#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s LEU 2 N 0.00 0.74 0.00 4.03 2.96 -1.26 -5.09 118.68 120.05 2wrl s LEU 2 Ca 0.00 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2wrl s LEU 2 Cb 0.00 1.41 0.00 0.00 0.50 0.00 0.00 46.19 48.10 2wrl s LEU 2 CO 0.00 -0.53 0.00 1.15 -1.32 0.00 0.00 176.35 175.65 2wrl n MET 3 N 0.94 0.00 -1.57 1.98 0.00 -1.26 -4.87 117.12 112.34 2wrl n MET 3 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.14 2wrl n MET 3 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 33.22 33.88 2wrl n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2wrl s PRO 4 N -2.00 2.31 -0.21 3.17 0.04 -1.26 -4.93 135.00 132.12 2wrl s PRO 4 Ca 0.00 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 2wrl s PRO 4 Cb 0.00 -1.84 -0.20 0.00 0.04 0.00 0.00 34.50 32.50 2wrl s PRO 4 CO 0.00 -1.73 -0.01 0.54 0.04 0.00 0.00 177.00 175.84 2wrl n ARG 5 N -2.36 0.69 -4.62 4.56 1.74 -1.26 -4.98 116.66 110.42 2wrl n ARG 5 Ca 0.14 0.19 -0.28 0.00 -0.77 0.00 0.00 57.85 57.13 2wrl n ARG 5 Cb 0.49 -1.59 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 2wrl n ARG 5 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wrl s ARG 6 N -2.53 2.00 -0.28 5.56 0.52 -1.26 -5.17 118.95 117.78 2wrl s ARG 6 Ca -0.30 -2.21 -0.25 0.00 -0.52 0.00 0.00 55.73 52.45 2wrl s ARG 6 Cb 0.08 -1.22 0.14 0.00 0.52 0.00 0.00 34.95 34.47 2wrl s ARG 6 CO 0.66 -0.30 1.12 -1.64 0.02 0.00 0.00 175.30 175.16 2wrl s MET 7 N -3.80 0.42 0.12 3.54 -1.94 -1.26 -5.03 119.30 111.33 2wrl s MET 7 Ca 0.21 0.47 -0.03 0.00 -1.71 0.00 0.00 55.69 54.63 2wrl s MET 7 Cb 0.05 0.20 -0.15 0.00 2.01 0.00 0.00 34.83 36.94 2wrl s MET 7 CO 0.11 -0.05 1.26 0.87 -0.01 0.00 0.00 175.02 177.19 2wrl h LYS 8 N 3.90 0.30 -4.15 2.03 1.57 -2.02 -3.43 116.57 114.78 2wrl h LYS 8 Ca -0.27 -0.40 -0.49 0.00 -1.87 0.00 0.00 60.65 57.62 2wrl h LYS 8 Cb 1.18 0.13 -0.36 0.00 0.08 0.00 0.00 32.23 33.26 2wrl h LYS 8 CO 0.13 1.12 -0.79 0.71 -0.57 0.00 0.00 179.45 180.04 2wrl s TYR 9 N -3.01 1.24 0.35 -1.35 1.51 -1.26 -5.01 117.35 109.83 2wrl s TYR 9 Ca -0.04 -0.54 0.09 0.00 -1.01 0.00 0.00 57.07 55.57 2wrl s TYR 9 Cb 0.08 -1.06 0.67 0.00 -0.11 0.00 0.00 41.96 41.54 2wrl s TYR 9 CO 0.86 -0.41 1.83 -0.09 -1.11 0.00 0.00 175.55 176.63 2wrl h ARG 10 N 7.92 0.18 -5.85 -0.62 2.43 -2.01 -3.43 114.38 112.99 2wrl h ARG 10 Ca -0.29 -0.06 -0.55 0.00 -0.81 0.00 0.00 59.98 58.28 2wrl h ARG 10 Cb 1.14 -0.01 -0.26 0.00 -0.42 0.00 0.00 29.97 30.41 2wrl h ARG 10 CO 0.39 0.45 -0.83 0.15 -1.51 0.00 0.00 179.97 178.62 2wrl s LYS 11 N -4.41 1.29 0.03 0.20 1.02 -1.26 -4.85 119.74 111.77 2wrl s LYS 11 Ca -0.04 -0.85 -0.07 0.00 0.02 0.00 0.00 55.97 55.02 2wrl s LYS 11 Cb 0.14 -1.36 -0.00 0.00 -0.52 0.00 0.00 37.83 36.09 2wrl s LYS 11 CO 0.74 0.35 0.13 1.14 -0.92 0.00 0.00 175.35 176.80 2wrl s GLN 12 N -1.05 0.59 0.70 1.68 -2.07 -1.26 -5.07 119.66 113.18 2wrl s GLN 12 Ca 0.06 -0.64 -0.14 0.00 -1.82 0.00 0.00 55.36 52.82 2wrl s GLN 12 Cb -0.08 0.24 0.02 0.00 -1.09 0.00 0.00 33.01 32.10 2wrl s GLN 12 CO 0.01 -0.15 1.14 -0.65 -1.32 0.00 0.00 175.29 174.32 2wrl s GLN 13 N -2.32 2.44 0.01 9.60 -0.21 -1.26 -4.89 119.66 123.03 2wrl s GLN 13 Ca -0.07 1.51 -0.03 0.00 0.02 0.00 0.00 55.36 56.79 2wrl s GLN 13 Cb -0.03 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 2wrl s GLN 13 CO -0.03 -1.55 1.04 0.00 -2.12 0.00 0.00 175.29 172.63 2wrl h ARG 14 N -0.26 -0.07 0.00 2.91 -0.00 -2.02 -3.50 114.38 111.44 2wrl h ARG 14 Ca -0.47 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2wrl h ARG 14 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.25 2wrl h ARG 14 CO 0.52 -0.05 0.00 0.41 0.00 0.00 0.00 179.97 180.85 2wrl n GLY 15 N -1.04 -1.06 3.06 0.04 0.00 -1.26 -4.98 105.19 99.94 2wrl n GLY 15 Ca -0.01 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 2wrl n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wrl s ARG 16 N -1.14 0.70 -0.11 1.61 3.52 -1.26 -5.13 118.95 117.14 2wrl s ARG 16 Ca 0.00 -0.52 -0.24 0.00 -0.13 0.00 0.00 55.73 54.84 2wrl s ARG 16 Cb 0.00 -0.65 -0.03 0.00 -1.56 0.00 0.00 34.95 32.72 2wrl s ARG 16 CO 0.00 0.16 0.75 -0.51 -0.81 0.00 0.00 175.30 174.90 2wrl s LEU 17 N -0.75 4.26 0.00 -0.88 1.43 -1.26 -5.06 118.68 116.42 2wrl s LEU 17 Ca -0.00 1.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 2wrl s LEU 17 Cb -0.06 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 43.03 2wrl s LEU 17 CO 0.00 -0.23 0.09 0.29 0.23 0.00 0.00 176.35 176.73 2wrl n LYS 18 N 4.36 1.34 0.00 1.70 4.76 -1.26 -5.08 118.16 123.98 2wrl n LYS 18 Ca 0.01 -1.33 0.00 0.00 -2.87 0.00 0.00 58.31 54.11 2wrl n LYS 18 Cb 0.50 0.24 0.00 0.00 -1.84 0.00 0.00 35.03 33.93 2wrl n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrl n GLY 19 N 2.60 -1.31 7.00 0.72 0.00 -1.26 -4.80 105.19 108.15 2wrl n GLY 19 Ca -0.04 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2wrl n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl n ALA 20 N -3.00 0.00 0.00 4.61 0.00 -1.26 -4.81 120.51 116.04 2wrl n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrl n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrl n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wrl n THR 21 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -3.75 114.28 108.23 2wrl n THR 21 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wrl n THR 21 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wrl n THR 21 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2wrl n LYS 22 N -0.25 0.00 -3.10 -2.82 3.00 -1.26 -4.85 118.16 108.87 2wrl n LYS 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wrl n LYS 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2wrl n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wrl n GLY 23 N 0.00 -1.24 4.13 3.14 0.00 -1.26 -5.04 105.19 104.92 2wrl n GLY 23 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2wrl n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLY 24 N 0.00 -0.20 0.65 -0.02 0.00 -1.26 -4.75 105.19 99.61 2wrl n GLY 24 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2wrl n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wrl n ASP 25 N -2.92 2.70 -4.29 1.61 5.75 -1.25 -0.12 116.55 118.03 2wrl n ASP 25 Ca -0.31 -1.83 -0.16 0.00 -0.01 0.00 0.00 54.79 52.48 2wrl n ASP 25 Cb 0.69 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 2wrl n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2wrl s TYR 26 N -1.03 1.42 0.00 2.11 -0.85 -1.26 -4.77 117.35 112.97 2wrl s TYR 26 Ca 0.22 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 2wrl s TYR 26 Cb 0.13 -0.77 0.00 0.00 0.38 0.00 0.00 41.96 41.70 2wrl s TYR 26 CO 0.17 0.04 0.00 0.28 -1.52 0.00 0.00 175.55 174.52 2wrl n VAL 27 N -0.30 0.00 0.00 -3.49 0.31 -1.26 -4.87 118.33 108.72 2wrl n VAL 27 Ca -0.08 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2wrl n VAL 27 Cb 0.62 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 2wrl n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrl n ALA 28 N -3.00 0.00 -1.47 3.52 0.00 -1.26 -4.83 120.51 113.46 2wrl n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrl n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrl n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wrl n PHE 29 N -2.00 0.00 0.00 0.00 3.01 -1.26 -5.13 117.46 112.08 2wrl n PHE 29 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wrl n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2wrl n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wrl n GLY 30 N 2.95 -2.89 0.02 1.37 0.00 -1.26 -4.97 105.19 100.41 2wrl n GLY 30 Ca 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 46.02 44.87 2wrl n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wrl n ASP 31 N 0.00 3.92 -4.19 1.61 8.00 0.15 -4.89 116.55 121.16 2wrl n ASP 31 Ca 0.00 -0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 2wrl n ASP 31 Cb 0.00 0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 41.42 2wrl n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wrl s TYR 32 N -2.10 1.40 0.22 1.24 1.51 -0.94 -4.26 117.35 114.42 2wrl s TYR 32 Ca -0.03 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.62 2wrl s TYR 32 Cb 0.01 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 2wrl s TYR 32 CO 0.15 0.08 0.13 0.20 -1.11 0.00 0.00 175.55 175.01 2wrl s GLY 33 N -1.50 1.53 -0.09 0.71 0.00 -0.52 -0.81 107.32 106.64 2wrl s GLY 33 Ca 0.02 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 43.02 2wrl s GLY 33 CO 0.02 -1.44 -0.18 -2.27 0.00 0.00 0.00 173.10 169.23 2wrl s LEU 34 N -3.20 1.87 0.13 0.66 2.96 -0.47 -1.32 118.68 119.31 2wrl s LEU 34 Ca 0.39 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 2wrl s LEU 34 Cb 0.07 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 2wrl s LEU 34 CO 0.13 0.08 -0.17 0.54 -1.32 0.00 0.00 176.35 175.61 2wrl s VAL 35 N 0.63 1.62 0.09 1.68 0.11 0.82 -1.21 120.40 124.15 2wrl s VAL 35 Ca -0.14 -1.75 -0.30 0.00 -2.93 0.00 0.00 61.98 56.86 2wrl s VAL 35 Cb -0.16 -1.65 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 2wrl s VAL 35 CO 0.04 -0.28 0.97 0.00 -3.33 0.00 0.00 175.10 172.50 2wrl s ALA 36 N -1.84 3.24 -0.25 1.54 0.00 -0.95 -0.84 121.76 122.66 2wrl s ALA 36 Ca 0.11 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.69 2wrl s ALA 36 Cb -0.07 -3.29 -0.18 0.00 0.00 0.00 0.00 23.12 19.58 2wrl s ALA 36 CO 0.05 -0.07 -0.16 1.28 0.00 0.00 0.00 175.76 176.86 2wrl n LEU 37 N 2.96 2.57 -4.62 0.00 4.77 -0.05 -1.04 117.00 121.59 2wrl n LEU 37 Ca 0.03 -0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 2wrl n LEU 37 Cb 0.49 -0.73 -0.09 0.00 -2.33 0.00 0.00 43.42 40.76 2wrl n LEU 37 CO 0.51 0.88 -0.38 -1.61 -1.33 0.00 0.00 177.39 175.46 2wrl s GLU 38 N -2.52 2.39 0.52 3.23 2.02 -1.25 -4.52 118.70 118.56 2wrl s GLU 38 Ca -0.31 -0.88 -0.17 0.00 0.02 0.00 0.00 54.97 53.63 2wrl s GLU 38 Cb 0.09 -2.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.80 2wrl s GLU 38 CO 0.64 0.54 1.00 -1.25 0.02 0.00 0.00 175.26 176.21 2wrl s PRO 39 N -2.05 3.85 0.00 0.39 0.04 -1.26 -4.33 135.00 131.63 2wrl s PRO 39 Ca 0.22 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2wrl s PRO 39 Cb -0.11 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wrl s PRO 39 CO 0.14 -0.36 0.00 0.00 0.04 0.00 0.00 177.00 176.82 2wrl n ALA 40 N -1.57 0.00 -4.03 8.56 0.00 0.22 -4.99 120.51 118.71 2wrl n ALA 40 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 2wrl n ALA 40 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 2wrl n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wrl s TRP 41 N -3.25 3.18 -0.16 0.00 0.51 -1.26 -1.91 118.94 116.05 2wrl s TRP 41 Ca 0.00 -2.34 -0.17 0.00 -2.12 0.00 0.00 56.10 51.47 2wrl s TRP 41 Cb 0.00 -2.04 -0.04 0.00 -0.81 0.00 0.00 33.47 30.58 2wrl s TRP 41 CO 0.00 -0.87 0.43 0.42 -0.51 0.00 0.00 176.95 176.42 2wrl s ILE 42 N 1.13 5.20 0.79 2.03 1.09 -0.92 -4.89 121.20 125.62 2wrl s ILE 42 Ca -0.04 0.83 -0.11 0.00 -1.10 0.00 0.00 60.65 60.22 2wrl s ILE 42 Cb -0.20 -3.77 0.06 0.00 -1.06 0.00 0.00 42.46 37.50 2wrl s ILE 42 CO -0.06 0.29 1.10 0.42 -0.10 0.00 0.00 174.94 176.59 2wrl s THR 43 N 0.93 3.12 0.11 2.92 -4.23 -1.26 -0.71 115.64 116.52 2wrl s THR 43 Ca 0.22 0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 60.94 2wrl s THR 43 Cb -0.15 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 2wrl s THR 43 CO 0.09 -0.48 1.57 0.00 -0.54 0.00 0.00 174.62 175.26 2wrl h ALA 44 N -1.04 0.47 -0.13 3.99 0.00 -1.73 -2.54 119.26 118.28 2wrl h ALA 44 Ca -0.47 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.25 2wrl h ALA 44 Cb 1.27 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2wrl h ALA 44 CO 0.60 0.21 -0.15 -0.56 0.00 0.00 0.00 179.25 179.34 2wrl h GLN 45 N 0.42 -0.18 -0.53 0.00 -0.00 -1.93 0.14 115.11 113.03 2wrl h GLN 45 Ca 0.10 0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.87 2wrl h GLN 45 Cb 0.42 0.04 -0.11 0.00 -0.00 0.00 0.00 27.48 27.83 2wrl h GLN 45 CO 0.01 -0.12 -0.26 1.96 -0.00 0.00 0.00 178.83 180.42 2wrl h GLN 46 N -0.19 -0.13 0.08 0.06 4.20 -1.88 0.68 115.11 117.93 2wrl h GLN 46 Ca 0.09 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2wrl h GLN 46 Cb 0.32 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2wrl h GLN 46 CO -0.24 -0.08 -0.09 0.82 -0.67 0.00 0.00 178.83 178.57 2wrl h ILE 47 N -0.13 0.00 -0.83 2.54 2.04 -0.89 -2.40 117.51 117.84 2wrl h ILE 47 Ca 0.24 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.26 2wrl h ILE 47 Cb 0.51 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.43 2wrl h ILE 47 CO -0.61 0.00 -0.23 -0.08 0.00 0.00 0.00 178.15 177.23 2wrl h GLU 48 N -0.17 -0.01 -1.04 2.37 4.57 -0.14 0.49 114.58 120.65 2wrl h GLU 48 Ca -0.01 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.43 2wrl h GLU 48 Cb 0.15 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.64 2wrl h GLU 48 CO -0.01 -0.01 0.65 0.00 -1.18 0.00 0.00 179.01 178.46 2wrl h ALA 49 N 1.76 2.13 0.01 2.92 0.00 0.52 -0.27 119.26 126.33 2wrl h ALA 49 Ca 0.39 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2wrl h ALA 49 Cb 0.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wrl h ALA 49 CO -0.86 -0.56 -0.01 0.00 0.00 0.00 0.00 179.25 177.83 2wrl h ALA 50 N 1.64 -0.07 -0.72 0.00 0.00 0.40 -3.04 119.26 117.48 2wrl h ALA 50 Ca 0.61 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.73 2wrl h ALA 50 Cb 1.45 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 2wrl h ALA 50 CO -0.34 -0.07 0.08 -2.13 0.00 0.00 0.00 179.25 176.79 2wrl n ARG 51 N -2.66 -0.06 0.00 0.00 0.63 -0.06 0.97 116.66 115.49 2wrl n ARG 51 Ca -0.00 1.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 2wrl n ARG 51 Cb 0.01 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.19 2wrl n ARG 51 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2wrl n VAL 52 N -4.93 0.00 -0.40 5.15 0.31 -0.13 -1.42 118.33 116.91 2wrl n VAL 52 Ca 0.19 0.96 0.38 0.00 -0.01 0.00 0.00 64.34 65.85 2wrl n VAL 52 Cb 0.62 -1.88 0.64 0.00 -0.91 0.00 0.00 33.84 32.30 2wrl n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrl h ALA 53 N -2.00 3.29 0.17 3.52 0.00 -1.12 0.96 119.26 124.07 2wrl h ALA 53 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wrl h ALA 53 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2wrl h ALA 53 CO 0.00 -1.93 -0.11 1.98 0.00 0.00 0.00 179.25 179.19 2wrl h MET 54 N 0.00 -0.25 0.11 0.00 -1.53 0.82 -1.40 114.93 112.68 2wrl h MET 54 Ca 0.66 0.02 0.02 0.00 -3.44 0.00 0.00 59.70 56.95 2wrl h MET 54 Cb 3.09 0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 34.16 2wrl h MET 54 CO -0.01 -0.17 -0.26 -0.24 0.14 0.00 0.00 176.91 176.38 2wrl h VAL 55 N -0.26 0.43 -0.77 -5.77 3.04 0.19 -2.91 116.25 110.20 2wrl h VAL 55 Ca -0.02 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.76 2wrl h VAL 55 Cb 0.21 0.43 -0.11 0.00 -2.01 0.00 0.00 31.29 29.81 2wrl h VAL 55 CO 0.02 0.00 -0.39 0.54 -1.01 0.00 0.00 177.57 176.73 2wrl n ARG 56 N -5.38 -0.27 -0.35 4.17 5.12 0.11 -0.10 116.66 119.97 2wrl n ARG 56 Ca -0.06 1.17 0.16 0.00 -1.93 0.00 0.00 57.85 57.18 2wrl n ARG 56 Cb 0.29 -1.72 0.36 0.00 -1.16 0.00 0.00 32.46 30.23 2wrl n ARG 56 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2wrl h HIS 57 N 0.00 1.04 -2.15 -1.55 2.76 -1.04 -2.93 115.15 111.29 2wrl h HIS 57 Ca 0.18 0.04 -0.61 0.00 -2.20 0.00 0.00 60.37 57.78 2wrl h HIS 57 Cb 0.38 -0.30 -0.41 0.00 1.55 0.00 0.00 27.41 28.62 2wrl h HIS 57 CO -0.74 0.13 -0.52 1.97 -1.30 0.00 0.00 177.93 177.47 2wrl n PHE 58 N -4.84 3.85 -1.01 5.26 1.16 0.85 -5.07 117.46 117.66 2wrl n PHE 58 Ca 0.26 -3.72 -0.40 0.00 -1.87 0.00 0.00 57.45 51.72 2wrl n PHE 58 Cb 0.68 -0.47 -0.06 0.00 -1.61 0.00 0.00 39.48 38.02 2wrl n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wrl n ARG 59 N -0.28 0.00 -2.03 3.97 1.85 -1.11 -0.68 116.66 118.37 2wrl n ARG 59 Ca 0.34 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 57.10 2wrl n ARG 59 Cb 0.43 -0.94 -0.01 0.00 -1.05 0.00 0.00 32.46 30.89 2wrl n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wrl n ARG 60 N 1.69 -0.66 -1.45 2.89 1.74 -1.26 -5.04 116.66 114.57 2wrl n ARG 60 Ca 0.16 0.46 -0.13 0.00 -0.77 0.00 0.00 57.85 57.57 2wrl n ARG 60 Cb 0.01 -4.41 0.08 0.00 -1.02 0.00 0.00 32.46 27.11 2wrl n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 61 N -1.14 0.09 0.00 -0.13 0.00 0.14 -5.10 105.19 99.05 2wrl n GLY 61 Ca -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2wrl n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLY 62 N 0.80 -2.82 3.63 -0.02 0.00 -1.20 -4.99 105.19 100.59 2wrl n GLY 62 Ca 0.09 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2wrl n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrl s LYS 63 N 0.00 3.06 -0.08 1.61 2.20 -0.98 -4.99 119.74 120.56 2wrl s LYS 63 Ca 0.00 -0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2wrl s LYS 63 Cb 0.00 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 2wrl s LYS 63 CO 0.00 0.61 -0.04 0.42 -0.36 0.00 0.00 175.35 175.98 2wrl s ILE 64 N -0.64 3.90 -0.20 5.43 1.01 -1.26 -1.70 121.20 127.74 2wrl s ILE 64 Ca 0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 2wrl s ILE 64 Cb -0.12 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.75 2wrl s ILE 64 CO 0.02 0.59 -0.15 -0.36 0.00 0.00 0.00 174.94 175.04 2wrl s PHE 65 N -0.70 2.86 -0.55 3.97 2.99 -0.27 -5.00 117.98 121.28 2wrl s PHE 65 Ca 0.11 -1.51 -0.22 0.00 0.00 0.00 0.00 56.93 55.31 2wrl s PHE 65 Cb -0.11 -1.97 0.05 0.00 0.00 0.00 0.00 43.02 40.99 2wrl s PHE 65 CO 0.02 -0.75 0.81 0.96 -0.00 0.00 0.00 175.22 176.26 2wrl s ILE 66 N 1.33 4.59 -2.10 0.64 -4.36 -1.26 -2.39 121.20 117.64 2wrl s ILE 66 Ca 0.04 -0.17 0.30 0.00 -0.26 0.00 0.00 60.65 60.56 2wrl s ILE 66 Cb -0.14 -4.47 0.79 0.00 1.25 0.00 0.00 42.46 39.90 2wrl s ILE 66 CO -0.10 -1.05 2.07 0.54 0.24 0.00 0.00 174.94 176.64 2wrl n ARG 67 N 6.95 1.15 -4.37 0.37 1.74 0.12 -4.83 116.66 117.78 2wrl n ARG 67 Ca -0.03 -0.21 -0.28 0.00 -0.77 0.00 0.00 57.85 56.56 2wrl n ARG 67 Cb 0.46 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 2wrl n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wrl s ILE 68 N -1.99 2.59 -0.14 0.55 -4.36 -1.21 -4.93 121.20 111.71 2wrl s ILE 68 Ca 0.44 -1.79 -0.04 0.00 -0.26 0.00 0.00 60.65 59.00 2wrl s ILE 68 Cb 0.21 -2.22 0.06 0.00 1.25 0.00 0.00 42.46 41.76 2wrl s ILE 68 CO 0.34 -0.02 0.13 0.12 0.24 0.00 0.00 174.94 175.75 2wrl s PHE 69 N -1.43 -0.02 0.62 1.37 5.36 -1.26 -5.12 117.98 117.51 2wrl s PHE 69 Ca 0.19 0.11 -0.19 0.00 -0.96 0.00 0.00 56.93 56.08 2wrl s PHE 69 Cb -0.09 -0.49 -0.02 0.00 -0.34 0.00 0.00 43.02 42.08 2wrl s PHE 69 CO 0.10 -0.43 1.31 -1.25 -1.46 0.00 0.00 175.22 173.49 2wrl s PRO 70 N 2.22 2.69 0.00 10.12 0.04 -1.26 -4.72 135.00 144.10 2wrl s PRO 70 Ca 0.04 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2wrl s PRO 70 Cb -0.14 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2wrl s PRO 70 CO -0.08 -1.50 0.02 -0.40 0.04 0.00 0.00 177.00 175.08 2wrl n ASP 71 N -1.71 0.00 -4.34 6.66 5.75 -0.85 -4.43 116.55 117.63 2wrl n ASP 71 Ca 0.15 -0.21 -0.39 0.00 -0.01 0.00 0.00 54.79 54.33 2wrl n ASP 71 Cb 0.47 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.45 2wrl n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wrl s LYS 72 N 0.00 2.80 -0.03 0.11 2.20 -0.46 -4.95 119.74 119.41 2wrl s LYS 72 Ca 0.00 -1.08 -0.35 0.00 -0.36 0.00 0.00 55.97 54.18 2wrl s LYS 72 Cb 0.00 -3.60 -0.13 0.00 -1.51 0.00 0.00 37.83 32.59 2wrl s LYS 72 CO 0.00 -0.66 1.76 -2.30 -0.36 0.00 0.00 175.35 173.79 2wrl n PRO 73 N 4.92 2.02 -3.26 4.03 -0.02 -1.26 -2.31 135.00 139.12 2wrl n PRO 73 Ca -0.12 0.74 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 2wrl n PRO 73 Cb 0.46 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 2wrl n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2wrl s TYR 74 N 3.00 3.22 0.48 6.00 5.04 -0.84 -4.67 117.35 129.58 2wrl s TYR 74 Ca 0.89 0.41 0.02 0.00 -2.44 0.00 0.00 57.07 55.95 2wrl s TYR 74 Cb -0.74 -2.79 0.01 0.00 0.35 0.00 0.00 41.96 38.79 2wrl s TYR 74 CO 0.49 -0.38 0.68 0.99 -1.34 0.00 0.00 175.55 175.99 2wrl s THR 75 N 2.32 3.36 -0.30 4.34 2.01 -1.26 -0.16 115.64 125.95 2wrl s THR 75 Ca 0.19 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 2wrl s THR 75 Cb -0.16 -3.23 0.19 0.00 0.01 0.00 0.00 72.50 69.32 2wrl s THR 75 CO 0.11 -0.15 1.23 -0.75 -0.69 0.00 0.00 174.62 174.37 2wrl s LYS 76 N -4.58 0.09 0.50 4.92 2.47 -0.86 -4.77 119.74 117.49 2wrl s LYS 76 Ca 0.52 0.19 -0.18 0.00 -1.56 0.00 0.00 55.97 54.94 2wrl s LYS 76 Cb -0.10 0.08 -0.08 0.00 -1.46 0.00 0.00 37.83 36.27 2wrl s LYS 76 CO 0.37 -0.02 1.00 0.15 0.16 0.00 0.00 175.35 177.00 2wrl s LYS 77 N 1.74 3.90 1.12 4.03 1.02 -1.26 -3.12 119.74 127.16 2wrl s LYS 77 Ca -0.03 1.12 -0.19 0.00 0.02 0.00 0.00 55.97 56.89 2wrl s LYS 77 Cb -0.02 -2.12 0.10 0.00 -0.52 0.00 0.00 37.83 35.27 2wrl s LYS 77 CO -0.14 -0.32 -0.05 -2.30 -0.92 0.00 0.00 175.35 171.62 2wrl n PRO 78 N -1.26 -1.65 -2.68 -1.68 -0.02 -1.26 -4.95 135.00 121.51 2wrl n PRO 78 Ca 0.08 -0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 60.79 2wrl n PRO 78 Cb 0.54 -1.65 -0.02 0.00 -0.02 0.00 0.00 33.50 32.34 2wrl n PRO 78 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wrl s LEU 79 N -0.83 3.72 -1.08 2.45 0.20 -1.26 -4.31 118.68 117.56 2wrl s LEU 79 Ca 0.54 1.18 -0.19 0.00 0.69 0.00 0.00 54.13 56.35 2wrl s LEU 79 Cb -0.10 -4.09 -0.00 0.00 -0.43 0.00 0.00 46.19 41.56 2wrl s LEU 79 CO 0.64 -0.49 0.76 -0.62 -0.29 0.00 0.00 176.35 176.35 2wrl n GLU 80 N -1.62 -1.17 -3.76 1.98 1.02 -1.26 -5.01 120.64 110.82 2wrl n GLU 80 Ca 0.03 0.54 -0.13 0.00 -0.02 0.00 0.00 57.16 57.58 2wrl n GLU 80 Cb 0.54 -3.95 -0.10 0.00 -0.02 0.00 0.00 31.44 27.91 2wrl n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wrl s VAL 81 N -3.38 0.01 0.96 2.62 0.11 -1.26 -5.17 120.40 114.29 2wrl s VAL 81 Ca 0.40 -0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 59.19 2wrl s VAL 81 Cb -0.15 -0.52 0.19 0.00 -1.53 0.00 0.00 36.38 34.37 2wrl s VAL 81 CO 0.86 -0.06 1.28 -0.13 -3.33 0.00 0.00 175.10 173.72 2wrl s ARG 82 N -0.16 0.67 1.17 1.54 0.52 -1.26 -4.99 118.95 116.44 2wrl s ARG 82 Ca -0.03 -0.28 -0.16 0.00 -0.52 0.00 0.00 55.73 54.74 2wrl s ARG 82 Cb -0.03 -1.84 0.27 0.00 0.52 0.00 0.00 34.95 33.87 2wrl s ARG 82 CO 0.01 -2.41 1.05 -1.64 0.02 0.00 0.00 175.30 172.33 2wrl s MET 83 N -5.78 -0.93 2.70 3.54 -1.94 -1.26 -4.86 119.30 110.77 2wrl s MET 83 Ca 0.72 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 55.09 2wrl s MET 83 Cb -0.06 -1.59 0.00 0.00 2.01 0.00 0.00 34.83 35.19 2wrl s MET 83 CO 0.53 -3.61 0.00 0.41 -0.01 0.00 0.00 175.02 172.33 2wrl n GLY 84 N -0.14 -0.65 2.40 -0.03 0.00 -1.26 -4.95 105.19 100.56 2wrl n GLY 84 Ca 0.07 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 2wrl n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrl n LYS 85 N 0.00 -1.65 0.00 1.61 4.76 -1.26 -4.65 118.16 116.97 2wrl n LYS 85 Ca 0.00 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 2wrl n LYS 85 Cb 0.00 -5.66 0.00 0.00 -1.84 0.00 0.00 35.03 27.53 2wrl n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrl n GLY 86 N -1.00 -0.69 0.00 0.72 0.00 -1.26 -4.96 105.19 98.00 2wrl n GLY 86 Ca -0.24 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2wrl n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrl n LYS 87 N 0.00 3.59 -4.47 1.61 4.81 -1.26 -5.13 118.16 117.30 2wrl n LYS 87 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 2wrl n LYS 87 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 2wrl n LYS 87 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2wrl s GLY 88 N -0.15 2.09 0.62 3.14 0.00 -1.26 -4.89 107.32 106.87 2wrl s GLY 88 Ca 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 44.72 42.60 2wrl s GLY 88 CO 0.00 -1.87 0.92 -1.31 0.00 0.00 0.00 173.10 170.84 2wrl s ASN 89 N -3.51 5.35 0.46 1.64 -0.87 -1.18 -4.67 114.94 112.15 2wrl s ASN 89 Ca 0.35 0.58 -0.21 0.00 -1.57 0.00 0.00 52.86 52.01 2wrl s ASN 89 Cb 0.08 -1.47 -0.09 0.00 -0.02 0.00 0.00 41.25 39.74 2wrl s ASN 89 CO 0.15 -1.22 1.01 -0.69 -2.57 0.00 0.00 177.10 173.79 2wrl s VAL 90 N -3.04 3.95 -0.03 1.60 1.01 -1.26 -2.03 120.40 120.60 2wrl s VAL 90 Ca 0.56 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.70 2wrl s VAL 90 Cb -0.11 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2wrl s VAL 90 CO 0.44 -0.24 -0.15 -0.62 0.00 0.00 0.00 175.10 174.54 2wrl n GLU 91 N -0.79 0.23 0.00 2.72 -0.58 0.77 -4.88 120.64 118.10 2wrl n GLU 91 Ca 0.08 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2wrl n GLU 91 Cb 0.53 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.50 2wrl n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrl n GLY 92 N 2.61 4.25 3.16 0.62 0.00 -1.24 -5.03 105.19 109.55 2wrl n GLY 92 Ca -0.07 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 2wrl n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wrl s TYR 93 N -0.12 0.57 0.06 1.61 1.51 -1.26 -1.98 117.35 117.73 2wrl s TYR 93 Ca 0.00 -1.02 -0.09 0.00 -1.01 0.00 0.00 57.07 54.95 2wrl s TYR 93 Cb 0.00 -0.33 0.00 0.00 -0.11 0.00 0.00 41.96 41.52 2wrl s TYR 93 CO 0.00 -0.49 0.20 0.14 -1.11 0.00 0.00 175.55 174.28 2wrl s VAL 94 N -3.96 0.12 -0.15 0.71 -7.23 -0.98 -1.97 120.40 106.93 2wrl s VAL 94 Ca 0.14 -1.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.30 2wrl s VAL 94 Cb 0.07 -1.08 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 2wrl s VAL 94 CO -0.05 -0.55 -0.12 0.00 -0.31 0.00 0.00 175.10 174.07 2wrl s ALA 95 N -3.06 2.61 -0.61 1.32 0.00 0.11 -1.35 121.76 120.78 2wrl s ALA 95 Ca -0.01 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 50.68 2wrl s ALA 95 Cb 0.01 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2wrl s ALA 95 CO -0.07 0.03 1.53 0.08 0.00 0.00 0.00 175.76 177.33 2wrl s VAL 96 N 0.72 3.63 -0.14 0.00 1.01 -1.26 -2.16 120.40 122.19 2wrl s VAL 96 Ca -0.06 0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 2wrl s VAL 96 Cb -0.15 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2wrl s VAL 96 CO 0.02 -1.22 0.16 -0.69 0.00 0.00 0.00 175.10 173.36 2wrl s VAL 97 N 6.93 5.45 0.20 2.92 1.01 -0.80 -5.01 120.40 131.10 2wrl s VAL 97 Ca 0.54 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.84 2wrl s VAL 97 Cb -0.11 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2wrl s VAL 97 CO 0.22 0.56 -0.14 -0.54 0.00 0.00 0.00 175.10 175.19 2wrl s LYS 98 N -0.57 1.31 0.22 2.72 1.02 -1.26 -0.61 119.74 122.57 2wrl s LYS 98 Ca 0.13 -1.58 -0.32 0.00 0.02 0.00 0.00 55.97 54.23 2wrl s LYS 98 Cb -0.12 -1.10 -0.13 0.00 -0.52 0.00 0.00 37.83 35.96 2wrl s LYS 98 CO 0.03 0.18 1.56 -2.30 -0.92 0.00 0.00 175.35 173.90 2wrl n PRO 99 N -0.35 2.34 -0.03 -1.68 -0.02 -1.25 -2.54 135.00 131.47 2wrl n PRO 99 Ca -0.08 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2wrl n PRO 99 Cb 0.60 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2wrl n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrl n GLY 100 N 2.91 0.53 3.70 -1.23 0.00 -0.20 -4.27 105.19 106.62 2wrl n GLY 100 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2wrl n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wrl s ARG 101 N -0.97 4.30 -0.54 1.61 6.06 -1.05 -3.92 118.95 124.43 2wrl s ARG 101 Ca 0.00 0.53 -0.28 0.00 -2.50 0.00 0.00 55.73 53.48 2wrl s ARG 101 Cb 0.00 -3.49 0.02 0.00 0.06 0.00 0.00 34.95 31.54 2wrl s ARG 101 CO 0.00 0.00 1.28 0.08 -2.50 0.00 0.00 175.30 174.16 2wrl s VAL 102 N 1.11 3.96 -0.10 7.11 1.01 0.83 -2.24 120.40 132.07 2wrl s VAL 102 Ca 0.28 0.88 -0.22 0.00 0.00 0.00 0.00 61.98 62.92 2wrl s VAL 102 Cb -0.16 -4.56 -0.18 0.00 0.00 0.00 0.00 36.38 31.48 2wrl s VAL 102 CO 0.11 -1.17 0.72 0.24 0.00 0.00 0.00 175.10 175.00 2wrl h MET 103 N 10.10 -0.05 -4.75 2.72 0.00 -1.48 -3.42 114.93 118.06 2wrl h MET 103 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 59.70 59.10 2wrl h MET 103 Cb 1.07 0.01 -0.14 0.00 0.00 0.00 0.00 31.60 32.54 2wrl h MET 103 CO 1.16 0.59 -0.57 -0.06 0.00 0.00 0.00 176.91 178.03 2wrl s PHE 104 N -2.61 1.43 -0.28 -0.22 0.40 -1.21 -0.70 117.98 114.78 2wrl s PHE 104 Ca -0.14 -1.45 -0.24 0.00 -0.60 0.00 0.00 56.93 54.50 2wrl s PHE 104 Cb -0.01 -0.68 0.12 0.00 0.51 0.00 0.00 43.02 42.96 2wrl s PHE 104 CO 0.52 -0.66 1.02 -1.83 0.70 0.00 0.00 175.22 174.97 2wrl s GLU 105 N -3.89 0.50 0.09 0.44 -1.05 -1.01 -1.37 118.70 112.41 2wrl s GLU 105 Ca 0.39 0.62 0.03 0.00 -0.15 0.00 0.00 54.97 55.85 2wrl s GLU 105 Cb 0.05 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 2wrl s GLU 105 CO 0.17 -0.06 0.12 0.14 0.95 0.00 0.00 175.26 176.58 2wrl s VAL 106 N 0.32 4.74 -0.02 1.83 -7.23 0.01 -1.11 120.40 118.95 2wrl s VAL 106 Ca 0.02 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 2wrl s VAL 106 Cb -0.05 -3.31 0.01 0.00 0.56 0.00 0.00 36.38 33.59 2wrl s VAL 106 CO -0.07 0.10 -0.04 0.00 -0.31 0.00 0.00 175.10 174.78 2wrl s ALA 107 N -1.46 0.45 -0.32 1.32 0.00 -0.69 0.34 121.76 121.40 2wrl s ALA 107 Ca 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 2wrl s ALA 107 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2wrl s ALA 107 CO 0.24 0.06 0.31 0.41 0.00 0.00 0.00 175.76 176.77 2wrl n GLY 108 N 3.36 -0.72 3.50 0.00 0.00 -1.26 -2.31 105.19 107.76 2wrl n GLY 108 Ca -0.18 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 2wrl n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrl s VAL 109 N -2.94 0.00 0.31 1.61 1.01 -1.26 -3.24 120.40 115.88 2wrl s VAL 109 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2wrl s VAL 109 Cb -0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 2wrl s VAL 109 CO 0.33 0.00 1.38 0.28 0.00 0.00 0.00 175.10 177.09 2wrl s THR 110 N -2.68 2.61 0.23 3.92 -1.32 -1.26 -4.76 115.64 112.39 2wrl s THR 110 Ca 0.01 0.57 -0.08 0.00 -1.21 0.00 0.00 61.69 60.98 2wrl s THR 110 Cb -0.01 -3.37 0.25 0.00 -1.51 0.00 0.00 72.50 67.86 2wrl s THR 110 CO -0.06 0.12 1.65 -0.08 -2.21 0.00 0.00 174.62 174.04 2wrl h GLU 111 N 3.97 0.12 -0.91 7.08 4.81 -2.01 0.40 114.58 128.03 2wrl h GLU 111 Ca -0.48 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 58.93 2wrl h GLU 111 Cb 1.22 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.47 2wrl h GLU 111 CO 0.70 0.08 0.48 1.49 -0.73 0.00 0.00 179.01 181.03 2wrl h GLU 112 N 0.12 0.58 -0.00 1.92 4.81 -1.98 0.18 114.58 120.21 2wrl h GLU 112 Ca 0.38 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.42 2wrl h GLU 112 Cb 0.65 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.91 2wrl h GLU 112 CO -0.60 0.38 -0.59 1.96 -0.73 0.00 0.00 179.01 179.42 2wrl h GLN 113 N 0.59 0.40 -0.35 1.92 4.20 -0.69 -3.12 115.11 118.06 2wrl h GLN 113 Ca 0.53 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.86 2wrl h GLN 113 Cb 0.88 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.74 2wrl h GLN 113 CO -0.42 1.10 0.10 0.00 -0.67 0.00 0.00 178.83 178.94 2wrl h ALA 114 N 0.32 0.40 0.00 3.87 0.00 0.03 0.11 119.26 123.98 2wrl h ALA 114 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wrl h ALA 114 Cb 1.31 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wrl h ALA 114 CO 0.12 -0.30 0.00 -1.33 0.00 0.00 0.00 179.25 177.74 2wrl n MET 115 N -5.05 0.24 -0.10 0.00 2.81 0.54 -2.30 117.12 113.26 2wrl n MET 115 Ca 0.01 0.13 -0.22 0.00 -1.81 0.00 0.00 57.70 55.81 2wrl n MET 115 Cb 0.14 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.07 2wrl n MET 115 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wrl n GLU 116 N -1.24 0.43 -0.27 0.03 4.07 -0.15 -3.75 120.64 119.77 2wrl n GLU 116 Ca 0.07 0.19 0.01 0.00 -0.06 0.00 0.00 57.16 57.37 2wrl n GLU 116 Cb 0.10 -1.23 0.13 0.00 -0.06 0.00 0.00 31.44 30.38 2wrl n GLU 116 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wrl h ALA 117 N -0.70 1.07 -0.41 4.31 0.00 -0.86 -1.02 119.26 121.65 2wrl h ALA 117 Ca -0.52 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2wrl h ALA 117 Cb 1.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2wrl h ALA 117 CO -0.31 0.13 0.19 -0.07 0.00 0.00 0.00 179.25 179.19 2wrl h LEU 118 N 0.80 0.54 -1.34 0.00 3.38 -1.69 -1.36 115.31 115.64 2wrl h LEU 118 Ca 0.35 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2wrl h LEU 118 Cb 0.25 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2wrl h LEU 118 CO -0.20 0.53 0.54 -0.09 0.09 0.00 0.00 178.44 179.31 2wrl h ARG 119 N 0.52 0.66 -0.05 1.13 2.43 -1.32 -0.99 114.38 116.77 2wrl h ARG 119 Ca 0.14 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2wrl h ARG 119 Cb 0.14 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wrl h ARG 119 CO -0.02 0.44 -0.17 0.82 -1.51 0.00 0.00 179.97 179.53 2wrl h ILE 120 N 0.68 1.46 -0.62 1.20 1.08 -0.88 -3.22 117.51 117.21 2wrl h ILE 120 Ca 0.40 -1.60 0.10 0.00 -0.39 0.00 0.00 64.86 63.37 2wrl h ILE 120 Cb 0.61 2.38 -0.11 0.00 -3.07 0.00 0.00 36.82 36.63 2wrl h ILE 120 CO -0.17 0.44 -0.38 0.00 -0.69 0.00 0.00 178.15 177.36 2wrl h ALA 121 N 0.41 -0.13 -0.64 1.87 0.00 -0.27 0.37 119.26 120.87 2wrl h ALA 121 Ca -0.01 0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.24 2wrl h ALA 121 Cb 0.81 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2wrl h ALA 121 CO 0.04 -0.73 0.75 0.78 0.00 0.00 0.00 179.25 180.09 2wrl h GLY 122 N -0.17 0.00 1.71 0.00 0.00 -1.23 0.19 103.07 103.56 2wrl h GLY 122 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.33 2wrl h GLY 122 CO -0.71 0.00 -0.96 0.45 0.00 0.00 0.00 176.54 175.32 2wrl h HIS 123 N 0.00 0.39 0.00 5.60 -0.00 -0.32 -3.12 115.15 117.70 2wrl h HIS 123 Ca 0.30 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 60.40 2wrl h HIS 123 Cb 1.80 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 29.17 2wrl h HIS 123 CO 0.00 1.07 -0.22 0.87 -0.00 0.00 0.00 177.93 179.65 2wrl h LYS 124 N 0.12 0.00 -6.96 2.45 1.79 -0.58 -3.44 116.57 109.96 2wrl h LYS 124 Ca -0.07 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.94 2wrl h LYS 124 Cb 1.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.26 2wrl h LYS 124 CO 0.15 0.22 0.36 -0.51 -1.08 0.00 0.00 179.45 178.60 2wrl s LEU 125 N -6.63 4.17 0.00 2.94 1.43 -1.07 -4.92 118.68 114.59 2wrl s LEU 125 Ca 0.02 1.86 0.29 0.00 -1.03 0.00 0.00 54.13 55.27 2wrl s LEU 125 Cb 0.09 -4.21 1.33 0.00 0.03 0.00 0.00 46.19 43.44 2wrl s LEU 125 CO 0.64 -0.28 1.94 -0.81 0.23 0.00 0.00 176.35 178.08 2wrl n PRO 126 N 0.04 0.39 -4.37 1.29 -0.04 -1.26 -4.88 135.00 126.17 2wrl n PRO 126 Ca 0.04 -0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.21 2wrl n PRO 126 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2wrl n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wrl s ILE 127 N -2.65 2.98 0.28 0.52 -4.36 -1.26 -5.12 121.20 111.59 2wrl s ILE 127 Ca 0.25 -2.12 -0.29 0.00 -0.26 0.00 0.00 60.65 58.23 2wrl s ILE 127 Cb 0.20 -2.62 -0.09 0.00 1.25 0.00 0.00 42.46 41.19 2wrl s ILE 127 CO 0.49 -0.37 1.06 -0.54 0.24 0.00 0.00 174.94 175.83 2wrl s LYS 128 N -3.61 4.63 0.14 0.37 1.02 -1.26 -4.93 119.74 116.10 2wrl s LYS 128 Ca 0.31 1.71 0.02 0.00 0.02 0.00 0.00 55.97 58.03 2wrl s LYS 128 Cb -0.05 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 2wrl s LYS 128 CO 0.18 0.24 -0.02 0.95 -0.92 0.00 0.00 175.35 175.78 2wrl s THR 129 N -1.22 0.66 0.16 2.17 -4.23 -1.26 -0.87 115.64 111.04 2wrl s THR 129 Ca 0.45 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.09 2wrl s THR 129 Cb -0.30 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2wrl s THR 129 CO 0.38 -0.62 -0.20 -0.75 -0.54 0.00 0.00 174.62 172.89 2wrl s LYS 130 N -3.89 1.31 -0.30 3.99 2.20 -0.02 -4.92 119.74 118.11 2wrl s LYS 130 Ca 0.20 -1.39 -0.07 0.00 -0.36 0.00 0.00 55.97 54.35 2wrl s LYS 130 Cb 0.06 -1.49 0.01 0.00 -1.51 0.00 0.00 37.83 34.90 2wrl s LYS 130 CO 0.01 0.32 0.09 0.42 -0.36 0.00 0.00 175.35 175.82 2wrl s ILE 131 N -1.76 3.98 0.21 5.43 1.01 -1.26 -0.12 121.20 128.68 2wrl s ILE 131 Ca 0.15 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.12 2wrl s ILE 131 Cb -0.07 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 2wrl s ILE 131 CO 0.07 0.05 0.26 0.68 0.00 0.00 0.00 174.94 176.00 2wrl s VAL 132 N 1.49 4.95 0.00 2.92 -7.23 -0.43 -4.93 120.40 117.18 2wrl s VAL 132 Ca 0.02 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2wrl s VAL 132 Cb -0.17 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.14 2wrl s VAL 132 CO 0.03 -0.23 0.00 0.54 -0.31 0.00 0.00 175.10 175.12 2wrl n ARG 133 N -0.95 0.00 0.00 4.82 1.74 -1.26 -1.44 116.66 119.57 2wrl n ARG 133 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2wrl n ARG 133 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2wrl n ARG 133 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wrl n ARG 134 N 0.00 0.00 0.00 5.56 5.12 -1.26 -4.41 116.66 121.67 2wrl n ARG 134 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wrl n ARG 134 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wrl n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wrl n ASP 135 N 0.00 0.00 -0.87 0.55 5.75 -1.26 -3.05 116.55 117.67 2wrl n ASP 135 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wrl n ASP 135 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2wrl n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wrl n ALA 136 N -1.94 2.40 0.24 2.12 0.00 -1.26 -4.02 120.51 118.05 2wrl n ALA 136 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrl n ALA 136 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 18.58 2wrl n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wrl n TYR 137 N 0.42 0.90 -3.10 0.00 4.02 -1.17 -4.80 117.16 113.42 2wrl n TYR 137 Ca 0.00 -0.47 -0.40 0.00 -0.01 0.00 0.00 57.90 57.02 2wrl n TYR 137 Cb 0.39 -0.33 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 2wrl n TYR 137 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wrl s ASP 138 N -0.19 6.70 -0.07 7.72 1.01 -1.26 -4.61 116.67 125.97 2wrl s ASP 138 Ca 0.21 0.85 -0.06 0.00 0.71 0.00 0.00 52.55 54.27 2wrl s ASP 138 Cb 0.17 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.76 2wrl s ASP 138 CO 0.06 -0.29 0.11 -0.62 0.21 0.00 0.00 175.17 174.64 2wrl n GLU 139 N 5.10 -4.22 -2.74 8.23 -0.58 -1.26 -5.04 120.64 120.12 2wrl n GLU 139 Ca -0.01 3.19 -0.07 0.00 -0.42 0.00 0.00 57.16 59.85 2wrl n GLU 139 Cb 0.50 -4.32 0.05 0.00 -0.57 0.00 0.00 31.44 27.09 2wrl n GLU 139 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrl n ALA 140 N 1.52 -1.83 1.02 0.62 0.00 -1.26 -5.19 120.51 115.39 2wrl n ALA 140 Ca -0.19 -1.16 0.12 0.00 0.00 0.00 0.00 53.44 52.21 2wrl n ALA 140 Cb 0.29 -1.65 0.11 0.00 0.00 0.00 0.00 19.45 18.21 2wrl n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54