28 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 2wbj h ASN 62 CO -0.01 1.00 -0.40 0.40 -1.29 0.00 0.00 177.43 177.13 2wbj h ILE 63 N 0.79 1.30 -0.73 2.57 1.08 -0.96 -2.04 117.51 119.53 2wbj h ILE 63 Ca 0.13 -1.55 0.07 0.00 -0.39 0.00 0.00 64.86 63.13 2wbj h ILE 63 Cb 0.62 1.57 -0.06 0.00 -3.07 0.00 0.00 36.82 35.88 2wbj h ILE 63 CO 0.04 0.48 0.40 0.00 -0.69 0.00 0.00 178.15 178.38 2wbj h ALA 64 N 1.17 0.99 -0.51 1.87 0.00 -1.44 0.32 119.26 121.66 2wbj h ALA 64 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2wbj h ALA 64 Cb 0.87 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2wbj h ALA 64 CO 0.07 0.06 -0.12 0.28 0.00 0.00 0.00 179.25 179.54 2wbj h VAL 65 N 0.71 1.27 -0.27 0.00 2.07 -1.49 -1.41 116.25 117.14 2wbj h VAL 65 Ca 0.34 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2wbj h VAL 65 Cb 0.26 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2wbj h VAL 65 CO -0.21 0.44 0.10 0.44 0.02 0.00 0.00 177.57 178.36 2wbj h ASP 66 N 0.86 0.37 -0.34 0.57 3.32 -0.58 0.17 116.42 120.80 2wbj h ASP 66 Ca 0.13 -0.18 0.07 0.00 0.02 0.00 0.00 57.03 57.08 2wbj h ASP 66 Cb 0.67 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.04 2wbj h ASP 66 CO 0.05 0.45 -0.27 0.50 -1.72 0.00 0.00 179.24 178.25 2wbj h LYS 67 N 0.27 -0.22 -0.52 3.56 3.64 -0.34 -0.04 116.57 122.92 2wbj h LYS 67 Ca 0.09 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2wbj h LYS 67 Cb 0.20 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 2wbj h LYS 67 CO -0.01 -0.15 0.22 0.00 -2.27 0.00 0.00 179.45 177.24 2wbj h ALA 68 N 0.85 0.66 -0.30 5.00 0.00 -0.76 -2.97 119.26 121.74 2wbj h ALA 68 Ca 0.17 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2wbj h ALA 68 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wbj h ALA 68 CO -0.47 -0.17 -0.46 -0.91 0.00 0.00 0.00 179.25 177.25 2wbj h ASN 69 N 0.42 0.84 -0.90 0.00 2.35 -0.32 -3.09 115.58 114.88 2wbj h ASN 69 Ca 0.25 -0.41 0.05 0.00 -0.55 0.00 0.00 56.30 55.63 2wbj h ASN 69 Cb 0.24 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 2wbj h ASN 69 CO -0.23 1.17 0.58 0.25 -1.65 0.00 0.00 177.43 177.55 2wbj h LEU 70 N 0.62 0.94 -1.47 1.61 5.85 -0.87 -2.05 115.31 119.94 2wbj h LEU 70 Ca 0.04 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2wbj h LEU 70 Cb 1.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2wbj h LEU 70 CO 0.10 0.63 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.26 2wbj h GLU 71 N 1.09 0.00 -0.15 1.25 5.08 -1.45 -0.65 114.58 119.75 2wbj h GLU 71 Ca 0.37 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 2wbj h GLU 71 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wbj h GLU 71 CO -0.14 0.23 -0.16 0.82 -1.00 0.00 0.00 179.01 178.76 2wbj h ILE 72 N 0.00 1.35 -0.12 3.13 1.08 -1.32 -3.15 117.51 118.48 2wbj h ILE 72 Ca -0.00 -1.33 -0.16 0.00 -0.39 0.00 0.00 64.86 62.98 2wbj h ILE 72 Cb 0.57 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 2wbj h ILE 72 CO 0.03 0.39 -0.62 0.24 -0.69 0.00 0.00 178.15 177.50 2wbj h MET 73 N 0.01 0.42 -0.36 2.37 2.86 -1.02 0.11 114.93 119.32 2wbj h MET 73 Ca 0.02 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.40 2wbj h MET 73 Cb 0.70 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 2wbj h MET 73 CO 0.04 0.91 0.18 1.79 1.06 0.00 0.00 176.91 180.89 2wbj h THR 74 N 0.31 0.98 -0.33 2.22 1.35 -1.25 -0.75 112.91 115.44 2wbj h THR 74 Ca -0.01 -0.13 -0.15 0.00 -0.55 0.00 0.00 66.41 65.57 2wbj h THR 74 Cb 1.16 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 2wbj h THR 74 CO 0.11 0.07 -0.40 0.50 -0.25 0.00 0.00 175.52 175.55 2wbj h LYS 75 N 0.37 0.79 -0.09 4.72 3.64 -1.48 0.14 116.57 124.67 2wbj h LYS 75 Ca 0.15 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2wbj h LYS 75 Cb 0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2wbj h LYS 75 CO -0.11 1.05 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.95 2wbj h ARG 76 N 0.65 0.13 -0.26 1.90 9.65 -0.72 -2.44 114.38 123.28 2wbj h ARG 76 Ca 0.05 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2wbj h ARG 76 Cb 0.96 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 2wbj h ARG 76 CO 0.09 0.21 0.00 -1.13 2.80 0.00 0.00 179.97 181.94 2wbj n SER 77 N -4.38 1.92 -4.00 -3.80 3.41 -0.31 -4.92 113.62 101.54 2wbj n SER 77 Ca -0.01 -1.83 -0.26 0.00 -0.26 0.00 0.00 58.87 56.51 2wbj n SER 77 Cb 0.19 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.50 -0.13 -2.39 4.04 2.85 -0.92 -3.68 115.26 115.54 2wbj n ASN 78 Ca 0.15 -1.04 -0.18 0.00 -0.11 0.00 0.00 54.58 53.41 2wbj n ASN 78 Cb 0.35 -2.88 0.03 0.00 1.24 0.00 0.00 39.78 38.52 2wbj n ASN 78 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2wbj n TYR 79 N -4.42 -1.51 -2.49 1.20 4.02 0.49 -4.96 117.16 109.48 2wbj n TYR 79 Ca -0.32 0.39 -0.43 0.00 -0.01 0.00 0.00 57.90 57.54 2wbj n TYR 79 Cb 0.69 -3.75 -0.02 0.00 -0.02 0.00 0.00 39.34 36.24 2wbj n TYR 79 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2wbj s THR 80 N -3.03 4.34 0.59 -0.72 -4.23 -1.24 -5.01 115.64 106.33 2wbj s THR 80 Ca 0.23 1.58 -0.16 0.00 -1.18 0.00 0.00 61.69 62.15 2wbj s THR 80 Cb -0.10 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 2wbj s THR 80 CO 0.28 -0.30 1.06 -2.16 -0.54 0.00 0.00 174.62 172.96 2wbj s PRO 81 N 3.68 3.32 0.50 3.99 0.04 -1.26 -5.03 135.00 140.24 2wbj s PRO 81 Ca 0.52 1.22 -0.24 0.00 0.04 0.00 0.00 61.00 62.54 2wbj s PRO 81 Cb -0.18 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 2wbj s PRO 81 CO 0.16 -0.82 1.40 1.51 0.04 0.00 0.00 177.00 179.29 2wbj n ILE 82 N -2.01 3.30 -3.48 0.56 3.06 -1.26 -5.02 119.36 114.52 2wbj n ILE 82 Ca 0.09 -0.50 -0.38 0.00 -2.50 0.00 0.00 62.75 59.46 2wbj n ILE 82 Cb 0.53 -1.75 -0.09 0.00 0.54 0.00 0.00 39.64 38.86 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 -1.24 5.24 0.16 9.51 -4.23 -1.26 -5.05 115.64 118.78 2wbj s THR 83 Ca 0.66 0.44 -0.32 0.00 -1.18 0.00 0.00 61.69 61.30 2wbj s THR 83 Cb -0.43 -3.63 -0.11 0.00 1.34 0.00 0.00 72.50 69.67 2wbj s THR 83 CO 0.53 0.23 1.72 0.20 -0.54 0.00 0.00 174.62 176.77 2wbj s ASN 84 N 1.42 6.44 -0.30 3.99 0.01 -1.26 -4.81 114.94 120.43 2wbj s ASN 84 Ca 0.13 2.76 -0.06 0.00 -0.71 0.00 0.00 52.86 54.98 2wbj s ASN 84 Cb -0.15 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 38.94 2wbj s ASN 84 CO 0.09 -0.95 0.08 -0.69 -1.51 0.00 0.00 177.10 174.11 2wbj s VAL 85 N 1.76 3.86 0.43 1.60 1.01 -0.47 -4.84 120.40 123.73 2wbj s VAL 85 Ca 0.76 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 2wbj s VAL 85 Cb -0.47 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 2wbj s VAL 85 CO 0.33 0.03 1.32 -2.16 0.00 0.00 0.00 175.10 174.63 2wbj s PRO 86 N 1.47 3.84 1.03 2.72 0.04 -1.26 -1.77 135.00 141.07 2wbj s PRO 86 Ca 0.01 2.19 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 2wbj s PRO 86 Cb -0.18 -2.68 0.22 0.00 0.04 0.00 0.00 34.50 31.90 2wbj s PRO 86 CO 0.02 -0.61 1.26 -1.25 0.04 0.00 0.00 177.00 176.46 2wbj s PRO 87 N -2.35 0.11 -0.29 0.56 0.04 -1.26 -4.61 135.00 127.19 2wbj s PRO 87 Ca 0.59 -0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.31 2wbj s PRO 87 Cb -0.39 -1.77 0.10 0.00 0.04 0.00 0.00 34.50 32.48 2wbj s PRO 87 CO 0.50 -2.79 0.12 -2.00 0.04 0.00 0.00 177.00 172.86 2wbj s GLU 88 N -5.74 0.38 -0.08 4.56 2.12 0.59 -4.94 118.70 115.59 2wbj s GLU 88 Ca 0.73 -0.70 -0.08 0.00 0.36 0.00 0.00 54.97 55.27 2wbj s GLU 88 Cb -0.06 -1.49 -0.04 0.00 0.26 0.00 0.00 34.13 32.80 2wbj s GLU 88 CO 0.54 -0.99 0.20 0.08 -0.54 0.00 0.00 175.26 174.55 2wbj s VAL 89 N 1.93 5.41 -0.07 3.70 1.01 -1.26 -2.56 120.40 128.55 2wbj s VAL 89 Ca 0.09 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 2wbj s VAL 89 Cb -0.16 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2wbj s VAL 89 CO -0.31 0.57 0.32 0.28 0.00 0.00 0.00 175.10 175.96 2wbj s THR 90 N -1.08 0.03 -0.13 3.92 -1.32 -0.82 -5.01 115.64 111.24 2wbj s THR 90 Ca 0.18 -0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.44 2wbj s THR 90 Cb -0.13 -0.54 0.02 0.00 -1.51 0.00 0.00 72.50 70.34 2wbj s THR 90 CO 0.07 -0.13 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.52 2wbj s VAL 91 N -0.56 1.53 0.15 5.08 1.01 -1.26 -0.99 120.40 125.36 2wbj s VAL 91 Ca -0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2wbj s VAL 91 Cb -0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2wbj s VAL 91 CO 0.02 0.45 0.10 -1.48 0.00 0.00 0.00 175.10 174.19 2wbj s LEU 92 N 1.22 1.54 0.00 3.92 0.05 -0.86 -4.98 118.68 119.58 2wbj s LEU 92 Ca -0.01 -1.21 -0.11 0.00 0.05 0.00 0.00 54.13 52.85 2wbj s LEU 92 Cb -0.14 0.43 -0.05 0.00 -2.05 0.00 0.00 46.19 44.38 2wbj s LEU 92 CO -0.06 -0.78 0.34 -0.89 -0.55 0.00 0.00 176.35 174.42 2wbj s THR 93 N -4.06 5.16 0.29 5.48 2.01 -1.26 -0.42 115.64 122.84 2wbj s THR 93 Ca 0.26 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.84 2wbj s THR 93 Cb 0.07 -3.62 0.30 0.00 0.01 0.00 0.00 72.50 69.26 2wbj s THR 93 CO 0.04 0.48 1.67 -1.13 -0.69 0.00 0.00 174.62 174.99 2wbj h ASN 94 N 4.38 0.20 -5.37 3.53 -1.24 -1.26 -3.44 115.58 112.38 2wbj h ASN 94 Ca -0.51 0.18 -0.14 0.00 0.71 0.00 0.00 56.30 56.53 2wbj h ASN 94 Cb 1.21 0.19 -0.13 0.00 0.73 0.00 0.00 38.32 40.33 2wbj h ASN 94 CO 0.63 -0.08 -0.40 -0.94 -1.29 0.00 0.00 177.43 175.35 2wbj s SER 95 N -5.11 0.07 0.02 1.15 1.04 -1.26 -5.03 113.70 104.58 2wbj s SER 95 Ca -0.12 -1.07 -0.38 0.00 0.48 0.00 0.00 55.95 54.86 2wbj s SER 95 Cb 0.26 0.44 -0.19 0.00 0.10 0.00 0.00 66.02 66.63 2wbj s SER 95 CO 0.78 -0.92 0.98 -2.65 0.98 0.00 0.00 173.24 172.41 2wbj n PRO 96 N -0.25 0.00 -2.85 4.02 -0.01 -1.26 -4.85 135.00 129.79 2wbj n PRO 96 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 63.50 63.03 2wbj n PRO 96 Cb 0.64 -1.40 -0.04 0.00 -0.01 0.00 0.00 33.50 32.68 2wbj n PRO 96 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 2wbj s VAL 97 N -0.12 4.51 0.04 -1.45 1.01 -1.26 -5.03 120.40 118.09 2wbj s VAL 97 Ca 0.86 0.68 -0.00 0.00 0.00 0.00 0.00 61.98 63.51 2wbj s VAL 97 Cb -1.20 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 30.73 2wbj s VAL 97 CO 0.56 -0.81 0.17 -1.61 0.00 0.00 0.00 175.10 173.41 2wbj s GLU 98 N 3.65 3.32 -0.06 2.72 2.02 -1.26 -5.06 118.70 124.03 2wbj s GLU 98 Ca 0.36 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.61 2wbj s GLU 98 Cb -0.11 -3.00 -0.07 0.00 0.10 0.00 0.00 34.13 31.06 2wbj s GLU 98 CO 0.25 0.63 1.88 -1.17 0.02 0.00 0.00 175.26 176.87 2wbj s LEU 99 N -2.25 4.17 -1.49 1.80 1.98 -1.26 -2.79 118.68 118.85 2wbj s LEU 99 Ca 0.31 2.29 -0.12 0.00 -2.89 0.00 0.00 54.13 53.71 2wbj s LEU 99 Cb -0.13 -3.53 0.07 0.00 0.66 0.00 0.00 46.19 43.26 2wbj s LEU 99 CO 0.23 -1.19 0.95 0.54 -1.89 0.00 0.00 176.35 174.98 2wbj n ARG 100 N 7.65 -5.70 -4.61 1.98 1.74 -0.74 -5.00 116.66 111.96 2wbj n ARG 100 Ca 0.21 0.65 -0.33 0.00 -0.77 0.00 0.00 57.85 57.61 2wbj n ARG 100 Cb 0.43 -5.56 -0.15 0.00 -1.02 0.00 0.00 32.46 26.16 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 -6.45 3.19 0.37 5.56 2.56 -1.12 -4.93 118.70 117.88 2wbj s GLU 101 Ca 0.60 -0.77 -0.25 0.00 0.00 0.00 0.00 54.97 54.55 2wbj s GLU 101 Cb -0.30 -2.58 -0.12 0.00 2.00 0.00 0.00 34.13 33.13 2wbj s GLU 101 CO 0.75 0.04 0.91 -2.30 -0.56 0.00 0.00 175.26 174.10 2wbj n PRO 102 N 3.98 1.18 -4.03 4.30 -0.02 -1.26 -4.48 135.00 134.66 2wbj n PRO 102 Ca -0.19 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 2wbj n PRO 102 Cb 0.52 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 -0.72 0.79 -0.08 2.55 3.84 -0.88 -5.02 114.94 115.43 2wbj s ASN 103 Ca 0.61 -1.45 0.01 0.00 0.21 0.00 0.00 52.86 52.25 2wbj s ASN 103 Cb -0.63 0.71 0.02 0.00 -0.55 0.00 0.00 41.25 40.81 2wbj s ASN 103 CO 0.58 -1.40 -0.08 -0.69 -2.79 0.00 0.00 177.10 172.72 2wbj s VAL 104 N -2.82 0.91 0.20 -5.21 1.01 -1.26 -1.71 120.40 111.51 2wbj s VAL 104 Ca 0.28 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2wbj s VAL 104 Cb -0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 36.38 35.39 2wbj s VAL 104 CO 0.19 0.32 1.06 -0.76 0.00 0.00 0.00 175.10 175.91 2wbj s LEU 105 N 1.18 4.53 -0.23 3.92 1.43 0.16 -0.68 118.68 129.00 2wbj s LEU 105 Ca -0.06 2.07 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 2wbj s LEU 105 Cb -0.14 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2wbj s LEU 105 CO -0.02 -0.12 -0.11 -0.63 0.23 0.00 0.00 176.35 175.70 2wbj s ILE 106 N -0.57 2.61 -0.32 -0.59 1.01 0.44 -1.34 121.20 122.44 2wbj s ILE 106 Ca 0.47 -1.00 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 2wbj s ILE 106 Cb -0.29 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2wbj s ILE 106 CO 0.35 0.31 0.74 0.00 0.00 0.00 0.00 174.94 176.34 2wbj s PHE 108 N 2.90 3.21 -0.27 0.00 2.19 -0.16 -1.22 117.98 124.63 2wbj s PHE 108 Ca 0.30 -1.10 -0.04 0.00 0.33 0.00 0.00 56.93 56.42 2wbj s PHE 108 Cb -0.14 -2.32 0.02 0.00 -1.31 0.00 0.00 43.02 39.27 2wbj s PHE 108 CO 0.14 -0.64 -0.00 0.42 1.83 0.00 0.00 175.22 176.97 2wbj s ILE 109 N 1.49 3.34 0.06 3.12 1.01 0.02 -1.94 121.20 128.30 2wbj s ILE 109 Ca 0.01 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2wbj s ILE 109 Cb -0.18 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 2wbj s ILE 109 CO 0.04 0.16 -0.13 -0.62 0.00 0.00 0.00 174.94 174.38 2wbj s ASP 110 N 1.40 1.54 -0.72 3.58 -1.08 -1.06 -0.59 116.67 119.74 2wbj s ASP 110 Ca 0.01 -0.60 -0.02 0.00 -0.52 0.00 0.00 52.55 51.42 2wbj s ASP 110 Cb -0.17 -0.04 -0.03 0.00 -1.46 0.00 0.00 42.92 41.23 2wbj s ASP 110 CO -0.02 -0.09 0.62 0.29 0.52 0.00 0.00 175.17 176.49 2wbj n LYS 111 N 1.34 -2.68 -3.97 4.34 5.02 -0.92 -0.30 118.16 120.99 2wbj n LYS 111 Ca -0.21 0.56 -0.09 0.00 -2.02 0.00 0.00 58.31 56.55 2wbj n LYS 111 Cb 0.54 -4.46 -0.10 0.00 -0.02 0.00 0.00 35.03 30.99 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 0.29 0.06 2.13 -0.71 -1.15 -4.35 117.98 111.01 2wbj s PHE 112 Ca 0.17 -0.67 -0.17 0.00 -1.04 0.00 0.00 56.93 55.22 2wbj s PHE 112 Cb -0.02 -0.21 0.03 0.00 -1.21 0.00 0.00 43.02 41.61 2wbj s PHE 112 CO 0.47 -0.36 0.40 -0.08 -1.34 0.00 0.00 175.22 174.31 2wbj s THR 113 N -2.94 0.06 0.99 -4.49 -1.32 -0.73 0.48 115.64 107.69 2wbj s THR 113 Ca -0.02 -0.51 -0.12 0.00 -1.21 0.00 0.00 61.69 59.83 2wbj s THR 113 Cb 0.01 -0.99 0.18 0.00 -1.51 0.00 0.00 72.50 70.19 2wbj s THR 113 CO -0.06 -0.28 1.09 -2.16 -2.21 0.00 0.00 174.62 171.00 2wbj s PRO 114 N -2.72 0.49 -1.32 7.08 0.04 -1.26 -1.37 135.00 135.94 2wbj s PRO 114 Ca -0.04 0.57 -0.09 0.00 0.04 0.00 0.00 61.00 61.48 2wbj s PRO 114 Cb -0.00 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 2wbj s PRO 114 CO -0.04 -2.70 3.08 -0.35 0.04 0.00 0.00 177.00 177.03 2wbj n PRO 115 N -4.16 3.40 -4.53 0.56 -0.04 -1.26 -4.78 135.00 124.19 2wbj n PRO 115 Ca 0.05 -1.99 -0.26 0.00 -0.04 0.00 0.00 63.50 61.26 2wbj n PRO 115 Cb 0.57 -2.65 -0.17 0.00 -0.04 0.00 0.00 33.50 31.21 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 1.90 1.23 -0.17 0.52 1.01 -1.26 -5.04 120.40 118.58 2wbj s VAL 116 Ca 0.69 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 2wbj s VAL 116 Cb 0.21 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.54 2wbj s VAL 116 CO -0.05 0.38 0.38 0.54 0.00 0.00 0.00 175.10 176.35 2wbj s VAL 117 N 0.80 -0.45 -0.18 2.92 0.11 -1.26 -4.68 120.40 117.66 2wbj s VAL 117 Ca -0.12 0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 58.93 2wbj s VAL 117 Cb -0.15 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2wbj s VAL 117 CO 0.02 0.07 0.48 0.20 -3.33 0.00 0.00 175.10 172.54 2wbj s ASN 118 N 2.26 6.56 -0.03 3.54 0.01 -0.88 -4.97 114.94 121.44 2wbj s ASN 118 Ca -0.03 0.67 0.03 0.00 -0.71 0.00 0.00 52.86 52.82 2wbj s ASN 118 Cb -0.11 -2.28 -0.00 0.00 0.41 0.00 0.00 41.25 39.27 2wbj s ASN 118 CO -0.12 -0.11 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.55 2wbj s VAL 119 N 1.30 1.05 -0.03 1.60 1.01 -1.26 -0.17 120.40 123.91 2wbj s VAL 119 Ca 0.23 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2wbj s VAL 119 Cb -0.15 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2wbj s VAL 119 CO 0.09 0.31 -0.01 -0.89 0.00 0.00 0.00 175.10 174.61 2wbj s THR 120 N 0.07 0.20 0.25 3.92 2.01 0.36 -5.02 115.64 117.43 2wbj s THR 120 Ca -0.02 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 2wbj s THR 120 Cb -0.09 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 72.05 2wbj s THR 120 CO 0.01 0.14 0.88 0.26 -0.69 0.00 0.00 174.62 175.22 2wbj s TRP 121 N 0.88 3.85 -0.06 4.92 0.52 -1.26 -0.56 118.94 127.22 2wbj s TRP 121 Ca -0.09 1.76 0.03 0.00 0.02 0.00 0.00 56.10 57.82 2wbj s TRP 121 Cb -0.12 -2.88 0.01 0.00 -1.15 0.00 0.00 33.47 29.33 2wbj s TRP 121 CO -0.01 0.38 -0.14 -0.51 0.02 0.00 0.00 176.95 176.69 2wbj s LEU 122 N -1.52 1.74 -0.23 2.99 1.43 -0.79 -1.09 118.68 121.21 2wbj s LEU 122 Ca 0.43 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2wbj s LEU 122 Cb -0.22 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 2wbj s LEU 122 CO 0.27 0.07 0.04 -0.60 0.23 0.00 0.00 176.35 176.36 2wbj s ARG 123 N 0.48 3.61 -1.31 1.70 3.52 -0.56 -0.86 118.95 125.53 2wbj s ARG 123 Ca -0.12 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 2wbj s ARG 123 Cb -0.15 -3.23 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 2wbj s ARG 123 CO 0.04 -0.14 0.09 0.09 -0.81 0.00 0.00 175.30 174.56 2wbj n ASN 124 N 4.75 -4.60 0.00 -2.12 3.02 -0.42 -1.36 115.26 114.54 2wbj n ASN 124 Ca -0.17 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2wbj n ASN 124 Cb 0.51 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 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 -0.95 0.75 3.26 7.41 0.00 -1.26 -5.05 105.19 109.35 2wbj n GLY 125 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.39 3.21 0.25 1.61 1.02 -0.46 -5.04 119.74 119.93 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 -2.63 -0.10 0.00 -0.52 0.00 0.00 37.83 34.58 2wbj s LYS 126 CO 0.00 0.01 1.44 -1.25 -0.92 0.00 0.00 175.35 174.62 2wbj s PRO 127 N 0.84 4.27 -0.39 -1.68 0.04 -1.26 -1.50 135.00 135.31 2wbj s PRO 127 Ca -0.05 2.30 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 2wbj s PRO 127 Cb -0.15 -3.11 0.04 0.00 0.04 0.00 0.00 34.50 31.32 2wbj s PRO 127 CO -0.01 -0.42 0.24 0.08 0.04 0.00 0.00 177.00 176.94 2wbj s VAL 128 N -0.01 4.67 -0.14 -0.36 1.01 -0.25 -4.89 120.40 120.43 2wbj s VAL 128 Ca 0.59 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 2wbj s VAL 128 Cb -0.42 -3.66 -0.25 0.00 0.00 0.00 0.00 36.38 32.06 2wbj s VAL 128 CO 0.43 -0.31 0.55 0.74 0.00 0.00 0.00 175.10 176.51 2wbj h THR 129 N 5.86 1.26 -3.01 3.92 2.02 -1.93 -3.42 112.91 117.62 2wbj h THR 129 Ca -0.25 -2.33 -0.66 0.00 0.77 0.00 0.00 66.41 63.93 2wbj h THR 129 Cb 1.10 2.81 -0.09 0.00 -1.74 0.00 0.00 68.15 70.23 2wbj h THR 129 CO 0.70 0.56 -0.55 0.42 0.37 0.00 0.00 175.52 177.03 2wbj s THR 130 N -2.37 4.93 0.00 3.16 -4.23 -1.26 -4.30 115.64 111.57 2wbj s THR 130 Ca -0.22 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2wbj s THR 130 Cb 0.02 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2wbj s THR 130 CO 0.70 0.41 0.00 0.61 -0.54 0.00 0.00 174.62 175.80 2wbj n GLY 131 N 1.35 0.75 3.81 3.99 0.00 -1.26 -5.08 105.19 108.76 2wbj n GLY 131 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 2wbj n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbj s VAL 132 N -2.20 3.95 -0.00 1.61 1.01 -1.26 -4.51 120.40 119.01 2wbj s VAL 132 Ca 0.00 0.83 -0.14 0.00 0.00 0.00 0.00 61.98 62.67 2wbj s VAL 132 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.98 2wbj s VAL 132 CO 0.00 -0.64 0.30 -0.55 0.00 0.00 0.00 175.10 174.22 2wbj s SER 133 N -3.13 -0.17 0.07 3.32 0.15 -0.94 -5.02 113.70 107.98 2wbj s SER 133 Ca 0.61 0.03 -0.09 0.00 0.70 0.00 0.00 55.95 57.20 2wbj s SER 133 Cb -0.15 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2wbj s SER 133 CO 0.42 -0.47 0.19 -1.83 1.20 0.00 0.00 173.24 172.74 2wbj s GLU 134 N -1.54 0.77 0.54 5.44 -1.05 -1.26 -0.14 118.70 121.46 2wbj s GLU 134 Ca -0.12 -0.82 -0.01 0.00 -0.15 0.00 0.00 54.97 53.87 2wbj s GLU 134 Cb -0.05 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 33.98 2wbj s GLU 134 CO 0.03 -0.23 0.79 0.95 0.95 0.00 0.00 175.26 177.74 2wbj s THR 135 N -3.30 3.19 0.36 1.83 -4.23 -0.08 -5.01 115.64 108.40 2wbj s THR 135 Ca 0.01 -0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 2wbj s THR 135 Cb 0.02 -3.22 0.09 0.00 1.34 0.00 0.00 72.50 70.73 2wbj s THR 135 CO -0.08 -0.17 0.41 1.33 -0.54 0.00 0.00 174.62 175.57 2wbj n VAL 136 N -2.36 0.00 -2.57 2.29 0.24 -1.26 -4.67 118.33 110.00 2wbj n VAL 136 Ca 0.05 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.34 61.66 2wbj n VAL 136 Cb 0.59 -1.52 -0.02 0.00 -1.47 0.00 0.00 33.84 31.42 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 -1.85 2.89 0.14 6.34 0.40 -1.26 -4.60 117.98 120.04 2wbj s PHE 137 Ca 0.25 0.92 -0.13 0.00 -0.60 0.00 0.00 56.93 57.37 2wbj s PHE 137 Cb -0.01 -4.07 -0.07 0.00 0.51 0.00 0.00 43.02 39.38 2wbj s PHE 137 CO 0.18 -1.19 0.52 -0.51 0.70 0.00 0.00 175.22 174.91 2wbj s LEU 138 N 4.21 4.33 0.83 -0.37 1.02 0.14 -4.88 118.68 123.95 2wbj s LEU 138 Ca 0.49 1.00 -0.12 0.00 0.02 0.00 0.00 54.13 55.52 2wbj s LEU 138 Cb -0.11 -3.23 0.09 0.00 0.02 0.00 0.00 46.19 42.96 2wbj s LEU 138 CO 0.24 0.11 1.13 -2.16 0.02 0.00 0.00 176.35 175.69 2wbj s PRO 139 N -2.01 1.83 0.11 1.29 0.04 -1.26 -1.46 135.00 133.54 2wbj s PRO 139 Ca 0.37 0.34 0.02 0.00 0.04 0.00 0.00 61.00 61.78 2wbj s PRO 139 Cb -0.14 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2wbj s PRO 139 CO 0.19 -1.73 -0.07 1.03 0.04 0.00 0.00 177.00 176.45 2wbj s ARG 140 N -5.35 0.88 0.36 4.56 0.52 -0.88 -4.76 118.95 114.28 2wbj s ARG 140 Ca 0.62 -1.35 0.10 0.00 -0.52 0.00 0.00 55.73 54.59 2wbj s ARG 140 Cb -0.13 -0.31 0.70 0.00 0.52 0.00 0.00 34.95 35.73 2wbj s ARG 140 CO 0.52 0.01 1.84 1.49 0.02 0.00 0.00 175.30 179.17 2wbj h GLU 141 N 2.97 0.14 -0.00 3.54 4.57 -1.99 -0.61 114.58 123.19 2wbj h GLU 141 Ca -0.36 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2wbj h GLU 141 Cb 1.17 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2wbj h GLU 141 CO 0.64 0.42 -0.01 -0.40 -1.18 0.00 0.00 179.01 178.48 2wbj n ASP 142 N -4.15 0.09 -0.08 1.04 5.68 -1.26 -4.92 116.55 112.96 2wbj n ASP 142 Ca -0.01 -0.72 -0.01 0.00 -0.50 0.00 0.00 54.79 53.55 2wbj n ASP 142 Cb 0.37 -0.10 -0.00 0.00 -1.14 0.00 0.00 41.12 40.25 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 -1.04 0.00 -2.00 2.11 8.25 -0.24 -5.04 115.22 117.26 2wbj n HIS 143 Ca 0.20 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.42 2wbj n HIS 143 Cb 0.17 -0.48 0.16 0.00 1.12 0.00 0.00 29.99 30.96 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 -0.11 0.00 -4.75 2.41 4.77 -1.26 -4.84 117.00 113.21 2wbj n LEU 144 Ca -0.01 -1.43 -0.27 0.00 -0.03 0.00 0.00 56.01 54.27 2wbj n LEU 144 Cb 0.06 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.27 2wbj n LEU 144 CO 0.02 -1.23 -0.16 -0.36 -1.33 0.00 0.00 177.39 174.32 2wbj s PHE 145 N -3.34 2.30 -0.20 -1.77 0.40 0.18 -2.07 117.98 113.48 2wbj s PHE 145 Ca 0.64 -0.71 -0.23 0.00 -0.60 0.00 0.00 56.93 56.04 2wbj s PHE 145 Cb -0.02 -1.87 0.06 0.00 0.51 0.00 0.00 43.02 41.71 2wbj s PHE 145 CO 0.45 0.13 0.63 0.50 0.70 0.00 0.00 175.22 177.62 2wbj s ARG 146 N -3.93 0.79 -0.12 0.44 3.52 -0.53 -2.16 118.95 116.96 2wbj s ARG 146 Ca 0.33 0.75 -0.19 0.00 -0.13 0.00 0.00 55.73 56.49 2wbj s ARG 146 Cb 0.03 0.38 0.04 0.00 -1.56 0.00 0.00 34.95 33.85 2wbj s ARG 146 CO 0.18 -0.13 0.47 0.21 -0.81 0.00 0.00 175.30 175.23 2wbj s LYS 147 N 0.05 0.68 -0.08 5.12 2.20 0.24 0.25 119.74 128.19 2wbj s LYS 147 Ca -0.02 0.38 0.04 0.00 -0.36 0.00 0.00 55.97 56.01 2wbj s LYS 147 Cb -0.04 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 2wbj s LYS 147 CO 0.02 -0.14 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.60 2wbj s PHE 148 N -0.39 2.59 0.04 4.03 0.08 -1.26 -0.80 117.98 122.26 2wbj s PHE 148 Ca -0.05 -0.73 0.05 0.00 0.12 0.00 0.00 56.93 56.32 2wbj s PHE 148 Cb -0.03 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2wbj s PHE 148 CO 0.03 -0.22 -0.10 -1.01 -0.10 0.00 0.00 175.22 173.81 2wbj s HIS 149 N 0.02 2.77 -0.00 0.36 3.76 -0.36 -0.91 115.29 120.94 2wbj s HIS 149 Ca -0.08 -0.13 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 2wbj s HIS 149 Cb -0.15 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 2wbj s HIS 149 CO 0.05 0.36 -0.14 0.71 -0.85 0.00 0.00 174.74 174.88 2wbj s TYR 150 N -1.05 1.22 -0.23 1.40 2.02 0.79 -1.05 117.35 120.45 2wbj s TYR 150 Ca 0.18 -0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 56.59 2wbj s TYR 150 Cb -0.11 -0.77 0.08 0.00 -0.40 0.00 0.00 41.96 40.76 2wbj s TYR 150 CO 0.09 -0.01 0.10 -1.17 -1.57 0.00 0.00 175.55 173.00 2wbj s LEU 151 N -0.47 0.54 0.41 -1.29 2.96 -0.45 -2.21 118.68 118.17 2wbj s LEU 151 Ca 0.05 -0.95 -0.25 0.00 -0.22 0.00 0.00 54.13 52.76 2wbj s LEU 151 Cb -0.06 -0.33 -0.08 0.00 0.50 0.00 0.00 46.19 46.22 2wbj s LEU 151 CO -0.00 -0.39 1.17 -2.16 -1.32 0.00 0.00 176.35 173.65 2wbj s PRO 152 N 2.09 3.99 0.10 0.98 0.04 -1.26 -0.66 135.00 140.28 2wbj s PRO 152 Ca 0.05 1.83 -0.22 0.00 0.04 0.00 0.00 61.00 62.69 2wbj s PRO 152 Cb -0.16 -2.62 0.06 0.00 0.04 0.00 0.00 34.50 31.82 2wbj s PRO 152 CO -0.22 -0.37 0.55 -0.59 0.04 0.00 0.00 177.00 176.42 2wbj s PHE 153 N -1.44 -0.46 -0.35 0.56 -0.71 -0.70 -4.92 117.98 109.95 2wbj s PHE 153 Ca 0.58 0.37 -0.16 0.00 -1.04 0.00 0.00 56.93 56.69 2wbj s PHE 153 Cb -0.30 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 41.94 2wbj s PHE 153 CO 0.38 -0.74 0.39 -0.51 -1.34 0.00 0.00 175.22 173.39 2wbj s LEU 154 N -2.39 4.49 0.34 -1.99 1.43 -1.26 -2.07 118.68 117.22 2wbj s LEU 154 Ca -0.02 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 2wbj s LEU 154 Cb -0.00 -2.38 -0.11 0.00 0.03 0.00 0.00 46.19 43.73 2wbj s LEU 154 CO -0.07 -0.39 1.40 -2.84 0.23 0.00 0.00 176.35 174.67 2wbj s PRO 155 N 2.08 4.24 -0.03 1.29 0.02 -1.26 -4.89 135.00 136.45 2wbj s PRO 155 Ca 0.13 2.38 -0.29 0.00 0.02 0.00 0.00 61.00 63.24 2wbj s PRO 155 Cb -0.16 -3.03 0.10 0.00 0.02 0.00 0.00 34.50 31.43 2wbj s PRO 155 CO 0.12 -0.36 0.86 -1.54 -0.33 0.00 0.00 177.00 175.75 2wbj s SER 156 N -0.25 -0.43 0.63 2.53 1.04 -1.26 -1.80 113.70 114.16 2wbj s SER 156 Ca 0.52 0.19 0.38 0.00 0.48 0.00 0.00 55.95 57.52 2wbj s SER 156 Cb -0.43 0.41 2.11 0.00 0.10 0.00 0.00 66.02 68.21 2wbj s SER 156 CO 0.56 -0.59 2.29 0.71 0.98 0.00 0.00 173.24 177.19 2wbj h THR 157 N 2.27 0.20 -0.16 2.02 1.35 -1.97 -3.26 112.91 113.35 2wbj h THR 157 Ca -0.23 -0.09 -0.09 0.00 -0.55 0.00 0.00 66.41 65.45 2wbj h THR 157 Cb 1.22 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2wbj h THR 157 CO 0.33 0.01 -0.25 -0.08 -0.25 0.00 0.00 175.52 175.28 2wbj h GLU 158 N 0.00 0.45 -5.63 4.72 4.57 -1.98 -3.46 114.58 113.26 2wbj h GLU 158 Ca -0.00 -0.27 -0.66 0.00 -1.18 0.00 0.00 59.36 57.25 2wbj h GLU 158 Cb 0.07 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.58 2wbj h GLU 158 CO 0.00 0.87 -0.52 0.16 -1.18 0.00 0.00 179.01 178.33 2wbj s ASP 159 N -6.34 6.02 0.14 1.04 1.47 -1.23 -5.03 116.67 112.74 2wbj s ASP 159 Ca -0.14 0.32 -0.01 0.00 1.18 0.00 0.00 52.55 53.91 2wbj s ASP 159 Cb 0.06 -1.92 -0.04 0.00 -0.34 0.00 0.00 42.92 40.67 2wbj s ASP 159 CO 0.78 0.35 0.32 0.68 0.68 0.00 0.00 175.17 177.98 2wbj s VAL 160 N -0.68 5.27 0.12 2.11 -7.23 -1.26 -4.45 120.40 114.27 2wbj s VAL 160 Ca 0.12 -0.34 0.07 0.00 -1.81 0.00 0.00 61.98 60.03 2wbj s VAL 160 Cb -0.12 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 2wbj s VAL 160 CO 0.02 -0.02 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.31 2wbj s TYR 161 N -1.70 1.62 0.04 2.82 1.51 0.24 -1.30 117.35 120.59 2wbj s TYR 161 Ca 0.37 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 2wbj s TYR 161 Cb -0.12 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 2wbj s TYR 161 CO 0.28 0.20 -0.05 -0.51 -1.11 0.00 0.00 175.55 174.36 2wbj s ASP 162 N -2.21 0.57 -0.33 2.29 1.01 -0.04 -1.12 116.67 116.84 2wbj s ASP 162 Ca 0.08 -0.69 0.01 0.00 0.71 0.00 0.00 52.55 52.66 2wbj s ASP 162 Cb -0.08 0.11 0.08 0.00 1.01 0.00 0.00 42.92 44.04 2wbj s ASP 162 CO 0.04 -0.36 0.04 0.00 0.21 0.00 0.00 175.17 175.10 2wbj s ARG 164 N 1.07 4.07 -0.15 0.00 3.52 0.27 -2.45 118.95 125.28 2wbj s ARG 164 Ca 0.03 0.60 0.02 0.00 -0.13 0.00 0.00 55.73 56.24 2wbj s ARG 164 Cb -0.20 -3.67 0.01 0.00 -1.56 0.00 0.00 34.95 29.53 2wbj s ARG 164 CO -0.05 -0.50 -0.20 0.08 -0.81 0.00 0.00 175.30 173.82 2wbj s VAL 165 N 2.65 1.97 -0.12 7.11 1.01 -0.31 -0.49 120.40 132.22 2wbj s VAL 165 Ca 0.29 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2wbj s VAL 165 Cb -0.15 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2wbj s VAL 165 CO 0.09 0.53 0.00 -1.61 0.00 0.00 0.00 175.10 174.11 2wbj s GLU 166 N 1.04 3.36 0.04 2.72 2.02 0.77 -1.08 118.70 127.57 2wbj s GLU 166 Ca -0.02 -0.43 -0.12 0.00 0.02 0.00 0.00 54.97 54.42 2wbj s GLU 166 Cb -0.14 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.19 2wbj s GLU 166 CO -0.06 0.50 0.26 -1.58 0.02 0.00 0.00 175.26 174.39 2wbj s HIS 167 N -0.30 -0.04 0.25 1.61 2.46 -1.26 -2.06 115.29 115.94 2wbj s HIS 167 Ca 0.06 -0.14 0.21 0.00 0.47 0.00 0.00 55.06 55.66 2wbj s HIS 167 Cb -0.12 0.05 0.91 0.00 -0.13 0.00 0.00 32.58 33.28 2wbj s HIS 167 CO 0.02 -0.48 1.84 -1.49 -2.47 0.00 0.00 174.74 172.16 2wbj h TRP 168 N 3.29 0.00 0.00 3.88 6.55 -1.93 -2.05 115.95 125.69 2wbj h TRP 168 Ca -0.32 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.48 2wbj h TRP 168 Cb 1.20 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.49 2wbj h TRP 168 CO 0.47 0.29 -0.18 0.78 -1.05 0.00 0.00 178.44 178.75 2wbj h GLY 169 N 1.64 0.00 -5.27 1.49 0.00 -1.87 -3.44 103.07 95.62 2wbj h GLY 169 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2wbj h GLY 169 CO 0.04 0.00 0.20 1.08 0.00 0.00 0.00 176.54 177.86 2wbj s LEU 170 N -6.75 4.24 0.16 3.11 1.02 -0.77 -4.61 118.68 115.09 2wbj s LEU 170 Ca 0.00 1.14 -0.09 0.00 0.02 0.00 0.00 54.13 55.21 2wbj s LEU 170 Cb 0.10 -3.12 0.01 0.00 0.02 0.00 0.00 46.19 43.20 2wbj s LEU 170 CO 0.62 -0.24 1.51 0.44 0.02 0.00 0.00 176.35 178.70 2wbj h ASP 171 N 7.07 0.95 -3.82 2.29 3.32 -1.84 -3.45 116.42 120.94 2wbj h ASP 171 Ca -0.36 -0.42 -0.68 0.00 0.02 0.00 0.00 57.03 55.59 2wbj h ASP 171 Cb 1.17 -0.27 -0.30 0.00 0.22 0.00 0.00 39.33 40.15 2wbj h ASP 171 CO 0.78 1.20 -0.85 -0.70 -1.72 0.00 0.00 179.24 177.95 2wbj s GLU 172 N -4.44 2.74 0.08 3.56 2.56 -1.26 -5.09 118.70 116.84 2wbj s GLU 172 Ca -0.11 -0.85 -0.33 0.00 0.00 0.00 0.00 54.97 53.69 2wbj s GLU 172 Cb 0.12 -2.28 -0.12 0.00 2.00 0.00 0.00 34.13 33.85 2wbj s GLU 172 CO 0.87 0.36 1.78 -2.30 -0.56 0.00 0.00 175.26 175.41 2wbj n PRO 173 N 3.04 2.47 -2.67 4.30 -0.02 -1.26 -4.92 135.00 135.95 2wbj n PRO 173 Ca -0.18 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 2wbj n PRO 173 Cb 0.52 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 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 2.56 4.18 -0.48 2.45 2.96 -0.24 -4.89 118.68 125.23 2wbj s LEU 174 Ca 0.84 1.47 0.04 0.00 -0.22 0.00 0.00 54.13 56.26 2wbj s LEU 174 Cb -0.59 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 42.68 2wbj s LEU 174 CO 0.41 -0.56 0.21 -0.22 -1.32 0.00 0.00 176.35 174.87 2wbj s LEU 175 N 2.58 4.39 -0.19 -0.68 1.98 -1.26 -1.16 118.68 124.34 2wbj s LEU 175 Ca 0.47 -2.82 -0.16 0.00 -2.89 0.00 0.00 54.13 48.73 2wbj s LEU 175 Cb -0.17 -1.63 -0.04 0.00 0.66 0.00 0.00 46.19 45.01 2wbj s LEU 175 CO 0.13 -0.27 0.41 -0.54 -1.89 0.00 0.00 176.35 174.20 2wbj s LYS 176 N -0.01 4.20 -0.10 1.98 -0.14 -1.02 -4.92 119.74 119.72 2wbj s LYS 176 Ca 0.16 0.25 -0.08 0.00 -1.36 0.00 0.00 55.97 54.93 2wbj s LYS 176 Cb -0.24 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.34 2wbj s LYS 176 CO -0.02 -0.01 0.19 -1.58 -0.76 0.00 0.00 175.35 173.17 2wbj s HIS 177 N 1.20 3.62 -0.02 3.18 5.65 -1.26 -1.09 115.29 126.57 2wbj s HIS 177 Ca 0.20 0.61 0.03 0.00 0.25 0.00 0.00 55.06 56.15 2wbj s HIS 177 Cb -0.15 -2.01 -0.00 0.00 -1.18 0.00 0.00 32.58 29.24 2wbj s HIS 177 CO 0.08 0.71 -0.09 -0.46 -0.65 0.00 0.00 174.74 174.33 2wbj s TRP 178 N -1.00 0.89 0.21 3.88 -0.00 -0.28 -4.93 118.94 117.72 2wbj s TRP 178 Ca 0.16 -0.20 -0.00 0.00 -0.00 0.00 0.00 56.10 56.06 2wbj s TRP 178 Cb -0.13 -0.61 -0.04 0.00 -0.00 0.00 0.00 33.47 32.69 2wbj s TRP 178 CO 0.06 -0.06 0.11 -1.83 -0.00 0.00 0.00 176.95 175.23 2wbj s GLU 179 N 0.01 1.23 0.00 5.86 -1.05 -1.26 -0.59 118.70 122.89 2wbj s GLU 179 Ca -0.00 -1.64 0.07 0.00 -0.15 0.00 0.00 54.97 53.24 2wbj s GLU 179 Cb -0.06 0.14 0.41 0.00 -0.44 0.00 0.00 34.13 34.18 2wbj s GLU 179 CO 0.00 -0.35 0.88 0.34 0.95 0.00 0.00 175.26 177.07