#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwm n GLU 4 N 0.00 0.00 -3.82 5.31 1.02 -1.26 -5.14 120.64 116.75 1jwm n GLU 4 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1jwm n GLU 4 Cb 0.00 -0.19 -0.08 0.00 -0.02 0.00 0.00 31.44 31.15 1jwm n GLU 4 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1jwm s HIS 5 N -1.61 -0.00 -0.03 -0.32 3.76 -1.26 -5.03 115.29 110.79 1jwm s HIS 5 Ca 0.00 -0.17 -0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1jwm s HIS 5 Cb 0.00 0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.73 1jwm s HIS 5 CO 0.00 -0.44 0.02 0.08 -0.85 0.00 0.00 174.74 173.55 1jwm s VAL 6 N -2.45 0.05 -0.27 -0.90 1.01 -1.26 -5.00 120.40 111.58 1jwm s VAL 6 Ca -0.06 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1jwm s VAL 6 Cb -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.20 1jwm s VAL 6 CO -0.03 0.13 0.00 -0.63 0.00 0.00 0.00 175.10 174.57 1jwm s ILE 7 N 1.20 3.39 -0.11 2.22 1.09 -1.25 -1.69 121.20 126.04 1jwm s ILE 7 Ca -0.07 -0.83 -0.01 0.00 -1.10 0.00 0.00 60.65 58.63 1jwm s ILE 7 Cb -0.13 -2.72 -0.02 0.00 -1.06 0.00 0.00 42.46 38.52 1jwm s ILE 7 CO -0.03 0.17 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.27 1jwm s ILE 8 N 1.41 3.55 -0.76 2.92 -1.09 0.48 -4.90 121.20 122.81 1jwm s ILE 8 Ca 0.02 -0.50 -0.09 0.00 -2.23 0.00 0.00 60.65 57.84 1jwm s ILE 8 Cb -0.17 -2.50 0.20 0.00 -1.58 0.00 0.00 42.46 38.42 1jwm s ILE 8 CO -0.01 0.54 0.66 -1.58 -1.23 0.00 0.00 174.94 173.31 1jwm s GLN 9 N -0.09 3.22 -0.14 2.79 0.74 -1.26 -0.34 119.66 124.59 1jwm s GLN 9 Ca 0.00 -2.55 -0.11 0.00 0.05 0.00 0.00 55.36 52.75 1jwm s GLN 9 Cb -0.13 -4.15 -0.05 0.00 1.10 0.00 0.00 33.01 29.78 1jwm s GLN 9 CO 0.03 -1.24 0.22 0.00 -0.55 0.00 0.00 175.29 173.75 1jwm s ALA 10 N -0.04 3.71 0.07 1.58 0.00 -0.51 -4.95 121.76 121.62 1jwm s ALA 10 Ca 0.18 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 1jwm s ALA 10 Cb -0.14 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.76 1jwm s ALA 10 CO -0.07 0.30 0.18 -1.83 0.00 0.00 0.00 175.76 174.34 1jwm s GLU 11 N -0.16 0.78 0.10 0.00 -1.05 -1.26 -1.43 118.70 115.68 1jwm s GLU 11 Ca 0.15 -0.85 -0.25 0.00 -0.15 0.00 0.00 54.97 53.87 1jwm s GLU 11 Cb -0.13 0.32 0.07 0.00 -0.44 0.00 0.00 34.13 33.95 1jwm s GLU 11 CO 0.04 -0.24 0.63 -0.59 0.95 0.00 0.00 175.26 176.05 1jwm s PHE 12 N -3.39 -0.57 0.02 4.83 -0.12 -0.55 -4.97 117.98 113.24 1jwm s PHE 12 Ca 0.01 0.54 0.05 0.00 -0.05 0.00 0.00 56.93 57.48 1jwm s PHE 12 Cb 0.03 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1jwm s PHE 12 CO -0.08 -0.78 -0.14 -0.47 -0.05 0.00 0.00 175.22 173.70 1jwm s TYR 13 N -3.06 1.21 -0.03 3.49 5.04 -1.26 -1.37 117.35 121.37 1jwm s TYR 13 Ca -0.02 -0.31 -0.00 0.00 -2.44 0.00 0.00 57.07 54.30 1jwm s TYR 13 Cb -0.01 -0.74 0.03 0.00 0.35 0.00 0.00 41.96 41.59 1jwm s TYR 13 CO -0.07 0.02 0.03 -1.17 -1.34 0.00 0.00 175.55 173.02 1jwm s LEU 14 N -0.86 0.86 0.08 6.97 2.96 -0.44 -5.01 118.68 123.25 1jwm s LEU 14 Ca 0.03 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1jwm s LEU 14 Cb -0.07 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.46 1jwm s LEU 14 CO 0.01 -0.15 0.06 0.20 -1.32 0.00 0.00 176.35 175.14 1jwm s ASN 15 N 1.34 5.38 0.00 3.68 0.01 -1.26 -0.61 114.94 123.48 1jwm s ASN 15 Ca -0.06 -0.06 0.17 0.00 -0.71 0.00 0.00 52.86 52.20 1jwm s ASN 15 Cb -0.13 -1.40 0.47 0.00 0.41 0.00 0.00 41.25 40.61 1jwm s ASN 15 CO -0.03 0.17 1.39 -0.81 -1.51 0.00 0.00 177.10 176.31 1jwm n PRO 16 N 0.48 2.19 0.31 -0.60 -0.04 -1.26 -4.86 135.00 131.22 1jwm n PRO 16 Ca -0.09 -1.85 0.20 0.00 -0.04 0.00 0.00 63.50 61.72 1jwm n PRO 16 Cb 0.52 -1.41 1.03 0.00 -0.04 0.00 0.00 33.50 33.60 1jwm n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jwm h ASP 17 N 3.06 0.00 -6.08 3.54 5.19 -2.01 -3.46 116.42 116.66 1jwm h ASP 17 Ca 0.00 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.99 1jwm h ASP 17 Cb 0.70 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.27 1jwm h ASP 17 CO 0.00 0.01 -0.84 0.00 -3.12 0.00 0.00 179.24 175.29 1jwm n GLN 18 N -3.19 -4.60 -4.44 3.56 6.02 0.22 -5.00 117.38 109.94 1jwm n GLN 18 Ca -0.02 0.61 -0.24 0.00 -0.01 0.00 0.00 57.00 57.34 1jwm n GLN 18 Cb 0.14 -5.13 -0.11 0.00 1.02 0.00 0.00 30.24 26.17 1jwm n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jwm s SER 19 N -4.30 3.43 0.17 1.08 1.04 -1.13 -4.98 113.70 109.01 1jwm s SER 19 Ca 0.04 -0.97 -0.13 0.00 0.48 0.00 0.00 55.95 55.37 1jwm s SER 19 Cb -0.01 -0.27 0.01 0.00 0.10 0.00 0.00 66.02 65.85 1jwm s SER 19 CO 0.81 0.05 0.38 -0.83 0.98 0.00 0.00 173.24 174.63 1jwm s GLY 20 N -3.18 0.16 0.02 7.32 0.00 -1.26 -1.32 107.32 109.06 1jwm s GLY 20 Ca 0.26 -0.54 -0.06 0.00 0.00 0.00 0.00 44.72 44.38 1jwm s GLY 20 CO 0.12 -0.57 0.11 1.85 0.00 0.00 0.00 173.10 174.62 1jwm s GLU 21 N -3.91 0.50 -0.18 2.90 2.12 -0.47 -4.87 118.70 114.80 1jwm s GLU 21 Ca 0.12 -0.52 -0.05 0.00 0.36 0.00 0.00 54.97 54.88 1jwm s GLU 21 Cb 0.02 0.20 0.09 0.00 0.26 0.00 0.00 34.13 34.69 1jwm s GLU 21 CO -0.03 -0.12 0.32 0.12 -0.54 0.00 0.00 175.26 175.01 1jwm s PHE 22 N -1.75 -0.58 0.15 5.30 2.19 -1.26 -1.49 117.98 120.53 1jwm s PHE 22 Ca -0.12 1.03 -0.21 0.00 0.33 0.00 0.00 56.93 57.97 1jwm s PHE 22 Cb -0.06 0.04 0.06 0.00 -1.31 0.00 0.00 43.02 41.75 1jwm s PHE 22 CO -0.00 -0.48 0.53 0.00 1.83 0.00 0.00 175.22 177.10 1jwm s MET 23 N 2.49 1.21 0.19 10.12 0.23 -0.51 -1.54 119.30 131.48 1jwm s MET 23 Ca 0.03 -0.56 0.08 0.00 -1.03 0.00 0.00 55.69 54.21 1jwm s MET 23 Cb -0.13 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1jwm s MET 23 CO -0.11 -0.51 0.00 -0.06 -2.03 0.00 0.00 175.02 172.31 1jwm s PHE 24 N -3.77 2.83 -0.09 3.16 0.40 -0.59 -1.42 117.98 118.49 1jwm s PHE 24 Ca 0.02 -0.15 -0.05 0.00 -0.60 0.00 0.00 56.93 56.14 1jwm s PHE 24 Cb -0.00 -1.35 0.04 0.00 0.51 0.00 0.00 43.02 42.21 1jwm s PHE 24 CO -0.13 0.53 0.22 0.34 0.70 0.00 0.00 175.22 176.88 1jwm s ASP 25 N -3.04 -0.22 -0.19 1.36 -1.08 0.54 -1.83 116.67 112.21 1jwm s ASP 25 Ca 0.28 0.46 -0.02 0.00 -0.52 0.00 0.00 52.55 52.74 1jwm s ASP 25 Cb -0.09 0.37 -0.01 0.00 -1.46 0.00 0.00 42.92 41.73 1jwm s ASP 25 CO 0.19 -0.14 -0.08 0.12 0.52 0.00 0.00 175.17 175.77 1jwm s PHE 26 N 0.94 2.90 -0.90 -5.34 5.36 0.13 -0.39 117.98 120.69 1jwm s PHE 26 Ca -0.07 -0.90 -0.10 0.00 -0.96 0.00 0.00 56.93 54.90 1jwm s PHE 26 Cb -0.08 -2.01 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 1jwm s PHE 26 CO -0.06 -0.46 0.19 -0.25 -1.46 0.00 0.00 175.22 173.18 1jwm n ASP 27 N 4.36 -0.79 0.00 6.13 8.00 -0.68 0.73 116.55 134.31 1jwm n ASP 27 Ca -0.18 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1jwm n ASP 27 Cb 0.51 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1jwm n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jwm n GLY 28 N -1.87 2.31 3.57 0.44 0.00 -1.26 -5.02 105.19 103.35 1jwm n GLY 28 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1jwm n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jwm s ASP 29 N -3.10 4.63 0.02 1.61 1.01 0.23 -5.06 116.67 116.01 1jwm s ASP 29 Ca 0.00 -0.04 -0.30 0.00 0.71 0.00 0.00 52.55 52.91 1jwm s ASP 29 Cb 0.00 -1.25 -0.07 0.00 1.01 0.00 0.00 42.92 42.62 1jwm s ASP 29 CO 0.00 0.34 1.50 -0.70 0.21 0.00 0.00 175.17 176.51 1jwm s GLU 30 N -0.65 4.25 -0.15 8.23 2.12 -1.26 0.20 118.70 131.44 1jwm s GLU 30 Ca 0.10 2.10 -0.23 0.00 0.36 0.00 0.00 54.97 57.30 1jwm s GLU 30 Cb -0.11 -3.59 -0.24 0.00 0.26 0.00 0.00 34.13 30.44 1jwm s GLU 30 CO 0.02 -0.64 0.55 0.82 -0.54 0.00 0.00 175.26 175.47 1jwm h ILE 31 N 4.89 1.31 -2.12 -3.70 2.04 -1.72 -3.39 117.51 114.82 1jwm h ILE 31 Ca -0.40 -2.32 0.21 0.00 1.00 0.00 0.00 64.86 63.36 1jwm h ILE 31 Cb 1.19 2.84 -0.09 0.00 -0.74 0.00 0.00 36.82 40.01 1jwm h ILE 31 CO 0.91 0.54 0.57 0.72 0.00 0.00 0.00 178.15 180.89 1jwm s PHE 32 N -2.34 -0.11 0.07 1.37 -0.12 -1.24 -1.44 117.98 114.17 1jwm s PHE 32 Ca -0.22 -0.14 -0.11 0.00 -0.05 0.00 0.00 56.93 56.42 1jwm s PHE 32 Cb 0.02 0.61 0.01 0.00 -0.63 0.00 0.00 43.02 43.03 1jwm s PHE 32 CO 0.69 -0.68 0.24 -3.38 -0.05 0.00 0.00 175.22 172.03 1jwm s HIS 33 N -3.07 0.04 -0.19 3.49 -3.43 -0.74 -1.54 115.29 109.85 1jwm s HIS 33 Ca 0.12 -0.34 -0.08 0.00 -0.80 0.00 0.00 55.06 53.96 1jwm s HIS 33 Cb 0.00 0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1jwm s HIS 33 CO 0.00 -0.52 0.09 0.08 -2.00 0.00 0.00 174.74 172.39 1jwm s VAL 34 N -3.24 4.96 -0.33 -5.38 1.01 -0.59 -1.24 120.40 115.60 1jwm s VAL 34 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 1jwm s VAL 34 Cb 0.02 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1jwm s VAL 34 CO -0.08 0.44 1.95 -0.62 0.00 0.00 0.00 175.10 176.79 1jwm s ASP 35 N 0.48 5.65 0.58 3.32 -1.08 -1.02 -4.65 116.67 119.96 1jwm s ASP 35 Ca 0.05 1.39 0.28 0.00 -0.52 0.00 0.00 52.55 53.74 1jwm s ASP 35 Cb -0.12 -2.52 1.58 0.00 -1.46 0.00 0.00 42.92 40.40 1jwm s ASP 35 CO 0.00 -1.88 2.05 0.24 0.52 0.00 0.00 175.17 176.09 1jwm h MET 36 N 13.96 0.00 0.00 4.34 2.86 -1.91 0.71 114.93 134.88 1jwm h MET 36 Ca -0.35 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.20 1jwm h MET 36 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1jwm h MET 36 CO 1.03 0.00 -1.08 0.00 1.06 0.00 0.00 176.91 177.92 1jwm n ALA 37 N -2.37 0.77 0.30 6.32 0.00 -1.26 -4.45 120.51 119.82 1jwm n ALA 37 Ca 0.04 -0.69 0.17 0.00 0.00 0.00 0.00 53.44 52.96 1jwm n ALA 37 Cb 0.42 -0.02 0.73 0.00 0.00 0.00 0.00 19.45 20.58 1jwm n ALA 37 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jwm h LYS 38 N -1.00 0.00 -5.25 0.00 1.57 -1.97 -3.47 116.57 106.45 1jwm h LYS 38 Ca -0.14 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.40 1jwm h LYS 38 Cb 0.95 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.44 1jwm h LYS 38 CO -0.08 0.00 -0.77 1.63 -0.57 0.00 0.00 179.45 179.66 1jwm n LYS 39 N -2.94 -2.89 -3.69 3.15 5.02 0.24 -5.03 118.16 112.03 1jwm n LYS 39 Ca 0.00 0.79 -0.13 0.00 -2.02 0.00 0.00 58.31 56.95 1jwm n LYS 39 Cb 0.25 -5.48 -0.09 0.00 -0.02 0.00 0.00 35.03 29.70 1jwm n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1jwm s GLU 40 N -4.47 0.64 0.16 1.97 -1.05 -1.24 -4.51 118.70 110.19 1jwm s GLU 40 Ca 0.33 0.78 -0.32 0.00 -0.15 0.00 0.00 54.97 55.62 1jwm s GLU 40 Cb -0.04 0.29 -0.10 0.00 -0.44 0.00 0.00 34.13 33.84 1jwm s GLU 40 CO 0.67 -0.08 1.58 0.99 0.95 0.00 0.00 175.26 179.37 1jwm s THR 41 N 0.38 2.64 -0.14 1.83 2.01 -1.26 -2.43 115.64 118.67 1jwm s THR 41 Ca -0.01 0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.46 1jwm s THR 41 Cb -0.04 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.20 1jwm s THR 41 CO -0.00 0.03 -0.21 0.68 -0.69 0.00 0.00 174.62 174.43 1jwm s VAL 42 N 1.26 1.96 0.16 3.82 -7.23 -0.37 -4.97 120.40 115.04 1jwm s VAL 42 Ca 0.70 -0.92 -0.16 0.00 -1.81 0.00 0.00 61.98 59.80 1jwm s VAL 42 Cb -0.44 -1.75 -0.07 0.00 0.56 0.00 0.00 36.38 34.68 1jwm s VAL 42 CO 0.31 0.53 0.60 0.26 -0.31 0.00 0.00 175.10 176.49 1jwm s TRP 43 N 0.92 3.63 0.17 2.82 0.52 -1.26 -1.79 118.94 123.96 1jwm s TRP 43 Ca -0.05 1.17 -0.14 0.00 0.02 0.00 0.00 56.10 57.10 1jwm s TRP 43 Cb -0.15 -2.45 0.11 0.00 -1.15 0.00 0.00 33.47 29.82 1jwm s TRP 43 CO -0.04 0.41 1.80 -0.09 0.02 0.00 0.00 176.95 179.05 1jwm h ARG 44 N 3.58 0.51 -5.88 4.98 9.65 -1.45 -3.40 114.38 122.36 1jwm h ARG 44 Ca -0.48 -0.03 -0.68 0.00 -1.10 0.00 0.00 59.98 57.68 1jwm h ARG 44 Cb 1.19 -0.11 -0.28 0.00 -1.39 0.00 0.00 29.97 29.38 1jwm h ARG 44 CO 0.65 0.34 -0.82 -0.51 2.80 0.00 0.00 179.97 182.43 1jwm s LEU 45 N -10.24 2.43 0.27 3.80 1.43 -1.26 -5.03 118.68 110.07 1jwm s LEU 45 Ca -0.13 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1jwm s LEU 45 Cb 0.13 -1.49 0.60 0.00 0.03 0.00 0.00 46.19 45.46 1jwm s LEU 45 CO 0.73 0.25 1.66 -0.33 0.23 0.00 0.00 176.35 178.89 1jwm h GLU 46 N 6.06 0.22 -0.53 1.70 3.07 -1.99 -2.39 114.58 120.72 1jwm h GLU 46 Ca -0.34 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.62 1jwm h GLU 46 Cb 1.18 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.95 1jwm h GLU 46 CO 0.50 0.14 -0.04 1.05 -1.40 0.00 0.00 179.01 179.27 1jwm h GLU 47 N 0.22 0.08 -0.82 2.33 4.11 -1.96 -2.61 114.58 115.92 1jwm h GLU 47 Ca 0.49 -0.00 0.20 0.00 0.07 0.00 0.00 59.36 60.11 1jwm h GLU 47 Cb 0.93 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.04 1jwm h GLU 47 CO -0.61 0.05 0.25 0.74 0.07 0.00 0.00 179.01 179.51 1jwm h PHE 48 N 0.08 0.39 0.00 2.06 0.04 -1.83 0.61 116.94 118.29 1jwm h PHE 48 Ca 0.27 0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1jwm h PHE 48 Cb 0.41 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1jwm h PHE 48 CO -0.36 -0.11 0.07 0.41 -0.60 0.00 0.00 178.31 177.72 1jwm n GLY 49 N -1.36 -0.75 0.72 -1.45 0.00 -0.98 -0.35 105.19 101.02 1jwm n GLY 49 Ca 0.18 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.48 1jwm n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jwm n ARG 50 N -2.09 1.88 0.00 1.61 1.74 0.21 -4.39 116.66 115.62 1jwm n ARG 50 Ca -0.01 -1.45 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 1jwm n ARG 50 Cb 0.09 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1jwm n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jwm n PHE 51 N 0.71 0.00 -4.07 -1.55 3.72 0.52 -5.08 117.46 111.71 1jwm n PHE 51 Ca 0.14 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.44 1jwm n PHE 51 Cb 0.50 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.97 1jwm n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jwm s ALA 52 N -1.97 0.38 0.20 4.37 0.00 -0.79 -5.13 121.76 118.83 1jwm s ALA 52 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1jwm s ALA 52 Cb 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 1jwm s ALA 52 CO 0.00 -0.68 0.17 -1.54 0.00 0.00 0.00 175.76 173.71 1jwm s SER 53 N -3.05 0.13 -0.16 0.00 1.04 -1.26 -4.49 113.70 105.90 1jwm s SER 53 Ca 0.26 -1.31 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 1jwm s SER 53 Cb 0.04 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1jwm s SER 53 CO 0.07 -0.87 0.41 0.12 0.98 0.00 0.00 173.24 173.95 1jwm s PHE 54 N -4.13 -0.54 -1.11 5.02 5.36 -1.26 -5.07 117.98 116.26 1jwm s PHE 54 Ca 0.35 1.20 -0.22 0.00 -0.96 0.00 0.00 56.93 57.31 1jwm s PHE 54 Cb 0.06 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 42.98 1jwm s PHE 54 CO 0.10 -0.29 1.67 -2.00 -1.46 0.00 0.00 175.22 173.25 1jwm s GLU 55 N 0.88 3.43 0.32 10.12 2.12 -1.26 -4.73 118.70 129.57 1jwm s GLU 55 Ca -0.05 -1.27 0.09 0.00 0.36 0.00 0.00 54.97 54.10 1jwm s GLU 55 Cb -0.06 -5.36 0.90 0.00 0.26 0.00 0.00 34.13 29.88 1jwm s GLU 55 CO -0.07 -2.60 1.70 0.00 -0.54 0.00 0.00 175.26 173.75 1jwm h ALA 56 N 9.33 1.74 -0.86 6.30 0.00 -1.95 -0.80 119.26 133.02 1jwm h ALA 56 Ca 0.26 0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.51 1jwm h ALA 56 Cb 0.96 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1jwm h ALA 56 CO 1.38 -0.38 0.57 0.37 0.00 0.00 0.00 179.25 181.19 1jwm h GLN 57 N 0.45 0.41 0.00 0.00 5.75 -1.86 -1.33 115.11 118.53 1jwm h GLN 57 Ca 0.65 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 59.11 1jwm h GLN 57 Cb 1.31 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 1jwm h GLN 57 CO -0.53 0.27 -0.07 0.78 -2.65 0.00 0.00 178.83 176.63 1jwm h GLY 58 N 0.42 0.00 1.01 2.39 0.00 -1.54 -3.16 103.07 102.19 1jwm h GLY 58 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1jwm h GLY 58 CO -0.16 0.00 0.21 0.00 0.00 0.00 0.00 176.54 176.59 1jwm h ALA 59 N 1.93 0.80 -0.38 3.60 0.00 -1.38 -2.62 119.26 121.22 1jwm h ALA 59 Ca -0.00 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1jwm h ALA 59 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1jwm h ALA 59 CO 0.01 0.45 0.34 -0.07 0.00 0.00 0.00 179.25 179.98 1jwm h LEU 60 N 0.87 0.00 -0.49 0.00 -0.00 -1.71 0.65 115.31 114.63 1jwm h LEU 60 Ca 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.98 1jwm h LEU 60 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 1jwm h LEU 60 CO -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 178.44 178.34 1jwm h ALA 61 N 1.68 0.68 -0.66 1.53 0.00 -1.64 -1.90 119.26 118.94 1jwm h ALA 61 Ca 0.18 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1jwm h ALA 61 Cb 0.86 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1jwm h ALA 61 CO -0.00 0.57 0.18 -0.91 0.00 0.00 0.00 179.25 179.09 1jwm h ASN 62 N 0.79 0.97 0.25 0.00 4.21 -0.96 -2.53 115.58 118.31 1jwm h ASN 62 Ca 0.13 -0.19 -0.05 0.00 1.21 0.00 0.00 56.30 57.40 1jwm h ASN 62 Cb 0.65 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 1jwm h ASN 62 CO 0.04 0.93 -0.22 0.40 -1.29 0.00 0.00 177.43 177.29 1jwm h ILE 63 N 0.99 1.11 -0.00 2.81 1.08 -0.96 0.52 117.51 123.05 1jwm h ILE 63 Ca 0.21 -0.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1jwm h ILE 63 Cb 0.32 1.43 -0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1jwm h ILE 63 CO -0.00 0.22 -0.00 0.00 -0.69 0.00 0.00 178.15 177.67 1jwm h ALA 64 N 1.78 0.00 -0.90 1.87 0.00 -0.97 -1.35 119.26 119.69 1jwm h ALA 64 Ca -0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1jwm h ALA 64 Cb 0.41 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1jwm h ALA 64 CO 0.03 -0.22 0.59 0.28 0.00 0.00 0.00 179.25 179.93 1jwm h VAL 65 N -0.55 1.17 -0.26 0.00 2.07 -1.05 -1.98 116.25 115.66 1jwm h VAL 65 Ca 0.00 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1jwm h VAL 65 Cb 0.55 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1jwm h VAL 65 CO 0.00 0.21 0.07 0.44 0.02 0.00 0.00 177.57 178.31 1jwm h ASP 66 N 1.15 0.05 0.21 0.57 3.32 0.17 -1.19 116.42 120.71 1jwm h ASP 66 Ca 0.35 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.45 1jwm h ASP 66 Cb -0.03 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1jwm h ASP 66 CO -0.11 0.06 -0.34 0.50 -1.72 0.00 0.00 179.24 177.63 1jwm h LYS 67 N 0.17 -0.60 -0.36 3.56 3.64 -0.59 0.21 116.57 122.60 1jwm h LYS 67 Ca 0.12 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1jwm h LYS 67 Cb 0.10 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 1jwm h LYS 67 CO -0.14 -0.40 -0.37 0.00 -2.27 0.00 0.00 179.45 176.27 1jwm h ALA 68 N -0.06 -0.31 -0.78 5.00 0.00 -1.16 0.17 119.26 122.11 1jwm h ALA 68 Ca 0.01 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1jwm h ALA 68 Cb 0.62 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 1jwm h ALA 68 CO -0.14 -0.79 0.36 -0.91 0.00 0.00 0.00 179.25 177.76 1jwm h ASN 69 N -0.31 0.39 -0.59 0.00 2.35 -0.81 -0.47 115.58 116.15 1jwm h ASN 69 Ca 0.15 0.09 0.08 0.00 -0.55 0.00 0.00 56.30 56.07 1jwm h ASN 69 Cb 0.56 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.91 1jwm h ASN 69 CO -0.53 0.17 0.24 0.25 -1.65 0.00 0.00 177.43 175.92 1jwm h LEU 70 N 0.53 0.28 -1.10 1.61 5.85 0.14 0.47 115.31 123.08 1jwm h LEU 70 Ca 0.42 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.24 1jwm h LEU 70 Cb 0.59 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1jwm h LEU 70 CO -0.36 0.17 0.61 -0.33 -0.34 0.00 0.00 178.44 178.19 1jwm h GLU 71 N 0.44 1.13 -0.24 1.25 4.39 0.18 0.27 114.58 122.00 1jwm h GLU 71 Ca 0.29 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 1jwm h GLU 71 Cb 0.31 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1jwm h GLU 71 CO -0.26 0.75 -0.04 0.82 -1.16 0.00 0.00 179.01 179.12 1jwm h ILE 72 N 1.17 1.28 -0.21 3.13 2.04 -0.25 -0.88 117.51 123.80 1jwm h ILE 72 Ca 0.37 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 1jwm h ILE 72 Cb 0.00 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1jwm h ILE 72 CO -0.11 0.32 -0.12 0.24 0.00 0.00 0.00 178.15 178.47 1jwm h MET 73 N 0.20 0.45 -0.72 2.37 2.86 -0.67 -0.89 114.93 118.53 1jwm h MET 73 Ca 0.06 -0.21 0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1jwm h MET 73 Cb 0.49 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 1jwm h MET 73 CO 0.02 0.75 0.37 1.15 1.06 0.00 0.00 176.91 180.26 1jwm h THR 74 N 0.14 0.86 -0.17 2.22 2.02 -0.44 -0.37 112.91 117.16 1jwm h THR 74 Ca 0.04 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1jwm h THR 74 Cb 0.63 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1jwm h THR 74 CO 0.03 0.11 -0.08 0.50 0.37 0.00 0.00 175.52 176.46 1jwm h LYS 75 N 0.63 0.35 0.00 6.66 3.64 -0.98 0.12 116.57 126.99 1jwm h LYS 75 Ca 0.35 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1jwm h LYS 75 Cb 0.36 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1jwm h LYS 75 CO -0.26 0.66 0.00 2.89 -2.27 0.00 0.00 179.45 180.47 1jwm n ARG 76 N -4.62 0.19 -0.10 1.90 1.85 -0.35 -1.92 116.66 113.62 1jwm n ARG 76 Ca -0.05 0.25 0.05 0.00 -1.00 0.00 0.00 57.85 57.10 1jwm n ARG 76 Cb 0.30 -1.76 0.20 0.00 -1.05 0.00 0.00 32.46 30.15 1jwm n ARG 76 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1jwm n SER 77 N -2.10 1.16 -3.28 2.89 3.41 -0.18 -4.87 113.62 110.64 1jwm n SER 77 Ca 0.05 -1.89 -0.16 0.00 -0.26 0.00 0.00 58.87 56.61 1jwm n SER 77 Cb 0.34 -0.13 0.08 0.00 -0.26 0.00 0.00 64.21 64.24 1jwm n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jwm n ASN 78 N 0.09 -3.68 -4.03 4.04 4.13 -0.81 -3.09 115.26 111.91 1jwm n ASN 78 Ca 0.10 -0.63 -0.33 0.00 1.68 0.00 0.00 54.58 55.40 1jwm n ASN 78 Cb 0.20 -4.98 -0.03 0.00 -1.54 0.00 0.00 39.78 33.43 1jwm n ASN 78 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1jwm n TYR 79 N -3.69 -1.10 -2.86 3.10 4.02 0.42 -4.87 117.16 112.18 1jwm n TYR 79 Ca -0.20 0.27 -0.43 0.00 -0.01 0.00 0.00 57.90 57.54 1jwm n TYR 79 Cb 0.65 -2.32 -0.04 0.00 -0.02 0.00 0.00 39.34 37.60 1jwm n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1jwm s THR 80 N -3.97 4.56 0.69 -0.72 2.01 -1.18 -5.04 115.64 112.00 1jwm s THR 80 Ca 0.21 0.83 -0.11 0.00 0.31 0.00 0.00 61.69 62.93 1jwm s THR 80 Cb -0.12 -4.36 0.00 0.00 0.01 0.00 0.00 72.50 68.04 1jwm s THR 80 CO 0.83 -0.68 1.06 -2.16 -0.69 0.00 0.00 174.62 172.98 1jwm s PRO 81 N 3.52 2.96 0.36 4.92 0.04 -1.26 -5.01 135.00 140.53 1jwm s PRO 81 Ca 0.35 0.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 1jwm s PRO 81 Cb -0.11 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1jwm s PRO 81 CO 0.22 -1.08 1.33 -1.50 0.04 0.00 0.00 177.00 176.01 1jwm s ILE 82 N -2.98 2.60 -0.23 0.56 1.10 -1.26 -4.98 121.20 116.01 1jwm s ILE 82 Ca 0.59 0.59 -0.22 0.00 -0.51 0.00 0.00 60.65 61.10 1jwm s ILE 82 Cb -0.14 -3.37 -0.02 0.00 0.15 0.00 0.00 42.46 39.08 1jwm s ILE 82 CO 0.53 0.13 0.70 -0.89 -2.11 0.00 0.00 174.94 173.30 1jwm s THR 83 N -1.17 4.94 0.40 4.00 2.01 -1.26 -5.01 115.64 119.55 1jwm s THR 83 Ca 0.52 1.32 -0.27 0.00 0.31 0.00 0.00 61.69 63.57 1jwm s THR 83 Cb -0.40 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 1jwm s THR 83 CO 0.53 0.02 1.41 0.20 -0.69 0.00 0.00 174.62 176.09 1jwm s ASN 84 N 1.33 6.22 -0.13 3.53 0.01 -1.26 -4.75 114.94 119.89 1jwm s ASN 84 Ca 0.30 2.88 -0.01 0.00 -0.71 0.00 0.00 52.86 55.32 1jwm s ASN 84 Cb -0.16 -2.65 0.04 0.00 0.41 0.00 0.00 41.25 38.89 1jwm s ASN 84 CO 0.09 -0.94 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.03 1jwm s VAL 85 N -1.18 0.77 0.45 1.60 1.01 -0.32 -4.89 120.40 117.84 1jwm s VAL 85 Ca 0.56 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 1jwm s VAL 85 Cb -0.43 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.91 1jwm s VAL 85 CO 0.57 0.16 1.26 -2.16 0.00 0.00 0.00 175.10 174.92 1jwm s PRO 86 N 1.79 3.74 0.30 2.72 0.04 -1.26 -2.17 135.00 140.15 1jwm s PRO 86 Ca 0.03 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 1jwm s PRO 86 Cb -0.14 -2.54 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 1jwm s PRO 86 CO -0.07 -0.64 1.01 -1.25 0.04 0.00 0.00 177.00 176.09 1jwm s PRO 87 N -2.52 4.62 -0.16 0.56 0.04 -1.26 -4.52 135.00 131.76 1jwm s PRO 87 Ca 0.62 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 63.02 1jwm s PRO 87 Cb -0.35 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1jwm s PRO 87 CO 0.43 0.26 0.63 -1.21 0.04 0.00 0.00 177.00 177.15 1jwm s GLU 88 N -1.65 4.28 -0.09 4.56 2.02 0.34 -4.88 118.70 123.28 1jwm s GLU 88 Ca 0.47 0.66 0.01 0.00 0.02 0.00 0.00 54.97 56.13 1jwm s GLU 88 Cb -0.26 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1jwm s GLU 88 CO 0.33 -0.12 -0.13 0.08 0.02 0.00 0.00 175.26 175.44 1jwm s VAL 89 N 1.48 3.13 0.02 2.63 1.01 -1.26 -1.37 120.40 126.04 1jwm s VAL 89 Ca 0.30 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1jwm s VAL 89 Cb -0.16 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1jwm s VAL 89 CO 0.12 0.56 -0.04 -0.89 0.00 0.00 0.00 175.10 174.85 1jwm s THR 90 N -0.19 0.23 -0.17 3.92 2.01 -0.81 -5.00 115.64 115.63 1jwm s THR 90 Ca 0.00 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1jwm s THR 90 Cb -0.13 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.12 1jwm s THR 90 CO 0.03 -0.23 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.92 1jwm s VAL 91 N -0.80 1.61 0.29 3.82 1.01 -1.26 -0.05 120.40 125.02 1jwm s VAL 91 Ca -0.07 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1jwm s VAL 91 Cb -0.06 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 1jwm s VAL 91 CO -0.00 0.34 0.06 -0.76 0.00 0.00 0.00 175.10 174.74 1jwm s LEU 92 N 1.44 2.03 0.16 3.92 1.43 -0.43 -4.96 118.68 122.27 1jwm s LEU 92 Ca 0.02 -1.35 0.02 0.00 -1.03 0.00 0.00 54.13 51.79 1jwm s LEU 92 Cb -0.14 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1jwm s LEU 92 CO -0.10 -0.62 0.30 0.42 0.23 0.00 0.00 176.35 176.58 1jwm s THR 93 N -3.44 5.31 0.21 5.49 -4.23 -1.26 0.37 115.64 118.08 1jwm s THR 93 Ca 0.36 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 60.15 1jwm s THR 93 Cb 0.08 -3.75 0.08 0.00 1.34 0.00 0.00 72.50 70.25 1jwm s THR 93 CO 0.14 -0.11 1.67 -1.13 -0.54 0.00 0.00 174.62 174.65 1jwm h ASN 94 N 2.08 0.96 -5.14 3.99 -1.24 -1.46 -3.45 115.58 111.32 1jwm h ASN 94 Ca -0.48 -0.27 -0.13 0.00 0.71 0.00 0.00 56.30 56.13 1jwm h ASN 94 Cb 1.20 -0.26 -0.17 0.00 0.73 0.00 0.00 38.32 39.82 1jwm h ASN 94 CO 0.68 1.02 -0.60 -0.94 -1.29 0.00 0.00 177.43 176.30 1jwm s SER 95 N -6.61 0.31 -0.34 1.15 1.04 -1.26 -5.04 113.70 102.95 1jwm s SER 95 Ca -0.11 -0.74 -0.42 0.00 0.48 0.00 0.00 55.95 55.16 1jwm s SER 95 Cb 0.14 0.21 -0.17 0.00 0.10 0.00 0.00 66.02 66.29 1jwm s SER 95 CO 0.84 -0.53 1.67 -0.81 0.98 0.00 0.00 173.24 175.39 1jwm n PRO 96 N 0.55 0.73 -2.16 4.02 -0.04 -1.26 -4.87 135.00 131.98 1jwm n PRO 96 Ca -0.17 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.16 1jwm n PRO 96 Cb 0.59 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 1jwm n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jwm s VAL 97 N 3.21 2.83 -0.15 0.52 0.11 -1.26 -5.04 120.40 120.61 1jwm s VAL 97 Ca 1.00 0.77 -0.09 0.00 -2.93 0.00 0.00 61.98 60.73 1jwm s VAL 97 Cb -1.22 -3.47 0.05 0.00 -1.53 0.00 0.00 36.38 30.22 1jwm s VAL 97 CO 0.71 0.14 0.38 -1.61 -3.33 0.00 0.00 175.10 171.38 1jwm s GLU 98 N -2.03 0.37 0.11 1.54 2.02 -1.26 -4.99 118.70 114.46 1jwm s GLU 98 Ca 0.53 0.69 -0.26 0.00 0.02 0.00 0.00 54.97 55.96 1jwm s GLU 98 Cb -0.37 0.00 -0.15 0.00 0.10 0.00 0.00 34.13 33.72 1jwm s GLU 98 CO 0.48 -0.14 0.56 1.28 0.02 0.00 0.00 175.26 177.46 1jwm n LEU 99 N 3.99 -0.70 0.00 1.80 4.77 -1.26 -0.56 117.00 125.04 1jwm n LEU 99 Ca -0.22 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1jwm n LEU 99 Cb 0.55 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1jwm n LEU 99 CO 0.10 -2.15 0.00 0.54 -1.33 0.00 0.00 177.39 174.55 1jwm n ARG 100 N 0.94 -0.01 -2.95 3.23 1.74 -0.59 -4.86 116.66 114.17 1jwm n ARG 100 Ca 0.15 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 1jwm n ARG 100 Cb 0.16 -2.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.06 1jwm n ARG 100 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jwm s GLU 101 N -0.43 3.33 0.18 5.56 0.41 0.27 -4.82 118.70 123.20 1jwm s GLU 101 Ca 0.00 -0.29 -0.28 0.00 -0.41 0.00 0.00 54.97 53.99 1jwm s GLU 101 Cb 0.00 -4.01 -0.17 0.00 -1.78 0.00 0.00 34.13 28.18 1jwm s GLU 101 CO 0.00 -1.27 0.55 -2.30 -0.49 0.00 0.00 175.26 171.74 1jwm n PRO 102 N 6.91 0.00 -3.96 0.39 -0.02 -1.26 -4.46 135.00 132.59 1jwm n PRO 102 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 1jwm n PRO 102 Cb 0.47 -1.01 -0.01 0.00 -0.02 0.00 0.00 33.50 32.93 1jwm n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1jwm s ASN 103 N -0.88 0.46 -0.02 2.55 3.84 -0.93 -4.99 114.94 114.98 1jwm s ASN 103 Ca 0.64 -1.29 0.02 0.00 0.21 0.00 0.00 52.86 52.44 1jwm s ASN 103 Cb -0.93 0.74 0.00 0.00 -0.55 0.00 0.00 41.25 40.52 1jwm s ASN 103 CO 0.54 -1.45 -0.07 -0.69 -2.79 0.00 0.00 177.10 172.64 1jwm s VAL 104 N -2.84 0.59 -0.14 -5.21 1.01 -1.26 -1.57 120.40 110.98 1jwm s VAL 104 Ca 0.23 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1jwm s VAL 104 Cb -0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1jwm s VAL 104 CO 0.16 0.19 0.67 -0.76 0.00 0.00 0.00 175.10 175.35 1jwm s LEU 105 N 0.17 4.22 -0.22 3.92 1.43 0.14 -1.02 118.68 127.31 1jwm s LEU 105 Ca -0.02 1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 54.05 1jwm s LEU 105 Cb -0.07 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.17 1jwm s LEU 105 CO -0.00 -0.21 -0.07 -0.63 0.23 0.00 0.00 176.35 175.67 1jwm s ILE 106 N 1.46 3.09 -0.43 -0.59 1.01 0.16 -1.09 121.20 124.80 1jwm s ILE 106 Ca 0.33 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1jwm s ILE 106 Cb -0.16 -2.43 0.04 0.00 0.01 0.00 0.00 42.46 39.91 1jwm s ILE 106 CO 0.13 0.39 0.35 0.00 0.00 0.00 0.00 174.94 175.81 1jwm s PHE 108 N 1.73 2.96 -0.30 0.00 2.19 0.92 -2.10 117.98 123.39 1jwm s PHE 108 Ca 0.06 -1.04 -0.18 0.00 0.33 0.00 0.00 56.93 56.10 1jwm s PHE 108 Cb -0.20 -4.22 -0.02 0.00 -1.31 0.00 0.00 43.02 37.27 1jwm s PHE 108 CO 0.09 -1.49 0.52 0.42 1.83 0.00 0.00 175.22 176.60 1jwm s ILE 109 N 3.07 5.04 0.20 3.12 1.09 -0.36 -1.93 121.20 131.44 1jwm s ILE 109 Ca 0.24 0.67 0.00 0.00 -1.10 0.00 0.00 60.65 60.46 1jwm s ILE 109 Cb -0.13 -3.89 -0.05 0.00 -1.06 0.00 0.00 42.46 37.33 1jwm s ILE 109 CO 0.00 -0.05 0.08 -0.62 -0.10 0.00 0.00 174.94 174.25 1jwm s ASP 110 N 1.65 0.78 -1.13 3.58 2.15 -0.47 0.36 116.67 123.59 1jwm s ASP 110 Ca 0.20 -1.31 -0.21 0.00 0.43 0.00 0.00 52.55 51.66 1jwm s ASP 110 Cb -0.15 0.23 -0.01 0.00 -0.30 0.00 0.00 42.92 42.69 1jwm s ASP 110 CO 0.11 -0.72 0.79 0.29 -0.17 0.00 0.00 175.17 175.47 1jwm n LYS 111 N -0.30 -1.18 -4.24 4.34 5.02 0.33 -0.50 118.16 121.62 1jwm n LYS 111 Ca -0.02 0.46 -0.17 0.00 -2.02 0.00 0.00 58.31 56.56 1jwm n LYS 111 Cb 0.65 -4.07 -0.08 0.00 -0.02 0.00 0.00 35.03 31.51 1jwm n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1jwm s PHE 112 N -3.45 1.52 0.00 2.13 -0.12 -1.00 -4.29 117.98 112.77 1jwm s PHE 112 Ca 0.47 -1.54 0.00 0.00 -0.05 0.00 0.00 56.93 55.81 1jwm s PHE 112 Cb -0.17 -0.59 0.00 0.00 -0.63 0.00 0.00 43.02 41.63 1jwm s PHE 112 CO 0.86 -0.86 0.00 -2.37 -0.05 0.00 0.00 175.22 172.80 1jwm n THR 113 N -0.54 0.00 -0.72 -4.49 5.66 -0.92 0.39 114.28 113.66 1jwm n THR 113 Ca 0.05 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.76 1jwm n THR 113 Cb 0.63 0.00 0.25 0.00 -1.55 0.00 0.00 70.33 69.66 1jwm n THR 113 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1jwm s PRO 114 N -2.00 -1.37 -1.30 1.09 0.04 -1.26 -1.17 135.00 129.03 1jwm s PRO 114 Ca 0.00 0.38 -0.13 0.00 0.04 0.00 0.00 61.00 61.28 1jwm s PRO 114 Cb 0.00 -1.54 0.13 0.00 0.04 0.00 0.00 34.50 33.13 1jwm s PRO 114 CO 0.00 -3.91 1.78 -0.35 0.04 0.00 0.00 177.00 174.57 1jwm n PRO 115 N -4.98 3.32 -3.70 0.56 -0.04 -1.26 -4.82 135.00 124.09 1jwm n PRO 115 Ca 0.08 -3.40 -0.12 0.00 -0.04 0.00 0.00 63.50 60.02 1jwm n PRO 115 Cb 0.58 -3.14 -0.12 0.00 -0.04 0.00 0.00 33.50 30.77 1jwm n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jwm s VAL 116 N 2.01 -0.20 -0.01 0.52 1.01 -1.26 -5.05 120.40 117.43 1jwm s VAL 116 Ca 0.45 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 1jwm s VAL 116 Cb 0.06 -0.48 0.07 0.00 0.00 0.00 0.00 36.38 36.02 1jwm s VAL 116 CO 0.00 0.07 0.63 0.54 0.00 0.00 0.00 175.10 176.34 1jwm s VAL 117 N 1.73 0.01 -0.18 2.92 0.11 -1.26 -4.79 120.40 118.93 1jwm s VAL 117 Ca -0.06 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1jwm s VAL 117 Cb -0.10 -0.97 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1jwm s VAL 117 CO -0.10 -0.03 -0.18 0.21 -3.33 0.00 0.00 175.10 171.67 1jwm s ASN 118 N -1.51 3.28 -0.03 3.54 2.47 -0.89 -4.98 114.94 116.82 1jwm s ASN 118 Ca -0.09 -0.61 0.07 0.00 0.42 0.00 0.00 52.86 52.65 1jwm s ASN 118 Cb -0.01 -1.51 -0.02 0.00 -1.45 0.00 0.00 41.25 38.27 1jwm s ASN 118 CO 0.05 0.00 -0.25 -0.69 -3.72 0.00 0.00 177.10 172.49 1jwm s VAL 119 N 1.29 2.01 -0.02 -5.21 1.01 -1.26 -0.26 120.40 117.96 1jwm s VAL 119 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1jwm s VAL 119 Cb -0.13 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1jwm s VAL 119 CO -0.11 0.56 0.06 -0.89 0.00 0.00 0.00 175.10 174.72 1jwm s THR 120 N -0.42 -0.02 0.00 3.92 2.01 0.17 -4.96 115.64 116.33 1jwm s THR 120 Ca 0.05 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 1jwm s THR 120 Cb -0.11 -0.10 -0.06 0.00 0.01 0.00 0.00 72.50 72.24 1jwm s THR 120 CO 0.01 0.03 0.39 0.26 -0.69 0.00 0.00 174.62 174.62 1jwm s TRP 121 N 0.45 3.71 -0.06 4.92 0.52 -1.26 0.98 118.94 128.19 1jwm s TRP 121 Ca -0.04 0.94 0.03 0.00 0.02 0.00 0.00 56.10 57.06 1jwm s TRP 121 Cb -0.05 -2.25 0.01 0.00 -1.15 0.00 0.00 33.47 30.02 1jwm s TRP 121 CO -0.02 0.64 -0.14 -0.51 0.02 0.00 0.00 176.95 176.94 1jwm s LEU 122 N -1.16 1.78 -0.24 2.99 1.43 0.58 -0.77 118.68 123.29 1jwm s LEU 122 Ca 0.24 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1jwm s LEU 122 Cb -0.16 -0.89 0.04 0.00 0.03 0.00 0.00 46.19 45.21 1jwm s LEU 122 CO 0.13 0.09 -0.10 -0.60 0.23 0.00 0.00 176.35 176.10 1jwm s ARG 123 N 0.38 2.66 -1.10 1.70 3.52 0.44 -1.12 118.95 125.44 1jwm s ARG 123 Ca -0.10 -1.08 -0.23 0.00 -0.13 0.00 0.00 55.73 54.20 1jwm s ARG 123 Cb -0.14 -2.88 0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1jwm s ARG 123 CO 0.03 -0.42 0.71 0.09 -0.81 0.00 0.00 175.30 174.90 1jwm n ASN 124 N 4.59 -4.83 0.00 -2.12 3.02 -0.14 -0.75 115.26 115.02 1jwm n ASN 124 Ca -0.16 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1jwm n ASN 124 Cb 0.46 -2.39 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 1jwm n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jwm n GLY 125 N -1.87 1.16 3.32 7.41 0.00 -1.26 -4.98 105.19 108.98 1jwm n GLY 125 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1jwm n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jwm s LYS 126 N -0.19 2.14 0.37 1.61 1.02 0.07 -5.06 119.74 119.70 1jwm s LYS 126 Ca 0.00 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 54.79 1jwm s LYS 126 Cb 0.00 -2.06 -0.11 0.00 -0.52 0.00 0.00 37.83 35.14 1jwm s LYS 126 CO 0.00 0.56 1.50 -1.25 -0.92 0.00 0.00 175.35 175.24 1jwm s PRO 127 N -0.62 4.11 -0.06 -1.68 0.04 -1.26 0.17 135.00 135.70 1jwm s PRO 127 Ca 0.10 2.58 0.03 0.00 0.04 0.00 0.00 61.00 63.76 1jwm s PRO 127 Cb -0.10 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 1jwm s PRO 127 CO -0.01 -0.55 -0.16 0.08 0.04 0.00 0.00 177.00 176.40 1jwm s VAL 128 N -1.00 2.85 -0.02 -0.36 1.01 0.05 -4.80 120.40 118.13 1jwm s VAL 128 Ca 0.54 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1jwm s VAL 128 Cb -0.47 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1jwm s VAL 128 CO 0.62 0.57 -0.02 0.41 0.00 0.00 0.00 175.10 176.68 1jwm n THR 129 N 2.66 0.09 -1.67 3.92 -1.04 -1.26 -4.48 114.28 112.50 1jwm n THR 129 Ca -0.17 -0.03 -0.48 0.00 -2.04 0.00 0.00 64.05 61.33 1jwm n THR 129 Cb 0.52 -0.91 -0.05 0.00 -1.82 0.00 0.00 70.33 68.08 1jwm n THR 129 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jwm n THR 130 N -2.74 0.22 -0.22 12.58 -2.24 -1.26 -2.22 114.28 118.39 1jwm n THR 130 Ca -0.03 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jwm n THR 130 Cb 0.53 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1jwm n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jwm n GLY 131 N 3.72 2.32 3.77 3.38 0.00 -1.26 -4.76 105.19 112.36 1jwm n GLY 131 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1jwm n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jwm s VAL 132 N -3.14 3.16 -0.01 1.61 -7.23 -0.94 -4.30 120.40 109.54 1jwm s VAL 132 Ca 0.00 1.11 -0.08 0.00 -1.81 0.00 0.00 61.98 61.20 1jwm s VAL 132 Cb 0.00 -3.69 0.01 0.00 0.56 0.00 0.00 36.38 33.26 1jwm s VAL 132 CO 0.00 0.22 0.17 -0.94 -0.31 0.00 0.00 175.10 174.24 1jwm s SER 133 N -0.83 -0.03 0.11 4.85 1.04 -0.82 -4.98 113.70 113.04 1jwm s SER 133 Ca 0.49 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 1jwm s SER 133 Cb -0.34 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1jwm s SER 133 CO 0.44 -0.36 0.01 -1.83 0.98 0.00 0.00 173.24 172.49 1jwm s GLU 134 N -1.25 0.84 0.40 4.02 -1.05 -1.26 0.97 118.70 121.36 1jwm s GLU 134 Ca -0.13 -1.37 0.08 0.00 -0.15 0.00 0.00 54.97 53.39 1jwm s GLU 134 Cb -0.07 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.75 1jwm s GLU 134 CO 0.02 -0.18 0.35 0.95 0.95 0.00 0.00 175.26 177.34 1jwm s THR 135 N -3.94 2.82 0.45 1.83 -4.23 -0.29 -5.01 115.64 107.28 1jwm s THR 135 Ca 0.18 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 59.25 1jwm s THR 135 Cb 0.07 -3.03 0.10 0.00 1.34 0.00 0.00 72.50 70.98 1jwm s THR 135 CO -0.02 -0.04 0.61 1.33 -0.54 0.00 0.00 174.62 175.96 1jwm n VAL 136 N -1.49 0.00 -2.56 2.29 0.24 -1.26 -4.64 118.33 110.92 1jwm n VAL 136 Ca 0.02 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.39 1jwm n VAL 136 Cb 0.61 -1.66 -0.04 0.00 -1.47 0.00 0.00 33.84 31.28 1jwm n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1jwm s PHE 137 N -2.23 3.59 -0.11 6.34 0.08 -1.26 -4.68 117.98 119.71 1jwm s PHE 137 Ca 0.35 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 58.93 1jwm s PHE 137 Cb -0.01 -3.26 -0.03 0.00 -0.57 0.00 0.00 43.02 39.15 1jwm s PHE 137 CO 0.25 -0.58 -0.00 -0.51 -0.10 0.00 0.00 175.22 174.27 1jwm s LEU 138 N 0.43 3.52 0.82 -0.37 1.43 -0.48 -4.95 118.68 119.09 1jwm s LEU 138 Ca 0.53 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.60 1jwm s LEU 138 Cb -0.27 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.22 1jwm s LEU 138 CO 0.31 0.32 1.11 -2.16 0.23 0.00 0.00 176.35 176.16 1jwm s PRO 139 N -0.53 1.84 0.03 1.29 0.04 -1.26 -1.60 135.00 134.81 1jwm s PRO 139 Ca 0.09 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 1jwm s PRO 139 Cb -0.12 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1jwm s PRO 139 CO 0.02 -1.97 -0.03 1.03 0.04 0.00 0.00 177.00 176.09 1jwm s ARG 140 N -4.83 0.44 0.41 4.56 0.52 -1.16 -4.74 118.95 114.15 1jwm s ARG 140 Ca 0.63 -0.87 0.09 0.00 -0.52 0.00 0.00 55.73 55.05 1jwm s ARG 140 Cb -0.19 0.14 0.89 0.00 0.52 0.00 0.00 34.95 36.31 1jwm s ARG 140 CO 0.57 -0.07 2.04 0.93 0.02 0.00 0.00 175.30 178.78 1jwm h GLU 141 N 4.02 0.51 -0.06 3.54 3.07 -1.98 0.09 114.58 123.78 1jwm h GLU 141 Ca -0.33 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1jwm h GLU 141 Cb 1.18 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1jwm h GLU 141 CO 0.51 0.34 0.00 -0.40 -1.40 0.00 0.00 179.01 178.06 1jwm n ASP 142 N -4.47 0.39 -0.03 1.42 5.68 -1.26 -4.88 116.55 113.39 1jwm n ASP 142 Ca 0.05 -1.82 -0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1jwm n ASP 142 Cb 0.13 -0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1jwm n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1jwm n HIS 143 N -0.38 0.00 -2.14 2.11 8.25 0.02 -5.00 115.22 118.09 1jwm n HIS 143 Ca 0.07 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1jwm n HIS 143 Cb 0.08 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.09 1jwm n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jwm n LEU 144 N -0.04 0.00 -4.45 2.41 4.77 -1.26 -4.85 117.00 113.56 1jwm n LEU 144 Ca -0.00 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1jwm n LEU 144 Cb 0.27 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1jwm n LEU 144 CO 0.01 -0.51 -0.28 -0.36 -1.33 0.00 0.00 177.39 174.92 1jwm s PHE 145 N 0.10 1.99 0.20 -1.77 0.40 0.16 -3.01 117.98 116.04 1jwm s PHE 145 Ca 0.01 -0.91 0.05 0.00 -0.60 0.00 0.00 56.93 55.47 1jwm s PHE 145 Cb -0.00 -1.29 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 1jwm s PHE 145 CO 0.00 0.07 -0.06 1.03 0.70 0.00 0.00 175.22 176.96 1jwm s ARG 146 N -3.86 1.25 -0.12 0.44 0.52 -0.63 -0.51 118.95 116.04 1jwm s ARG 146 Ca 0.35 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 53.67 1jwm s ARG 146 Cb 0.08 -0.72 0.12 0.00 0.52 0.00 0.00 34.95 34.95 1jwm s ARG 146 CO 0.15 0.01 0.95 0.21 0.02 0.00 0.00 175.30 176.64 1jwm s LYS 147 N -3.78 0.67 -0.02 3.54 2.20 0.16 -1.38 119.74 121.12 1jwm s LYS 147 Ca 0.23 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.95 1jwm s LYS 147 Cb 0.04 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1jwm s LYS 147 CO 0.06 -0.23 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.65 1jwm s PHE 148 N -1.48 1.04 0.09 4.03 0.40 -1.26 -1.22 117.98 119.58 1jwm s PHE 148 Ca -0.01 -0.23 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1jwm s PHE 148 Cb -0.01 -0.70 -0.03 0.00 0.51 0.00 0.00 43.02 42.79 1jwm s PHE 148 CO 0.01 -0.07 -0.25 -1.01 0.70 0.00 0.00 175.22 174.60 1jwm s HIS 149 N -0.03 2.19 0.02 0.36 3.76 -0.89 -1.14 115.29 119.55 1jwm s HIS 149 Ca 0.00 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.56 1jwm s HIS 149 Cb -0.07 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.36 1jwm s HIS 149 CO 0.00 0.22 -0.14 0.71 -0.85 0.00 0.00 174.74 174.69 1jwm s TYR 150 N -0.96 1.22 -0.18 1.40 1.51 0.27 -1.08 117.35 119.54 1jwm s TYR 150 Ca 0.12 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1jwm s TYR 150 Cb -0.10 -0.75 0.06 0.00 -0.11 0.00 0.00 41.96 41.06 1jwm s TYR 150 CO 0.04 0.01 0.07 -1.17 -1.11 0.00 0.00 175.55 173.39 1jwm s LEU 151 N -0.82 0.70 0.19 -1.29 2.96 -0.25 -1.94 118.68 118.22 1jwm s LEU 151 Ca 0.03 -0.69 -0.30 0.00 -0.22 0.00 0.00 54.13 52.95 1jwm s LEU 151 Cb -0.07 -0.39 -0.08 0.00 0.50 0.00 0.00 46.19 46.15 1jwm s LEU 151 CO 0.01 -0.33 1.05 -2.84 -1.32 0.00 0.00 176.35 172.91 1jwm s PRO 152 N 2.02 4.66 0.18 0.98 0.02 -1.26 0.25 135.00 141.85 1jwm s PRO 152 Ca 0.01 1.64 -0.14 0.00 0.02 0.00 0.00 61.00 62.53 1jwm s PRO 152 Cb -0.16 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.09 1jwm s PRO 152 CO -0.08 0.19 0.42 -0.59 -0.33 0.00 0.00 177.00 176.61 1jwm s PHE 153 N -0.48 0.10 -0.39 6.54 -0.71 -0.61 -4.93 117.98 117.50 1jwm s PHE 153 Ca 0.47 -0.45 -0.08 0.00 -1.04 0.00 0.00 56.93 55.83 1jwm s PHE 153 Cb -0.28 0.20 0.06 0.00 -1.21 0.00 0.00 43.02 41.79 1jwm s PHE 153 CO 0.34 -0.83 0.20 -1.17 -1.34 0.00 0.00 175.22 172.43 1jwm s LEU 154 N -2.91 4.86 0.16 -1.99 2.96 -1.26 -2.18 118.68 118.32 1jwm s LEU 154 Ca 0.12 -1.40 -0.33 0.00 -0.22 0.00 0.00 54.13 52.30 1jwm s LEU 154 Cb 0.01 -1.94 -0.16 0.00 0.50 0.00 0.00 46.19 44.60 1jwm s LEU 154 CO -0.02 -0.46 1.15 -2.65 -1.32 0.00 0.00 176.35 173.06 1jwm n PRO 155 N 4.86 1.07 -1.97 0.98 -0.02 -1.26 -4.81 135.00 133.85 1jwm n PRO 155 Ca -0.10 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.76 1jwm n PRO 155 Cb 0.44 -1.88 -0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1jwm n PRO 155 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jwm n SER 156 N 2.03 -0.02 -0.03 2.55 3.41 -1.26 -1.54 113.62 118.76 1jwm n SER 156 Ca 0.16 -1.06 -0.03 0.00 -0.26 0.00 0.00 58.87 57.67 1jwm n SER 156 Cb 0.23 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 1jwm n SER 156 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jwm n THR 157 N -0.02 0.45 -0.07 6.66 -2.24 -1.26 -4.40 114.28 113.41 1jwm n THR 157 Ca 0.00 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 1jwm n THR 157 Cb 0.02 -0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 67.37 1jwm n THR 157 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jwm h GLU 158 N 0.00 0.72 -6.93 -0.78 5.08 -1.97 -3.45 114.58 107.25 1jwm h GLU 158 Ca -0.18 -0.46 -0.53 0.00 -1.00 0.00 0.00 59.36 57.19 1jwm h GLU 158 Cb 1.40 0.05 0.10 0.00 0.50 0.00 0.00 28.75 30.80 1jwm h GLU 158 CO 0.01 1.08 0.74 -0.51 -1.00 0.00 0.00 179.01 179.33 1jwm s ASP 159 N -6.73 6.44 -0.13 1.42 1.01 -1.26 -5.04 116.67 112.38 1jwm s ASP 159 Ca -0.12 2.96 -0.01 0.00 0.71 0.00 0.00 52.55 56.09 1jwm s ASP 159 Cb 0.08 -2.66 0.04 0.00 1.01 0.00 0.00 42.92 41.39 1jwm s ASP 159 CO 0.85 -0.79 -0.02 0.68 0.21 0.00 0.00 175.17 176.10 1jwm s VAL 160 N -1.13 0.69 0.33 -1.27 -7.23 -1.26 -4.25 120.40 106.28 1jwm s VAL 160 Ca 0.52 -0.27 0.07 0.00 -1.81 0.00 0.00 61.98 60.49 1jwm s VAL 160 Cb -0.45 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 1jwm s VAL 160 CO 0.60 0.15 0.35 -0.31 -0.31 0.00 0.00 175.10 175.58 1jwm s TYR 161 N 1.82 3.00 -0.05 2.82 1.51 0.13 -0.96 117.35 125.61 1jwm s TYR 161 Ca 0.03 -0.26 -0.12 0.00 -1.01 0.00 0.00 57.07 55.71 1jwm s TYR 161 Cb -0.14 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1jwm s TYR 161 CO -0.07 0.15 0.28 -0.51 -1.11 0.00 0.00 175.55 174.29 1jwm s ASP 162 N -4.04 -0.21 -0.32 2.29 1.01 -0.28 -1.24 116.67 113.88 1jwm s ASP 162 Ca 0.42 0.27 -0.03 0.00 0.71 0.00 0.00 52.55 53.92 1jwm s ASP 162 Cb -0.07 0.43 0.05 0.00 1.01 0.00 0.00 42.92 44.34 1jwm s ASP 162 CO 0.28 -0.29 0.05 0.00 0.21 0.00 0.00 175.17 175.42 1jwm s ARG 164 N 1.27 3.21 -0.20 0.00 3.52 0.27 -1.89 118.95 125.14 1jwm s ARG 164 Ca -0.03 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 54.94 1jwm s ARG 164 Cb -0.20 -4.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 1jwm s ARG 164 CO -0.01 -1.14 0.01 0.08 -0.81 0.00 0.00 175.30 173.43 1jwm s VAL 165 N 2.84 4.04 -0.09 7.11 1.01 -0.12 -0.66 120.40 134.52 1jwm s VAL 165 Ca 0.20 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1jwm s VAL 165 Cb -0.16 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1jwm s VAL 165 CO 0.16 0.43 -0.11 -1.61 0.00 0.00 0.00 175.10 173.97 1jwm s GLU 166 N 0.92 3.01 -0.28 2.72 2.02 0.64 -1.68 118.70 126.04 1jwm s GLU 166 Ca 0.01 -0.64 -0.17 0.00 0.02 0.00 0.00 54.97 54.19 1jwm s GLU 166 Cb -0.14 -2.58 0.11 0.00 0.10 0.00 0.00 34.13 31.62 1jwm s GLU 166 CO 0.02 0.44 0.82 -1.58 0.02 0.00 0.00 175.26 174.98 1jwm s HIS 167 N -0.23 -0.83 0.53 1.61 2.46 -1.26 -2.10 115.29 115.48 1jwm s HIS 167 Ca 0.02 1.69 0.46 0.00 0.47 0.00 0.00 55.06 57.70 1jwm s HIS 167 Cb -0.13 0.49 1.68 0.00 -0.13 0.00 0.00 32.58 34.49 1jwm s HIS 167 CO 0.03 -0.41 1.59 -1.49 -2.47 0.00 0.00 174.74 171.99 1jwm h TRP 168 N 6.36 0.10 0.00 3.88 6.55 -1.95 0.90 115.95 131.78 1jwm h TRP 168 Ca -0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1jwm h TRP 168 Cb 1.21 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.48 1jwm h TRP 168 CO 0.11 -0.05 0.00 0.41 -1.05 0.00 0.00 178.44 177.86 1jwm n GLY 169 N -1.84 -1.16 3.82 1.49 0.00 -1.26 -4.71 105.19 101.53 1jwm n GLY 169 Ca 0.42 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1jwm n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jwm s LEU 170 N -2.64 4.22 0.34 0.99 1.43 0.31 -4.37 118.68 118.96 1jwm s LEU 170 Ca 0.22 0.38 0.17 0.00 -1.03 0.00 0.00 54.13 53.87 1jwm s LEU 170 Cb 0.17 -2.03 0.53 0.00 0.03 0.00 0.00 46.19 44.90 1jwm s LEU 170 CO 0.40 0.37 1.67 0.44 0.23 0.00 0.00 176.35 179.46 1jwm h ASP 171 N 5.27 0.00 -5.02 2.29 3.45 -1.84 -3.46 116.42 117.12 1jwm h ASP 171 Ca -0.52 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 56.86 1jwm h ASP 171 Cb 1.21 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.80 1jwm h ASP 171 CO 0.60 0.44 -0.10 -1.61 -1.57 0.00 0.00 179.24 177.00 1jwm s GLU 172 N -3.49 0.88 0.10 3.56 2.02 -1.26 -5.13 118.70 115.38 1jwm s GLU 172 Ca 0.00 -0.21 -0.36 0.00 0.02 0.00 0.00 54.97 54.43 1jwm s GLU 172 Cb 0.11 0.40 -0.17 0.00 0.10 0.00 0.00 34.13 34.56 1jwm s GLU 172 CO 0.71 -0.28 1.22 -2.30 0.02 0.00 0.00 175.26 174.63 1jwm n PRO 173 N 0.78 0.94 -3.57 0.39 -0.02 -1.26 -4.92 135.00 127.34 1jwm n PRO 173 Ca -0.19 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.26 1jwm n PRO 173 Cb 0.58 -1.90 -0.07 0.00 -0.02 0.00 0.00 33.50 32.09 1jwm n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jwm s LEU 174 N 0.54 4.23 -0.20 2.45 2.96 -0.68 -4.94 118.68 123.03 1jwm s LEU 174 Ca 0.82 0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 55.14 1jwm s LEU 174 Cb -0.97 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.40 1jwm s LEU 174 CO 0.50 0.10 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.77 1jwm s LEU 175 N 0.53 2.64 -0.36 -0.68 1.02 -1.26 -0.94 118.68 119.63 1jwm s LEU 175 Ca 0.15 -0.47 -0.12 0.00 0.02 0.00 0.00 54.13 53.71 1jwm s LEU 175 Cb -0.13 -1.65 0.00 0.00 0.02 0.00 0.00 46.19 44.44 1jwm s LEU 175 CO 0.03 0.00 0.23 -0.54 0.02 0.00 0.00 176.35 176.09 1jwm s LYS 176 N 1.31 3.20 0.17 1.70 3.01 -0.79 -4.89 119.74 123.44 1jwm s LYS 176 Ca 0.04 -0.84 -0.30 0.00 -1.01 0.00 0.00 55.97 53.86 1jwm s LYS 176 Cb -0.14 -3.78 -0.08 0.00 -1.01 0.00 0.00 37.83 32.82 1jwm s LYS 176 CO -0.05 -0.56 1.18 -1.58 0.51 0.00 0.00 175.35 174.85 1jwm s HIS 177 N 1.65 3.45 -0.17 3.18 2.46 -1.26 -1.89 115.29 122.72 1jwm s HIS 177 Ca 0.05 1.43 -0.08 0.00 0.47 0.00 0.00 55.06 56.93 1jwm s HIS 177 Cb -0.18 -3.41 0.06 0.00 -0.13 0.00 0.00 32.58 28.93 1jwm s HIS 177 CO 0.09 -1.13 0.38 -0.46 -2.47 0.00 0.00 174.74 171.15 1jwm s TRP 178 N 0.06 -0.60 0.08 3.88 -0.00 -0.37 -4.96 118.94 117.03 1jwm s TRP 178 Ca 0.53 1.26 -0.13 0.00 -0.00 0.00 0.00 56.10 57.76 1jwm s TRP 178 Cb -0.32 0.23 0.02 0.00 -0.00 0.00 0.00 33.47 33.40 1jwm s TRP 178 CO 0.35 -0.36 0.29 -1.83 -0.00 0.00 0.00 176.95 175.41 1jwm s GLU 179 N 1.71 0.89 -0.14 5.86 -1.05 -1.26 0.19 118.70 124.90 1jwm s GLU 179 Ca -0.07 -0.72 -0.29 0.00 -0.15 0.00 0.00 54.97 53.74 1jwm s GLU 179 Cb -0.10 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 1jwm s GLU 179 CO -0.12 -0.31 1.93 0.12 0.95 0.00 0.00 175.26 177.83 1jwm s PHE 180 N -3.35 1.53 -0.38 4.83 5.36 -1.26 -4.89 117.98 119.82 1jwm s PHE 180 Ca 0.01 0.22 0.11 0.00 -0.96 0.00 0.00 56.93 56.31 1jwm s PHE 180 Cb 0.02 -4.05 0.44 0.00 -0.34 0.00 0.00 43.02 39.09 1jwm s PHE 180 CO -0.08 -4.15 1.05 -0.25 -1.46 0.00 0.00 175.22 170.33 1jwm n ASP 181 N 9.24 3.35 0.00 6.13 8.00 -1.26 -4.95 116.55 137.05 1jwm n ASP 181 Ca 0.23 -3.27 0.00 0.00 0.71 0.00 0.00 54.79 52.45 1jwm n ASP 181 Cb 0.44 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1jwm n ASP 181 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81