#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 -3.14 1.61 9.92 -1.26 -4.83 116.55 118.85 1wkt n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1wkt n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1wkt n ASP 2 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wkt n GLY 3 N 0.00 -3.56 2.99 0.44 0.00 -1.26 -4.87 105.19 98.94 1wkt n GLY 3 Ca 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.80 1wkt n GLY 3 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1wkt n TYR 4 N -2.57 -0.35 -3.78 1.61 0.18 -1.26 -4.91 117.16 106.08 1wkt n TYR 4 Ca 0.00 -0.55 -0.14 0.00 1.88 0.00 0.00 57.90 59.09 1wkt n TYR 4 Cb 0.00 0.25 -0.16 0.00 -0.38 0.00 0.00 39.34 39.05 1wkt n TYR 4 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1wkt s LEU 5 N 0.00 1.17 -0.04 -3.48 0.20 -1.26 -0.53 118.68 114.74 1wkt s LEU 5 Ca 0.22 0.06 -0.11 0.00 0.69 0.00 0.00 54.13 54.99 1wkt s LEU 5 Cb -0.01 -0.02 0.02 0.00 -0.43 0.00 0.00 46.19 45.75 1wkt s LEU 5 CO -0.00 -0.11 0.25 0.27 -0.29 0.00 0.00 176.35 176.47 1wkt s ILE 6 N 0.93 0.04 0.00 6.68 -4.36 -1.26 -4.86 121.20 118.38 1wkt s ILE 6 Ca -0.08 -0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 59.84 1wkt s ILE 6 Cb -0.11 -0.49 -0.05 0.00 1.25 0.00 0.00 42.46 43.06 1wkt s ILE 6 CO -0.03 -0.20 0.35 0.00 0.24 0.00 0.00 174.94 175.30 1wkt s MET 7 N -0.83 3.76 0.07 0.37 0.23 -1.26 -2.00 119.30 119.64 1wkt s MET 7 Ca -0.09 0.21 0.03 0.00 -1.03 0.00 0.00 55.69 54.81 1wkt s MET 7 Cb -0.05 -3.14 -0.03 0.00 -1.53 0.00 0.00 34.83 30.08 1wkt s MET 7 CO 0.02 0.67 -0.09 0.00 -2.03 0.00 0.00 175.02 173.59 1wkt h LYS 9 N 4.07 0.00 0.00 0.00 1.57 -1.42 -3.16 116.57 117.63 1wkt h LYS 9 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1wkt h LYS 9 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1wkt h LYS 9 CO 0.46 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.61 1wkt n ASN 10 N -2.56 0.00 -0.58 0.86 6.94 -1.26 -4.56 115.26 114.09 1wkt n ASN 10 Ca 0.05 -0.79 0.11 0.00 -0.02 0.00 0.00 54.58 53.92 1wkt n ASN 10 Cb 0.44 0.00 0.38 0.00 -2.36 0.00 0.00 39.78 38.23 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 -1.60 5.74 0.58 0.00 -1.08 -1.26 -4.92 116.67 114.13 1wkt s ASP 12 Ca 0.33 -1.30 0.32 0.00 -0.52 0.00 0.00 52.55 51.38 1wkt s ASP 12 Cb 0.18 -2.03 1.77 0.00 -1.46 0.00 0.00 42.92 41.39 1wkt s ASP 12 CO 0.27 -0.50 2.20 1.55 0.52 0.00 0.00 175.17 179.21 1wkt h PRO 13 N 8.46 0.00 0.27 4.34 0.13 -1.96 0.65 132.00 143.90 1wkt h PRO 13 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1wkt h PRO 13 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1wkt h PRO 13 CO 0.74 0.05 -0.13 -0.97 -0.23 0.00 0.00 178.00 177.46 1wkt h ASN 14 N 0.00 -0.31 -0.35 1.44 -0.73 -1.99 -3.39 115.58 110.26 1wkt h ASN 14 Ca -0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1wkt h ASN 14 Cb 0.15 0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1wkt h ASN 14 CO 0.01 -0.05 0.00 0.35 -0.37 0.00 0.00 177.43 177.36 1wkt n THR 15 N -3.93 1.43 0.11 -3.57 -2.24 -1.23 -4.53 114.28 100.32 1wkt n THR 15 Ca -0.05 -1.27 -0.04 0.00 -2.27 0.00 0.00 64.05 60.42 1wkt n THR 15 Cb 0.14 0.26 0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1wkt n THR 15 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wkt h GLY 16 N 2.13 0.04 -3.31 3.38 0.00 -1.05 -3.49 103.07 100.77 1wkt h GLY 16 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1wkt h GLY 16 CO 0.08 0.06 -0.49 1.44 0.00 0.00 0.00 176.54 177.63 1wkt n SER 17 N -3.66 -5.79 -4.31 0.19 7.64 -1.26 -3.88 113.62 102.55 1wkt n SER 17 Ca -0.01 0.92 -0.27 0.00 1.01 0.00 0.00 58.87 60.51 1wkt n SER 17 Cb 0.73 -3.11 -0.14 0.00 -1.01 0.00 0.00 64.21 60.68 1wkt n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wkt s ASP 19 N -1.41 6.20 -0.15 0.00 1.47 -0.71 -4.94 116.67 117.13 1wkt s ASP 19 Ca 0.10 -0.85 -0.04 0.00 1.18 0.00 0.00 52.55 52.94 1wkt s ASP 19 Cb -0.10 -2.24 -0.11 0.00 -0.34 0.00 0.00 42.92 40.13 1wkt s ASP 19 CO 0.03 -0.69 3.11 0.79 0.68 0.00 0.00 175.17 179.08 1wkt n TRP 20 N 5.73 0.56 -3.40 2.11 7.02 -1.26 -4.14 117.44 124.06 1wkt n TRP 20 Ca -0.08 -1.61 -0.29 0.00 -1.02 0.00 0.00 57.50 54.51 1wkt n TRP 20 Cb 0.46 -1.38 -0.03 0.00 -2.42 0.00 0.00 31.31 27.93 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 -0.07 3.63 0.40 -0.99 3.01 -1.26 -5.06 119.74 119.40 1wkt s LYS 21 Ca 0.55 -0.01 -0.26 0.00 -1.01 0.00 0.00 55.97 55.24 1wkt s LYS 21 Cb 0.30 -2.68 -0.09 0.00 -1.01 0.00 0.00 37.83 34.36 1wkt s LYS 21 CO -0.07 0.26 1.27 -1.14 0.51 0.00 0.00 175.35 176.19 1wkt s GLN 22 N -3.40 3.99 0.00 1.68 -0.44 -1.26 -4.92 119.66 115.31 1wkt s GLN 22 Ca 0.43 2.08 0.00 0.00 -2.50 0.00 0.00 55.36 55.38 1wkt s GLN 22 Cb -0.11 -2.74 0.00 0.00 -1.64 0.00 0.00 33.01 28.52 1wkt s GLN 22 CO 0.29 -0.45 0.80 0.27 0.50 0.00 0.00 175.29 176.70 1wkt n ASN 23 N 0.12 0.00 -4.72 6.67 0.23 -1.26 -5.07 115.26 111.23 1wkt n ASN 23 Ca 0.04 -1.62 -0.37 0.00 -0.53 0.00 0.00 54.58 52.10 1wkt n ASN 23 Cb 0.44 -0.12 -0.07 0.00 -2.08 0.00 0.00 39.78 37.95 1wkt n ASN 23 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1wkt s TRP 24 N 0.00 3.46 -1.45 -2.53 -0.11 -1.26 -2.06 118.94 114.99 1wkt s TRP 24 Ca 0.00 0.65 -0.08 0.00 1.22 0.00 0.00 56.10 57.89 1wkt s TRP 24 Cb 0.00 -2.41 0.05 0.00 -1.50 0.00 0.00 33.47 29.62 1wkt s TRP 24 CO 0.00 0.19 0.86 -1.71 -4.62 0.00 0.00 176.95 171.67 1wkt n ASN 25 N 3.71 -3.36 -3.59 5.86 5.15 -0.81 -4.91 115.26 117.30 1wkt n ASN 25 Ca -0.10 -0.80 -0.10 0.00 -0.60 0.00 0.00 54.58 52.97 1wkt n ASN 25 Cb 0.52 -3.91 -0.02 0.00 -0.53 0.00 0.00 39.78 35.84 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 -3.46 0.00 -0.73 -0.44 -1.32 -1.26 -5.05 115.64 103.39 1wkt s THR 26 Ca 0.41 -0.38 -0.19 0.00 -1.21 0.00 0.00 61.69 60.32 1wkt s THR 26 Cb -0.20 -1.37 0.12 0.00 -1.51 0.00 0.00 72.50 69.53 1wkt s THR 26 CO 0.83 -0.00 0.87 0.00 -2.21 0.00 0.00 174.62 174.11 1wkt s VAL 28 N 2.61 3.43 0.13 0.00 1.01 -0.07 -4.89 120.40 122.62 1wkt s VAL 28 Ca 0.20 -1.70 -0.31 0.00 0.00 0.00 0.00 61.98 60.17 1wkt s VAL 28 Cb -0.16 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 1wkt s VAL 28 CO 0.01 -0.47 1.65 -0.83 0.00 0.00 0.00 175.10 175.45 1wkt s GLY 29 N 1.71 1.49 0.48 4.51 0.00 -1.00 -0.45 107.32 114.07 1wkt s GLY 29 Ca 0.03 1.35 -0.11 0.00 0.00 0.00 0.00 44.72 46.00 1wkt s GLY 29 CO -0.02 2.81 0.86 -0.42 0.00 0.00 0.00 173.10 176.34 1wkt s ILE 30 N 1.85 4.75 0.00 0.90 1.01 0.97 -4.91 121.20 125.77 1wkt s ILE 30 Ca 0.73 0.69 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1wkt s ILE 30 Cb -0.43 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1wkt s ILE 30 CO 0.32 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 175.13 1wkt n GLY 31 N -1.84 2.03 3.08 6.18 0.00 -1.26 -4.66 105.19 108.72 1wkt n GLY 31 Ca 0.03 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.00 -2.08 -1.54 4.61 0.00 -1.26 -1.66 120.51 115.59 1wkt n ALA 32 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 1wkt n ALA 32 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1wkt n ALA 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wkt n ASN 33 N -0.74 -2.25 -4.65 0.00 6.94 -1.26 -4.90 115.26 108.41 1wkt n ASN 33 Ca -0.15 0.22 -0.43 0.00 -0.02 0.00 0.00 54.58 54.21 1wkt n ASN 33 Cb 0.49 -2.21 -0.02 0.00 -2.36 0.00 0.00 39.78 35.67 1wkt n ASN 33 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wkt s VAL 34 N -1.84 4.09 -0.21 3.53 1.01 -0.66 -4.81 120.40 121.51 1wkt s VAL 34 Ca 0.00 1.29 0.21 0.00 0.00 0.00 0.00 61.98 63.48 1wkt s VAL 34 Cb 0.00 -3.94 0.45 0.00 0.00 0.00 0.00 36.38 32.89 1wkt s VAL 34 CO 0.00 -0.24 1.19 0.00 0.00 0.00 0.00 175.10 176.05 1wkt n HIS 35 N 7.17 0.41 -3.79 5.22 1.44 -1.26 -4.79 115.22 119.62 1wkt n HIS 35 Ca 0.15 -1.65 -0.13 0.00 -2.01 0.00 0.00 57.72 54.07 1wkt n HIS 35 Cb 0.45 0.11 -0.14 0.00 0.12 0.00 0.00 29.99 30.53 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 -2.21 -0.12 -0.15 -1.40 0.52 -1.19 -0.48 118.94 113.90 1wkt s TRP 36 Ca 0.24 0.36 -0.01 0.00 0.02 0.00 0.00 56.10 56.71 1wkt s TRP 36 Cb 0.34 -0.05 -0.01 0.00 -1.15 0.00 0.00 33.47 32.60 1wkt s TRP 36 CO -0.08 -0.11 -0.11 1.41 0.02 0.00 0.00 176.95 178.08 1wkt s MET 37 N 0.69 3.39 -0.47 4.98 1.75 -0.49 -0.65 119.30 128.50 1wkt s MET 37 Ca -0.05 -0.66 0.03 0.00 -1.25 0.00 0.00 55.69 53.75 1wkt s MET 37 Cb -0.07 -2.73 0.13 0.00 2.84 0.00 0.00 34.83 34.99 1wkt s MET 37 CO -0.03 0.11 0.23 0.08 -0.65 0.00 0.00 175.02 174.76 1wkt s VAL 38 N 0.64 2.11 0.18 10.11 1.01 -0.85 -0.35 120.40 133.25 1wkt s VAL 38 Ca -0.06 -2.93 0.06 0.00 0.00 0.00 0.00 61.98 59.06 1wkt s VAL 38 Cb -0.15 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1wkt s VAL 38 CO 0.03 -0.81 0.07 0.28 0.00 0.00 0.00 175.10 174.67 1wkt s THR 39 N 0.08 4.10 0.00 3.92 -1.32 -0.93 -4.35 115.64 117.14 1wkt s THR 39 Ca 0.16 -1.30 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 1wkt s THR 39 Cb -0.25 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 1wkt s THR 39 CO -0.01 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1wkt n GLY 40 N -0.34 0.82 0.00 6.08 0.00 0.31 -0.97 105.19 111.08 1wkt n GLY 40 Ca -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.69 2.76 -0.02 0.00 -1.26 -4.13 105.19 101.85 1wkt n GLY 41 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1wkt n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wkt s SER 42 N 0.00 1.30 0.00 1.61 0.15 -1.26 -4.90 113.70 110.60 1wkt s SER 42 Ca 0.00 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.27 1wkt s SER 42 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1wkt s SER 42 CO 0.00 -0.29 0.00 0.41 1.20 0.00 0.00 173.24 174.56 1wkt n THR 43 N 4.51 0.00 -2.59 6.45 -1.04 -1.26 -4.32 114.28 116.03 1wkt n THR 43 Ca 0.08 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.67 1wkt n THR 43 Cb 0.45 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.95 1wkt n THR 43 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1wkt s ASP 44 N -1.53 6.65 0.00 8.00 1.47 -1.26 -4.64 116.67 125.37 1wkt s ASP 44 Ca 0.00 -1.90 0.30 0.00 1.18 0.00 0.00 52.55 52.13 1wkt s ASP 44 Cb 0.00 -2.56 1.80 0.00 -0.34 0.00 0.00 42.92 41.81 1wkt s ASP 44 CO 0.00 -1.34 2.14 0.61 0.68 0.00 0.00 175.17 177.26 1wkt n GLY 45 N 6.19 -0.98 3.56 2.12 0.00 -1.26 -3.93 105.19 110.88 1wkt n GLY 45 Ca 0.39 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1wkt n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkt s LYS 46 N -2.05 3.43 1.17 1.61 1.02 -1.26 -4.81 119.74 118.85 1wkt s LYS 46 Ca 0.44 0.02 -0.15 0.00 0.02 0.00 0.00 55.97 56.31 1wkt s LYS 46 Cb 0.21 -4.04 0.24 0.00 -0.52 0.00 0.00 37.83 33.72 1wkt s LYS 46 CO 0.36 -1.64 0.67 0.00 -0.92 0.00 0.00 175.35 173.82 1wkt n GLN 47 N 8.13 -2.30 -4.27 1.68 10.64 -1.26 -4.34 117.38 125.66 1wkt n GLN 47 Ca 0.06 -0.65 -0.16 0.00 -1.83 0.00 0.00 57.00 54.42 1wkt n GLN 47 Cb 0.48 -2.00 -0.10 0.00 -0.86 0.00 0.00 30.24 27.76 1wkt n GLN 47 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1wkt s GLY 48 N -2.20 1.15 0.04 2.61 0.00 -0.66 -4.80 107.32 103.46 1wkt s GLY 48 Ca 0.64 -1.48 -0.05 0.00 0.00 0.00 0.00 44.72 43.83 1wkt s GLY 48 CO 0.66 -1.57 0.09 0.00 0.00 0.00 0.00 173.10 172.28 1wkt s ALA 50 N -2.82 0.06 0.25 0.00 0.00 -0.16 -0.80 121.76 118.29 1wkt s ALA 50 Ca -0.03 -0.44 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 1wkt s ALA 50 Cb 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.15 1wkt s ALA 50 CO -0.06 -0.14 0.79 0.99 0.00 0.00 0.00 175.76 177.35 1wkt s THR 51 N -1.18 4.46 0.11 0.00 2.01 0.22 -0.67 115.64 120.60 1wkt s THR 51 Ca -0.13 1.44 0.07 0.00 0.31 0.00 0.00 61.69 63.38 1wkt s THR 51 Cb -0.08 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1wkt s THR 51 CO -0.01 0.18 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.30 1wkt s ILE 52 N -1.56 1.52 0.06 1.82 -1.09 0.03 -0.61 121.20 121.37 1wkt s ILE 52 Ca 0.45 -1.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.30 1wkt s ILE 52 Cb -0.17 -1.51 -0.03 0.00 -1.58 0.00 0.00 42.46 39.17 1wkt s ILE 52 CO 0.22 -0.23 -0.11 0.26 -1.23 0.00 0.00 174.94 173.85 1wkt s TRP 53 N -1.59 0.92 0.01 3.97 0.51 0.18 -0.88 118.94 122.06 1wkt s TRP 53 Ca 0.07 -0.48 -0.25 0.00 -2.12 0.00 0.00 56.10 53.32 1wkt s TRP 53 Cb -0.08 -0.53 -0.17 0.00 -0.81 0.00 0.00 33.47 31.89 1wkt s TRP 53 CO 0.04 -0.02 1.25 1.49 -0.51 0.00 0.00 176.95 179.20 1wkt h GLU 54 N 4.41 -0.39 -6.35 4.98 4.22 -0.95 0.88 114.58 121.38 1wkt h GLU 54 Ca -0.38 0.03 -0.55 0.00 0.08 0.00 0.00 59.36 58.54 1wkt h GLU 54 Cb 1.20 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1wkt h GLU 54 CO 0.40 -0.07 0.83 0.20 -2.18 0.00 0.00 179.01 178.20 1wkt s GLY 55 N -2.71 1.86 -0.64 1.92 0.00 0.12 -3.80 107.32 104.07 1wkt s GLY 55 Ca -0.14 0.83 -0.19 0.00 0.00 0.00 0.00 44.72 45.22 1wkt s GLY 55 CO 0.55 2.50 1.86 -1.14 0.00 0.00 0.00 173.10 176.87 1wkt n SER 56 N 5.50 2.61 0.00 1.64 3.41 -1.26 -2.05 113.62 123.47 1wkt n SER 56 Ca 0.13 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 1wkt n SER 56 Cb 0.44 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1wkt n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wkt n GLY 57 N 4.42 -1.18 0.00 5.00 0.00 -1.26 -4.90 105.19 107.27 1wkt n GLY 57 Ca 0.45 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 0.94 0.00 0.00 -7.23 -0.87 -4.98 120.40 108.25 1wkt s VAL 59 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1wkt s VAL 59 Cb 0.00 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1wkt s VAL 59 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1wkt n GLY 60 N -1.00 -0.54 3.73 2.32 0.00 -1.26 0.13 105.19 108.57 1wkt n GLY 60 Ca -0.10 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 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 4.52 0.22 1.61 3.00 -1.26 -4.73 118.95 122.31 1wkt s ARG 61 Ca 0.00 1.13 0.09 0.00 -1.00 0.00 0.00 55.73 55.96 1wkt s ARG 61 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 34.95 31.50 1wkt s ARG 61 CO 0.00 0.15 -0.05 -1.54 0.00 0.00 0.00 175.30 173.86 1wkt s SER 62 N 0.41 4.41 0.32 -2.12 1.04 -1.26 -0.54 113.70 115.96 1wkt s SER 62 Ca 0.42 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 56.28 1wkt s SER 62 Cb -0.20 -0.79 -0.01 0.00 0.10 0.00 0.00 66.02 65.11 1wkt s SER 62 CO 0.24 0.05 0.13 0.35 0.98 0.00 0.00 173.24 174.99 1wkt n THR 63 N -0.43 0.00 -4.19 2.02 -2.24 -0.06 -4.98 114.28 104.40 1wkt n THR 63 Ca -0.08 -1.94 -0.17 0.00 -2.27 0.00 0.00 64.05 59.58 1wkt n THR 63 Cb 0.57 0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 69.38 1wkt n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wkt s THR 64 N -2.84 0.48 -0.13 4.28 -1.32 -1.26 -0.79 115.64 114.07 1wkt s THR 64 Ca 0.19 -0.21 -0.04 0.00 -1.21 0.00 0.00 61.69 60.42 1wkt s THR 64 Cb 0.01 -0.44 0.06 0.00 -1.51 0.00 0.00 72.50 70.62 1wkt s THR 64 CO 0.13 0.16 0.14 -0.32 -2.21 0.00 0.00 174.62 172.52 1wkt s MET 65 N 0.18 0.06 0.01 7.08 1.75 0.16 -4.94 119.30 123.60 1wkt s MET 65 Ca -0.02 0.27 -0.09 0.00 -1.25 0.00 0.00 55.69 54.59 1wkt s MET 65 Cb -0.06 -0.98 -0.05 0.00 2.84 0.00 0.00 34.83 36.58 1wkt s MET 65 CO -0.00 -0.50 0.32 0.00 -0.65 0.00 0.00 175.02 174.19 1wkt n PRO 68 N 4.87 1.44 -2.43 0.00 -0.02 -1.26 -1.65 135.00 135.95 1wkt n PRO 68 Ca -0.13 0.53 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 1wkt n PRO 68 Cb 0.50 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1wkt n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wkt s ALA 69 N -1.33 3.42 -0.38 3.55 0.00 -1.25 -2.98 121.76 122.79 1wkt s ALA 69 Ca 0.68 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 1wkt s ALA 69 Cb -0.48 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1wkt s ALA 69 CO 0.53 -0.23 0.32 0.09 0.00 0.00 0.00 175.76 176.47 1wkt n ASN 70 N 1.13 -2.63 -3.67 0.00 3.02 -0.14 -4.51 115.26 108.45 1wkt n ASN 70 Ca -0.01 -0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 1wkt n ASN 70 Cb 0.44 -1.85 -0.08 0.00 -0.61 0.00 0.00 39.78 37.68 1wkt n ASN 70 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wkt s THR 71 N -3.10 0.01 -0.19 3.41 2.01 -1.16 -4.95 115.64 111.68 1wkt s THR 71 Ca 0.08 -0.11 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 1wkt s THR 71 Cb -0.04 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1wkt s THR 71 CO 0.21 -0.06 0.50 0.00 -0.69 0.00 0.00 174.62 174.59 1wkt s ASN 74 N -0.36 6.14 -0.82 0.00 3.04 -1.26 -1.40 114.94 120.29 1wkt s ASN 74 Ca 0.03 -0.74 -0.24 0.00 0.04 0.00 0.00 52.86 51.95 1wkt s ASN 74 Cb -0.12 -2.18 0.05 0.00 -1.54 0.00 0.00 41.25 37.46 1wkt s ASN 74 CO 0.02 -0.47 1.24 -0.63 -3.04 0.00 0.00 177.10 174.22 1wkt s ILE 75 N 1.86 4.01 0.05 -5.21 1.09 0.37 -4.92 121.20 118.45 1wkt s ILE 75 Ca 0.08 -0.28 -0.03 0.00 -1.10 0.00 0.00 60.65 59.33 1wkt s ILE 75 Cb -0.18 -4.89 -0.03 0.00 -1.06 0.00 0.00 42.46 36.30 1wkt s ILE 75 CO 0.11 -1.76 0.02 0.54 -0.10 0.00 0.00 174.94 173.75 1wkt s ASN 76 N 4.04 0.36 0.00 3.58 2.20 -1.26 -4.76 114.94 119.11 1wkt s ASN 76 Ca 0.35 -0.83 0.00 0.00 -0.94 0.00 0.00 52.86 51.44 1wkt s ASN 76 Cb -0.07 0.21 0.00 0.00 -2.00 0.00 0.00 41.25 39.39 1wkt s ASN 76 CO 0.05 -0.57 0.00 0.35 -2.94 0.00 0.00 177.10 173.99 1wkt n THR 77 N 0.36 0.00 0.27 0.54 -2.24 -1.26 -4.98 114.28 106.97 1wkt n THR 77 Ca -0.16 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1wkt n THR 77 Cb 0.60 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.53 1wkt n THR 77 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wkt h GLY 78 N 0.00 0.00 -2.22 3.38 0.00 -2.04 -3.44 103.07 98.76 1wkt h GLY 78 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1wkt h GLY 78 CO 0.00 0.00 -0.67 -0.11 0.00 0.00 0.00 176.54 175.76 1wkt s PHE 79 N -4.92 1.95 0.17 5.60 -0.71 -1.26 -5.13 117.98 113.67 1wkt s PHE 79 Ca -0.05 -0.72 -0.29 0.00 -1.04 0.00 0.00 56.93 54.83 1wkt s PHE 79 Cb 0.16 -1.12 -0.07 0.00 -1.21 0.00 0.00 43.02 40.78 1wkt s PHE 79 CO 0.64 0.26 0.93 -0.47 -1.34 0.00 0.00 175.22 175.24 1wkt s TYR 80 N -3.03 3.89 0.09 3.49 6.14 -1.26 -4.83 117.35 121.84 1wkt s TYR 80 Ca 0.30 1.82 0.07 0.00 0.64 0.00 0.00 57.07 59.90 1wkt s TYR 80 Cb 0.04 -2.99 -0.04 0.00 0.42 0.00 0.00 41.96 39.39 1wkt s TYR 80 CO 0.12 0.35 -0.12 0.96 0.64 0.00 0.00 175.55 177.50 1wkt s ILE 81 N -0.61 3.24 0.00 3.14 -0.00 -1.26 -4.65 121.20 121.06 1wkt s ILE 81 Ca 0.43 -1.25 0.00 0.00 -0.00 0.00 0.00 60.65 59.83 1wkt s ILE 81 Cb -0.24 -2.49 0.00 0.00 -0.00 0.00 0.00 42.46 39.73 1wkt s ILE 81 CO 0.30 0.16 0.08 0.54 -0.00 0.00 0.00 174.94 176.02 1wkt n ARG 82 N 0.89 0.49 -4.11 0.37 1.74 0.21 -4.97 116.66 111.27 1wkt n ARG 82 Ca -0.14 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.77 1wkt n ARG 82 Cb 0.52 -0.44 -0.10 0.00 -1.02 0.00 0.00 32.46 31.42 1wkt n ARG 82 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wkt s SER 83 N -0.09 0.32 0.24 0.55 0.01 -0.65 -0.02 113.70 114.06 1wkt s SER 83 Ca 0.00 -1.12 -0.04 0.00 1.31 0.00 0.00 55.95 56.10 1wkt s SER 83 Cb 0.00 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 1wkt s SER 83 CO 0.00 -0.72 0.28 -0.72 0.41 0.00 0.00 173.24 172.50 1wkt s TYR 84 N -4.01 0.97 -0.14 2.43 1.13 0.40 -0.65 117.35 117.49 1wkt s TYR 84 Ca 0.19 -1.21 -0.06 0.00 -1.41 0.00 0.00 57.07 54.59 1wkt s TYR 84 Cb 0.07 -0.30 0.06 0.00 -1.10 0.00 0.00 41.96 40.69 1wkt s TYR 84 CO -0.01 -0.82 0.31 0.50 -2.51 0.00 0.00 175.55 173.02 1wkt s ARG 85 N -3.93 0.23 0.28 -3.49 3.00 0.22 -0.90 118.95 114.36 1wkt s ARG 85 Ca 0.33 0.76 -0.29 0.00 -1.00 0.00 0.00 55.73 55.53 1wkt s ARG 85 Cb 0.04 0.01 -0.10 0.00 0.00 0.00 0.00 34.95 34.90 1wkt s ARG 85 CO 0.13 -0.23 1.23 0.50 0.00 0.00 0.00 175.30 176.93 1wkt s ARG 86 N 2.03 4.47 -0.20 5.12 3.52 -0.87 -0.61 118.95 132.40 1wkt s ARG 86 Ca -0.03 2.03 -0.01 0.00 -0.13 0.00 0.00 55.73 57.58 1wkt s ARG 86 Cb -0.11 -3.14 -0.12 0.00 -1.56 0.00 0.00 34.95 30.01 1wkt s ARG 86 CO -0.10 -0.05 -0.20 1.33 -0.81 0.00 0.00 175.30 175.47 1wkt n VAL 87 N 1.35 1.15 -1.12 7.11 0.24 0.02 -1.93 118.33 125.14 1wkt n VAL 87 Ca 0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1wkt n VAL 87 Cb 0.43 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.48 1wkt n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90