#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 1.66 0.00 1.61 8.00 -1.26 -4.38 116.55 122.18 1wkt n ASP 2 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1wkt n ASP 2 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1wkt n ASP 2 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wkt n GLY 3 N 2.16 -1.84 3.67 0.44 0.00 -1.26 -4.11 105.19 104.24 1wkt n GLY 3 Ca -0.09 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 -0.32 -0.13 1.61 -0.85 -1.07 -4.95 117.35 111.64 1wkt s TYR 4 Ca 0.00 -0.03 -0.02 0.00 -0.52 0.00 0.00 57.07 56.49 1wkt s TYR 4 Cb 0.00 0.63 0.04 0.00 0.38 0.00 0.00 41.96 43.01 1wkt s TYR 4 CO 0.00 -1.07 0.03 -1.17 -1.52 0.00 0.00 175.55 171.82 1wkt s LEU 5 N -2.85 0.72 0.37 -3.49 0.20 -1.26 -2.02 118.68 110.35 1wkt s LEU 5 Ca 0.07 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.51 1wkt s LEU 5 Cb -0.04 -0.44 -0.04 0.00 -0.43 0.00 0.00 46.19 45.24 1wkt s LEU 5 CO -0.01 -0.26 0.10 0.27 -0.29 0.00 0.00 176.35 176.16 1wkt s ILE 6 N 1.97 0.78 0.24 6.68 -4.36 -0.47 -4.94 121.20 121.10 1wkt s ILE 6 Ca 0.02 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 1wkt s ILE 6 Cb -0.14 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 1wkt s ILE 6 CO -0.07 0.00 -0.04 0.00 0.24 0.00 0.00 174.94 175.08 1wkt s MET 7 N -3.80 1.37 0.09 0.37 0.23 -1.26 -0.99 119.30 115.32 1wkt s MET 7 Ca 0.29 -1.68 -0.06 0.00 -1.03 0.00 0.00 55.69 53.21 1wkt s MET 7 Cb 0.05 -0.80 -0.02 0.00 -1.53 0.00 0.00 34.83 32.53 1wkt s MET 7 CO 0.15 -0.03 0.12 0.00 -2.03 0.00 0.00 175.02 173.23 1wkt h LYS 9 N 2.86 -0.31 0.00 0.00 1.57 -1.68 -3.02 116.57 116.00 1wkt h LYS 9 Ca -0.34 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.27 1wkt h LYS 9 Cb 1.18 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 1wkt h LYS 9 CO 0.59 -0.20 -0.16 0.27 -0.57 0.00 0.00 179.45 179.37 1wkt n ASN 10 N -5.37 0.77 0.00 0.86 6.94 -1.26 -3.08 115.26 114.12 1wkt n ASN 10 Ca -0.03 -1.77 0.06 0.00 -0.02 0.00 0.00 54.58 52.83 1wkt n ASN 10 Cb 0.28 0.41 0.37 0.00 -2.36 0.00 0.00 39.78 38.48 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 -1.74 6.15 0.33 0.00 -1.08 -1.26 -4.92 116.67 114.14 1wkt s ASP 12 Ca 0.19 -1.33 0.04 0.00 -0.52 0.00 0.00 52.55 50.93 1wkt s ASP 12 Cb 0.09 -2.18 0.58 0.00 -1.46 0.00 0.00 42.92 39.94 1wkt s ASP 12 CO 0.14 -0.65 1.86 1.55 0.52 0.00 0.00 175.17 178.60 1wkt h PRO 13 N 8.75 0.53 -0.02 4.34 0.13 -1.99 0.19 132.00 143.93 1wkt h PRO 13 Ca -0.28 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1wkt h PRO 13 Cb 1.11 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1wkt h PRO 13 CO 0.88 0.57 -0.19 -0.97 -0.23 0.00 0.00 178.00 178.06 1wkt h ASN 14 N 0.50 0.21 0.00 1.44 -0.73 -1.98 -3.39 115.58 111.63 1wkt h ASN 14 Ca 0.11 -0.70 0.00 0.00 1.87 0.00 0.00 56.30 57.58 1wkt h ASN 14 Cb 0.36 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1wkt h ASN 14 CO 0.01 0.88 -0.12 1.07 -0.37 0.00 0.00 177.43 178.90 1wkt n THR 15 N -4.56 1.20 0.06 -3.57 5.66 -1.24 -4.65 114.28 107.17 1wkt n THR 15 Ca -0.09 -1.41 -0.14 0.00 -3.05 0.00 0.00 64.05 59.36 1wkt n THR 15 Cb 0.45 0.12 -0.04 0.00 -1.55 0.00 0.00 70.33 69.31 1wkt n THR 15 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1wkt h GLY 16 N 0.00 0.51 -2.51 1.09 0.00 -1.14 -3.49 103.07 97.52 1wkt h GLY 16 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1wkt h GLY 16 CO 0.00 0.75 -0.34 1.44 0.00 0.00 0.00 176.54 178.40 1wkt n SER 17 N -3.78 -4.52 -4.09 0.19 7.64 -1.26 -4.23 113.62 103.57 1wkt n SER 17 Ca -0.07 0.56 -0.12 0.00 1.01 0.00 0.00 58.87 60.25 1wkt n SER 17 Cb 0.81 -2.44 -0.11 0.00 -1.01 0.00 0.00 64.21 61.46 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 -1.97 6.46 -1.09 0.00 -4.77 0.58 -4.82 116.67 111.06 1wkt s ASP 19 Ca -0.04 -1.57 -0.07 0.00 -3.30 0.00 0.00 52.55 47.56 1wkt s ASP 19 Cb -0.06 -2.44 -0.05 0.00 -1.09 0.00 0.00 42.92 39.28 1wkt s ASP 19 CO -0.01 -1.29 2.92 0.79 0.70 0.00 0.00 175.17 178.28 1wkt n TRP 20 N 7.43 1.89 -4.21 2.11 7.02 -1.26 -4.03 117.44 126.38 1wkt n TRP 20 Ca 0.17 -2.57 -0.16 0.00 -1.02 0.00 0.00 57.50 53.91 1wkt n TRP 20 Cb 0.48 -2.01 -0.03 0.00 -2.42 0.00 0.00 31.31 27.34 1wkt n TRP 20 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1wkt n LYS 21 N 2.54 1.28 -1.99 -0.99 0.00 -1.26 -5.11 118.16 112.64 1wkt n LYS 21 Ca 0.64 -1.91 -0.39 0.00 0.00 0.00 0.00 58.31 56.65 1wkt n LYS 21 Cb 0.41 0.43 0.00 0.00 0.00 0.00 0.00 35.03 35.87 1wkt n LYS 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1wkt s GLN 22 N -3.02 3.84 0.00 1.64 0.74 -1.26 -4.89 119.66 116.71 1wkt s GLN 22 Ca 0.04 2.21 0.00 0.00 0.05 0.00 0.00 55.36 57.66 1wkt s GLN 22 Cb -0.00 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.42 1wkt s GLN 22 CO 0.03 -0.61 0.00 0.09 -0.55 0.00 0.00 175.29 174.24 1wkt n ASN 23 N -0.04 0.00 -4.54 6.67 3.02 -1.26 -5.06 115.26 114.05 1wkt n ASN 23 Ca 0.05 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.34 1wkt n ASN 23 Cb 0.43 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.50 1wkt n ASN 23 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1wkt s TRP 24 N 0.00 2.41 -0.88 3.10 -0.11 -1.26 -1.81 118.94 120.38 1wkt s TRP 24 Ca 0.00 -0.43 -0.22 0.00 1.22 0.00 0.00 56.10 56.67 1wkt s TRP 24 Cb 0.00 -1.29 0.03 0.00 -1.50 0.00 0.00 33.47 30.71 1wkt s TRP 24 CO 0.00 0.61 0.41 0.09 -4.62 0.00 0.00 176.95 173.44 1wkt n ASN 25 N -0.78 -2.39 -1.90 5.86 4.13 -1.26 -4.88 115.26 114.04 1wkt n ASN 25 Ca -0.05 -0.92 -0.01 0.00 1.68 0.00 0.00 54.58 55.28 1wkt n ASN 25 Cb 0.62 -1.10 0.01 0.00 -1.54 0.00 0.00 39.78 37.77 1wkt n ASN 25 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1wkt n THR 26 N -3.80 0.00 -5.15 3.41 -1.04 -1.26 -5.17 114.28 101.27 1wkt n THR 26 Ca -0.10 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.39 1wkt n THR 26 Cb 0.40 0.31 -0.16 0.00 -1.82 0.00 0.00 70.33 69.06 1wkt n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wkt s VAL 28 N -0.19 0.02 -0.12 0.00 1.01 -1.26 -5.06 120.40 114.80 1wkt s VAL 28 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1wkt s VAL 28 Cb -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1wkt s VAL 28 CO 0.02 -0.08 0.09 -0.83 0.00 0.00 0.00 175.10 174.31 1wkt s GLY 29 N -0.23 2.03 0.28 4.51 0.00 -1.26 -3.67 107.32 108.98 1wkt s GLY 29 Ca -0.04 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.04 1wkt s GLY 29 CO 0.01 -0.34 -0.03 -0.42 0.00 0.00 0.00 173.10 172.32 1wkt s ILE 30 N -0.70 1.50 -5.00 0.90 1.09 0.33 -5.01 121.20 114.30 1wkt s ILE 30 Ca 0.12 -2.09 0.00 0.00 -1.10 0.00 0.00 60.65 57.58 1wkt s ILE 30 Cb -0.12 -2.49 0.00 0.00 -1.06 0.00 0.00 42.46 38.79 1wkt s ILE 30 CO 0.03 -0.26 0.00 0.61 -0.10 0.00 0.00 174.94 175.22 1wkt n GLY 31 N -0.58 -2.42 2.65 6.18 0.00 -1.26 -4.77 105.19 104.99 1wkt n GLY 31 Ca -0.05 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.10 -3.60 -2.06 4.61 0.00 -1.26 -3.90 120.51 114.20 1wkt n ALA 32 Ca 0.00 1.38 -0.17 0.00 0.00 0.00 0.00 53.44 54.65 1wkt n ALA 32 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 19.45 16.72 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 1.15 -4.83 -4.03 0.00 0.23 -1.26 -4.95 115.26 101.57 1wkt n ASN 33 Ca -0.19 0.21 -0.31 0.00 -0.53 0.00 0.00 54.58 53.76 1wkt n ASN 33 Cb 0.30 -4.16 -0.15 0.00 -2.08 0.00 0.00 39.78 33.69 1wkt n ASN 33 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1wkt s VAL 34 N -2.70 2.18 -0.23 3.53 1.01 -1.25 -4.30 120.40 118.64 1wkt s VAL 34 Ca 0.00 -2.05 0.19 0.00 0.00 0.00 0.00 61.98 60.13 1wkt s VAL 34 Cb 0.00 -2.49 0.44 0.00 0.00 0.00 0.00 36.38 34.33 1wkt s VAL 34 CO 0.00 -0.39 1.22 0.00 0.00 0.00 0.00 175.10 175.93 1wkt n HIS 35 N 4.34 0.17 -3.68 5.22 1.44 -1.18 -4.56 115.22 116.98 1wkt n HIS 35 Ca -0.03 -1.73 -0.24 0.00 -2.01 0.00 0.00 57.72 53.71 1wkt n HIS 35 Cb 0.42 0.29 -0.17 0.00 0.12 0.00 0.00 29.99 30.65 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 -2.09 0.39 0.22 -1.40 0.52 -1.14 -0.28 118.94 115.15 1wkt s TRP 36 Ca 0.22 -0.24 -0.23 0.00 0.02 0.00 0.00 56.10 55.86 1wkt s TRP 36 Cb 0.34 -0.72 -0.08 0.00 -1.15 0.00 0.00 33.47 31.86 1wkt s TRP 36 CO -0.08 -0.42 0.79 1.41 0.02 0.00 0.00 176.95 178.67 1wkt s MET 37 N 2.07 4.44 -0.02 4.98 -2.45 0.04 -0.06 119.30 128.30 1wkt s MET 37 Ca 0.03 1.07 0.00 0.00 -1.25 0.00 0.00 55.69 55.54 1wkt s MET 37 Cb -0.15 -3.02 0.03 0.00 1.25 0.00 0.00 34.83 32.94 1wkt s MET 37 CO -0.07 0.45 0.01 0.08 1.05 0.00 0.00 175.02 176.54 1wkt s VAL 38 N -1.39 0.11 -0.03 10.11 1.01 -0.16 -0.11 120.40 129.94 1wkt s VAL 38 Ca 0.41 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 1wkt s VAL 38 Cb -0.20 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1wkt s VAL 38 CO 0.24 0.12 0.21 0.28 0.00 0.00 0.00 175.10 175.94 1wkt s THR 39 N 0.93 0.05 0.00 3.92 -1.32 -0.61 -1.37 115.64 117.24 1wkt s THR 39 Ca -0.09 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1wkt s THR 39 Cb -0.12 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1wkt s THR 39 CO -0.02 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1wkt n GLY 40 N 1.93 0.51 3.32 6.08 0.00 -0.86 -0.68 105.19 115.50 1wkt n GLY 40 Ca -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 1.98 0.00 -0.02 0.00 -1.26 -2.59 105.19 103.30 1wkt n GLY 41 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1wkt n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wkt n SER 42 N 3.77 0.00 0.00 1.61 7.64 -1.26 -5.02 113.62 120.36 1wkt n SER 42 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1wkt n SER 42 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wkt n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wkt n THR 43 N -0.13 0.00 -2.30 0.44 -2.24 -1.26 -4.80 114.28 103.98 1wkt n THR 43 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1wkt n THR 43 Cb 0.00 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1wkt n THR 43 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wkt n ASP 44 N -0.55 4.47 -0.13 3.42 5.75 -1.26 -4.59 116.55 123.67 1wkt n ASP 44 Ca 0.00 -2.88 -0.28 0.00 -0.01 0.00 0.00 54.79 51.63 1wkt n ASP 44 Cb 0.00 -1.71 -0.09 0.00 -1.03 0.00 0.00 41.12 38.29 1wkt n ASP 44 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wkt n GLY 45 N 5.12 -0.42 0.86 6.12 0.00 -1.26 -4.48 105.19 111.13 1wkt n GLY 45 Ca 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.15 -2.45 -1.98 1.61 5.02 -1.26 -4.94 118.16 110.01 1wkt n LYS 46 Ca -0.51 1.82 -0.39 0.00 -2.02 0.00 0.00 58.31 57.21 1wkt n LYS 46 Cb 0.87 -2.05 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1wkt n LYS 46 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1wkt s GLN 47 N -4.69 3.79 0.12 1.97 -2.07 -1.26 -4.17 119.66 113.34 1wkt s GLN 47 Ca 0.00 2.20 0.04 0.00 -1.82 0.00 0.00 55.36 55.78 1wkt s GLN 47 Cb 0.00 -2.65 -0.04 0.00 -1.09 0.00 0.00 33.01 29.24 1wkt s GLN 47 CO 0.00 -0.66 0.11 0.20 -1.32 0.00 0.00 175.29 173.62 1wkt s GLY 48 N -0.76 1.89 0.14 2.60 0.00 -0.58 -4.91 107.32 105.69 1wkt s GLY 48 Ca 0.60 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 44.30 1wkt s GLY 48 CO 0.49 -1.09 -0.16 0.00 0.00 0.00 0.00 173.10 172.35 1wkt s ALA 50 N -2.04 -0.27 -0.29 0.00 0.00 0.26 -0.55 121.76 118.86 1wkt s ALA 50 Ca 0.11 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 1wkt s ALA 50 Cb -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1wkt s ALA 50 CO 0.04 -0.12 0.91 0.99 0.00 0.00 0.00 175.76 177.58 1wkt s THR 51 N 0.78 4.70 0.09 0.00 2.01 -0.47 -0.63 115.64 122.13 1wkt s THR 51 Ca -0.06 1.51 -0.08 0.00 0.31 0.00 0.00 61.69 63.37 1wkt s THR 51 Cb -0.08 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 1wkt s THR 51 CO -0.04 -0.28 0.38 -0.63 -0.69 0.00 0.00 174.62 173.36 1wkt s ILE 52 N 3.17 5.14 0.09 1.82 1.01 -0.08 -1.45 121.20 130.90 1wkt s ILE 52 Ca 0.38 0.29 0.08 0.00 0.00 0.00 0.00 60.65 61.40 1wkt s ILE 52 Cb -0.14 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1wkt s ILE 52 CO 0.12 0.22 -0.22 0.26 0.00 0.00 0.00 174.94 175.32 1wkt s TRP 53 N -1.47 1.88 -0.01 3.97 0.51 0.34 -0.92 118.94 123.24 1wkt s TRP 53 Ca 0.35 -0.40 -0.22 0.00 -2.12 0.00 0.00 56.10 53.71 1wkt s TRP 53 Cb -0.13 -1.06 -0.22 0.00 -0.81 0.00 0.00 33.47 31.25 1wkt s TRP 53 CO 0.20 0.18 1.12 1.49 -0.51 0.00 0.00 176.95 179.43 1wkt h GLU 54 N 4.32 0.30 -6.93 4.98 4.81 -0.87 0.44 114.58 121.63 1wkt h GLU 54 Ca -0.46 -0.28 -0.56 0.00 -0.13 0.00 0.00 59.36 57.94 1wkt h GLU 54 Cb 1.17 0.07 0.13 0.00 0.63 0.00 0.00 28.75 30.75 1wkt h GLU 54 CO 0.41 0.95 0.53 0.41 -0.73 0.00 0.00 179.01 180.58 1wkt n GLY 55 N 0.88 0.61 3.59 1.92 0.00 -0.48 -3.64 105.19 108.08 1wkt n GLY 55 Ca -0.09 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1wkt n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wkt s SER 56 N -0.72 5.70 0.00 1.61 0.01 -1.26 -3.09 113.70 115.95 1wkt s SER 56 Ca 0.66 1.32 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1wkt s SER 56 Cb -0.46 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.25 1wkt s SER 56 CO 0.54 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.94 1wkt n GLY 57 N 5.53 0.56 4.13 3.44 0.00 -1.26 -4.61 105.19 112.98 1wkt n GLY 57 Ca 0.24 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.59 1.12 0.00 0.00 -7.23 -1.26 -5.00 120.40 104.43 1wkt s VAL 59 Ca 0.43 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1wkt s VAL 59 Cb -0.24 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1wkt s VAL 59 CO 0.92 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.32 1wkt n GLY 60 N -1.07 -0.07 3.80 2.32 0.00 -1.26 -1.38 105.19 107.53 1wkt n GLY 60 Ca -0.12 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 4.37 0.17 1.61 3.52 -1.26 -4.86 118.95 122.50 1wkt s ARG 61 Ca 0.00 1.21 -0.00 0.00 -0.13 0.00 0.00 55.73 56.81 1wkt s ARG 61 Cb 0.00 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.90 1wkt s ARG 61 CO 0.00 0.09 0.07 -1.54 -0.81 0.00 0.00 175.30 173.12 1wkt s SER 62 N -1.93 0.47 -0.30 -2.12 1.04 -1.26 -0.37 113.70 109.23 1wkt s SER 62 Ca 0.57 -1.27 -0.09 0.00 0.48 0.00 0.00 55.95 55.64 1wkt s SER 62 Cb -0.13 0.28 0.14 0.00 0.10 0.00 0.00 66.02 66.41 1wkt s SER 62 CO 0.18 -0.74 0.66 0.28 0.98 0.00 0.00 173.24 174.60 1wkt s THR 63 N -4.00 -0.97 -0.18 2.02 -1.32 -0.10 -4.98 115.64 106.11 1wkt s THR 63 Ca 0.29 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.48 1wkt s THR 63 Cb 0.07 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.04 1wkt s THR 63 CO 0.06 0.00 1.48 0.28 -2.21 0.00 0.00 174.62 174.23 1wkt s THR 64 N 2.87 3.89 -0.11 5.08 -1.32 -1.26 -0.90 115.64 123.90 1wkt s THR 64 Ca -0.03 1.05 -0.03 0.00 -1.21 0.00 0.00 61.69 61.46 1wkt s THR 64 Cb -0.12 -3.79 -0.03 0.00 -1.51 0.00 0.00 72.50 67.04 1wkt s THR 64 CO -0.19 -0.22 0.02 -0.32 -2.21 0.00 0.00 174.62 171.69 1wkt s MET 65 N 4.13 3.20 0.10 7.08 1.75 0.20 -4.96 119.30 130.81 1wkt s MET 65 Ca 0.65 -0.39 0.07 0.00 -1.25 0.00 0.00 55.69 54.78 1wkt s MET 65 Cb -0.25 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.50 1wkt s MET 65 CO 0.24 0.62 -0.11 0.00 -0.65 0.00 0.00 175.02 175.12 1wkt s PRO 68 N 2.22 3.62 -0.44 0.00 0.04 -1.26 -1.53 135.00 137.65 1wkt s PRO 68 Ca -0.05 1.55 -0.28 0.00 0.04 0.00 0.00 61.00 62.26 1wkt s PRO 68 Cb -0.11 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1wkt s PRO 68 CO -0.14 -0.62 1.51 0.00 0.04 0.00 0.00 177.00 177.79 1wkt s ALA 69 N -1.80 2.92 0.00 8.56 0.00 -1.26 -2.18 121.76 128.00 1wkt s ALA 69 Ca 0.69 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1wkt s ALA 69 Cb -0.22 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1wkt s ALA 69 CO 0.26 -2.63 0.00 0.09 0.00 0.00 0.00 175.76 173.48 1wkt n ASN 70 N 9.45 0.00 -3.74 0.00 3.02 0.15 -4.74 115.26 119.40 1wkt n ASN 70 Ca 0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.61 1wkt n ASN 70 Cb 0.48 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.59 1wkt n ASN 70 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1wkt s THR 71 N -1.44 0.09 -0.01 3.41 -1.32 -0.25 -4.98 115.64 111.13 1wkt s THR 71 Ca 0.00 -0.72 -0.16 0.00 -1.21 0.00 0.00 61.69 59.60 1wkt s THR 71 Cb 0.00 -1.06 -0.06 0.00 -1.51 0.00 0.00 72.50 69.87 1wkt s THR 71 CO 0.00 -0.40 0.43 0.00 -2.21 0.00 0.00 174.62 172.45 1wkt n ASN 74 N 4.75 3.67 -4.70 0.00 5.15 -1.26 -0.78 115.26 122.08 1wkt n ASN 74 Ca -0.01 0.96 -0.42 0.00 -0.60 0.00 0.00 54.58 54.51 1wkt n ASN 74 Cb 0.42 -1.43 -0.03 0.00 -0.53 0.00 0.00 39.78 38.21 1wkt n ASN 74 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wkt s ILE 75 N 3.97 4.65 -0.30 -1.44 1.09 0.61 -4.90 121.20 124.87 1wkt s ILE 75 Ca 0.91 1.91 -0.13 0.00 -1.10 0.00 0.00 60.65 62.23 1wkt s ILE 75 Cb -0.61 -4.22 0.18 0.00 -1.06 0.00 0.00 42.46 36.75 1wkt s ILE 75 CO 0.48 0.11 1.10 0.20 -0.10 0.00 0.00 174.94 176.73 1wkt s ASN 76 N 1.08 -0.25 0.67 3.58 0.01 -1.26 -4.77 114.94 113.99 1wkt s ASN 76 Ca 0.53 0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.67 1wkt s ASN 76 Cb -0.22 1.04 0.08 0.00 0.41 0.00 0.00 41.25 42.56 1wkt s ASN 76 CO 0.26 -0.04 0.51 0.35 -1.51 0.00 0.00 177.10 176.66 1wkt n THR 77 N 4.87 0.00 0.61 1.60 -2.24 -1.26 -4.97 114.28 112.89 1wkt n THR 77 Ca 0.09 -0.67 0.06 0.00 -2.27 0.00 0.00 64.05 61.27 1wkt n THR 77 Cb 0.59 -1.31 0.31 0.00 -2.10 0.00 0.00 70.33 67.82 1wkt n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkt n GLY 78 N 1.27 -0.59 3.14 3.38 0.00 -1.26 -4.63 105.19 106.49 1wkt n GLY 78 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1wkt n GLY 78 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wkt s PHE 79 N -2.41 0.33 0.37 1.61 -0.71 -1.26 -5.14 117.98 110.77 1wkt s PHE 79 Ca 0.13 -0.80 -0.27 0.00 -1.04 0.00 0.00 56.93 54.96 1wkt s PHE 79 Cb 0.08 -0.23 -0.09 0.00 -1.21 0.00 0.00 43.02 41.57 1wkt s PHE 79 CO 0.17 -0.44 1.21 -0.47 -1.34 0.00 0.00 175.22 174.35 1wkt s TYR 80 N -3.67 3.10 0.01 3.49 5.04 -1.26 -4.96 117.35 119.09 1wkt s TYR 80 Ca 0.04 1.52 0.06 0.00 -2.44 0.00 0.00 57.07 56.26 1wkt s TYR 80 Cb 0.05 -3.48 -0.03 0.00 0.35 0.00 0.00 41.96 38.85 1wkt s TYR 80 CO -0.09 -1.45 -0.19 0.96 -1.34 0.00 0.00 175.55 173.44 1wkt s ILE 81 N -1.30 2.68 0.00 3.14 -0.00 -1.26 -4.58 121.20 119.88 1wkt s ILE 81 Ca 0.53 -1.07 0.00 0.00 -0.00 0.00 0.00 60.65 60.12 1wkt s ILE 81 Cb -0.34 -2.07 0.00 0.00 -0.00 0.00 0.00 42.46 40.05 1wkt s ILE 81 CO 0.44 0.45 0.00 -1.14 -0.00 0.00 0.00 174.94 174.69 1wkt n ARG 82 N 1.93 2.92 -4.31 0.37 0.63 0.06 -4.87 116.66 113.38 1wkt n ARG 82 Ca -0.16 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.60 1wkt n ARG 82 Cb 0.52 -0.72 -0.10 0.00 0.45 0.00 0.00 32.46 32.61 1wkt n ARG 82 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1wkt s SER 83 N -1.01 1.27 0.19 6.15 0.01 -0.66 -0.51 113.70 119.14 1wkt s SER 83 Ca 0.00 -1.34 -0.23 0.00 1.31 0.00 0.00 55.95 55.69 1wkt s SER 83 Cb 0.00 0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.42 1wkt s SER 83 CO 0.00 -0.69 0.81 -0.72 0.41 0.00 0.00 173.24 173.05 1wkt s TYR 84 N -3.71 -0.22 -0.15 2.43 1.13 -1.24 -0.51 117.35 115.08 1wkt s TYR 84 Ca 0.35 -0.12 -0.24 0.00 -1.41 0.00 0.00 57.07 55.65 1wkt s TYR 84 Cb 0.07 0.65 0.06 0.00 -1.10 0.00 0.00 41.96 41.64 1wkt s TYR 84 CO 0.12 -0.98 0.60 0.50 -2.51 0.00 0.00 175.55 173.28 1wkt s ARG 85 N -3.59 0.83 0.29 -3.49 6.06 -0.53 -4.33 118.95 114.18 1wkt s ARG 85 Ca 0.10 0.54 -0.29 0.00 -2.50 0.00 0.00 55.73 53.57 1wkt s ARG 85 Cb -0.03 0.40 -0.10 0.00 0.06 0.00 0.00 34.95 35.27 1wkt s ARG 85 CO 0.01 -0.18 1.37 -0.98 -2.50 0.00 0.00 175.30 173.03 1wkt s ARG 86 N -0.37 4.31 -0.01 5.12 1.70 -0.75 -1.36 118.95 127.59 1wkt s ARG 86 Ca -0.05 2.26 0.14 0.00 -0.47 0.00 0.00 55.73 57.61 1wkt s ARG 86 Cb -0.03 -3.09 -0.18 0.00 -0.57 0.00 0.00 34.95 31.08 1wkt s ARG 86 CO 0.04 -0.31 0.51 1.33 -1.08 0.00 0.00 175.30 175.79 1wkt n VAL 87 N 1.58 0.00 -0.50 4.99 0.24 0.29 -4.38 118.33 120.55 1wkt n VAL 87 Ca 0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1wkt n VAL 87 Cb 0.41 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1wkt n VAL 87 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85