#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkt n ASP 2 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.81 116.55 114.12 1wkt n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1wkt n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1wkt n ASP 2 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wkt n GLY 3 N 0.00 0.78 3.76 0.27 0.00 -1.25 -4.61 105.19 104.14 1wkt n GLY 3 Ca 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.92 1wkt n GLY 3 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wkt s TYR 4 N -1.68 -0.17 -0.06 1.61 -0.85 -0.46 -4.95 117.35 110.79 1wkt s TYR 4 Ca 0.00 -0.16 0.04 0.00 -0.52 0.00 0.00 57.07 56.43 1wkt s TYR 4 Cb 0.00 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 1wkt s TYR 4 CO 0.00 -0.93 -0.19 -1.17 -1.52 0.00 0.00 175.55 171.74 1wkt s LEU 5 N -2.90 2.43 -0.00 -3.49 2.96 -1.26 -2.37 118.68 114.04 1wkt s LEU 5 Ca 0.11 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1wkt s LEU 5 Cb -0.03 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1wkt s LEU 5 CO 0.02 0.28 0.13 0.27 -1.32 0.00 0.00 176.35 175.73 1wkt s ILE 6 N -0.33 0.07 -0.08 6.68 -4.36 -1.02 -4.83 121.20 117.34 1wkt s ILE 6 Ca 0.02 -0.61 -0.11 0.00 -0.26 0.00 0.00 60.65 59.68 1wkt s ILE 6 Cb -0.13 -0.40 -0.05 0.00 1.25 0.00 0.00 42.46 43.14 1wkt s ILE 6 CO 0.02 -0.34 0.27 0.00 0.24 0.00 0.00 174.94 175.13 1wkt s MET 7 N -1.20 3.77 0.24 0.37 0.23 -1.26 -1.04 119.30 120.41 1wkt s MET 7 Ca -0.13 0.11 0.05 0.00 -1.03 0.00 0.00 55.69 54.69 1wkt s MET 7 Cb -0.07 -3.24 -0.05 0.00 -1.53 0.00 0.00 34.83 29.93 1wkt s MET 7 CO 0.01 0.65 -0.03 0.00 -2.03 0.00 0.00 175.02 173.62 1wkt h LYS 9 N 2.44 0.15 0.00 0.00 6.56 -1.80 -2.97 116.57 120.95 1wkt h LYS 9 Ca -0.39 -0.15 -0.30 0.00 -1.06 0.00 0.00 60.65 58.75 1wkt h LYS 9 Cb 1.22 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.85 1wkt h LYS 9 CO 0.65 0.89 -0.26 0.27 -2.06 0.00 0.00 179.45 178.94 1wkt n ASN 10 N -3.67 -0.71 -0.26 0.86 6.94 -1.26 -4.42 115.26 112.74 1wkt n ASN 10 Ca -0.03 -2.56 0.05 0.00 -0.02 0.00 0.00 54.58 52.03 1wkt n ASN 10 Cb 0.77 1.50 0.24 0.00 -2.36 0.00 0.00 39.78 39.92 1wkt n ASN 10 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wkt s ASP 12 N -1.24 4.02 0.27 0.00 2.15 -1.26 -4.90 116.67 115.71 1wkt s ASP 12 Ca 0.18 -2.44 0.20 0.00 0.43 0.00 0.00 52.55 50.93 1wkt s ASP 12 Cb 0.09 -1.21 1.01 0.00 -0.30 0.00 0.00 42.92 42.52 1wkt s ASP 12 CO 0.14 -0.31 1.62 -0.81 -0.17 0.00 0.00 175.17 175.64 1wkt n PRO 13 N 3.82 0.14 -0.15 4.34 -0.04 -1.26 -0.15 135.00 141.69 1wkt n PRO 13 Ca 0.05 0.55 -0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1wkt n PRO 13 Cb 0.37 -1.89 -0.01 0.00 -0.04 0.00 0.00 33.50 31.93 1wkt n PRO 13 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1wkt h ASN 14 N 0.00 0.98 0.00 3.54 -0.73 -1.98 -3.36 115.58 114.03 1wkt h ASN 14 Ca 0.00 -0.40 0.00 0.00 1.87 0.00 0.00 56.30 57.77 1wkt h ASN 14 Cb 0.11 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.43 1wkt h ASN 14 CO 0.00 1.16 -0.00 0.35 -0.37 0.00 0.00 177.43 178.56 1wkt n THR 15 N -4.15 1.32 -4.33 -3.57 -2.24 -0.44 -4.92 114.28 95.95 1wkt n THR 15 Ca -0.00 -1.47 -0.34 0.00 -2.27 0.00 0.00 64.05 59.97 1wkt n THR 15 Cb 0.45 0.22 -0.12 0.00 -2.10 0.00 0.00 70.33 68.78 1wkt n THR 15 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wkt s GLY 16 N -1.71 1.73 -0.93 3.38 0.00 0.79 -4.98 107.32 105.60 1wkt s GLY 16 Ca 0.12 -0.83 -0.24 0.00 0.00 0.00 0.00 44.72 43.77 1wkt s GLY 16 CO 0.01 -0.02 1.41 -0.56 0.00 0.00 0.00 173.10 173.94 1wkt s SER 17 N 0.44 6.35 0.57 1.64 0.01 -1.26 -4.64 113.70 116.81 1wkt s SER 17 Ca -0.03 -1.11 -0.13 0.00 1.31 0.00 0.00 55.95 55.99 1wkt s SER 17 Cb -0.14 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 1wkt s SER 17 CO 0.03 -1.65 1.00 0.00 0.41 0.00 0.00 173.24 173.03 1wkt s ASP 19 N -3.72 6.19 -0.19 0.00 -4.77 -1.04 -4.94 116.67 108.20 1wkt s ASP 19 Ca 0.56 -1.30 -0.05 0.00 -3.30 0.00 0.00 52.55 48.46 1wkt s ASP 19 Cb -0.11 -2.27 -0.15 0.00 -1.09 0.00 0.00 42.92 39.31 1wkt s ASP 19 CO 0.44 -0.93 3.32 0.79 0.70 0.00 0.00 175.17 179.49 1wkt n TRP 20 N 5.95 0.60 -4.51 2.11 7.02 -1.26 -4.23 117.44 123.12 1wkt n TRP 20 Ca -0.10 -1.69 -0.30 0.00 -1.02 0.00 0.00 57.50 54.39 1wkt n TRP 20 Cb 0.43 -1.54 -0.07 0.00 -2.42 0.00 0.00 31.31 27.71 1wkt n TRP 20 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wkt s LYS 21 N 0.09 2.18 0.45 -0.99 -0.14 -1.26 -5.08 119.74 114.99 1wkt s LYS 21 Ca 0.64 -2.24 -0.25 0.00 -1.36 0.00 0.00 55.97 52.77 1wkt s LYS 21 Cb 0.34 -1.70 -0.08 0.00 -1.68 0.00 0.00 37.83 34.71 1wkt s LYS 21 CO -0.08 -0.35 1.33 -1.14 -0.76 0.00 0.00 175.35 174.36 1wkt s GLN 22 N -3.94 3.72 0.00 1.68 0.74 -1.26 -4.92 119.66 115.69 1wkt s GLN 22 Ca 0.18 2.21 0.00 0.00 0.05 0.00 0.00 55.36 57.80 1wkt s GLN 22 Cb 0.02 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.52 1wkt s GLN 22 CO 0.10 -0.71 0.00 0.09 -0.55 0.00 0.00 175.29 174.22 1wkt n ASN 23 N -0.22 2.24 -0.82 6.67 3.02 -1.26 -5.06 115.26 119.82 1wkt n ASN 23 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1wkt n ASN 23 Cb 0.44 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1wkt n ASN 23 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1wkt n TRP 24 N -1.14 -1.19 0.00 3.10 7.02 -1.26 -2.51 117.44 121.46 1wkt n TRP 24 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1wkt n TRP 24 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1wkt n TRP 24 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1wkt n ASN 25 N -1.18 0.00 -3.57 -0.99 5.15 -1.26 -4.81 115.26 108.60 1wkt n ASN 25 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 1wkt n ASN 25 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1wkt n ASN 25 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1wkt s THR 26 N 0.00 0.00 -0.29 -0.44 -1.32 -1.26 -5.14 115.64 107.20 1wkt s THR 26 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1wkt s THR 26 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 1wkt s THR 26 CO 0.00 0.00 1.03 0.00 -2.21 0.00 0.00 174.62 173.44 1wkt s VAL 28 N 2.37 2.00 0.22 0.00 1.01 -1.22 -5.00 120.40 119.78 1wkt s VAL 28 Ca 0.63 -1.68 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 1wkt s VAL 28 Cb -0.86 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 1wkt s VAL 28 CO 0.43 0.00 0.70 -0.83 0.00 0.00 0.00 175.10 175.41 1wkt s GLY 29 N -2.03 2.57 0.12 4.51 0.00 -1.26 -3.17 107.32 108.06 1wkt s GLY 29 Ca 0.11 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.99 1wkt s GLY 29 CO 0.05 0.45 -0.11 -0.42 0.00 0.00 0.00 173.10 173.08 1wkt s ILE 30 N -1.55 1.10 -2.37 0.90 1.09 0.42 -4.94 121.20 115.85 1wkt s ILE 30 Ca 0.43 -1.84 0.00 0.00 -1.10 0.00 0.00 60.65 58.14 1wkt s ILE 30 Cb -0.16 -1.60 0.00 0.00 -1.06 0.00 0.00 42.46 39.64 1wkt s ILE 30 CO 0.20 -0.62 0.00 0.61 -0.10 0.00 0.00 174.94 175.04 1wkt n GLY 31 N 0.22 -1.05 2.05 6.18 0.00 -1.26 -4.62 105.19 106.71 1wkt n GLY 31 Ca -0.13 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 1wkt n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkt n ALA 32 N 0.00 -2.83 -0.84 4.61 0.00 -1.26 -3.97 120.51 116.23 1wkt n ALA 32 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1wkt n ALA 32 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1wkt n ALA 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wkt n ASN 33 N -0.56 -2.14 -4.62 0.00 3.02 -1.26 -4.97 115.26 104.73 1wkt n ASN 33 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 1wkt n ASN 33 Cb 0.24 -1.82 -0.03 0.00 -0.61 0.00 0.00 39.78 37.55 1wkt n ASN 33 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wkt s VAL 34 N -1.87 4.57 -0.25 2.41 1.01 -1.25 -4.39 120.40 120.62 1wkt s VAL 34 Ca 0.00 1.44 0.19 0.00 0.00 0.00 0.00 61.98 63.62 1wkt s VAL 34 Cb 0.00 -4.35 0.45 0.00 0.00 0.00 0.00 36.38 32.48 1wkt s VAL 34 CO 0.00 -0.49 1.24 0.00 0.00 0.00 0.00 175.10 175.85 1wkt n HIS 35 N 6.78 0.13 -3.80 5.22 1.44 -1.21 -4.91 115.22 118.86 1wkt n HIS 35 Ca 0.09 -1.79 -0.13 0.00 -2.01 0.00 0.00 57.72 53.88 1wkt n HIS 35 Cb 0.48 0.33 -0.13 0.00 0.12 0.00 0.00 29.99 30.79 1wkt n HIS 35 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1wkt s TRP 36 N -2.15 -0.20 -0.11 -1.40 0.52 -1.12 -0.17 118.94 114.30 1wkt s TRP 36 Ca 0.21 0.48 0.02 0.00 0.02 0.00 0.00 56.10 56.83 1wkt s TRP 36 Cb 0.35 0.05 -0.01 0.00 -1.15 0.00 0.00 33.47 32.71 1wkt s TRP 36 CO -0.08 -0.11 -0.18 1.41 0.02 0.00 0.00 176.95 178.02 1wkt s MET 37 N 0.24 3.22 -0.12 4.98 1.75 -0.09 -0.38 119.30 128.90 1wkt s MET 37 Ca -0.01 -0.78 -0.00 0.00 -1.25 0.00 0.00 55.69 53.65 1wkt s MET 37 Cb -0.03 -2.47 0.02 0.00 2.84 0.00 0.00 34.83 35.19 1wkt s MET 37 CO -0.01 0.20 -0.09 0.08 -0.65 0.00 0.00 175.02 174.56 1wkt s VAL 38 N 0.33 1.11 0.07 10.11 1.01 -0.20 -0.55 120.40 132.27 1wkt s VAL 38 Ca -0.14 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1wkt s VAL 38 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1wkt s VAL 38 CO 0.07 0.38 -0.04 0.42 0.00 0.00 0.00 175.10 175.94 1wkt s THR 39 N 1.67 3.79 -4.90 3.92 -4.23 -0.77 -2.43 115.64 112.70 1wkt s THR 39 Ca 0.05 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1wkt s THR 39 Cb -0.13 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1wkt s THR 39 CO -0.09 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1wkt n GLY 40 N 0.81 0.49 1.05 3.99 0.00 -1.00 -0.70 105.19 109.83 1wkt n GLY 40 Ca -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1wkt n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkt n GLY 41 N 0.00 0.94 0.00 -0.02 0.00 -1.25 -1.35 105.19 103.51 1wkt n GLY 41 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1wkt n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wkt n SER 42 N 0.97 0.00 0.00 1.61 3.41 -1.26 -3.80 113.62 114.54 1wkt n SER 42 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wkt n SER 42 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1wkt n SER 42 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wkt n THR 43 N -0.73 0.00 -3.68 6.66 -2.24 -1.26 -4.90 114.28 108.13 1wkt n THR 43 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1wkt n THR 43 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1wkt n THR 43 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wkt n ASP 44 N -1.67 -1.29 0.00 3.42 -0.08 -1.26 -4.76 116.55 110.91 1wkt n ASP 44 Ca 0.00 -2.16 0.00 0.00 -1.51 0.00 0.00 54.79 51.12 1wkt n ASP 44 Cb 0.00 2.23 0.00 0.00 2.34 0.00 0.00 41.12 45.69 1wkt n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wkt n GLY 45 N -0.37 0.53 2.62 0.27 0.00 -1.26 -4.93 105.19 102.05 1wkt n GLY 45 Ca -0.03 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1wkt n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wkt n LYS 46 N -2.13 1.77 -1.11 1.61 5.02 -1.26 -5.04 118.16 117.04 1wkt n LYS 46 Ca 0.00 -3.57 -0.35 0.00 -2.02 0.00 0.00 58.31 52.37 1wkt n LYS 46 Cb 0.17 -1.53 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 1wkt n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wkt n GLN 47 N -0.25 0.10 -3.50 1.97 10.64 -1.26 -4.29 117.38 120.78 1wkt n GLN 47 Ca 0.16 0.07 -0.10 0.00 -1.83 0.00 0.00 57.00 55.31 1wkt n GLN 47 Cb 0.79 -1.74 0.01 0.00 -0.86 0.00 0.00 30.24 28.44 1wkt n GLN 47 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1wkt n GLY 48 N 1.79 1.51 3.00 2.61 0.00 -1.22 -4.95 105.19 107.93 1wkt n GLY 48 Ca 0.08 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1wkt n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkt s ALA 50 N -1.14 2.86 -0.49 0.00 0.00 0.34 -1.23 121.76 122.10 1wkt s ALA 50 Ca -0.10 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 1wkt s ALA 50 Cb -0.08 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.82 1wkt s ALA 50 CO -0.00 0.43 1.00 0.99 0.00 0.00 0.00 175.76 178.18 1wkt s THR 51 N -0.31 4.35 0.04 0.00 2.01 0.00 -0.69 115.64 121.05 1wkt s THR 51 Ca 0.04 0.82 -0.10 0.00 0.31 0.00 0.00 61.69 62.76 1wkt s THR 51 Cb -0.13 -4.52 -0.05 0.00 0.01 0.00 0.00 72.50 67.81 1wkt s THR 51 CO 0.02 -0.96 0.36 -0.63 -0.69 0.00 0.00 174.62 172.72 1wkt s ILE 52 N 4.06 5.15 0.17 1.82 1.01 0.15 -0.70 121.20 132.86 1wkt s ILE 52 Ca 0.40 0.45 0.08 0.00 0.00 0.00 0.00 60.65 61.57 1wkt s ILE 52 Cb -0.09 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1wkt s ILE 52 CO 0.27 0.38 -0.17 0.26 0.00 0.00 0.00 174.94 175.68 1wkt s TRP 53 N -1.30 1.73 -0.04 3.97 0.51 0.31 -1.09 118.94 123.03 1wkt s TRP 53 Ca 0.29 -0.51 -0.24 0.00 -2.12 0.00 0.00 56.10 53.52 1wkt s TRP 53 Cb -0.14 -0.85 -0.23 0.00 -0.81 0.00 0.00 33.47 31.44 1wkt s TRP 53 CO 0.16 0.31 1.06 1.49 -0.51 0.00 0.00 176.95 179.46 1wkt h GLU 54 N 3.12 0.17 -7.27 4.98 4.57 -1.16 -1.94 114.58 117.04 1wkt h GLU 54 Ca -0.41 -0.17 -0.52 0.00 -1.18 0.00 0.00 59.36 57.08 1wkt h GLU 54 Cb 1.21 0.04 0.19 0.00 -0.16 0.00 0.00 28.75 30.03 1wkt h GLU 54 CO 0.54 0.88 0.25 0.20 -1.18 0.00 0.00 179.01 179.69 1wkt s GLY 55 N -3.83 1.75 -0.75 1.92 0.00 0.70 -3.79 107.32 103.33 1wkt s GLY 55 Ca -0.16 0.59 -0.07 0.00 0.00 0.00 0.00 44.72 45.08 1wkt s GLY 55 CO 0.74 1.00 3.19 1.44 0.00 0.00 0.00 173.10 179.47 1wkt n SER 56 N -4.03 6.88 0.00 1.64 7.64 -1.26 -3.44 113.62 121.05 1wkt n SER 56 Ca 0.12 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.35 1wkt n SER 56 Cb 0.52 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1wkt n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wkt n GLY 57 N 2.64 0.52 3.82 0.23 0.00 -1.26 -4.87 105.19 106.27 1wkt n GLY 57 Ca 0.58 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1wkt n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkt s VAL 59 N -3.18 0.96 0.00 0.00 -7.23 -1.26 -5.01 120.40 104.68 1wkt s VAL 59 Ca 0.61 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1wkt s VAL 59 Cb -0.32 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1wkt s VAL 59 CO 0.75 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.15 1wkt n GLY 60 N -0.98 -1.18 3.76 2.32 0.00 -1.26 -0.21 105.19 107.64 1wkt n GLY 60 Ca -0.09 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1wkt n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wkt s ARG 61 N 0.00 2.85 0.26 1.61 3.52 -1.26 -4.81 118.95 121.11 1wkt s ARG 61 Ca 0.00 1.54 0.04 0.00 -0.13 0.00 0.00 55.73 57.18 1wkt s ARG 61 Cb 0.00 -1.94 -0.05 0.00 -1.56 0.00 0.00 34.95 31.39 1wkt s ARG 61 CO 0.00 -1.24 0.00 -1.54 -0.81 0.00 0.00 175.30 171.71 1wkt s SER 62 N -2.22 2.05 0.10 -2.12 1.04 -1.26 -0.97 113.70 110.32 1wkt s SER 62 Ca 0.70 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.92 1wkt s SER 62 Cb -0.23 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 1wkt s SER 62 CO 0.38 -0.51 -0.09 0.28 0.98 0.00 0.00 173.24 174.27 1wkt s THR 63 N -3.35 0.91 -1.04 2.02 -1.32 -0.25 -4.99 115.64 107.63 1wkt s THR 63 Ca 0.31 -1.74 -0.07 0.00 -1.21 0.00 0.00 61.69 58.97 1wkt s THR 63 Cb 0.06 -1.47 0.26 0.00 -1.51 0.00 0.00 72.50 69.84 1wkt s THR 63 CO 0.11 -0.64 1.00 0.42 -2.21 0.00 0.00 174.62 173.30 1wkt s THR 64 N -2.77 5.48 0.06 5.08 -4.23 -1.26 -0.67 115.64 117.33 1wkt s THR 64 Ca 0.08 -3.56 -0.25 0.00 -1.18 0.00 0.00 61.69 56.78 1wkt s THR 64 Cb -0.01 -4.32 -0.06 0.00 1.34 0.00 0.00 72.50 69.46 1wkt s THR 64 CO -0.01 -1.15 0.78 -0.32 -0.54 0.00 0.00 174.62 173.38 1wkt s MET 65 N -1.28 4.52 -0.04 3.99 1.75 0.14 -4.88 119.30 123.49 1wkt s MET 65 Ca 0.30 1.11 0.03 0.00 -1.25 0.00 0.00 55.69 55.87 1wkt s MET 65 Cb -0.09 -3.35 0.00 0.00 2.84 0.00 0.00 34.83 34.23 1wkt s MET 65 CO -0.09 0.31 -0.14 0.00 -0.65 0.00 0.00 175.02 174.44 1wkt s PRO 68 N 1.95 0.19 -0.59 0.00 0.02 -1.26 -3.44 135.00 131.87 1wkt s PRO 68 Ca 0.02 1.07 -0.07 0.00 0.02 0.00 0.00 61.00 62.04 1wkt s PRO 68 Cb -0.15 -1.67 -0.20 0.00 0.02 0.00 0.00 34.50 32.50 1wkt s PRO 68 CO -0.07 -3.04 3.35 0.00 -0.33 0.00 0.00 177.00 176.91 1wkt n ALA 69 N -4.47 6.75 0.00 -1.55 0.00 -1.26 -0.91 120.51 119.07 1wkt n ALA 69 Ca 0.07 -2.42 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1wkt n ALA 69 Cb 0.54 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1wkt n ALA 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wkt n ASN 70 N 2.91 0.00 -4.69 0.00 0.23 0.12 -3.86 115.26 109.97 1wkt n ASN 70 Ca 0.55 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 54.25 1wkt n ASN 70 Cb 0.66 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.27 1wkt n ASN 70 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1wkt s THR 71 N 0.00 4.62 -0.16 5.53 2.01 -0.09 -4.96 115.64 122.59 1wkt s THR 71 Ca 0.00 -0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 1wkt s THR 71 Cb 0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1wkt s THR 71 CO 0.00 0.56 0.49 0.00 -0.69 0.00 0.00 174.62 174.98 1wkt s ASN 74 N -0.24 6.43 -1.41 0.00 3.04 -1.26 -0.91 114.94 120.58 1wkt s ASN 74 Ca 0.00 0.11 -0.10 0.00 0.04 0.00 0.00 52.86 52.91 1wkt s ASN 74 Cb -0.12 -2.34 0.07 0.00 -1.54 0.00 0.00 41.25 37.32 1wkt s ASN 74 CO 0.02 -0.65 2.30 -0.38 -3.04 0.00 0.00 177.10 175.34 1wkt n ILE 75 N 5.67 4.24 -3.42 -5.21 -0.00 0.75 -4.51 119.36 116.88 1wkt n ILE 75 Ca -0.00 -3.60 -0.26 0.00 -0.00 0.00 0.00 62.75 58.88 1wkt n ILE 75 Cb 0.48 -2.43 -0.09 0.00 -0.00 0.00 0.00 39.64 37.60 1wkt n ILE 75 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1wkt n ASN 76 N 4.08 1.55 -3.97 4.38 4.13 -1.26 -4.51 115.26 119.67 1wkt n ASN 76 Ca 0.55 -2.93 -0.30 0.00 1.68 0.00 0.00 54.58 53.58 1wkt n ASN 76 Cb 0.32 -0.65 0.22 0.00 -1.54 0.00 0.00 39.78 38.13 1wkt n ASN 76 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1wkt s THR 77 N -1.35 1.75 0.32 3.41 -4.23 -1.26 -4.95 115.64 109.34 1wkt s THR 77 Ca 0.34 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.96 1wkt s THR 77 Cb 0.10 -2.67 0.04 0.00 1.34 0.00 0.00 72.50 71.31 1wkt s THR 77 CO -0.11 0.00 1.73 1.23 -0.54 0.00 0.00 174.62 176.93 1wkt h GLY 78 N -2.22 0.07 -1.73 3.99 0.00 -2.00 -3.41 103.07 97.77 1wkt h GLY 78 Ca -0.45 -0.07 -0.48 0.00 0.00 0.00 0.00 47.33 46.33 1wkt h GLY 78 CO 0.37 0.06 0.36 -0.11 0.00 0.00 0.00 176.54 177.22 1wkt s PHE 79 N -4.01 3.49 0.67 5.60 -0.71 -1.26 -5.07 117.98 116.69 1wkt s PHE 79 Ca -0.03 1.38 -0.12 0.00 -1.04 0.00 0.00 56.93 57.12 1wkt s PHE 79 Cb 0.14 -2.74 -0.00 0.00 -1.21 0.00 0.00 43.02 39.21 1wkt s PHE 79 CO 0.75 -0.41 1.06 -0.47 -1.34 0.00 0.00 175.22 174.81 1wkt s TYR 80 N -2.72 3.03 -0.15 3.49 5.04 -1.26 -4.95 117.35 119.82 1wkt s TYR 80 Ca 0.57 1.46 0.01 0.00 -2.44 0.00 0.00 57.07 56.67 1wkt s TYR 80 Cb -0.10 -2.93 0.01 0.00 0.35 0.00 0.00 41.96 39.28 1wkt s TYR 80 CO 0.36 -1.25 -0.19 0.96 -1.34 0.00 0.00 175.55 174.09 1wkt s ILE 81 N -2.86 2.28 0.00 3.14 -0.00 -1.26 -4.04 121.20 118.46 1wkt s ILE 81 Ca 0.60 -0.89 0.00 0.00 -0.00 0.00 0.00 60.65 60.35 1wkt s ILE 81 Cb -0.15 -1.94 0.00 0.00 -0.00 0.00 0.00 42.46 40.37 1wkt s ILE 81 CO 0.50 0.53 0.00 -1.14 -0.00 0.00 0.00 174.94 174.83 1wkt n ARG 82 N 4.20 2.34 -3.95 0.37 0.63 -0.76 -4.78 116.66 114.70 1wkt n ARG 82 Ca -0.20 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.64 1wkt n ARG 82 Cb 0.51 -0.23 -0.04 0.00 0.45 0.00 0.00 32.46 33.15 1wkt n ARG 82 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1wkt s SER 83 N -0.20 -0.07 0.20 6.15 1.04 -1.01 -0.44 113.70 119.36 1wkt s SER 83 Ca 0.00 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.31 1wkt s SER 83 Cb 0.00 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.82 1wkt s SER 83 CO 0.00 -1.25 0.89 -0.72 0.98 0.00 0.00 173.24 173.14 1wkt s TYR 84 N -3.81 -0.14 -0.11 5.02 -0.85 -1.19 -0.53 117.35 115.74 1wkt s TYR 84 Ca 0.19 -0.22 -0.18 0.00 -0.52 0.00 0.00 57.07 56.34 1wkt s TYR 84 Cb -0.03 0.67 0.04 0.00 0.38 0.00 0.00 41.96 43.02 1wkt s TYR 84 CO 0.09 -0.97 0.46 0.50 -1.52 0.00 0.00 175.55 174.11 1wkt s ARG 85 N -3.45 0.67 0.21 -3.49 6.06 0.12 -3.44 118.95 115.63 1wkt s ARG 85 Ca 0.12 0.34 -0.30 0.00 -2.50 0.00 0.00 55.73 53.39 1wkt s ARG 85 Cb -0.03 0.32 -0.09 0.00 0.06 0.00 0.00 34.95 35.21 1wkt s ARG 85 CO 0.04 -0.14 1.37 0.50 -2.50 0.00 0.00 175.30 174.56 1wkt s ARG 86 N -0.46 4.34 -0.08 5.12 3.52 -1.04 -0.82 118.95 129.53 1wkt s ARG 86 Ca -0.06 2.15 0.06 0.00 -0.13 0.00 0.00 55.73 57.75 1wkt s ARG 86 Cb -0.03 -3.17 -0.09 0.00 -1.56 0.00 0.00 34.95 30.10 1wkt s ARG 86 CO 0.03 -0.34 0.02 1.33 -0.81 0.00 0.00 175.30 175.53 1wkt n VAL 87 N 2.68 0.53 -1.34 7.11 0.24 -0.36 -4.74 118.33 122.45 1wkt n VAL 87 Ca 0.07 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1wkt n VAL 87 Cb 0.42 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 1wkt n VAL 87 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85