#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkt s ASP 2 N 0.00 -0.22 0.63 1.61 1.11 -1.26 -4.80 116.67 113.75 1wkt s ASP 2 Ca 0.00 0.33 -0.14 0.00 0.18 0.00 0.00 52.55 52.92 1wkt s ASP 2 Cb 0.00 1.15 -0.02 0.00 1.07 0.00 0.00 42.92 45.12 1wkt s ASP 2 CO 0.00 -0.05 1.05 -0.83 1.18 0.00 0.00 175.17 176.53 1wkt s GLY 3 N 1.53 1.93 -0.08 0.21 0.00 -0.09 -4.32 107.32 106.50 1wkt s GLY 3 Ca -0.05 0.25 -0.32 0.00 0.00 0.00 0.00 44.72 44.60 1wkt s GLY 3 CO -0.13 0.56 1.39 -2.52 0.00 0.00 0.00 173.10 172.40 1wkt s TYR 4 N -2.71 -0.00 -0.10 1.90 -0.85 -0.22 -4.84 117.35 110.52 1wkt s TYR 4 Ca 0.61 -0.02 -0.03 0.00 -0.52 0.00 0.00 57.07 57.11 1wkt s TYR 4 Cb -0.15 0.51 0.04 0.00 0.38 0.00 0.00 41.96 42.74 1wkt s TYR 4 CO 0.44 -0.05 0.06 -1.17 -1.52 0.00 0.00 175.55 173.31 1wkt s LEU 5 N -3.46 0.37 0.05 -3.49 0.20 -1.26 -1.22 118.68 109.87 1wkt s LEU 5 Ca 0.23 -0.24 -0.02 0.00 0.69 0.00 0.00 54.13 54.80 1wkt s LEU 5 Cb 0.04 -0.26 -0.03 0.00 -0.43 0.00 0.00 46.19 45.50 1wkt s LEU 5 CO -0.05 -0.28 -0.00 0.27 -0.29 0.00 0.00 176.35 176.01 1wkt s ILE 6 N 2.10 0.20 0.46 6.68 -4.36 -1.26 -4.88 121.20 120.14 1wkt s ILE 6 Ca 0.04 -1.63 0.03 0.00 -0.26 0.00 0.00 60.65 58.82 1wkt s ILE 6 Cb -0.14 -1.36 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 1wkt s ILE 6 CO -0.06 -0.90 0.02 0.00 0.24 0.00 0.00 174.94 174.24 1wkt s MET 7 N -3.63 2.07 0.04 0.37 0.23 -1.26 -1.19 119.30 115.94 1wkt s MET 7 Ca 0.04 -2.27 -0.18 0.00 -1.03 0.00 0.00 55.69 52.25 1wkt s MET 7 Cb 0.06 -1.41 0.04 0.00 -1.53 0.00 0.00 34.83 31.98 1wkt s MET 7 CO -0.09 -0.28 0.41 0.00 -2.03 0.00 0.00 175.02 173.03 1wkt n LYS 9 N 0.52 0.88 -1.82 0.00 5.02 -0.79 -3.33 118.16 118.64 1wkt n LYS 9 Ca -0.19 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.08 1wkt n LYS 9 Cb 0.60 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 34.21 1wkt n LYS 9 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1wkt n ASN 10 N -0.90 -0.63 -0.22 4.39 0.23 -1.26 -4.63 115.26 112.24 1wkt n ASN 10 Ca 0.17 -1.46 0.10 0.00 -0.53 0.00 0.00 54.58 52.87 1wkt n ASN 10 Cb 0.08 1.05 0.51 0.00 -2.08 0.00 0.00 39.78 39.34 1wkt n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wkt s ASP 12 N -1.62 4.14 0.10 0.00 2.15 -1.26 -4.89 116.67 115.28 1wkt s ASP 12 Ca 0.31 -0.29 -0.19 0.00 0.43 0.00 0.00 52.55 52.81 1wkt s ASP 12 Cb 0.15 -1.63 -0.07 0.00 -0.30 0.00 0.00 42.92 41.07 1wkt s ASP 12 CO 0.25 0.17 1.61 1.55 -0.17 0.00 0.00 175.17 178.57 1wkt h PRO 13 N 6.68 0.38 0.05 4.34 0.13 -1.97 -1.37 132.00 140.24 1wkt h PRO 13 Ca -0.27 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1wkt h PRO 13 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wkt h PRO 13 CO 0.57 0.46 -0.03 -0.97 -0.23 0.00 0.00 178.00 177.80 1wkt h ASN 14 N 0.22 -0.06 -0.32 1.44 -1.24 -1.99 -3.03 115.58 110.61 1wkt h ASN 14 Ca 0.08 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.90 1wkt h ASN 14 Cb 0.24 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1wkt h ASN 14 CO -0.00 0.15 0.00 1.07 -1.29 0.00 0.00 177.43 177.36 1wkt n THR 15 N -5.03 1.57 -0.03 -3.57 5.66 -1.26 -4.49 114.28 107.13 1wkt n THR 15 Ca -0.08 -1.38 -0.13 0.00 -3.05 0.00 0.00 64.05 59.41 1wkt n THR 15 Cb 0.14 0.17 -0.11 0.00 -1.55 0.00 0.00 70.33 68.98 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 1.97 -0.00 -2.80 1.09 0.00 -1.11 -3.47 103.07 98.75 1wkt h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wkt h GLY 16 CO 0.10 -0.00 -0.44 -1.26 0.00 0.00 0.00 176.54 174.94 1wkt n SER 17 N -4.78 -5.31 -4.04 0.19 2.88 -1.25 -3.76 113.62 97.55 1wkt n SER 17 Ca -0.09 0.72 -0.13 0.00 -1.33 0.00 0.00 58.87 58.03 1wkt n SER 17 Cb 0.32 -2.90 -0.12 0.00 -0.75 0.00 0.00 64.21 60.76 1wkt n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wkt s ASP 19 N -1.37 6.53 -1.25 0.00 -4.77 0.30 -4.81 116.67 111.29 1wkt s ASP 19 Ca -0.08 -2.01 -0.08 0.00 -3.30 0.00 0.00 52.55 47.08 1wkt s ASP 19 Cb -0.09 -2.32 -0.04 0.00 -1.09 0.00 0.00 42.92 39.38 1wkt s ASP 19 CO 0.00 -0.96 2.87 0.79 0.70 0.00 0.00 175.17 178.58 1wkt n TRP 20 N 5.84 2.10 -4.68 2.11 7.02 -1.26 -4.25 117.44 124.32 1wkt n TRP 20 Ca 0.11 -2.74 -0.32 0.00 -1.02 0.00 0.00 57.50 53.53 1wkt n TRP 20 Cb 0.47 -2.12 -0.07 0.00 -2.42 0.00 0.00 31.31 27.16 1wkt n TRP 20 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1wkt s LYS 21 N 0.80 2.18 0.41 -0.99 2.47 -1.26 -5.11 119.74 118.24 1wkt s LYS 21 Ca 0.64 -2.34 -0.26 0.00 -1.56 0.00 0.00 55.97 52.45 1wkt s LYS 21 Cb 0.21 -1.58 -0.08 0.00 -1.46 0.00 0.00 37.83 34.92 1wkt s LYS 21 CO -0.07 -0.35 1.26 -1.14 0.16 0.00 0.00 175.35 175.21 1wkt s GLN 22 N -3.89 3.95 0.00 4.03 0.74 -1.26 -4.88 119.66 118.35 1wkt s GLN 22 Ca 0.11 2.06 0.00 0.00 0.05 0.00 0.00 55.36 57.57 1wkt s GLN 22 Cb 0.02 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 31.43 1wkt s GLN 22 CO 0.06 -0.47 0.00 0.09 -0.55 0.00 0.00 175.29 174.41 1wkt n ASN 23 N 0.05 0.00 -4.74 6.67 3.02 -1.26 -4.98 115.26 114.02 1wkt n ASN 23 Ca 0.04 -0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.34 1wkt n ASN 23 Cb 0.45 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.71 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 2.37 0.00 3.10 -0.11 -1.26 -1.10 118.94 121.94 1wkt s TRP 24 Ca 0.00 0.20 0.00 0.00 1.22 0.00 0.00 56.10 57.52 1wkt s TRP 24 Cb 0.00 -3.25 0.00 0.00 -1.50 0.00 0.00 33.47 28.72 1wkt s TRP 24 CO 0.00 -1.63 0.56 0.09 -4.62 0.00 0.00 176.95 171.35 1wkt n ASN 25 N -2.98 -1.13 -3.79 5.86 3.02 -0.36 -4.59 115.26 111.29 1wkt n ASN 25 Ca 0.11 -0.75 0.02 0.00 -0.03 0.00 0.00 54.58 53.93 1wkt n ASN 25 Cb 0.60 -0.27 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 1wkt n ASN 25 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1wkt s THR 26 N 0.65 0.00 0.03 3.41 -1.32 -1.26 -5.06 115.64 112.08 1wkt s THR 26 Ca 0.00 -0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 59.99 1wkt s THR 26 Cb 0.00 -2.88 -0.06 0.00 -1.51 0.00 0.00 72.50 68.05 1wkt s THR 26 CO 0.00 0.00 1.30 0.00 -2.21 0.00 0.00 174.62 173.71 1wkt s VAL 28 N 1.77 1.28 0.73 0.00 1.01 0.10 -5.02 120.40 120.27 1wkt s VAL 28 Ca 0.61 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 1wkt s VAL 28 Cb -0.31 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 34.98 1wkt s VAL 28 CO 0.27 0.38 1.07 -0.83 0.00 0.00 0.00 175.10 175.99 1wkt s GLY 29 N 0.23 1.65 0.06 4.51 0.00 -1.26 -0.81 107.32 111.70 1wkt s GLY 29 Ca -0.07 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.64 1wkt s GLY 29 CO 0.03 0.31 -0.08 -0.42 0.00 0.00 0.00 173.10 172.93 1wkt s ILE 30 N -3.10 0.63 0.00 0.90 1.01 0.12 -4.68 121.20 116.08 1wkt s ILE 30 Ca 0.59 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1wkt s ILE 30 Cb -0.14 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1wkt s ILE 30 CO 0.55 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1wkt n GLY 31 N 1.15 3.53 2.29 6.18 0.00 -1.26 -4.51 105.19 112.56 1wkt n GLY 31 Ca -0.21 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.19 -3.20 -0.69 4.61 0.00 -1.26 -3.93 120.51 114.86 1wkt n ALA 32 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1wkt n ALA 32 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 0.13 -1.89 -4.47 0.00 3.02 -1.26 -4.92 115.26 105.87 1wkt n ASN 33 Ca 0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.15 1wkt n ASN 33 Cb 0.11 -2.65 -0.04 0.00 -0.61 0.00 0.00 39.78 36.60 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 -1.16 4.24 0.00 2.41 1.01 -1.25 -4.17 120.40 121.47 1wkt s VAL 34 Ca 0.00 -0.35 0.17 0.00 0.00 0.00 0.00 61.98 61.80 1wkt s VAL 34 Cb 0.00 -4.75 0.28 0.00 0.00 0.00 0.00 36.38 31.91 1wkt s VAL 34 CO 0.00 -1.55 1.10 0.00 0.00 0.00 0.00 175.10 174.65 1wkt n HIS 35 N 7.94 0.00 -3.56 5.22 1.44 -1.23 -4.35 115.22 120.68 1wkt n HIS 35 Ca 0.01 -0.46 -0.18 0.00 -2.01 0.00 0.00 57.72 55.08 1wkt n HIS 35 Cb 0.47 0.05 -0.14 0.00 0.12 0.00 0.00 29.99 30.48 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 0.00 -0.25 0.10 -1.40 0.52 -1.21 -0.47 118.94 116.23 1wkt s TRP 36 Ca 0.22 0.39 -0.21 0.00 0.02 0.00 0.00 56.10 56.52 1wkt s TRP 36 Cb 0.25 -0.31 -0.07 0.00 -1.15 0.00 0.00 33.47 32.19 1wkt s TRP 36 CO -0.11 -0.49 0.64 1.41 0.02 0.00 0.00 176.95 178.42 1wkt s MET 37 N 2.32 4.32 -0.33 4.98 1.75 -0.00 0.09 119.30 132.43 1wkt s MET 37 Ca 0.05 0.87 -0.02 0.00 -1.25 0.00 0.00 55.69 55.35 1wkt s MET 37 Cb -0.14 -3.24 0.12 0.00 2.84 0.00 0.00 34.83 34.40 1wkt s MET 37 CO -0.10 0.62 0.16 0.08 -0.65 0.00 0.00 175.02 175.13 1wkt s VAL 38 N -1.13 0.30 0.20 10.11 1.01 -0.33 -0.25 120.40 130.32 1wkt s VAL 38 Ca 0.31 -1.36 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1wkt s VAL 38 Cb -0.21 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 1wkt s VAL 38 CO 0.21 -0.82 0.46 0.42 0.00 0.00 0.00 175.10 175.37 1wkt s THR 39 N 1.51 5.09 0.03 3.92 -4.23 -0.96 -4.27 115.64 116.72 1wkt s THR 39 Ca 0.13 0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.79 1wkt s THR 39 Cb -0.19 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 69.96 1wkt s THR 39 CO -0.19 -0.10 -0.21 -0.83 -0.54 0.00 0.00 174.62 172.75 1wkt s GLY 40 N -2.69 1.12 0.00 3.99 0.00 -0.36 -1.31 107.32 108.07 1wkt s GLY 40 Ca 0.43 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1wkt s GLY 40 CO 0.26 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 173.02 1wkt n GLY 41 N 2.00 0.00 2.40 0.20 0.00 -1.26 -1.06 105.19 107.48 1wkt n GLY 41 Ca -0.17 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.75 -4.54 -2.56 1.61 7.64 -1.26 0.67 113.62 114.43 1wkt n SER 42 Ca 0.00 0.19 -0.10 0.00 1.01 0.00 0.00 58.87 59.97 1wkt n SER 42 Cb 0.00 -0.61 -0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1wkt n SER 42 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wkt n THR 43 N -1.87 -0.44 -3.47 0.44 5.66 -1.26 -0.91 114.28 112.42 1wkt n THR 43 Ca -0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 1wkt n THR 43 Cb 0.43 -1.22 0.06 0.00 -1.55 0.00 0.00 70.33 68.05 1wkt n THR 43 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1wkt n ASP 44 N -1.76 -6.06 -0.27 1.09 2.03 -0.70 -4.70 116.55 106.17 1wkt n ASP 44 Ca -0.09 -0.49 0.07 0.00 0.52 0.00 0.00 54.79 54.80 1wkt n ASP 44 Cb 0.57 -4.82 0.18 0.00 -0.72 0.00 0.00 41.12 36.34 1wkt n ASP 44 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1wkt h GLY 45 N -2.22 0.93 -0.80 0.27 0.00 0.11 -3.49 103.07 97.87 1wkt h GLY 45 Ca -0.56 0.11 0.10 0.00 0.00 0.00 0.00 47.33 46.98 1wkt h GLY 45 CO 0.58 -0.32 -0.13 0.28 0.00 0.00 0.00 176.54 176.94 1wkt n LYS 46 N -5.36 -0.73 -1.23 4.80 5.02 -1.02 -4.70 118.16 114.94 1wkt n LYS 46 Ca 0.15 0.48 -0.36 0.00 -2.02 0.00 0.00 58.31 56.57 1wkt n LYS 46 Cb 0.53 -0.89 0.08 0.00 -0.02 0.00 0.00 35.03 34.73 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 -1.93 0.29 -4.84 1.97 10.64 -1.26 -4.02 117.38 118.23 1wkt n GLN 47 Ca 0.00 0.14 -0.25 0.00 -1.83 0.00 0.00 57.00 55.06 1wkt n GLN 47 Cb 0.16 -1.94 -0.15 0.00 -0.86 0.00 0.00 30.24 27.46 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 -1.58 0.93 0.14 2.61 0.00 -0.29 -4.91 107.32 104.22 1wkt s GLY 48 Ca 0.67 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 44.60 1wkt s GLY 48 CO 0.57 -0.71 -0.11 0.00 0.00 0.00 0.00 173.10 172.84 1wkt s ALA 50 N -2.89 -0.44 -0.19 0.00 0.00 0.10 -0.78 121.76 117.56 1wkt s ALA 50 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 1wkt s ALA 50 Cb -0.00 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1wkt s ALA 50 CO 0.02 -0.36 0.13 0.99 0.00 0.00 0.00 175.76 176.54 1wkt s THR 51 N -2.46 5.43 0.03 0.00 2.01 0.24 -0.57 115.64 120.31 1wkt s THR 51 Ca -0.06 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.20 1wkt s THR 51 Cb -0.01 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 1wkt s THR 51 CO -0.03 0.47 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.58 1wkt s ILE 52 N 0.13 2.99 0.07 1.82 -1.09 0.17 -0.39 121.20 124.90 1wkt s ILE 52 Ca 0.09 -1.07 0.04 0.00 -2.23 0.00 0.00 60.65 57.48 1wkt s ILE 52 Cb -0.11 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 1wkt s ILE 52 CO -0.01 0.36 -0.11 0.26 -1.23 0.00 0.00 174.94 174.21 1wkt s TRP 53 N -0.93 1.03 -0.05 3.97 0.51 -0.01 -1.37 118.94 122.09 1wkt s TRP 53 Ca 0.15 -0.53 0.05 0.00 -2.12 0.00 0.00 56.10 53.65 1wkt s TRP 53 Cb -0.11 -0.58 -0.25 0.00 -0.81 0.00 0.00 33.47 31.73 1wkt s TRP 53 CO 0.06 0.00 0.64 1.49 -0.51 0.00 0.00 176.95 178.63 1wkt h GLU 54 N 4.11 0.11 -6.93 4.98 4.81 -0.69 -3.09 114.58 117.89 1wkt h GLU 54 Ca -0.38 -0.19 -0.52 0.00 -0.13 0.00 0.00 59.36 58.13 1wkt h GLU 54 Cb 1.19 0.07 0.08 0.00 0.63 0.00 0.00 28.75 30.72 1wkt h GLU 54 CO 0.44 0.81 0.62 0.20 -0.73 0.00 0.00 179.01 180.35 1wkt s GLY 55 N -5.20 2.94 0.65 1.92 0.00 0.13 -4.40 107.32 103.37 1wkt s GLY 55 Ca -0.10 1.24 -0.17 0.00 0.00 0.00 0.00 44.72 45.69 1wkt s GLY 55 CO 0.81 1.84 1.22 -0.56 0.00 0.00 0.00 173.10 176.41 1wkt s SER 56 N -0.67 4.72 -1.44 1.64 0.01 -1.26 -3.06 113.70 113.65 1wkt s SER 56 Ca 0.54 2.41 -0.09 0.00 1.31 0.00 0.00 55.95 60.12 1wkt s SER 56 Cb -0.38 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.28 1wkt s SER 56 CO 0.50 -1.91 0.99 0.61 0.41 0.00 0.00 173.24 173.85 1wkt n GLY 57 N 0.49 -0.53 4.08 3.44 0.00 -1.26 -3.85 105.19 107.57 1wkt n GLY 57 Ca 0.14 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.08 1.08 0.00 0.00 -7.23 -1.25 -5.00 120.40 103.92 1wkt s VAL 59 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1wkt s VAL 59 Cb -0.02 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1wkt s VAL 59 CO 0.93 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.33 1wkt n GLY 60 N -1.07 -0.42 3.83 2.32 0.00 -1.26 -0.69 105.19 107.89 1wkt n GLY 60 Ca -0.12 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 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 4.17 0.29 1.61 3.52 -1.26 -4.83 118.95 122.45 1wkt s ARG 61 Ca 0.00 1.07 -0.05 0.00 -0.13 0.00 0.00 55.73 56.62 1wkt s ARG 61 Cb 0.00 -2.18 -0.01 0.00 -1.56 0.00 0.00 34.95 31.20 1wkt s ARG 61 CO 0.00 -0.07 0.41 -1.54 -0.81 0.00 0.00 175.30 173.29 1wkt s SER 62 N -2.35 0.50 0.22 -2.12 1.04 -1.26 -0.15 113.70 109.58 1wkt s SER 62 Ca 0.61 -1.31 -0.00 0.00 0.48 0.00 0.00 55.95 55.73 1wkt s SER 62 Cb -0.09 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1wkt s SER 62 CO 0.17 -1.17 0.29 1.07 0.98 0.00 0.00 173.24 174.59 1wkt n THR 63 N -0.46 0.00 -4.25 2.02 5.66 -0.47 -4.98 114.28 111.79 1wkt n THR 63 Ca 0.01 -1.21 -0.19 0.00 -3.05 0.00 0.00 64.05 59.61 1wkt n THR 63 Cb 0.62 0.72 -0.16 0.00 -1.55 0.00 0.00 70.33 69.96 1wkt n THR 63 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1wkt s THR 64 N -2.71 0.60 0.03 1.09 -1.32 -1.26 -0.66 115.64 111.42 1wkt s THR 64 Ca 0.20 -0.23 0.07 0.00 -1.21 0.00 0.00 61.69 60.52 1wkt s THR 64 Cb -0.00 -0.57 -0.02 0.00 -1.51 0.00 0.00 72.50 70.39 1wkt s THR 64 CO 0.14 0.21 -0.21 -0.32 -2.21 0.00 0.00 174.62 172.23 1wkt s MET 65 N 0.45 1.46 0.14 7.08 1.75 0.27 -4.97 119.30 125.47 1wkt s MET 65 Ca -0.06 -0.92 0.09 0.00 -1.25 0.00 0.00 55.69 53.55 1wkt s MET 65 Cb -0.10 -1.55 -0.04 0.00 2.84 0.00 0.00 34.83 35.98 1wkt s MET 65 CO 0.00 0.40 -0.16 0.00 -0.65 0.00 0.00 175.02 174.62 1wkt s PRO 68 N 1.99 -0.20 1.04 0.00 0.02 -1.26 -1.14 135.00 135.45 1wkt s PRO 68 Ca 0.01 1.18 -0.16 0.00 0.02 0.00 0.00 61.00 62.05 1wkt s PRO 68 Cb -0.12 -1.61 0.21 0.00 0.02 0.00 0.00 34.50 33.00 1wkt s PRO 68 CO -0.05 -3.34 1.17 0.00 -0.33 0.00 0.00 177.00 174.45 1wkt s ALA 69 N -2.51 1.42 -1.54 -1.55 0.00 -1.26 -4.11 121.76 112.22 1wkt s ALA 69 Ca 0.68 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 1wkt s ALA 69 Cb -0.25 -2.92 0.06 0.00 0.00 0.00 0.00 23.12 20.02 1wkt s ALA 69 CO 0.62 -2.83 0.54 0.27 0.00 0.00 0.00 175.76 174.36 1wkt n ASN 70 N -4.15 -1.48 -3.83 0.00 0.23 -0.43 -4.92 115.26 100.68 1wkt n ASN 70 Ca 0.11 -1.02 -0.12 0.00 -0.53 0.00 0.00 54.58 53.01 1wkt n ASN 70 Cb 0.59 -2.84 -0.13 0.00 -2.08 0.00 0.00 39.78 35.32 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 -3.72 -0.00 -0.35 5.53 2.01 -1.26 -5.04 115.64 112.82 1wkt s THR 71 Ca 0.31 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 1wkt s THR 71 Cb -0.17 -0.17 -0.00 0.00 0.01 0.00 0.00 72.50 72.18 1wkt s THR 71 CO 0.91 0.00 0.22 0.00 -0.69 0.00 0.00 174.62 175.06 1wkt s ASN 74 N 1.59 6.55 -0.92 0.00 3.84 -1.26 -0.82 114.94 123.91 1wkt s ASN 74 Ca 0.07 0.25 -0.24 0.00 0.21 0.00 0.00 52.86 53.14 1wkt s ASN 74 Cb -0.15 -2.46 0.05 0.00 -0.55 0.00 0.00 41.25 38.14 1wkt s ASN 74 CO 0.08 -1.00 1.38 -0.63 -2.79 0.00 0.00 177.10 174.13 1wkt s ILE 75 N 3.69 3.89 -0.48 -5.21 1.09 0.38 -4.76 121.20 119.79 1wkt s ILE 75 Ca 0.37 -0.40 0.05 0.00 -1.10 0.00 0.00 60.65 59.57 1wkt s ILE 75 Cb -0.11 -5.00 0.22 0.00 -1.06 0.00 0.00 42.46 36.51 1wkt s ILE 75 CO 0.24 -1.89 0.85 -3.20 -0.10 0.00 0.00 174.94 170.84 1wkt n ASN 76 N 8.95 -2.97 0.00 3.58 5.15 -1.26 -4.74 115.26 123.97 1wkt n ASN 76 Ca 0.22 -2.87 0.11 0.00 -0.60 0.00 0.00 54.58 51.44 1wkt n ASN 76 Cb 0.50 1.66 0.53 0.00 -0.53 0.00 0.00 39.78 41.94 1wkt n ASN 76 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1wkt n THR 77 N 2.31 0.36 0.00 -0.44 -1.04 -1.26 -4.82 114.28 109.39 1wkt n THR 77 Ca 0.13 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1wkt n THR 77 Cb 0.60 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 1wkt n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wkt n GLY 78 N 0.60 3.46 3.84 3.41 0.00 -1.26 -5.10 105.19 110.13 1wkt n GLY 78 Ca 0.09 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 3.38 0.09 1.61 -0.12 -1.26 -5.04 117.98 116.65 1wkt s PHE 79 Ca 0.00 1.43 -0.30 0.00 -0.05 0.00 0.00 56.93 58.01 1wkt s PHE 79 Cb 0.00 -2.82 -0.05 0.00 -0.63 0.00 0.00 43.02 39.51 1wkt s PHE 79 CO 0.00 -0.67 1.00 -0.47 -0.05 0.00 0.00 175.22 175.04 1wkt s TYR 80 N -2.77 3.72 -0.00 3.49 6.14 -1.26 -4.85 117.35 121.82 1wkt s TYR 80 Ca 0.59 1.72 -0.07 0.00 0.64 0.00 0.00 57.07 59.94 1wkt s TYR 80 Cb -0.12 -3.13 -0.05 0.00 0.42 0.00 0.00 41.96 39.09 1wkt s TYR 80 CO 0.40 -0.06 0.27 0.96 0.64 0.00 0.00 175.55 177.76 1wkt s ILE 81 N 0.24 5.30 0.00 3.14 -0.00 -1.26 -4.75 121.20 123.86 1wkt s ILE 81 Ca 0.49 0.23 0.00 0.00 -0.00 0.00 0.00 60.65 61.37 1wkt s ILE 81 Cb -0.24 -3.56 0.00 0.00 -0.00 0.00 0.00 42.46 38.66 1wkt s ILE 81 CO 0.30 0.41 0.00 0.54 -0.00 0.00 0.00 174.94 176.19 1wkt n ARG 82 N 1.26 2.39 -3.97 0.37 3.00 -1.20 -4.61 116.66 113.90 1wkt n ARG 82 Ca -0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.62 1wkt n ARG 82 Cb 0.53 -0.85 -0.07 0.00 0.00 0.00 0.00 32.46 32.07 1wkt n ARG 82 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1wkt s SER 83 N -1.97 0.06 0.39 0.55 0.01 -1.17 0.15 113.70 111.72 1wkt s SER 83 Ca 0.00 -0.89 -0.13 0.00 1.31 0.00 0.00 55.95 56.24 1wkt s SER 83 Cb 0.00 0.42 0.05 0.00 0.21 0.00 0.00 66.02 66.70 1wkt s SER 83 CO 0.00 -0.87 0.75 -0.72 0.41 0.00 0.00 173.24 172.81 1wkt s TYR 84 N -3.97 0.28 -0.15 2.43 1.13 0.01 -0.83 117.35 116.26 1wkt s TYR 84 Ca 0.17 -0.91 -0.06 0.00 -1.41 0.00 0.00 57.07 54.86 1wkt s TYR 84 Cb 0.04 0.72 0.07 0.00 -1.10 0.00 0.00 41.96 41.69 1wkt s TYR 84 CO -0.00 -1.54 0.32 0.50 -2.51 0.00 0.00 175.55 172.31 1wkt s ARG 85 N -2.28 0.24 0.25 -3.49 3.52 0.47 -0.72 118.95 116.94 1wkt s ARG 85 Ca 0.18 0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 56.25 1wkt s ARG 85 Cb -0.04 0.03 -0.09 0.00 -1.56 0.00 0.00 34.95 33.28 1wkt s ARG 85 CO 0.13 -0.23 1.06 0.50 -0.81 0.00 0.00 175.30 175.95 1wkt s ARG 86 N 2.05 4.68 -0.12 5.12 3.52 -0.25 -0.59 118.95 133.36 1wkt s ARG 86 Ca -0.03 1.72 0.05 0.00 -0.13 0.00 0.00 55.73 57.33 1wkt s ARG 86 Cb -0.11 -3.23 -0.11 0.00 -1.56 0.00 0.00 34.95 29.95 1wkt s ARG 86 CO -0.10 0.25 -0.05 1.33 -0.81 0.00 0.00 175.30 175.92 1wkt n VAL 87 N 1.48 0.75 -0.90 7.11 0.24 0.04 -1.23 118.33 125.82 1wkt n VAL 87 Ca -0.01 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1wkt n VAL 87 Cb 0.46 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1wkt n VAL 87 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85