#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl n ALA 4 N 0.00 0.00 -0.09 6.98 0.00 -1.26 -4.04 120.51 122.11 2wrl n ALA 4 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2wrl n ALA 4 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2wrl n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wrl n TYR 5 N 0.00 0.51 0.13 0.00 4.02 -1.26 -4.36 117.16 116.19 2wrl n TYR 5 Ca 0.00 0.13 0.03 0.00 -0.01 0.00 0.00 57.90 58.05 2wrl n TYR 5 Cb 0.00 -1.06 0.14 0.00 -0.02 0.00 0.00 39.34 38.40 2wrl n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2wrl n ASP 6 N -3.59 0.14 0.19 7.72 8.00 -1.26 -2.26 116.55 125.50 2wrl n ASP 6 Ca -0.41 0.35 -0.09 0.00 0.71 0.00 0.00 54.79 55.35 2wrl n ASP 6 Cb 0.96 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.79 2wrl n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2wrl h VAL 7 N 0.00 0.00 -3.58 2.53 2.07 -1.91 -3.42 116.25 111.94 2wrl h VAL 7 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 2wrl h VAL 7 Cb 0.96 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2wrl h VAL 7 CO 0.00 0.00 0.52 -0.63 0.02 0.00 0.00 177.57 177.48 2wrl s ILE 8 N -4.25 3.64 -0.18 4.57 1.09 -0.96 -1.64 121.20 123.47 2wrl s ILE 8 Ca -0.08 1.44 -0.09 0.00 -1.10 0.00 0.00 60.65 60.82 2wrl s ILE 8 Cb 0.01 -3.92 -0.08 0.00 -1.06 0.00 0.00 42.46 37.41 2wrl s ILE 8 CO 0.25 0.26 -0.24 0.18 -0.10 0.00 0.00 174.94 175.30 2wrl n LEU 9 N 2.18 1.32 0.00 2.97 4.77 0.22 -4.96 117.00 123.50 2wrl n LEU 9 Ca 0.03 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2wrl n LEU 9 Cb 0.45 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2wrl n LEU 9 CO 0.55 0.34 0.00 0.00 -1.33 0.00 0.00 177.39 176.94 2wrl n ALA 10 N -3.84 0.00 -3.91 -1.18 0.00 -1.20 -5.03 120.51 105.35 2wrl n ALA 10 Ca -0.35 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 2wrl n ALA 10 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.18 2wrl n ALA 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wrl n PRO 11 N 0.00 0.76 0.00 0.00 -0.04 -1.26 -3.12 135.00 131.35 2wrl n PRO 11 Ca 0.00 -3.14 0.00 0.00 -0.04 0.00 0.00 63.50 60.32 2wrl n PRO 11 Cb 0.00 0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 2wrl n PRO 11 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2wrl n VAL 12 N -1.63 0.00 -1.57 0.52 0.24 -0.97 -4.35 118.33 110.57 2wrl n VAL 12 Ca -0.03 0.69 0.00 0.00 -2.04 0.00 0.00 64.34 62.96 2wrl n VAL 12 Cb 0.57 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 2wrl n VAL 12 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wrl n LEU 13 N -0.51 -0.93 -3.53 1.34 4.77 -1.26 -4.88 117.00 111.99 2wrl n LEU 13 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2wrl n LEU 13 Cb 0.00 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2wrl n LEU 13 CO 0.00 0.00 0.31 -0.44 -1.33 0.00 0.00 177.39 175.93 2wrl s SER 14 N -2.73 -0.47 0.16 -1.43 0.01 -1.26 -4.97 113.70 103.01 2wrl s SER 14 Ca 0.00 0.10 -0.28 0.00 1.31 0.00 0.00 55.95 57.08 2wrl s SER 14 Cb 0.00 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.73 2wrl s SER 14 CO 0.00 -0.80 1.48 1.21 0.41 0.00 0.00 173.24 175.54 2wrl n GLU 15 N 0.13 -0.39 -0.12 12.44 4.07 -1.26 0.61 120.64 136.11 2wrl n GLU 15 Ca -0.18 1.46 -0.12 0.00 -0.06 0.00 0.00 57.16 58.26 2wrl n GLU 15 Cb 0.62 -2.14 -0.02 0.00 -0.06 0.00 0.00 31.44 29.83 2wrl n GLU 15 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2wrl h LYS 16 N 0.00 0.79 -0.38 5.31 3.64 -1.99 -2.85 116.57 121.09 2wrl h LYS 16 Ca 0.18 -0.35 0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2wrl h LYS 16 Cb 0.42 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 2wrl h LYS 16 CO -0.91 0.98 -0.23 0.00 -2.27 0.00 0.00 179.45 177.02 2wrl h ALA 17 N 0.80 0.02 0.11 5.00 0.00 -0.63 -3.10 119.26 121.46 2wrl h ALA 17 Ca 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wrl h ALA 17 Cb 0.74 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2wrl h ALA 17 CO 0.06 -0.61 -0.05 1.88 0.00 0.00 0.00 179.25 180.53 2wrl h TYR 18 N -0.17 -0.14 0.00 0.00 0.05 0.19 -2.89 116.97 114.01 2wrl h TYR 18 Ca 0.19 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2wrl h TYR 18 Cb 0.46 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2wrl h TYR 18 CO -0.45 0.19 0.16 0.00 -1.05 0.00 0.00 178.16 177.01 2wrl n ALA 19 N -2.33 0.59 0.10 3.88 0.00 -1.08 0.24 120.51 121.90 2wrl n ALA 19 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.40 2wrl n ALA 19 Cb 0.21 -0.50 -0.00 0.00 0.00 0.00 0.00 19.45 19.16 2wrl n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wrl h GLY 20 N 0.00 0.00 1.97 0.00 0.00 -1.49 -3.30 103.07 100.25 2wrl h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wrl h GLY 20 CO 0.00 0.00 0.01 0.69 0.00 0.00 0.00 176.54 177.24 2wrl n PHE 21 N -2.95 0.41 0.00 5.60 0.99 0.66 -2.89 117.46 119.28 2wrl n PHE 21 Ca -0.03 0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 2wrl n PHE 21 Cb 0.71 -0.84 0.00 0.00 -1.00 0.00 0.00 39.48 38.35 2wrl n PHE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wrl n ALA 22 N -1.65 0.00 -1.46 4.37 0.00 -1.24 -4.70 120.51 115.83 2wrl n ALA 22 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2wrl n ALA 22 Cb 0.03 0.03 0.19 0.00 0.00 0.00 0.00 19.45 19.70 2wrl n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wrl s GLU 23 N -0.93 0.02 -0.79 0.00 8.01 -1.16 -4.80 118.70 119.05 2wrl s GLU 23 Ca 0.00 -0.05 -0.13 0.00 0.01 0.00 0.00 54.97 54.80 2wrl s GLU 23 Cb 0.00 -1.74 -0.10 0.00 -4.31 0.00 0.00 34.13 27.98 2wrl s GLU 23 CO 0.00 -2.89 1.96 0.41 0.01 0.00 0.00 175.26 174.75 2wrl n GLY 24 N -2.13 2.76 2.82 -1.39 0.00 -1.26 -4.70 105.19 101.29 2wrl n GLY 24 Ca 0.12 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 2wrl n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s LYS 25 N 4.27 1.86 -0.13 1.61 1.02 -1.14 -0.67 119.74 126.55 2wrl s LYS 25 Ca 0.46 -2.65 -0.12 0.00 0.02 0.00 0.00 55.97 53.68 2wrl s LYS 25 Cb 0.12 -2.93 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 2wrl s LYS 25 CO 0.04 -1.20 0.26 0.71 -0.92 0.00 0.00 175.35 174.24 2wrl s TYR 26 N -0.47 3.52 -0.39 3.18 1.51 -0.66 -3.59 117.35 120.45 2wrl s TYR 26 Ca 0.21 0.60 0.01 0.00 -1.01 0.00 0.00 57.07 56.89 2wrl s TYR 26 Cb -0.16 -2.23 0.12 0.00 -0.11 0.00 0.00 41.96 39.58 2wrl s TYR 26 CO -0.07 0.40 0.17 -0.08 -1.11 0.00 0.00 175.55 174.86 2wrl s THR 27 N -0.06 1.38 0.28 -0.71 -1.32 -1.26 0.30 115.64 114.24 2wrl s THR 27 Ca 0.16 -2.16 0.10 0.00 -1.21 0.00 0.00 61.69 58.58 2wrl s THR 27 Cb -0.13 -1.99 -0.05 0.00 -1.51 0.00 0.00 72.50 68.82 2wrl s THR 27 CO 0.04 -0.78 -0.05 0.72 -2.21 0.00 0.00 174.62 172.35 2wrl s PHE 28 N 0.84 2.58 0.08 9.09 -0.12 -0.99 -2.30 117.98 127.16 2wrl s PHE 28 Ca 0.14 -0.27 -0.31 0.00 -0.05 0.00 0.00 56.93 56.44 2wrl s PHE 28 Cb -0.21 -1.19 -0.08 0.00 -0.63 0.00 0.00 43.02 40.90 2wrl s PHE 28 CO -0.10 0.62 1.63 -1.58 -0.05 0.00 0.00 175.22 175.75 2wrl s TRP 29 N -2.39 2.54 0.44 3.49 0.52 -1.18 -2.38 118.94 119.98 2wrl s TRP 29 Ca 0.32 0.39 0.02 0.00 0.02 0.00 0.00 56.10 56.84 2wrl s TRP 29 Cb -0.05 -3.95 0.02 0.00 -1.15 0.00 0.00 33.47 28.34 2wrl s TRP 29 CO 0.19 -3.74 0.14 1.33 0.02 0.00 0.00 176.95 174.88 2wrl n VAL 30 N 4.60 0.00 -2.69 4.03 0.24 -1.05 -0.61 118.33 122.85 2wrl n VAL 30 Ca 0.15 -1.94 -0.43 0.00 -2.04 0.00 0.00 64.34 60.09 2wrl n VAL 30 Cb 0.40 0.19 -0.02 0.00 -1.47 0.00 0.00 33.84 32.94 2wrl n VAL 30 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2wrl s HIS 31 N -2.43 3.39 0.10 6.34 2.46 -0.65 -4.02 115.29 120.48 2wrl s HIS 31 Ca 0.11 1.48 -0.20 0.00 0.47 0.00 0.00 55.06 56.92 2wrl s HIS 31 Cb -0.01 -3.22 -0.05 0.00 -0.13 0.00 0.00 32.58 29.17 2wrl s HIS 31 CO 0.07 -0.39 1.19 -0.35 -2.47 0.00 0.00 174.74 172.79 2wrl n PRO 32 N 5.87 -0.29 0.00 2.88 -0.04 -1.26 0.64 135.00 142.80 2wrl n PRO 32 Ca 0.10 1.17 0.00 0.00 -0.04 0.00 0.00 63.50 64.73 2wrl n PRO 32 Cb 0.47 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2wrl n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wrl n LYS 33 N -4.57 0.40 -2.31 0.54 4.76 -1.26 -4.78 118.16 110.95 2wrl n LYS 33 Ca 0.01 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 2wrl n LYS 33 Cb 0.17 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2wrl n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wrl s ALA 34 N -1.60 3.25 0.15 7.82 0.00 0.21 -5.08 121.76 126.52 2wrl s ALA 34 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2wrl s ALA 34 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 2wrl s ALA 34 CO 0.00 -0.47 0.21 0.99 0.00 0.00 0.00 175.76 176.49 2wrl s THR 35 N -2.90 4.89 -2.00 0.00 2.01 -1.26 -4.96 115.64 111.42 2wrl s THR 35 Ca 0.51 -0.88 0.15 0.00 0.31 0.00 0.00 61.69 61.79 2wrl s THR 35 Cb -0.11 -3.50 0.44 0.00 0.01 0.00 0.00 72.50 69.34 2wrl s THR 35 CO 0.47 -0.09 1.49 2.29 -0.69 0.00 0.00 174.62 178.09 2wrl n LYS 36 N -0.42 0.85 -0.08 4.92 2.85 -1.26 0.11 118.16 125.14 2wrl n LYS 36 Ca -0.08 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.08 2wrl n LYS 36 Cb 0.54 -1.29 -0.07 0.00 -0.65 0.00 0.00 35.03 33.57 2wrl n LYS 36 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2wrl n THR 37 N -0.79 0.88 -0.32 0.58 -1.04 -1.26 -3.49 114.28 108.84 2wrl n THR 37 Ca 0.12 -0.34 -0.04 0.00 -2.04 0.00 0.00 64.05 61.75 2wrl n THR 37 Cb 0.05 -1.03 0.08 0.00 -1.82 0.00 0.00 70.33 67.62 2wrl n THR 37 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2wrl h GLU 38 N 0.00 1.12 0.38 -2.82 4.81 -1.70 -2.33 114.58 114.05 2wrl h GLU 38 Ca -0.34 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2wrl h GLU 38 Cb 1.54 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2wrl h GLU 38 CO -0.05 0.74 -0.18 0.82 -0.73 0.00 0.00 179.01 179.61 2wrl h ILE 39 N 1.16 0.63 -0.27 2.32 1.08 0.63 -2.97 117.51 120.08 2wrl h ILE 39 Ca 0.31 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.79 2wrl h ILE 39 Cb -0.13 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2wrl h ILE 39 CO -0.07 0.00 -0.16 1.17 -0.69 0.00 0.00 178.15 178.41 2wrl n LYS 40 N -5.31 -0.12 0.03 2.37 4.81 -0.89 -2.42 118.16 116.64 2wrl n LYS 40 Ca -0.11 1.13 -0.09 0.00 -0.87 0.00 0.00 58.31 58.38 2wrl n LYS 40 Cb 0.22 -1.69 -0.05 0.00 0.02 0.00 0.00 35.03 33.53 2wrl n LYS 40 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2wrl h ASN 41 N 0.00 -0.88 0.00 3.14 -0.26 -1.59 -1.75 115.58 114.23 2wrl h ASN 41 Ca 0.04 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 2wrl h ASN 41 Cb 0.11 0.33 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 2wrl h ASN 41 CO -0.25 -0.28 0.00 0.00 -1.06 0.00 0.00 177.43 175.83 2wrl n ALA 42 N -2.74 0.56 0.00 -0.83 0.00 -1.02 -0.04 120.51 116.44 2wrl n ALA 42 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wrl n ALA 42 Cb 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2wrl n ALA 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrl n VAL 43 N 0.29 0.00 1.01 0.00 0.31 -0.72 -4.55 118.33 114.66 2wrl n VAL 43 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2wrl n VAL 43 Cb 0.00 -0.70 0.08 0.00 -0.91 0.00 0.00 33.84 32.31 2wrl n VAL 43 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2wrl n GLU 44 N -2.50 0.50 -2.08 5.55 0.28 0.94 -2.13 120.64 121.20 2wrl n GLU 44 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2wrl n GLU 44 Cb 0.16 -1.08 0.03 0.00 1.43 0.00 0.00 31.44 31.98 2wrl n GLU 44 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2wrl n THR 45 N -0.58 0.45 -0.61 3.84 -2.24 -0.89 -3.80 114.28 110.44 2wrl n THR 45 Ca 0.02 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 2wrl n THR 45 Cb 0.01 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2wrl n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrl n ALA 46 N -0.29 0.00 -1.37 6.98 0.00 -0.91 -4.76 120.51 120.17 2wrl n ALA 46 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wrl n ALA 46 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 2wrl n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wrl n PHE 47 N 0.00 0.00 -4.06 0.00 3.01 -0.94 -5.03 117.46 110.43 2wrl n PHE 47 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.01 2wrl n PHE 47 Cb 0.04 0.02 0.02 0.00 -0.01 0.00 0.00 39.48 39.55 2wrl n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2wrl n LYS 48 N 0.00 -0.31 -4.60 -1.08 5.02 -1.22 -4.97 118.16 111.00 2wrl n LYS 48 Ca 0.00 0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 2wrl n LYS 48 Cb 0.29 -2.32 -0.07 0.00 -0.02 0.00 0.00 35.03 32.90 2wrl n LYS 48 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2wrl n VAL 49 N -4.80 0.00 -4.35 -0.18 0.24 -1.25 -4.96 118.33 103.04 2wrl n VAL 49 Ca -0.12 -2.49 -0.33 0.00 -2.04 0.00 0.00 64.34 59.35 2wrl n VAL 49 Cb 0.56 0.77 -0.15 0.00 -1.47 0.00 0.00 33.84 33.54 2wrl n VAL 49 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wrl s LYS 50 N -3.72 3.19 -0.29 7.34 2.20 -1.26 -4.04 119.74 123.16 2wrl s LYS 50 Ca 0.15 -0.75 -0.18 0.00 -0.36 0.00 0.00 55.97 54.83 2wrl s LYS 50 Cb 0.01 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2wrl s LYS 50 CO 0.10 -0.07 0.53 0.08 -0.36 0.00 0.00 175.35 175.64 2wrl s VAL 51 N 1.02 5.04 -0.14 4.02 1.01 -1.26 -1.10 120.40 128.98 2wrl s VAL 51 Ca -0.01 0.74 0.17 0.00 0.00 0.00 0.00 61.98 62.87 2wrl s VAL 51 Cb -0.15 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.11 2wrl s VAL 51 CO -0.03 -0.02 0.31 0.52 0.00 0.00 0.00 175.10 175.87 2wrl n VAL 52 N 5.26 1.36 -3.84 2.92 0.31 0.29 -4.93 118.33 119.70 2wrl n VAL 52 Ca -0.04 -0.81 -0.12 0.00 -0.01 0.00 0.00 64.34 63.36 2wrl n VAL 52 Cb 0.49 -0.61 -0.12 0.00 -0.91 0.00 0.00 33.84 32.69 2wrl n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2wrl s LYS 53 N -2.61 0.23 -0.12 5.55 2.47 -1.22 -4.99 119.74 119.05 2wrl s LYS 53 Ca -0.08 0.02 -0.03 0.00 -1.56 0.00 0.00 55.97 54.33 2wrl s LYS 53 Cb 0.07 0.10 0.05 0.00 -1.46 0.00 0.00 37.83 36.59 2wrl s LYS 53 CO 0.83 -0.04 0.05 0.08 0.16 0.00 0.00 175.35 176.43 2wrl s VAL 54 N -0.30 0.15 -0.10 4.02 1.01 -1.26 0.79 120.40 124.70 2wrl s VAL 54 Ca -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wrl s VAL 54 Cb -0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2wrl s VAL 54 CO 0.00 -0.03 -0.00 0.20 0.00 0.00 0.00 175.10 175.27 2wrl s ASN 55 N 2.05 5.18 0.26 3.32 0.02 -0.35 -4.99 114.94 120.42 2wrl s ASN 55 Ca 0.03 0.10 0.01 0.00 -1.02 0.00 0.00 52.86 51.98 2wrl s ASN 55 Cb -0.14 -1.53 -0.05 0.00 0.02 0.00 0.00 41.25 39.55 2wrl s ASN 55 CO -0.06 0.34 0.10 0.28 0.02 0.00 0.00 177.10 177.77 2wrl s THR 56 N -0.65 0.58 -0.29 1.60 -1.32 -1.26 -0.47 115.64 113.83 2wrl s THR 56 Ca 0.10 -2.00 -0.38 0.00 -1.21 0.00 0.00 61.69 58.21 2wrl s THR 56 Cb -0.12 -2.64 0.16 0.00 -1.51 0.00 0.00 72.50 68.39 2wrl s THR 56 CO 0.02 0.00 1.38 -1.48 -2.21 0.00 0.00 174.62 172.33 2wrl s LEU 57 N -3.32 -0.01 0.00 9.08 -0.00 -1.14 -5.01 118.68 118.27 2wrl s LEU 57 Ca 0.38 0.00 -0.07 0.00 -0.00 0.00 0.00 54.13 54.44 2wrl s LEU 57 Cb 0.08 1.04 0.18 0.00 -0.00 0.00 0.00 46.19 47.49 2wrl s LEU 57 CO 0.14 -0.02 1.16 1.41 -0.00 0.00 0.00 176.35 179.03 2wrl n HIS 58 N 0.04 -3.36 -3.28 3.48 8.25 -1.26 -3.24 115.22 115.86 2wrl n HIS 58 Ca 0.05 -1.56 -0.07 0.00 -0.26 0.00 0.00 57.72 55.88 2wrl n HIS 58 Cb 0.56 -0.87 -0.05 0.00 1.12 0.00 0.00 29.99 30.76 2wrl n HIS 58 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wrl s VAL 59 N -3.49 -0.69 -0.11 1.59 1.01 -0.90 -4.78 120.40 113.03 2wrl s VAL 59 Ca 0.71 -0.35 -0.32 0.00 0.00 0.00 0.00 61.98 62.03 2wrl s VAL 59 Cb -0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.49 2wrl s VAL 59 CO 0.49 -0.26 1.99 -1.14 0.00 0.00 0.00 175.10 176.18 2wrl n ARG 60 N 4.98 2.20 -1.74 2.72 0.63 -1.26 -2.59 116.66 121.59 2wrl n ARG 60 Ca 0.05 0.76 -0.42 0.00 -0.92 0.00 0.00 57.85 57.32 2wrl n ARG 60 Cb 0.50 -2.81 -0.03 0.00 0.45 0.00 0.00 32.46 30.57 2wrl n ARG 60 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2wrl s GLY 61 N 5.21 1.32 0.19 5.14 0.00 -1.25 -4.90 107.32 113.02 2wrl s GLY 61 Ca 0.95 1.14 -0.33 0.00 0.00 0.00 0.00 44.72 46.48 2wrl s GLY 61 CO 0.47 3.43 1.39 0.28 0.00 0.00 0.00 173.10 178.66 2wrl n LYS 62 N 7.66 1.76 -3.13 2.90 5.02 -1.26 -4.14 118.16 126.97 2wrl n LYS 62 Ca 0.21 0.63 -0.39 0.00 -2.02 0.00 0.00 58.31 56.74 2wrl n LYS 62 Cb 0.42 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.10 2wrl n LYS 62 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wrl s LYS 63 N 0.03 4.36 0.11 1.97 -2.85 -1.26 -0.96 119.74 121.14 2wrl s LYS 63 Ca 0.74 0.71 0.04 0.00 -1.00 0.00 0.00 55.97 56.46 2wrl s LYS 63 Cb -0.74 -3.47 -0.04 0.00 -2.06 0.00 0.00 37.83 31.52 2wrl s LYS 63 CO 0.47 0.02 -0.11 0.15 0.10 0.00 0.00 175.35 175.98 2wrl s LYS 64 N 1.01 0.93 0.34 1.78 1.02 -0.75 -4.94 119.74 119.14 2wrl s LYS 64 Ca 0.33 -1.25 0.08 0.00 0.02 0.00 0.00 55.97 55.14 2wrl s LYS 64 Cb -0.17 -0.63 -0.03 0.00 -0.52 0.00 0.00 37.83 36.49 2wrl s LYS 64 CO 0.14 0.10 0.29 0.50 -0.92 0.00 0.00 175.35 175.46 2wrl s ARG 65 N -3.00 2.68 -0.34 1.68 3.52 -1.26 -1.73 118.95 120.50 2wrl s ARG 65 Ca 0.09 -1.34 0.06 0.00 -0.13 0.00 0.00 55.73 54.41 2wrl s ARG 65 Cb -0.02 -2.44 0.18 0.00 -1.56 0.00 0.00 34.95 31.11 2wrl s ARG 65 CO 0.01 0.07 0.55 -1.17 -0.81 0.00 0.00 175.30 173.95 2wrl s LEU 66 N -3.99 -1.31 0.00 -0.88 0.20 -0.61 -4.97 118.68 107.12 2wrl s LEU 66 Ca 0.41 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.85 2wrl s LEU 66 Cb -0.05 1.71 0.00 0.00 -0.43 0.00 0.00 46.19 47.42 2wrl s LEU 66 CO 0.26 -0.27 0.00 0.61 -0.29 0.00 0.00 176.35 176.67 2wrl n GLY 67 N 4.99 1.74 0.14 7.98 0.00 -1.26 -1.93 105.19 116.85 2wrl n GLY 67 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2wrl n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wrl n ARG 68 N 8.10 0.95 -4.02 1.61 -4.01 -1.26 -4.65 116.66 113.37 2wrl n ARG 68 Ca 0.00 0.00 -0.34 0.00 -1.04 0.00 0.00 57.85 56.47 2wrl n ARG 68 Cb 0.00 -1.13 -0.15 0.00 -3.04 0.00 0.00 32.46 28.14 2wrl n ARG 68 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 2wrl s TYR 69 N -1.73 2.98 -0.10 2.89 1.51 -0.81 -5.10 117.35 116.99 2wrl s TYR 69 Ca 0.00 -1.61 -0.02 0.00 -1.01 0.00 0.00 57.07 54.43 2wrl s TYR 69 Cb 0.00 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 2wrl s TYR 69 CO 0.00 -0.75 -0.00 -1.17 -1.11 0.00 0.00 175.55 172.51 2wrl s LEU 70 N 1.30 3.53 0.00 -1.29 0.20 -1.26 -1.57 118.68 119.59 2wrl s LEU 70 Ca 0.01 0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.93 2wrl s LEU 70 Cb -0.16 -1.81 0.00 0.00 -0.43 0.00 0.00 46.19 43.79 2wrl s LEU 70 CO -0.07 0.34 0.00 0.61 -0.29 0.00 0.00 176.35 176.94 2wrl n GLY 71 N 2.41 4.58 3.13 7.98 0.00 -0.70 -5.02 105.19 117.56 2wrl n GLY 71 Ca -0.18 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2wrl n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s LYS 72 N 0.80 0.45 0.24 1.61 1.02 -1.26 -1.80 119.74 120.79 2wrl s LYS 72 Ca 0.00 -0.17 -0.22 0.00 0.02 0.00 0.00 55.97 55.60 2wrl s LYS 72 Cb 0.00 0.19 -0.09 0.00 -0.52 0.00 0.00 37.83 37.42 2wrl s LYS 72 CO 0.00 -0.10 0.79 1.03 -0.92 0.00 0.00 175.35 176.14 2wrl s ARG 73 N -0.95 4.38 0.57 1.68 0.52 -0.14 -4.90 118.95 120.12 2wrl s ARG 73 Ca -0.10 1.03 -0.20 0.00 -0.52 0.00 0.00 55.73 55.93 2wrl s ARG 73 Cb -0.05 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.45 2wrl s ARG 73 CO 0.02 0.39 1.19 -0.35 0.02 0.00 0.00 175.30 176.57 2wrl n PRO 74 N 0.82 1.31 -2.80 3.54 -0.04 -1.26 -3.88 135.00 132.69 2wrl n PRO 74 Ca -0.02 0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 63.52 2wrl n PRO 74 Cb 0.50 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 2wrl n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wrl s ASP 75 N -1.08 7.41 0.26 3.54 1.11 -1.26 -4.07 116.67 122.58 2wrl s ASP 75 Ca 0.74 1.69 0.00 0.00 0.18 0.00 0.00 52.55 55.16 2wrl s ASP 75 Cb -0.42 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.02 2wrl s ASP 75 CO 0.48 -0.05 0.03 0.54 1.18 0.00 0.00 175.17 177.34 2wrl n ARG 76 N 2.85 1.35 -3.10 8.23 3.00 -1.07 -4.90 116.66 123.02 2wrl n ARG 76 Ca 0.01 -1.83 -0.18 0.00 -0.01 0.00 0.00 57.85 55.84 2wrl n ARG 76 Cb 0.50 0.45 -0.05 0.00 0.00 0.00 0.00 32.46 33.36 2wrl n ARG 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2wrl n LYS 77 N -0.70 0.45 -1.08 5.56 4.81 -1.26 -2.12 118.16 123.82 2wrl n LYS 77 Ca -0.09 -2.69 -0.33 0.00 -0.87 0.00 0.00 58.31 54.33 2wrl n LYS 77 Cb 0.32 -1.51 0.13 0.00 0.02 0.00 0.00 35.03 33.99 2wrl n LYS 77 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2wrl s LYS 78 N 0.14 1.61 -0.27 1.64 -2.85 -1.20 -2.54 119.74 116.27 2wrl s LYS 78 Ca 0.32 1.68 -0.15 0.00 -1.00 0.00 0.00 55.97 56.82 2wrl s LYS 78 Cb 0.08 -1.78 0.08 0.00 -2.06 0.00 0.00 37.83 34.15 2wrl s LYS 78 CO -0.15 -2.22 0.65 0.00 0.10 0.00 0.00 175.35 173.73 2wrl s ALA 79 N -2.28 -1.77 0.13 0.59 0.00 -1.00 -2.89 121.76 114.53 2wrl s ALA 79 Ca 0.71 2.30 -0.06 0.00 0.00 0.00 0.00 51.96 54.91 2wrl s ALA 79 Cb -0.27 -1.39 -0.06 0.00 0.00 0.00 0.00 23.12 21.41 2wrl s ALA 79 CO 0.52 -0.41 0.38 0.96 0.00 0.00 0.00 175.76 177.21 2wrl s ILE 80 N 1.71 5.15 -0.05 0.00 -4.36 0.38 -2.35 121.20 121.68 2wrl s ILE 80 Ca -0.10 0.12 0.03 0.00 -0.26 0.00 0.00 60.65 60.44 2wrl s ILE 80 Cb -0.06 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 40.03 2wrl s ILE 80 CO -0.19 0.08 -0.12 0.68 0.24 0.00 0.00 174.94 175.63 2wrl s VAL 81 N -1.61 1.07 -0.12 8.37 -7.23 0.15 -1.22 120.40 119.81 2wrl s VAL 81 Ca 0.40 -0.48 -0.16 0.00 -1.81 0.00 0.00 61.98 59.92 2wrl s VAL 81 Cb -0.12 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 2wrl s VAL 81 CO 0.23 0.33 0.40 -1.58 -0.31 0.00 0.00 175.10 174.17 2wrl s GLN 82 N 0.38 4.25 -0.14 4.82 2.00 0.24 -1.65 119.66 129.55 2wrl s GLN 82 Ca -0.08 0.31 -0.05 0.00 -2.00 0.00 0.00 55.36 53.54 2wrl s GLN 82 Cb -0.13 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.25 2wrl s GLN 82 CO 0.02 0.26 0.05 0.08 -0.50 0.00 0.00 175.29 175.20 2wrl s VAL 83 N 0.33 4.67 0.21 1.34 1.01 0.16 -0.55 120.40 127.57 2wrl s VAL 83 Ca 0.22 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 2wrl s VAL 83 Cb -0.14 -3.04 -0.15 0.00 0.00 0.00 0.00 36.38 33.05 2wrl s VAL 83 CO 0.08 0.54 0.38 0.00 0.00 0.00 0.00 175.10 176.10 2wrl n ALA 84 N 2.82 -2.68 -1.63 5.51 0.00 -0.26 -4.52 120.51 119.75 2wrl n ALA 84 Ca -0.18 0.33 -0.60 0.00 0.00 0.00 0.00 53.44 52.99 2wrl n ALA 84 Cb 0.53 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 2wrl n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wrl n PRO 85 N 0.94 0.48 0.00 0.00 -0.04 -1.26 -2.48 135.00 132.64 2wrl n PRO 85 Ca 0.15 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2wrl n PRO 85 Cb 0.25 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2wrl n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wrl n GLY 86 N 2.93 2.03 2.65 0.55 0.00 -1.26 -5.05 105.19 107.05 2wrl n GLY 86 Ca 0.24 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2wrl n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrl n GLN 87 N 0.00 0.00 -3.64 1.61 6.02 -1.03 -5.01 117.38 115.32 2wrl n GLN 87 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 2wrl n GLN 87 Cb 0.00 -0.86 -0.07 0.00 1.02 0.00 0.00 30.24 30.33 2wrl n GLN 87 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2wrl s LYS 88 N -1.45 0.41 -0.25 -1.09 -2.85 -1.26 -4.84 119.74 108.40 2wrl s LYS 88 Ca 0.39 0.49 -0.22 0.00 -1.00 0.00 0.00 55.97 55.64 2wrl s LYS 88 Cb -0.24 0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.71 2wrl s LYS 88 CO 0.67 -0.05 0.69 0.42 0.10 0.00 0.00 175.35 177.18 2wrl s ILE 89 N 0.22 4.93 0.15 3.79 1.01 -1.26 -4.93 121.20 125.11 2wrl s ILE 89 Ca 0.04 1.26 -0.08 0.00 0.00 0.00 0.00 60.65 61.88 2wrl s ILE 89 Cb -0.05 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 2wrl s ILE 89 CO -0.08 -0.01 1.42 -0.33 0.00 0.00 0.00 174.94 175.93 2wrl h GLU 90 N 7.84 0.68 0.00 2.79 4.39 -2.00 -3.14 114.58 125.13 2wrl h GLU 90 Ca -0.26 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 58.96 2wrl h GLU 90 Cb 1.11 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2wrl h GLU 90 CO 0.81 1.10 0.72 0.00 -1.16 0.00 0.00 179.01 180.48 2wrl h ALA 91 N 0.78 1.66 0.00 3.43 0.00 -2.01 0.21 119.26 123.34 2wrl h ALA 91 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wrl h ALA 91 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wrl h ALA 91 CO 0.13 -0.66 -1.03 1.28 0.00 0.00 0.00 179.25 178.96 2wrl n LEU 92 N -2.38 0.01 0.27 0.00 4.77 -1.19 -4.71 117.00 113.77 2wrl n LEU 92 Ca -0.01 -0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.02 2wrl n LEU 92 Cb 0.74 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 42.20 2wrl n LEU 92 CO 0.04 0.00 1.08 -0.33 -1.33 0.00 0.00 177.39 176.85 2wrl h GLU 93 N 0.00 0.00 0.10 3.23 4.39 -0.55 -2.44 114.58 119.31 2wrl h GLU 93 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wrl h GLU 93 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2wrl h GLU 93 CO 0.00 0.00 -0.05 0.78 -1.16 0.00 0.00 179.01 178.58 2wrl h GLY 94 N 0.00 -0.14 0.00 -3.84 0.00 -1.85 -3.52 103.07 93.72 2wrl h GLY 94 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2wrl h GLY 94 CO -0.00 -0.05 0.00 -0.10 0.00 0.00 0.00 176.54 176.39