#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s LYS 2 N 0.00 2.30 0.42 2.12 3.01 -1.26 -5.09 119.74 121.24 2wrl s LYS 2 Ca 0.00 -1.08 0.04 0.00 -1.01 0.00 0.00 55.97 53.92 2wrl s LYS 2 Cb 0.00 -2.67 0.04 0.00 -1.01 0.00 0.00 37.83 34.19 2wrl s LYS 2 CO 0.00 -0.46 0.33 2.41 0.51 0.00 0.00 175.35 178.14 2wrl n THR 3 N 4.56 0.00 -0.68 2.17 -1.04 -1.26 -5.05 114.28 112.98 2wrl n THR 3 Ca -0.16 -1.63 0.00 0.00 -2.04 0.00 0.00 64.05 60.22 2wrl n THR 3 Cb 0.45 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 2wrl n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wrl n TYR 4 N -1.50 0.00 0.00 -1.42 4.02 -1.26 -5.12 117.16 111.88 2wrl n TYR 4 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2wrl n TYR 4 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2wrl n TYR 4 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2wrl n VAL 5 N 0.00 0.00 -3.11 -0.72 0.31 -1.26 -4.89 118.33 108.65 2wrl n VAL 5 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2wrl n VAL 5 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 2wrl n VAL 5 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2wrl s PRO 6 N 0.00 3.90 0.79 5.55 0.04 -1.26 -5.08 135.00 138.94 2wrl s PRO 6 Ca 0.00 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.46 2wrl s PRO 6 Cb 0.00 -2.46 0.06 0.00 0.04 0.00 0.00 34.50 32.14 2wrl s PRO 6 CO 0.00 0.13 1.10 0.15 0.04 0.00 0.00 177.00 178.42 2wrl s LYS 7 N -3.20 2.19 -0.09 4.56 1.02 -1.26 -4.74 119.74 118.22 2wrl s LYS 7 Ca 0.52 0.60 -0.01 0.00 0.02 0.00 0.00 55.97 57.10 2wrl s LYS 7 Cb -0.10 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2wrl s LYS 7 CO 0.22 -1.54 1.06 1.04 -0.92 0.00 0.00 175.35 175.21 2wrl n GLN 8 N -3.37 0.00 -0.66 1.68 6.02 -1.26 -4.83 117.38 114.95 2wrl n GLN 8 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 2wrl n GLN 8 Cb 0.56 -0.96 0.18 0.00 1.02 0.00 0.00 30.24 31.04 2wrl n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wrl n VAL 9 N 4.42 0.00 -3.71 5.09 0.31 -1.26 -4.96 118.33 118.22 2wrl n VAL 9 Ca 0.06 -0.29 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 2wrl n VAL 9 Cb 0.45 -0.70 -0.08 0.00 -0.91 0.00 0.00 33.84 32.60 2wrl n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wrl s GLU 10 N -3.72 4.16 -0.68 5.55 2.56 -1.26 -5.03 118.70 120.29 2wrl s GLU 10 Ca 0.59 -0.23 -0.26 0.00 0.00 0.00 0.00 54.97 55.07 2wrl s GLU 10 Cb -0.17 -3.45 -0.08 0.00 2.00 0.00 0.00 34.13 32.44 2wrl s GLU 10 CO 0.66 0.25 2.23 -1.25 -0.56 0.00 0.00 175.26 176.59 2wrl s PRO 11 N 0.51 2.11 -0.18 4.30 0.04 -1.26 -4.94 135.00 135.58 2wrl s PRO 11 Ca 0.08 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 2wrl s PRO 11 Cb -0.12 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.73 2wrl s PRO 11 CO -0.01 -3.58 1.02 0.50 0.04 0.00 0.00 177.00 174.97 2wrl s ARG 12 N 8.03 4.32 0.74 4.56 3.52 -1.26 -4.80 118.95 134.07 2wrl s ARG 12 Ca 0.86 1.37 -0.10 0.00 -0.13 0.00 0.00 55.73 57.72 2wrl s ARG 12 Cb -0.13 -3.60 0.05 0.00 -1.56 0.00 0.00 34.95 29.71 2wrl s ARG 12 CO 0.14 -0.50 1.10 -1.58 -0.81 0.00 0.00 175.30 173.65 2wrl s TRP 13 N 2.71 3.09 -0.09 5.12 0.52 -1.26 -3.01 118.94 126.02 2wrl s TRP 13 Ca 0.46 0.78 -0.23 0.00 0.02 0.00 0.00 56.10 57.12 2wrl s TRP 13 Cb -0.16 -3.24 0.05 0.00 -1.15 0.00 0.00 33.47 28.97 2wrl s TRP 13 CO 0.11 -1.44 0.54 0.08 0.02 0.00 0.00 176.95 176.26 2wrl s VAL 14 N -3.40 0.02 -0.00 4.03 1.01 -0.97 -4.13 120.40 116.96 2wrl s VAL 14 Ca 0.60 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.51 2wrl s VAL 14 Cb -0.11 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2wrl s VAL 14 CO 0.49 -0.07 -0.21 -0.22 0.00 0.00 0.00 175.10 175.09 2wrl s LEU 15 N -0.79 2.07 -0.26 3.92 1.98 -1.26 -0.79 118.68 123.56 2wrl s LEU 15 Ca -0.09 -0.41 -0.25 0.00 -2.89 0.00 0.00 54.13 50.49 2wrl s LEU 15 Cb -0.03 -1.04 0.07 0.00 0.66 0.00 0.00 46.19 45.86 2wrl s LEU 15 CO 0.06 0.23 0.75 -0.51 -1.89 0.00 0.00 176.35 174.98 2wrl s ILE 16 N -0.56 0.00 -0.37 6.68 2.07 -0.56 0.34 121.20 128.80 2wrl s ILE 16 Ca 0.08 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.38 2wrl s ILE 16 Cb -0.08 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.69 2wrl s ILE 16 CO -0.00 0.00 0.56 -0.62 -1.91 0.00 0.00 174.94 172.97 2wrl s ASP 17 N 0.29 -0.91 -1.09 4.50 3.68 -1.26 -3.50 116.67 118.38 2wrl s ASP 17 Ca -0.00 -0.72 -0.04 0.00 2.13 0.00 0.00 52.55 53.91 2wrl s ASP 17 Cb -0.05 1.66 0.30 0.00 -1.45 0.00 0.00 42.92 43.38 2wrl s ASP 17 CO 0.01 -0.22 1.50 0.00 0.13 0.00 0.00 175.17 176.58 2wrl n ALA 18 N 4.64 5.18 -0.30 3.66 0.00 -1.26 -4.85 120.51 127.57 2wrl n ALA 18 Ca 0.09 -4.78 0.24 0.00 0.00 0.00 0.00 53.44 48.99 2wrl n ALA 18 Cb 0.54 -2.38 0.45 0.00 0.00 0.00 0.00 19.45 18.06 2wrl n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wrl n GLU 19 N 1.45 -0.06 -1.31 0.00 0.28 -1.26 0.95 120.64 120.69 2wrl n GLU 19 Ca 0.27 1.31 -0.30 0.00 -0.16 0.00 0.00 57.16 58.28 2wrl n GLU 19 Cb 0.33 -2.26 0.05 0.00 1.43 0.00 0.00 31.44 30.99 2wrl n GLU 19 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wrl n GLY 20 N -1.32 5.20 3.48 -1.84 0.00 -1.26 -1.00 105.19 108.45 2wrl n GLY 20 Ca 0.31 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 2wrl n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrl s LYS 21 N -3.11 2.14 -0.66 1.61 2.36 0.27 -4.68 119.74 117.67 2wrl s LYS 21 Ca 0.53 -0.94 -0.26 0.00 -2.55 0.00 0.00 55.97 52.75 2wrl s LYS 21 Cb 0.41 -2.24 -0.06 0.00 -1.05 0.00 0.00 37.83 34.89 2wrl s LYS 21 CO -0.09 0.55 2.15 0.99 1.55 0.00 0.00 175.35 180.50 2wrl s THR 22 N -0.95 3.20 0.36 3.43 2.01 -1.24 -0.83 115.64 121.62 2wrl s THR 22 Ca 0.15 -0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 2wrl s THR 22 Cb -0.11 -3.49 -0.13 0.00 0.01 0.00 0.00 72.50 68.78 2wrl s THR 22 CO 0.06 -0.47 0.80 0.00 -0.69 0.00 0.00 174.62 174.32 2wrl n LEU 23 N 15.08 1.08 0.00 4.42 -0.00 -0.90 0.13 117.00 136.82 2wrl n LEU 23 Ca 0.34 1.05 0.00 0.00 -0.00 0.00 0.00 56.01 57.40 2wrl n LEU 23 Cb 0.50 -1.21 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 2wrl n LEU 23 CO 0.66 -2.08 0.00 0.61 -0.00 0.00 0.00 177.39 176.58 2wrl n GLY 24 N 1.48 2.50 0.15 1.47 0.00 -1.26 -4.62 105.19 104.90 2wrl n GLY 24 Ca 0.11 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.56 2wrl n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wrl h ARG 25 N 0.00 0.00 0.00 1.61 2.47 0.73 -2.25 114.38 116.94 2wrl h ARG 25 Ca 0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 2wrl h ARG 25 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2wrl h ARG 25 CO 0.00 0.57 -1.53 1.47 0.56 0.00 0.00 179.97 181.04 2wrl n LEU 26 N -3.58 0.00 0.00 3.04 -0.00 -0.96 -4.27 117.00 111.24 2wrl n LEU 26 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 2wrl n LEU 26 Cb 0.63 0.08 0.32 0.00 -0.00 0.00 0.00 43.42 44.44 2wrl n LEU 26 CO 0.41 0.08 0.73 0.00 -0.00 0.00 0.00 177.39 178.60 2wrl n ALA 27 N -2.02 1.68 0.03 1.47 0.00 -1.22 -1.49 120.51 118.96 2wrl n ALA 27 Ca -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 2wrl n ALA 27 Cb 0.44 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 2wrl n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl h THR 28 N 0.00 1.01 0.07 0.00 1.03 -1.58 -3.22 112.91 110.22 2wrl h THR 28 Ca 0.00 -2.70 -0.00 0.00 -0.01 0.00 0.00 66.41 63.70 2wrl h THR 28 Cb 0.24 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 2wrl h THR 28 CO 0.00 0.58 -0.03 0.11 -0.01 0.00 0.00 175.52 176.17 2wrl h LYS 29 N 0.00 -0.09 -1.06 0.00 1.57 -1.48 -3.21 116.57 112.31 2wrl h LYS 29 Ca -0.15 0.01 0.39 0.00 -1.87 0.00 0.00 60.65 59.02 2wrl h LYS 29 Cb 1.78 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 33.95 2wrl h LYS 29 CO 0.08 0.25 0.60 0.82 -0.57 0.00 0.00 179.45 180.64 2wrl h ILE 30 N -0.99 0.13 0.51 1.86 2.04 -1.56 0.50 117.51 120.00 2wrl h ILE 30 Ca -0.01 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2wrl h ILE 30 Cb 0.38 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2wrl h ILE 30 CO 0.01 0.02 -0.27 0.00 0.00 0.00 0.00 178.15 177.92 2wrl h ALA 31 N 1.88 -0.72 -0.50 1.87 0.00 -1.62 0.15 119.26 120.31 2wrl h ALA 31 Ca 0.80 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.69 2wrl h ALA 31 Cb 2.10 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 20.17 2wrl h ALA 31 CO -0.65 -0.91 0.36 1.15 0.00 0.00 0.00 179.25 179.19 2wrl h THR 32 N -0.72 0.78 -0.01 0.00 2.02 -0.06 -1.05 112.91 113.88 2wrl h THR 32 Ca -0.07 -0.03 -0.25 0.00 0.77 0.00 0.00 66.41 66.84 2wrl h THR 32 Cb 0.57 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2wrl h THR 32 CO 0.09 0.01 -0.98 -0.07 0.37 0.00 0.00 175.52 174.94 2wrl h LEU 33 N 0.08 0.73 -1.12 2.58 4.07 -0.40 -1.74 115.31 119.51 2wrl h LEU 33 Ca 0.24 -0.58 -0.02 0.00 0.08 0.00 0.00 57.88 57.60 2wrl h LEU 33 Cb 0.84 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 2wrl h LEU 33 CO -0.02 1.38 0.35 -0.07 -1.08 0.00 0.00 178.44 179.00 2wrl h LEU 34 N 0.32 0.87 -6.89 1.67 -0.00 0.61 -2.58 115.31 109.32 2wrl h LEU 34 Ca -0.10 -0.08 -0.77 0.00 -0.00 0.00 0.00 57.88 56.92 2wrl h LEU 34 Cb 1.63 -0.22 -0.30 0.00 -0.00 0.00 0.00 40.66 41.76 2wrl h LEU 34 CO 0.18 0.72 0.52 0.54 -0.00 0.00 0.00 178.44 180.41 2wrl n ARG 35 N -4.35 4.04 -0.16 1.13 1.74 -1.05 -3.44 116.66 114.58 2wrl n ARG 35 Ca 0.07 -4.56 -0.01 0.00 -0.77 0.00 0.00 57.85 52.58 2wrl n ARG 35 Cb 0.12 -2.47 -0.01 0.00 -1.02 0.00 0.00 32.46 29.08 2wrl n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 36 N 1.41 -0.02 0.55 -0.13 0.00 -0.99 -4.48 105.19 101.53 2wrl n GLY 36 Ca 0.26 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.35 2wrl n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrl n LYS 37 N 0.69 1.03 0.02 1.61 4.81 -0.66 -4.33 118.16 121.33 2wrl n LYS 37 Ca 0.02 -1.30 0.01 0.00 -0.87 0.00 0.00 58.31 56.17 2wrl n LYS 37 Cb 0.06 -1.26 -0.09 0.00 0.02 0.00 0.00 35.03 33.75 2wrl n LYS 37 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2wrl n HIS 38 N 0.72 0.78 -3.79 5.64 1.44 -1.26 -4.88 115.22 113.88 2wrl n HIS 38 Ca 0.08 0.26 -0.36 0.00 -2.01 0.00 0.00 57.72 55.69 2wrl n HIS 38 Cb 0.35 -1.02 -0.08 0.00 0.12 0.00 0.00 29.99 29.37 2wrl n HIS 38 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2wrl s ARG 39 N -2.96 3.96 0.00 -1.40 1.70 -1.26 -4.97 118.95 114.02 2wrl s ARG 39 Ca -0.04 -0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.02 2wrl s ARG 39 Cb 0.09 -3.34 0.00 0.00 -0.57 0.00 0.00 34.95 31.13 2wrl s ARG 39 CO 0.82 0.43 0.00 -0.35 -1.08 0.00 0.00 175.30 175.13 2wrl n PRO 40 N 3.08 0.00 -0.28 3.89 -0.04 -1.26 -1.93 135.00 138.47 2wrl n PRO 40 Ca -0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.40 2wrl n PRO 40 Cb 0.53 -0.94 0.26 0.00 -0.04 0.00 0.00 33.50 33.31 2wrl n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wrl n ASP 41 N -0.07 3.62 -4.59 3.54 9.92 -1.26 -5.01 116.55 122.70 2wrl n ASP 41 Ca 0.00 -1.98 -0.56 0.00 -0.53 0.00 0.00 54.79 51.72 2wrl n ASP 41 Cb 0.00 -0.37 -0.07 0.00 -0.64 0.00 0.00 41.12 40.04 2wrl n ASP 41 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2wrl n TRP 42 N 1.44 1.35 -3.58 1.24 -0.00 -0.81 -4.84 117.44 112.24 2wrl n TRP 42 Ca 0.21 0.79 -0.21 0.00 -0.00 0.00 0.00 57.50 58.28 2wrl n TRP 42 Cb 0.59 -2.27 -0.15 0.00 -0.00 0.00 0.00 31.31 29.47 2wrl n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2wrl s THR 43 N 0.96 -0.21 0.41 5.87 2.01 -1.26 -5.04 115.64 118.37 2wrl s THR 43 Ca 0.90 -0.03 0.22 0.00 0.31 0.00 0.00 61.69 63.10 2wrl s THR 43 Cb -1.10 -0.55 0.42 0.00 0.01 0.00 0.00 72.50 71.28 2wrl s THR 43 CO 0.55 -0.16 1.72 1.55 -0.69 0.00 0.00 174.62 177.59 2wrl h PRO 44 N 8.37 0.27 -3.97 4.92 0.13 -1.99 -3.30 132.00 136.43 2wrl h PRO 44 Ca -0.15 -0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.27 2wrl h PRO 44 Cb 1.14 -0.06 -0.36 0.00 0.13 0.00 0.00 31.00 31.85 2wrl h PRO 44 CO 0.25 0.18 -0.48 0.54 -0.23 0.00 0.00 178.00 178.26 2wrl s ASN 45 N -4.98 5.12 0.00 1.44 6.03 -1.26 -4.84 114.94 116.45 2wrl s ASN 45 Ca -0.08 -2.53 0.00 0.00 -1.03 0.00 0.00 52.86 49.22 2wrl s ASN 45 Cb 0.27 -1.81 0.00 0.00 -3.03 0.00 0.00 41.25 36.68 2wrl s ASN 45 CO 0.80 -0.42 0.00 0.55 -2.03 0.00 0.00 177.10 176.01 2wrl n VAL 46 N 3.90 0.00 0.00 3.54 3.14 -1.24 -5.09 118.33 122.58 2wrl n VAL 46 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 2wrl n VAL 46 Cb 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 2wrl n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wrl n ALA 47 N -1.12 0.00 -1.31 1.55 0.00 -1.26 -5.00 120.51 113.37 2wrl n ALA 47 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2wrl n ALA 47 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2wrl n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wrl n MET 48 N 0.00 2.53 -2.56 0.00 2.81 -1.26 -4.96 117.12 113.67 2wrl n MET 48 Ca 0.00 -2.97 -0.41 0.00 -1.81 0.00 0.00 57.70 52.50 2wrl n MET 48 Cb 0.00 -2.16 -0.04 0.00 -0.71 0.00 0.00 33.22 30.31 2wrl n MET 48 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2wrl s GLY 49 N -1.33 2.77 -0.23 3.03 0.00 -1.22 -3.57 107.32 106.76 2wrl s GLY 49 Ca 0.57 0.73 -0.29 0.00 0.00 0.00 0.00 44.72 45.73 2wrl s GLY 49 CO -0.05 1.73 1.19 0.99 0.00 0.00 0.00 173.10 176.96 2wrl s ASP 50 N 0.43 6.92 -0.49 1.64 1.01 -1.11 -4.65 116.67 120.43 2wrl s ASP 50 Ca 0.52 1.42 -0.26 0.00 0.71 0.00 0.00 52.55 54.93 2wrl s ASP 50 Cb -0.27 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.05 2wrl s ASP 50 CO 0.31 -0.83 2.41 0.49 0.21 0.00 0.00 175.17 177.76 2wrl n PHE 51 N 6.81 1.44 -3.21 4.23 3.01 -1.17 -4.61 117.46 123.97 2wrl n PHE 51 Ca 0.13 0.11 -0.39 0.00 1.01 0.00 0.00 57.45 58.31 2wrl n PHE 51 Cb 0.46 -2.64 -0.06 0.00 -0.01 0.00 0.00 39.48 37.23 2wrl n PHE 51 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2wrl s VAL 52 N 11.78 5.08 0.01 -4.37 1.01 -1.26 -2.28 120.40 130.38 2wrl s VAL 52 Ca 1.00 1.04 -0.04 0.00 0.00 0.00 0.00 61.98 63.98 2wrl s VAL 52 Cb -0.23 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2wrl s VAL 52 CO 0.28 0.17 0.22 -0.69 0.00 0.00 0.00 175.10 175.08 2wrl s VAL 53 N 1.62 5.38 -0.38 2.92 1.01 0.03 -1.49 120.40 129.49 2wrl s VAL 53 Ca 0.26 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2wrl s VAL 53 Cb -0.16 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.81 2wrl s VAL 53 CO 0.10 0.31 0.23 -0.69 0.00 0.00 0.00 175.10 175.05 2wrl s VAL 54 N -1.35 0.46 0.91 2.92 1.01 -0.24 -1.49 120.40 122.62 2wrl s VAL 54 Ca 0.29 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.13 2wrl s VAL 54 Cb -0.13 -1.33 0.15 0.00 0.00 0.00 0.00 36.38 35.07 2wrl s VAL 54 CO 0.19 -0.99 1.24 0.54 0.00 0.00 0.00 175.10 176.08 2wrl s VAL 55 N 0.81 1.98 -1.05 2.92 0.11 -1.23 -1.64 120.40 122.30 2wrl s VAL 55 Ca 0.19 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.05 2wrl s VAL 55 Cb -0.21 -2.96 0.02 0.00 -1.53 0.00 0.00 36.38 31.70 2wrl s VAL 55 CO -0.01 0.00 0.69 -3.20 -3.33 0.00 0.00 175.10 169.25 2wrl n ASN 56 N -3.63 -4.91 -2.86 3.54 4.05 -0.98 -4.59 115.26 105.89 2wrl n ASN 56 Ca 0.11 -1.05 0.00 0.00 0.45 0.00 0.00 54.58 54.09 2wrl n ASN 56 Cb 0.60 -2.35 0.00 0.00 1.23 0.00 0.00 39.78 39.26 2wrl n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wrl n ALA 57 N -3.92 0.00 0.00 5.20 0.00 0.21 -4.53 120.51 117.47 2wrl n ALA 57 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wrl n ALA 57 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2wrl n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wrl n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.24 -4.40 116.55 116.65 2wrl n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wrl n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wrl n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wrl n LYS 59 N 0.00 0.00 -1.21 0.11 4.76 -1.26 -4.81 118.16 115.75 2wrl n LYS 59 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 2wrl n LYS 59 Cb 0.00 -2.97 0.04 0.00 -1.84 0.00 0.00 35.03 30.25 2wrl n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wrl n ILE 60 N -0.78 0.69 -4.04 -0.18 5.41 -0.17 -4.22 119.36 116.07 2wrl n ILE 60 Ca 0.00 -0.47 -0.34 0.00 1.00 0.00 0.00 62.75 62.94 2wrl n ILE 60 Cb 0.00 -0.27 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 2wrl n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2wrl s ARG 61 N -1.82 3.92 -0.27 0.38 1.81 -0.01 -4.86 118.95 118.09 2wrl s ARG 61 Ca 0.57 -0.37 0.01 0.00 -1.72 0.00 0.00 55.73 54.22 2wrl s ARG 61 Cb -0.38 -3.19 0.08 0.00 -0.45 0.00 0.00 34.95 31.01 2wrl s ARG 61 CO 0.66 0.25 0.00 0.54 -0.68 0.00 0.00 175.30 176.07 2wrl s VAL 62 N 0.43 1.55 0.00 3.52 0.11 -1.26 -2.12 120.40 122.63 2wrl s VAL 62 Ca 0.02 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.56 2wrl s VAL 62 Cb -0.13 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2wrl s VAL 62 CO 0.01 -0.34 0.00 0.41 -3.33 0.00 0.00 175.10 171.85 2wrl n THR 63 N 4.62 0.00 0.00 5.04 -1.04 -1.26 -4.70 114.28 116.94 2wrl n THR 63 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2wrl n THR 63 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 2wrl n THR 63 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wrl n GLY 64 N 0.00 0.66 3.53 3.41 0.00 -1.26 -4.87 105.19 106.66 2wrl n GLY 64 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2wrl n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrl n LYS 65 N 0.00 0.86 -0.41 1.61 4.76 -1.26 -4.64 118.16 119.08 2wrl n LYS 65 Ca 0.00 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2wrl n LYS 65 Cb 0.00 -2.88 0.00 0.00 -1.84 0.00 0.00 35.03 30.31 2wrl n LYS 65 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wrl n LYS 66 N 8.79 0.00 -3.88 1.97 4.76 -1.26 -4.63 118.16 123.90 2wrl n LYS 66 Ca 0.44 -0.86 -0.28 0.00 -2.87 0.00 0.00 58.31 54.74 2wrl n LYS 66 Cb 0.39 -0.47 -0.16 0.00 -1.84 0.00 0.00 35.03 32.95 2wrl n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wrl s LEU 67 N 0.00 1.66 0.00 -0.35 1.43 -1.26 -3.85 118.68 116.30 2wrl s LEU 67 Ca 0.00 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2wrl s LEU 67 Cb 0.00 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2wrl s LEU 67 CO 0.00 -0.20 0.00 -0.62 0.23 0.00 0.00 176.35 175.76 2wrl n GLU 68 N 4.87 0.00 -0.10 1.70 1.02 -1.26 -4.79 120.64 122.08 2wrl n GLU 68 Ca -0.12 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.81 2wrl n GLU 68 Cb 0.47 -0.32 -0.11 0.00 -0.02 0.00 0.00 31.44 31.46 2wrl n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wrl n GLN 69 N -1.93 0.56 -2.73 3.49 1.13 -1.26 -4.83 117.38 111.81 2wrl n GLN 69 Ca 0.00 0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 55.21 2wrl n GLN 69 Cb 0.00 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 28.58 2wrl n GLN 69 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wrl s LYS 70 N -2.36 4.45 0.06 -1.09 2.47 -1.25 -5.02 119.74 117.00 2wrl s LYS 70 Ca -0.29 1.34 0.06 0.00 -1.56 0.00 0.00 55.97 55.52 2wrl s LYS 70 Cb 0.06 -3.52 -0.03 0.00 -1.46 0.00 0.00 37.83 32.89 2wrl s LYS 70 CO 0.58 -0.22 -0.15 0.42 0.16 0.00 0.00 175.35 176.13 2wrl s ILE 71 N 1.66 1.23 0.23 5.43 1.01 -1.26 -2.47 121.20 127.03 2wrl s ILE 71 Ca 0.48 -1.21 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2wrl s ILE 71 Cb -0.19 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 2wrl s ILE 71 CO 0.20 -0.09 0.22 -0.31 0.00 0.00 0.00 174.94 174.97 2wrl s TYR 72 N -1.06 3.20 0.12 3.97 1.51 0.30 -4.93 117.35 120.46 2wrl s TYR 72 Ca 0.01 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 56.07 2wrl s TYR 72 Cb -0.09 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 2wrl s TYR 72 CO 0.02 0.51 -0.15 0.99 -1.11 0.00 0.00 175.55 175.80 2wrl s THR 73 N -2.01 1.39 -0.30 -0.71 2.01 -1.26 -1.60 115.64 113.16 2wrl s THR 73 Ca 0.33 -1.65 -0.11 0.00 0.31 0.00 0.00 61.69 60.57 2wrl s THR 73 Cb -0.09 -1.49 0.13 0.00 0.01 0.00 0.00 72.50 71.06 2wrl s THR 73 CO 0.26 -0.34 0.68 -0.60 -0.69 0.00 0.00 174.62 173.93 2wrl s ARG 74 N -2.45 0.57 -0.36 4.92 3.52 -1.05 -5.00 118.95 119.09 2wrl s ARG 74 Ca 0.08 1.39 -0.01 0.00 -0.13 0.00 0.00 55.73 57.06 2wrl s ARG 74 Cb -0.06 0.79 0.09 0.00 -1.56 0.00 0.00 34.95 34.21 2wrl s ARG 74 CO 0.03 -0.19 0.11 -0.47 -0.81 0.00 0.00 175.30 173.98 2wrl s TYR 75 N 2.77 3.54 0.19 5.12 5.04 -1.26 -0.71 117.35 132.03 2wrl s TYR 75 Ca -0.06 -2.42 -0.30 0.00 -2.44 0.00 0.00 57.07 51.85 2wrl s TYR 75 Cb -0.11 -2.86 -0.08 0.00 0.35 0.00 0.00 41.96 39.26 2wrl s TYR 75 CO -0.19 -0.93 1.11 -1.54 -1.34 0.00 0.00 175.55 172.67 2wrl s SER 76 N 1.47 7.24 0.33 4.32 1.04 -0.99 -4.87 113.70 122.25 2wrl s SER 76 Ca 0.05 2.12 0.02 0.00 0.48 0.00 0.00 55.95 58.62 2wrl s SER 76 Cb -0.21 -2.61 0.10 0.00 0.10 0.00 0.00 66.02 63.40 2wrl s SER 76 CO -0.04 -0.24 0.83 0.61 0.98 0.00 0.00 173.24 175.37 2wrl n GLY 77 N 2.01 -0.30 3.85 7.32 0.00 -1.26 -4.44 105.19 112.37 2wrl n GLY 77 Ca 0.03 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2wrl n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wrl s TYR 78 N -3.04 2.91 0.19 1.61 1.51 -1.26 -4.98 117.35 114.28 2wrl s TYR 78 Ca -0.00 0.91 -0.31 0.00 -1.01 0.00 0.00 57.07 56.66 2wrl s TYR 78 Cb 0.01 -3.31 -0.10 0.00 -0.11 0.00 0.00 41.96 38.44 2wrl s TYR 78 CO 0.02 -1.78 1.54 -2.14 -1.11 0.00 0.00 175.55 172.08 2wrl s PRO 79 N -5.39 4.22 0.00 -1.71 0.02 -1.26 -1.95 135.00 128.93 2wrl s PRO 79 Ca 0.61 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.99 2wrl s PRO 79 Cb -0.12 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2wrl s PRO 79 CO 0.52 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 2wrl n GLY 80 N 3.38 0.16 0.00 0.52 0.00 -1.26 -4.84 105.19 103.14 2wrl n GLY 80 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wrl n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLY 81 N -0.87 0.00 3.73 -0.02 0.00 -0.82 -4.74 105.19 102.47 2wrl n GLY 81 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wrl n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wrl s LEU 82 N -1.54 4.51 -0.09 0.99 0.20 -1.26 -2.33 118.68 119.15 2wrl s LEU 82 Ca 0.00 1.93 0.04 0.00 0.69 0.00 0.00 54.13 56.79 2wrl s LEU 82 Cb 0.00 -3.60 -0.00 0.00 -0.43 0.00 0.00 46.19 42.16 2wrl s LEU 82 CO 0.00 -0.10 -0.24 -0.75 -0.29 0.00 0.00 176.35 174.96 2wrl s LYS 83 N -0.26 2.98 -0.13 1.98 2.20 0.11 -5.00 119.74 121.62 2wrl s LYS 83 Ca 0.47 -0.88 -0.03 0.00 -0.36 0.00 0.00 55.97 55.17 2wrl s LYS 83 Cb -0.26 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2wrl s LYS 83 CO 0.32 0.21 -0.01 0.15 -0.36 0.00 0.00 175.35 175.66 2wrl s LYS 84 N 0.27 3.46 -0.10 4.03 1.02 -1.26 -2.53 119.74 124.62 2wrl s LYS 84 Ca -0.17 -0.45 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 2wrl s LYS 84 Cb -0.17 -2.91 0.04 0.00 -0.52 0.00 0.00 37.83 34.27 2wrl s LYS 84 CO 0.08 0.42 0.04 0.42 -0.92 0.00 0.00 175.35 175.39 2wrl s ILE 85 N -0.10 0.16 0.99 2.17 1.01 -0.63 -4.95 121.20 119.86 2wrl s ILE 85 Ca 0.04 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 2wrl s ILE 85 Cb -0.13 -0.52 0.19 0.00 0.01 0.00 0.00 42.46 42.02 2wrl s ILE 85 CO 0.02 0.04 1.21 -2.16 0.00 0.00 0.00 174.94 174.05 2wrl s PRO 86 N 2.05 0.48 0.02 2.79 0.04 -1.26 0.11 135.00 139.22 2wrl s PRO 86 Ca 0.03 -0.08 -0.26 0.00 0.04 0.00 0.00 61.00 60.73 2wrl s PRO 86 Cb -0.14 -1.80 -0.16 0.00 0.04 0.00 0.00 34.50 32.44 2wrl s PRO 86 CO -0.06 -2.57 1.28 -0.07 0.04 0.00 0.00 177.00 175.61 2wrl h LEU 87 N -1.76 -0.47 -0.66 -3.56 3.38 -1.73 -2.86 115.31 107.66 2wrl h LEU 87 Ca -0.46 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 57.54 2wrl h LEU 87 Cb 1.28 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 42.03 2wrl h LEU 87 CO 0.47 -0.13 -0.12 -0.62 0.09 0.00 0.00 178.44 178.12 2wrl n GLU 88 N -5.22 -0.06 -0.10 1.13 1.02 -1.26 0.25 120.64 116.41 2wrl n GLU 88 Ca -0.10 1.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.93 2wrl n GLU 88 Cb 0.29 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 2wrl n GLU 88 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wrl h LYS 89 N 0.00 0.63 0.79 3.49 1.79 -1.95 -0.89 116.57 120.43 2wrl h LYS 89 Ca 0.34 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 2wrl h LYS 89 Cb 0.56 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2wrl h LYS 89 CO -0.67 0.87 -0.50 0.52 -1.08 0.00 0.00 179.45 178.60 2wrl h MET 90 N 0.38 -1.17 -0.55 3.15 2.86 0.36 0.48 114.93 120.44 2wrl h MET 90 Ca 0.06 0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.87 2wrl h MET 90 Cb 0.70 0.27 -0.07 0.00 0.06 0.00 0.00 31.60 32.56 2wrl h MET 90 CO 0.05 -0.78 0.18 -0.07 1.06 0.00 0.00 176.91 177.35 2wrl h LEU 91 N -1.22 0.16 -1.37 1.22 3.38 -0.69 -0.04 115.31 116.75 2wrl h LEU 91 Ca -0.11 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.10 2wrl h LEU 91 Cb 0.98 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 2wrl h LEU 91 CO 0.10 0.11 0.57 0.00 0.09 0.00 0.00 178.44 179.31 2wrl h ALA 92 N 1.39 1.97 -3.01 1.53 0.00 -0.69 -3.34 119.26 117.11 2wrl h ALA 92 Ca 0.27 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 2wrl h ALA 92 Cb 0.33 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 17.71 2wrl h ALA 92 CO -0.29 -0.23 -0.55 -0.08 0.00 0.00 0.00 179.25 178.10 2wrl s THR 93 N -5.58 -0.23 -0.58 0.00 -1.32 0.17 -4.88 115.64 103.23 2wrl s THR 93 Ca -0.09 0.25 -0.01 0.00 -1.21 0.00 0.00 61.69 60.63 2wrl s THR 93 Cb 0.22 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.85 2wrl s THR 93 CO 0.78 0.10 0.48 1.41 -2.21 0.00 0.00 174.62 175.19 2wrl n HIS 94 N 4.88 -1.08 0.72 9.09 8.25 -1.22 -4.33 115.22 131.52 2wrl n HIS 94 Ca -0.14 0.45 0.02 0.00 -0.26 0.00 0.00 57.72 57.78 2wrl n HIS 94 Cb 0.51 -3.37 0.09 0.00 1.12 0.00 0.00 29.99 28.34 2wrl n HIS 94 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2wrl n PRO 95 N -2.50 0.36 -0.08 -0.41 -0.04 -1.10 -2.57 135.00 128.66 2wrl n PRO 95 Ca -0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 2wrl n PRO 95 Cb 0.57 -1.14 -0.14 0.00 -0.04 0.00 0.00 33.50 32.75 2wrl n PRO 95 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wrl n GLU 96 N -0.64 0.68 -0.16 0.54 0.00 -1.26 -3.71 120.64 116.09 2wrl n GLU 96 Ca 0.02 0.14 0.05 0.00 0.00 0.00 0.00 57.16 57.37 2wrl n GLU 96 Cb 0.01 -1.61 0.34 0.00 0.00 0.00 0.00 31.44 30.19 2wrl n GLU 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wrl h ARG 97 N 0.01 0.76 -1.14 3.44 3.08 -1.88 0.54 114.38 119.19 2wrl h ARG 97 Ca -0.48 -0.05 0.32 0.00 0.07 0.00 0.00 59.98 59.84 2wrl h ARG 97 Cb 2.08 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.89 2wrl h ARG 97 CO 0.02 0.50 0.79 0.28 -1.07 0.00 0.00 179.97 180.49 2wrl h VAL 98 N 0.78 0.43 0.00 2.04 2.07 -1.69 0.58 116.25 120.46 2wrl h VAL 98 Ca 0.28 -0.05 -0.25 0.00 0.82 0.00 0.00 66.70 67.50 2wrl h VAL 98 Cb 0.12 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2wrl h VAL 98 CO -0.08 0.03 -1.72 -0.11 0.02 0.00 0.00 177.57 175.70 2wrl n LEU 99 N -4.36 1.93 -0.10 2.57 -0.00 0.12 -3.99 117.00 113.17 2wrl n LEU 99 Ca 0.26 0.38 -0.07 0.00 -0.00 0.00 0.00 56.01 56.58 2wrl n LEU 99 Cb 1.13 -0.82 -0.01 0.00 -0.00 0.00 0.00 43.42 43.72 2wrl n LEU 99 CO 0.34 0.19 0.68 -0.33 -0.00 0.00 0.00 177.39 178.27 2wrl h GLU 100 N -1.00 -0.20 -0.86 1.96 5.08 0.38 0.61 114.58 120.55 2wrl h GLU 100 Ca -0.38 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.19 2wrl h GLU 100 Cb 1.29 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 30.46 2wrl h GLU 100 CO -0.23 -0.13 0.34 0.45 -1.00 0.00 0.00 179.01 178.44 2wrl h HIS 101 N -0.21 0.57 0.00 4.33 3.86 -0.07 2.09 115.15 125.71 2wrl h HIS 101 Ca 0.17 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2wrl h HIS 101 Cb 0.48 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2wrl h HIS 101 CO -0.46 -0.04 0.00 0.00 0.86 0.00 0.00 177.93 178.29 2wrl n ALA 102 N -2.54 1.89 -0.05 2.45 0.00 0.17 -2.39 120.51 120.04 2wrl n ALA 102 Ca 0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 2wrl n ALA 102 Cb 0.59 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 2wrl n ALA 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrl n VAL 103 N -1.73 0.55 -0.08 0.00 0.31 0.40 -4.31 118.33 113.48 2wrl n VAL 103 Ca 0.04 -0.15 0.25 0.00 -0.01 0.00 0.00 64.34 64.47 2wrl n VAL 103 Cb 0.25 -1.49 0.72 0.00 -0.91 0.00 0.00 33.84 32.40 2wrl n VAL 103 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2wrl h LYS 104 N -0.30 0.00 -0.43 5.55 3.64 0.27 0.81 116.57 126.11 2wrl h LYS 104 Ca -0.25 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 2wrl h LYS 104 Cb 1.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2wrl h LYS 104 CO -0.13 0.00 0.07 0.78 -2.27 0.00 0.00 179.45 177.89 2wrl h GLY 105 N 0.00 0.71 -2.60 5.01 0.00 -1.61 -2.93 103.07 101.65 2wrl h GLY 105 Ca 0.34 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2wrl h GLY 105 CO -0.00 0.38 0.00 1.03 0.00 0.00 0.00 176.54 177.95 2wrl n MET 106 N -4.28 3.29 -4.29 4.80 2.81 0.28 -4.87 117.12 114.87 2wrl n MET 106 Ca 0.03 -2.26 -0.34 0.00 -1.81 0.00 0.00 57.70 53.31 2wrl n MET 106 Cb 0.23 -1.82 -0.10 0.00 -0.71 0.00 0.00 33.22 30.82 2wrl n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wrl s LEU 107 N -1.64 3.52 1.02 4.03 1.43 -1.11 -4.98 118.68 120.95 2wrl s LEU 107 Ca 0.40 0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 2wrl s LEU 107 Cb 0.27 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2wrl s LEU 107 CO 0.18 0.25 -0.37 -0.81 0.23 0.00 0.00 176.35 175.83 2wrl n PRO 108 N 3.02 -0.53 0.04 1.29 -0.04 -1.26 -4.94 135.00 132.57 2wrl n PRO 108 Ca -0.18 -0.14 -0.14 0.00 -0.04 0.00 0.00 63.50 63.01 2wrl n PRO 108 Cb 0.53 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2wrl n PRO 108 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wrl h LYS 109 N -1.47 0.15 -6.12 0.54 6.56 -1.94 -3.37 116.57 110.93 2wrl h LYS 109 Ca -0.46 -0.26 -0.37 0.00 -1.06 0.00 0.00 60.65 58.50 2wrl h LYS 109 Cb 1.33 0.10 0.20 0.00 -0.57 0.00 0.00 32.23 33.28 2wrl h LYS 109 CO 0.30 0.96 -1.40 0.41 -2.06 0.00 0.00 179.45 177.66 2wrl n GLY 110 N 1.61 -2.51 0.41 3.86 0.00 -1.26 -4.51 105.19 102.79 2wrl n GLY 110 Ca -0.15 -0.46 0.23 0.00 0.00 0.00 0.00 46.02 45.64 2wrl n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wrl h PRO 111 N -1.81 0.00 0.00 1.61 0.11 -1.99 -2.32 132.00 127.59 2wrl h PRO 111 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2wrl h PRO 111 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wrl h PRO 111 CO 0.23 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 177.91 2wrl n LEU 112 N -4.17 0.00 0.00 2.35 7.94 -1.26 -0.74 117.00 121.12 2wrl n LEU 112 Ca 0.12 0.96 0.02 0.00 -1.11 0.00 0.00 56.01 56.00 2wrl n LEU 112 Cb 0.73 -0.46 0.13 0.00 0.53 0.00 0.00 43.42 44.34 2wrl n LEU 112 CO 0.35 -0.46 0.33 0.61 -1.11 0.00 0.00 177.39 177.10 2wrl n GLY 113 N -0.97 -0.19 0.13 -3.96 0.00 -0.91 -0.66 105.19 98.63 2wrl n GLY 113 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2wrl n GLY 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrl n ARG 114 N -0.87 0.64 -0.21 1.61 0.63 -0.81 -3.89 116.66 113.77 2wrl n ARG 114 Ca 0.03 0.32 -0.07 0.00 -0.92 0.00 0.00 57.85 57.22 2wrl n ARG 114 Cb 0.01 -1.62 0.08 0.00 0.45 0.00 0.00 32.46 31.38 2wrl n ARG 114 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2wrl h ARG 115 N -0.52 1.04 0.00 -0.14 2.43 0.97 -1.58 114.38 116.58 2wrl h ARG 115 Ca -0.51 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 2wrl h ARG 115 Cb 1.70 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 2wrl h ARG 115 CO -0.17 0.95 0.00 1.28 -1.51 0.00 0.00 179.97 180.52 2wrl n LEU 116 N -4.22 0.23 0.10 3.80 4.77 0.17 -0.62 117.00 121.23 2wrl n LEU 116 Ca 0.04 0.60 0.05 0.00 -0.03 0.00 0.00 56.01 56.68 2wrl n LEU 116 Cb 0.28 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 2wrl n LEU 116 CO 0.42 -0.65 0.08 0.15 -1.33 0.00 0.00 177.39 176.06 2wrl h PHE 117 N 0.00 0.00 -0.52 -1.77 3.57 -1.39 -3.27 116.94 113.56 2wrl h PHE 117 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2wrl h PHE 117 Cb 0.03 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2wrl h PHE 117 CO 0.00 0.32 -0.09 0.87 -2.23 0.00 0.00 178.31 177.18 2wrl h LYS 118 N 0.00 0.94 0.02 1.11 1.57 -0.93 -3.14 116.57 116.14 2wrl h LYS 118 Ca -0.06 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.42 2wrl h LYS 118 Cb 1.30 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2wrl h LYS 118 CO 0.03 0.98 -0.38 0.00 -0.57 0.00 0.00 179.45 179.51 2wrl h ARG 119 N 0.85 -0.53 -6.35 3.15 2.47 -1.60 -3.41 114.38 108.96 2wrl h ARG 119 Ca 0.14 0.04 -0.63 0.00 -1.26 0.00 0.00 59.98 58.26 2wrl h ARG 119 Cb 0.62 0.12 0.04 0.00 -1.65 0.00 0.00 29.97 29.10 2wrl h ARG 119 CO 0.04 -0.35 0.81 -0.11 0.56 0.00 0.00 179.97 180.92 2wrl n LEU 120 N -5.44 2.76 -3.89 3.04 -0.00 -1.19 -4.22 117.00 108.07 2wrl n LEU 120 Ca -0.06 1.06 -0.29 0.00 -0.00 0.00 0.00 56.01 56.73 2wrl n LEU 120 Cb 0.36 -1.32 -0.16 0.00 -0.00 0.00 0.00 43.42 42.29 2wrl n LEU 120 CO 0.18 -0.42 -0.42 -0.75 -0.00 0.00 0.00 177.39 175.98 2wrl s LYS 121 N 1.98 1.40 -0.02 1.96 2.47 -0.56 -4.99 119.74 121.98 2wrl s LYS 121 Ca 0.86 -0.60 0.07 0.00 -1.56 0.00 0.00 55.97 54.75 2wrl s LYS 121 Cb -0.80 -2.13 -0.02 0.00 -1.46 0.00 0.00 37.83 33.43 2wrl s LYS 121 CO 0.47 -0.48 -0.23 0.08 0.16 0.00 0.00 175.35 175.35 2wrl s VAL 122 N 1.61 1.81 0.05 4.02 1.01 -1.26 -1.08 120.40 126.56 2wrl s VAL 122 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2wrl s VAL 122 Cb -0.16 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2wrl s VAL 122 CO -0.07 0.51 -0.04 -0.31 0.00 0.00 0.00 175.10 175.18 2wrl s TYR 123 N -0.49 0.54 -0.89 5.22 1.51 -0.65 -4.99 117.35 117.60 2wrl s TYR 123 Ca 0.07 -0.83 -0.02 0.00 -1.01 0.00 0.00 57.07 55.28 2wrl s TYR 123 Cb -0.09 -0.36 0.26 0.00 -0.11 0.00 0.00 41.96 41.66 2wrl s TYR 123 CO -0.00 -0.25 2.14 0.00 -1.11 0.00 0.00 175.55 176.33 2wrl n ALA 124 N 0.64 6.42 -1.00 3.71 0.00 -1.26 0.66 120.51 129.68 2wrl n ALA 124 Ca -0.17 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.19 2wrl n ALA 124 Cb 0.59 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2wrl n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 125 N 0.13 -2.01 1.88 0.00 0.00 -1.26 -4.37 105.19 99.56 2wrl n GLY 125 Ca 0.52 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2wrl n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wrl n PRO 126 N 0.00 -1.94 -0.95 1.61 -0.04 -1.26 -4.37 135.00 128.05 2wrl n PRO 126 Ca 0.00 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 2wrl n PRO 126 Cb 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2wrl n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wrl n ASP 127 N -2.63 -1.39 -4.14 3.54 9.92 -1.26 -4.62 116.55 115.97 2wrl n ASP 127 Ca 0.06 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.91 2wrl n ASP 127 Cb 0.25 -0.70 -0.02 0.00 -0.64 0.00 0.00 41.12 40.01 2wrl n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wrl n HIS 128 N 0.47 4.22 -1.50 1.24 1.44 -1.26 -4.81 115.22 115.02 2wrl n HIS 128 Ca 0.00 -3.73 -0.22 0.00 -2.01 0.00 0.00 57.72 51.76 2wrl n HIS 128 Cb 0.00 -1.36 -0.23 0.00 0.12 0.00 0.00 29.99 28.53 2wrl n HIS 128 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2wrl n PRO 129 N 2.15 0.01 0.00 -1.40 -0.04 -1.26 -4.42 135.00 130.04 2wrl n PRO 129 Ca 0.24 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2wrl n PRO 129 Cb 0.37 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2wrl n PRO 129 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2wrl n HIS 130 N 5.84 0.00 -3.62 0.54 1.44 -1.26 -5.14 115.22 113.02 2wrl n HIS 130 Ca 0.68 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.99 2wrl n HIS 130 Cb 0.14 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.15 2wrl n HIS 130 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2wrl s GLN 131 N -0.06 2.60 0.00 -1.40 2.00 -1.26 -4.81 119.66 116.73 2wrl s GLN 131 Ca 0.00 -1.42 0.00 0.00 -2.00 0.00 0.00 55.36 51.94 2wrl s GLN 131 Cb 0.00 -3.74 0.00 0.00 0.80 0.00 0.00 33.01 30.07 2wrl s GLN 131 CO 0.00 -0.92 0.18 0.00 -0.50 0.00 0.00 175.29 174.05 2wrl n ALA 132 N 4.90 1.02 0.00 1.58 0.00 -1.26 -5.11 120.51 121.64 2wrl n ALA 132 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2wrl n ALA 132 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2wrl n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wrl n GLN 133 N -0.06 -0.10 0.00 0.00 7.27 -1.26 -5.05 117.38 118.18 2wrl n GLN 133 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2wrl n GLN 133 Cb 0.12 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.77 2wrl n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2wrl n ARG 134 N -1.91 0.00 -0.31 3.69 1.85 -1.26 -4.86 116.66 113.86 2wrl n ARG 134 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 2wrl n ARG 134 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 2wrl n ARG 134 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2wrl n PRO 135 N 0.00 0.44 -0.49 2.89 -0.02 -1.26 -4.44 135.00 132.12 2wrl n PRO 135 Ca 0.00 -0.85 -0.18 0.00 -2.02 0.00 0.00 63.50 60.44 2wrl n PRO 135 Cb 0.00 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.22 2wrl n PRO 135 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wrl n GLU 136 N 5.66 0.00 -1.52 -0.52 2.13 -1.26 -4.27 120.64 120.87 2wrl n GLU 136 Ca 0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2wrl n GLU 136 Cb 0.14 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.41 2wrl n GLU 136 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2wrl n LYS 137 N 0.44 2.09 -3.02 5.31 5.02 0.15 -4.84 118.16 123.32 2wrl n LYS 137 Ca 0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 2wrl n LYS 137 Cb 0.05 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.05 2wrl n LYS 137 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wrl n LEU 138 N 0.00 -0.72 0.00 -0.35 4.77 -1.26 -4.82 117.00 114.61 2wrl n LEU 138 Ca 0.00 -4.32 0.00 0.00 -0.03 0.00 0.00 56.01 51.66 2wrl n LEU 138 Cb 0.00 0.75 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 2wrl n LEU 138 CO 0.00 2.11 0.00 1.21 -1.33 0.00 0.00 177.39 179.38