#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 -4.78 1.61 2.03 -1.26 -4.78 116.55 109.37 1wkt n ASP 2 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1wkt n ASP 2 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1wkt n ASP 2 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1wkt s GLY 3 N 0.00 2.65 0.35 0.27 0.00 -1.26 -4.20 107.32 105.13 1wkt s GLY 3 Ca 0.00 0.76 0.04 0.00 0.00 0.00 0.00 44.72 45.52 1wkt s GLY 3 CO 0.00 1.14 0.07 -2.52 0.00 0.00 0.00 173.10 171.79 1wkt s TYR 4 N -1.76 1.93 -0.08 1.90 1.13 0.14 -4.86 117.35 115.76 1wkt s TYR 4 Ca 0.66 -1.02 -0.03 0.00 -1.41 0.00 0.00 57.07 55.27 1wkt s TYR 4 Cb -0.22 -1.28 0.04 0.00 -1.10 0.00 0.00 41.96 39.40 1wkt s TYR 4 CO 0.27 -0.04 0.17 -1.17 -2.51 0.00 0.00 175.55 172.27 1wkt s LEU 5 N -3.53 0.36 0.22 -3.49 0.20 -1.26 -1.24 118.68 109.93 1wkt s LEU 5 Ca 0.33 0.36 -0.02 0.00 0.69 0.00 0.00 54.13 55.49 1wkt s LEU 5 Cb 0.07 0.41 -0.03 0.00 -0.43 0.00 0.00 46.19 46.21 1wkt s LEU 5 CO 0.15 -0.19 0.20 0.27 -0.29 0.00 0.00 176.35 176.49 1wkt s ILE 6 N 1.62 0.00 0.39 6.68 -4.36 -0.78 -4.84 121.20 119.91 1wkt s ILE 6 Ca -0.05 -1.91 0.08 0.00 -0.26 0.00 0.00 60.65 58.51 1wkt s ILE 6 Cb -0.12 -2.46 -0.06 0.00 1.25 0.00 0.00 42.46 41.07 1wkt s ILE 6 CO -0.06 0.00 0.05 0.00 0.24 0.00 0.00 174.94 175.17 1wkt s MET 7 N -4.06 2.05 0.22 0.37 0.23 -1.26 -0.89 119.30 115.96 1wkt s MET 7 Ca 0.37 -1.94 -0.18 0.00 -1.03 0.00 0.00 55.69 52.91 1wkt s MET 7 Cb 0.05 -1.81 0.02 0.00 -1.53 0.00 0.00 34.83 31.57 1wkt s MET 7 CO 0.13 -0.02 0.56 0.00 -2.03 0.00 0.00 175.02 173.66 1wkt h LYS 9 N 2.16 0.00 0.00 0.00 2.10 -1.60 0.13 116.57 119.36 1wkt h LYS 9 Ca -0.27 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.10 1wkt h LYS 9 Cb 1.26 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.52 1wkt h LYS 9 CO 0.34 0.04 -0.26 0.27 -2.00 0.00 0.00 179.45 177.84 1wkt n ASN 10 N -2.87 0.10 -0.51 7.07 0.23 -1.26 -4.46 115.26 113.56 1wkt n ASN 10 Ca 0.01 -2.21 0.11 0.00 -0.53 0.00 0.00 54.58 51.96 1wkt n ASN 10 Cb 0.57 0.81 0.41 0.00 -2.08 0.00 0.00 39.78 39.48 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 3.34 0.63 0.00 2.15 -1.26 -4.91 116.67 115.00 1wkt s ASP 12 Ca 0.33 -1.87 0.23 0.00 0.43 0.00 0.00 52.55 51.67 1wkt s ASP 12 Cb 0.18 -0.50 1.09 0.00 -0.30 0.00 0.00 42.92 43.38 1wkt s ASP 12 CO 0.27 -0.36 1.58 -0.65 -0.17 0.00 0.00 175.17 175.83 1wkt h PRO 13 N 7.57 0.00 -0.68 4.34 0.11 -1.82 0.63 132.00 142.15 1wkt h PRO 13 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1wkt h PRO 13 Cb 0.98 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1wkt h PRO 13 CO 0.37 0.00 0.24 -0.97 -0.21 0.00 0.00 178.00 177.43 1wkt h ASN 14 N 0.00 0.97 -0.29 -2.05 -1.24 -1.98 -2.88 115.58 108.10 1wkt h ASN 14 Ca 0.19 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1wkt h ASN 14 Cb 1.65 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.45 1wkt h ASN 14 CO -0.00 0.90 0.00 1.07 -1.29 0.00 0.00 177.43 178.11 1wkt n THR 15 N -4.35 1.53 -3.93 -3.57 5.66 0.40 -4.94 114.28 105.07 1wkt n THR 15 Ca 0.05 -1.37 -0.35 0.00 -3.05 0.00 0.00 64.05 59.33 1wkt n THR 15 Cb 0.20 0.19 -0.14 0.00 -1.55 0.00 0.00 70.33 69.03 1wkt n THR 15 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wkt s GLY 16 N -1.40 1.65 0.03 1.09 0.00 0.19 -4.88 107.32 104.00 1wkt s GLY 16 Ca 0.30 -1.12 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 1wkt s GLY 16 CO 0.12 0.40 1.67 -0.56 0.00 0.00 0.00 173.10 174.73 1wkt s SER 17 N 1.40 6.62 0.09 1.64 0.01 -1.26 -4.53 113.70 117.67 1wkt s SER 17 Ca 0.05 2.41 0.02 0.00 1.31 0.00 0.00 55.95 59.74 1wkt s SER 17 Cb -0.14 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1wkt s SER 17 CO -0.01 -0.90 -0.07 0.00 0.41 0.00 0.00 173.24 172.67 1wkt s ASP 19 N -2.91 6.52 -0.16 0.00 1.47 0.38 -4.83 116.67 117.14 1wkt s ASP 19 Ca 0.10 -1.91 -0.02 0.00 1.18 0.00 0.00 52.55 51.90 1wkt s ASP 19 Cb 0.04 -2.36 0.04 0.00 -0.34 0.00 0.00 42.92 40.30 1wkt s ASP 19 CO -0.04 -1.04 2.35 0.79 0.68 0.00 0.00 175.17 177.90 1wkt n TRP 20 N 6.26 0.71 -3.42 2.11 7.02 -1.26 -4.23 117.44 124.63 1wkt n TRP 20 Ca 0.13 -1.52 -0.19 0.00 -1.02 0.00 0.00 57.50 54.90 1wkt n TRP 20 Cb 0.47 -0.93 -0.01 0.00 -2.42 0.00 0.00 31.31 28.42 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 -0.67 2.86 0.45 -0.99 3.01 -1.26 -5.09 119.74 118.06 1wkt s LYS 21 Ca 0.28 -1.22 -0.24 0.00 -1.01 0.00 0.00 55.97 53.78 1wkt s LYS 21 Cb 0.18 -2.66 -0.08 0.00 -1.01 0.00 0.00 37.83 34.26 1wkt s LYS 21 CO -0.03 -0.07 1.32 -1.14 0.51 0.00 0.00 175.35 175.95 1wkt s GLN 22 N -4.18 3.69 0.00 1.68 0.74 -1.26 -4.90 119.66 115.42 1wkt s GLN 22 Ca 0.48 2.17 0.00 0.00 0.05 0.00 0.00 55.36 58.06 1wkt s GLN 22 Cb -0.08 -2.57 0.00 0.00 1.10 0.00 0.00 33.01 31.46 1wkt s GLN 22 CO 0.30 -0.73 0.08 0.27 -0.55 0.00 0.00 175.29 174.66 1wkt n ASN 23 N -0.29 0.15 -4.55 6.67 0.23 -1.26 -4.72 115.26 111.48 1wkt n ASN 23 Ca 0.06 -0.54 -0.23 0.00 -0.53 0.00 0.00 54.58 53.34 1wkt n ASN 23 Cb 0.44 0.74 -0.06 0.00 -2.08 0.00 0.00 39.78 38.82 1wkt n ASN 23 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1wkt n TRP 24 N -0.74 1.21 -4.13 -2.53 5.03 -1.26 -0.92 117.44 114.10 1wkt n TRP 24 Ca 0.00 0.05 -0.39 0.00 3.03 0.00 0.00 57.50 60.18 1wkt n TRP 24 Cb 0.00 -2.55 -0.02 0.00 -1.03 0.00 0.00 31.31 27.71 1wkt n TRP 24 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 1wkt n ASN 25 N 17.04 -2.17 -3.75 -0.99 3.02 -1.25 -4.97 115.26 122.20 1wkt n ASN 25 Ca 0.44 -1.26 -0.19 0.00 -0.03 0.00 0.00 54.58 53.54 1wkt n ASN 25 Cb 0.46 -1.85 -0.17 0.00 -0.61 0.00 0.00 39.78 37.61 1wkt n ASN 25 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wkt s THR 26 N -3.85 0.11 -1.12 3.41 -4.23 -1.23 -5.08 115.64 103.64 1wkt s THR 26 Ca 0.29 0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 60.80 1wkt s THR 26 Cb -0.15 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1wkt s THR 26 CO 0.97 0.18 1.76 0.00 -0.54 0.00 0.00 174.62 176.99 1wkt s VAL 28 N 7.35 4.83 0.60 0.00 1.01 -0.73 -4.91 120.40 128.55 1wkt s VAL 28 Ca 0.59 1.70 -0.16 0.00 0.00 0.00 0.00 61.98 64.11 1wkt s VAL 28 Cb -0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1wkt s VAL 28 CO 0.03 -0.05 1.07 -0.83 0.00 0.00 0.00 175.10 175.33 1wkt s GLY 29 N 1.23 2.15 0.01 4.51 0.00 -1.26 -0.83 107.32 113.13 1wkt s GLY 29 Ca 0.38 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.59 1wkt s GLY 29 CO 0.10 0.76 -0.16 -0.42 0.00 0.00 0.00 173.10 173.38 1wkt s ILE 30 N -2.40 1.24 0.00 0.90 1.01 0.11 -4.86 121.20 117.19 1wkt s ILE 30 Ca 0.64 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1wkt s ILE 30 Cb -0.17 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1wkt s ILE 30 CO 0.37 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1wkt n GLY 31 N 2.37 1.09 2.92 6.18 0.00 -1.26 -4.62 105.19 111.88 1wkt n GLY 31 Ca -0.16 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.41 -2.61 -0.80 4.61 0.00 -1.26 -3.24 120.51 116.79 1wkt n ALA 32 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1wkt n ALA 32 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 -1.33 -1.34 -4.51 0.00 3.02 -1.26 -4.94 115.26 104.90 1wkt n ASN 33 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 1wkt n ASN 33 Cb 0.48 -1.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.01 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 -2.08 4.05 -0.13 2.41 1.01 -1.20 -4.17 120.40 120.29 1wkt s VAL 34 Ca 0.00 -0.22 0.19 0.00 0.00 0.00 0.00 61.98 61.95 1wkt s VAL 34 Cb 0.00 -4.85 0.37 0.00 0.00 0.00 0.00 36.38 31.91 1wkt s VAL 34 CO 0.00 -1.70 1.17 0.00 0.00 0.00 0.00 175.10 174.58 1wkt n HIS 35 N 8.46 0.09 -3.74 5.22 1.44 -0.84 -4.47 115.22 121.38 1wkt n HIS 35 Ca 0.07 -1.16 -0.26 0.00 -2.01 0.00 0.00 57.72 54.36 1wkt n HIS 35 Cb 0.48 0.18 -0.17 0.00 0.12 0.00 0.00 29.99 30.60 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 -1.12 0.81 -0.01 -1.40 0.52 0.38 -0.75 118.94 117.37 1wkt s TRP 36 Ca 0.22 -0.54 -0.24 0.00 0.02 0.00 0.00 56.10 55.57 1wkt s TRP 36 Cb 0.31 -0.91 -0.05 0.00 -1.15 0.00 0.00 33.47 31.67 1wkt s TRP 36 CO -0.10 -0.49 0.72 1.41 0.02 0.00 0.00 176.95 178.52 1wkt s MET 37 N 1.93 4.45 -0.06 4.98 1.75 -0.11 0.55 119.30 132.78 1wkt s MET 37 Ca 0.02 0.95 0.02 0.00 -1.25 0.00 0.00 55.69 55.43 1wkt s MET 37 Cb -0.15 -3.40 0.02 0.00 2.84 0.00 0.00 34.83 34.14 1wkt s MET 37 CO -0.07 0.20 -0.11 0.08 -0.65 0.00 0.00 175.02 174.47 1wkt s VAL 38 N 0.31 1.03 -0.08 10.11 1.01 -0.07 -0.39 120.40 132.32 1wkt s VAL 38 Ca 0.37 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1wkt s VAL 38 Cb -0.19 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.27 1wkt s VAL 38 CO 0.20 0.33 0.17 0.28 0.00 0.00 0.00 175.10 176.09 1wkt s THR 39 N 0.76 -0.09 -3.83 3.92 -1.32 -0.59 -1.86 115.64 112.62 1wkt s THR 39 Ca -0.13 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1wkt s THR 39 Cb -0.15 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 1wkt s THR 39 CO 0.02 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 1wkt n GLY 40 N 4.42 0.88 0.00 6.08 0.00 -0.38 -0.10 105.19 116.09 1wkt n GLY 40 Ca -0.22 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 2.47 3.77 -0.02 0.00 -1.26 -0.68 105.19 109.46 1wkt n GLY 41 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1wkt n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wkt s SER 42 N 0.00 5.54 0.05 1.61 1.04 -1.26 -4.77 113.70 115.91 1wkt s SER 42 Ca 0.00 2.26 -0.17 0.00 0.48 0.00 0.00 55.95 58.51 1wkt s SER 42 Cb 0.00 -2.59 -0.19 0.00 0.10 0.00 0.00 66.02 63.34 1wkt s SER 42 CO 0.00 -1.35 1.21 0.74 0.98 0.00 0.00 173.24 174.82 1wkt h THR 43 N 1.10 1.36 -3.34 2.02 2.02 -1.98 -3.36 112.91 110.72 1wkt h THR 43 Ca -0.50 -1.93 -0.77 0.00 0.77 0.00 0.00 66.41 63.98 1wkt h THR 43 Cb 1.27 2.25 -0.25 0.00 -1.74 0.00 0.00 68.15 69.69 1wkt h THR 43 CO 0.56 0.58 -0.08 -0.62 0.37 0.00 0.00 175.52 176.33 1wkt s ASP 44 N -6.80 6.40 -0.01 4.18 -1.08 -1.26 -4.82 116.67 113.27 1wkt s ASP 44 Ca -0.12 -2.11 0.02 0.00 -0.52 0.00 0.00 52.55 49.82 1wkt s ASP 44 Cb 0.06 -2.21 -0.03 0.00 -1.46 0.00 0.00 42.92 39.28 1wkt s ASP 44 CO 0.85 -0.77 0.02 0.61 0.52 0.00 0.00 175.17 176.40 1wkt n GLY 45 N 4.79 -0.10 1.63 2.66 0.00 -1.26 -4.94 105.19 107.97 1wkt n GLY 45 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.92 -4.66 -1.59 1.61 5.02 -1.26 -4.89 118.16 110.47 1wkt n LYS 46 Ca -0.02 3.44 -0.42 0.00 -2.02 0.00 0.00 58.31 59.29 1wkt n LYS 46 Cb 0.41 -3.84 0.01 0.00 -0.02 0.00 0.00 35.03 31.58 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 -0.49 1.27 -3.46 1.97 10.64 -1.26 -4.14 117.38 121.91 1wkt n GLN 47 Ca 0.00 0.45 -0.37 0.00 -1.83 0.00 0.00 57.00 55.25 1wkt n GLN 47 Cb 0.00 -1.96 -0.06 0.00 -0.86 0.00 0.00 30.24 27.35 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 -0.74 2.35 0.09 2.61 0.00 0.25 -4.84 107.32 107.03 1wkt s GLY 48 Ca 0.63 -0.30 0.10 0.00 0.00 0.00 0.00 44.72 45.14 1wkt s GLY 48 CO 0.57 0.44 -0.25 0.00 0.00 0.00 0.00 173.10 173.87 1wkt s ALA 50 N -0.96 -0.54 -0.39 0.00 0.00 -0.24 -0.43 121.76 119.20 1wkt s ALA 50 Ca 0.14 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 1wkt s ALA 50 Cb -0.10 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1wkt s ALA 50 CO 0.05 -0.11 0.65 0.99 0.00 0.00 0.00 175.76 177.33 1wkt s THR 51 N 0.01 4.86 0.03 0.00 2.01 -0.07 0.00 115.64 122.48 1wkt s THR 51 Ca -0.01 0.43 -0.09 0.00 0.31 0.00 0.00 61.69 62.33 1wkt s THR 51 Cb -0.02 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1wkt s THR 51 CO 0.00 -0.42 0.33 -0.63 -0.69 0.00 0.00 174.62 173.21 1wkt s ILE 52 N 2.78 5.19 0.13 1.82 1.01 0.05 -1.42 121.20 130.76 1wkt s ILE 52 Ca 0.24 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.36 1wkt s ILE 52 Cb -0.14 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1wkt s ILE 52 CO 0.17 0.38 -0.20 0.26 0.00 0.00 0.00 174.94 175.55 1wkt s TRP 53 N -1.29 1.80 0.02 3.97 0.51 0.46 -0.93 118.94 123.49 1wkt s TRP 53 Ca 0.28 -0.44 -0.12 0.00 -2.12 0.00 0.00 56.10 53.70 1wkt s TRP 53 Cb -0.14 -0.94 -0.33 0.00 -0.81 0.00 0.00 33.47 31.25 1wkt s TRP 53 CO 0.16 0.27 0.96 1.49 -0.51 0.00 0.00 176.95 179.32 1wkt h GLU 54 N 3.66 0.45 -6.72 4.98 4.22 -0.85 -1.86 114.58 118.46 1wkt h GLU 54 Ca -0.44 -0.78 -0.52 0.00 0.08 0.00 0.00 59.36 57.70 1wkt h GLU 54 Cb 1.19 0.29 0.02 0.00 0.50 0.00 0.00 28.75 30.76 1wkt h GLU 54 CO 0.45 1.37 0.55 0.20 -2.18 0.00 0.00 179.01 179.40 1wkt s GLY 55 N -4.72 2.79 0.03 1.92 0.00 0.26 -4.23 107.32 103.37 1wkt s GLY 55 Ca -0.09 0.98 -0.30 0.00 0.00 0.00 0.00 44.72 45.31 1wkt s GLY 55 CO 0.92 1.79 1.96 -0.56 0.00 0.00 0.00 173.10 177.21 1wkt s SER 56 N -0.16 6.44 0.00 1.64 0.01 -1.26 -2.37 113.70 118.00 1wkt s SER 56 Ca 0.51 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.42 1wkt s SER 56 Cb -0.33 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.37 1wkt s SER 56 CO 0.39 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.59 1wkt n GLY 57 N 4.55 0.64 4.08 3.44 0.00 -1.26 -4.46 105.19 112.18 1wkt n GLY 57 Ca 0.20 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.04 0.93 0.00 0.00 -7.23 -1.24 -5.01 120.40 103.81 1wkt s VAL 59 Ca 0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1wkt s VAL 59 Cb -0.04 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.53 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 -1.01 -1.19 3.76 2.32 0.00 -1.26 -0.58 105.19 107.23 1wkt n GLY 60 Ca -0.10 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 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 2.75 0.14 1.61 3.52 -1.26 -4.74 118.95 120.97 1wkt s ARG 61 Ca 0.00 1.52 -0.03 0.00 -0.13 0.00 0.00 55.73 57.10 1wkt s ARG 61 Cb 0.00 -1.93 -0.03 0.00 -1.56 0.00 0.00 34.95 31.42 1wkt s ARG 61 CO 0.00 -1.31 0.11 -1.54 -0.81 0.00 0.00 175.30 171.74 1wkt s SER 62 N -2.29 0.24 -0.01 -2.12 1.04 -1.26 -0.37 113.70 108.93 1wkt s SER 62 Ca 0.70 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1wkt s SER 62 Cb -0.23 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1wkt s SER 62 CO 0.40 -0.77 -0.03 0.28 0.98 0.00 0.00 173.24 174.09 1wkt s THR 63 N -4.05 0.27 -0.80 2.02 -1.32 -0.11 -4.99 115.64 106.67 1wkt s THR 63 Ca 0.24 -0.13 -0.21 0.00 -1.21 0.00 0.00 61.69 60.39 1wkt s THR 63 Cb 0.07 -0.25 0.10 0.00 -1.51 0.00 0.00 72.50 70.91 1wkt s THR 63 CO 0.03 0.09 1.06 -0.89 -2.21 0.00 0.00 174.62 172.69 1wkt s THR 64 N 0.04 4.49 -0.57 5.08 2.01 -1.26 -0.77 115.64 124.66 1wkt s THR 64 Ca 0.00 -0.95 -0.24 0.00 0.31 0.00 0.00 61.69 60.81 1wkt s THR 64 Cb -0.03 -4.74 0.05 0.00 0.01 0.00 0.00 72.50 67.78 1wkt s THR 64 CO -0.00 -1.50 0.96 -0.32 -0.69 0.00 0.00 174.62 173.06 1wkt s MET 65 N 3.46 3.29 -0.02 4.92 1.75 0.10 -4.88 119.30 127.92 1wkt s MET 65 Ca 0.28 -0.35 -0.15 0.00 -1.25 0.00 0.00 55.69 54.22 1wkt s MET 65 Cb -0.11 -4.08 -0.05 0.00 2.84 0.00 0.00 34.83 33.42 1wkt s MET 65 CO 0.00 -1.56 0.42 0.00 -0.65 0.00 0.00 175.02 173.23 1wkt s PRO 68 N 1.21 0.61 -0.11 0.00 0.04 -1.26 -0.58 135.00 134.90 1wkt s PRO 68 Ca -0.08 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 1wkt s PRO 68 Cb -0.07 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1wkt s PRO 68 CO -0.11 -2.79 1.20 0.00 0.04 0.00 0.00 177.00 175.33 1wkt s ALA 69 N -2.67 3.56 0.00 8.56 0.00 -1.26 -3.57 121.76 126.38 1wkt s ALA 69 Ca 0.66 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1wkt s ALA 69 Cb -0.22 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1wkt s ALA 69 CO 0.59 -0.92 0.00 0.09 0.00 0.00 0.00 175.76 175.52 1wkt n ASN 70 N 5.78 -1.69 -2.32 0.00 3.02 0.86 -4.84 115.26 116.07 1wkt n ASN 70 Ca 0.12 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.59 1wkt n ASN 70 Cb 0.46 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1wkt n ASN 70 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1wkt n THR 71 N -1.15 0.00 -3.98 3.41 5.66 0.08 -4.98 114.28 113.31 1wkt n THR 71 Ca 0.00 -0.91 -0.24 0.00 -3.05 0.00 0.00 64.05 59.85 1wkt n THR 71 Cb 0.42 0.73 -0.17 0.00 -1.55 0.00 0.00 70.33 69.76 1wkt n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wkt s ASN 74 N 1.32 6.25 -0.18 0.00 3.04 -1.26 -0.93 114.94 123.17 1wkt s ASN 74 Ca -0.02 1.86 -0.29 0.00 0.04 0.00 0.00 52.86 54.45 1wkt s ASN 74 Cb -0.18 -2.53 -0.01 0.00 -1.54 0.00 0.00 41.25 37.00 1wkt s ASN 74 CO -0.02 -1.33 1.17 -0.63 -3.04 0.00 0.00 177.10 173.24 1wkt s ILE 75 N 5.56 4.45 -0.43 -5.21 1.09 0.07 -4.90 121.20 121.82 1wkt s ILE 75 Ca 0.79 1.75 0.08 0.00 -1.10 0.00 0.00 60.65 62.16 1wkt s ILE 75 Cb -0.29 -4.13 0.27 0.00 -1.06 0.00 0.00 42.46 37.25 1wkt s ILE 75 CO 0.32 -0.14 0.78 -3.20 -0.10 0.00 0.00 174.94 172.61 1wkt n ASN 76 N 6.33 -1.26 -4.85 3.58 5.15 -1.26 -4.75 115.26 118.20 1wkt n ASN 76 Ca 0.13 -3.13 -0.31 0.00 -0.60 0.00 0.00 54.58 50.68 1wkt n ASN 76 Cb 0.46 0.68 0.04 0.00 -0.53 0.00 0.00 39.78 40.42 1wkt n ASN 76 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wkt s THR 77 N -0.45 4.08 0.53 -0.44 -4.23 -1.26 -4.94 115.64 108.93 1wkt s THR 77 Ca 0.33 0.68 0.28 0.00 -1.18 0.00 0.00 61.69 61.79 1wkt s THR 77 Cb 0.24 -3.58 0.44 0.00 1.34 0.00 0.00 72.50 70.94 1wkt s THR 77 CO -0.15 -0.88 1.94 1.23 -0.54 0.00 0.00 174.62 176.22 1wkt h GLY 78 N -0.58 0.03 -2.66 3.99 0.00 -2.01 -3.41 103.07 98.43 1wkt h GLY 78 Ca -0.44 -0.01 -0.54 0.00 0.00 0.00 0.00 47.33 46.33 1wkt h GLY 78 CO 0.61 0.00 -0.61 -0.11 0.00 0.00 0.00 176.54 176.42 1wkt s PHE 79 N -5.01 2.81 0.28 5.60 -0.12 -1.26 -5.11 117.98 115.16 1wkt s PHE 79 Ca -0.05 -0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 56.34 1wkt s PHE 79 Cb 0.21 -1.25 -0.09 0.00 -0.63 0.00 0.00 43.02 41.25 1wkt s PHE 79 CO 0.75 0.59 1.16 -0.47 -0.05 0.00 0.00 175.22 177.20 1wkt s TYR 80 N -2.26 3.45 -0.05 3.49 5.04 -1.26 -4.98 117.35 120.78 1wkt s TYR 80 Ca 0.32 1.60 -0.19 0.00 -2.44 0.00 0.00 57.07 56.36 1wkt s TYR 80 Cb -0.07 -3.39 -0.05 0.00 0.35 0.00 0.00 41.96 38.81 1wkt s TYR 80 CO 0.21 -0.91 0.54 0.96 -1.34 0.00 0.00 175.55 175.00 1wkt s ILE 81 N -0.99 5.02 0.00 3.14 -0.00 -1.26 -4.51 121.20 122.60 1wkt s ILE 81 Ca 0.47 1.10 0.00 0.00 -0.00 0.00 0.00 60.65 62.22 1wkt s ILE 81 Cb -0.34 -3.87 0.00 0.00 -0.00 0.00 0.00 42.46 38.25 1wkt s ILE 81 CO 0.43 0.40 0.00 0.54 -0.00 0.00 0.00 174.94 176.31 1wkt n ARG 82 N 2.98 0.00 -4.13 0.37 3.00 -0.76 -4.70 116.66 113.43 1wkt n ARG 82 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.66 1wkt n ARG 82 Cb 0.51 -0.88 -0.09 0.00 0.00 0.00 0.00 32.46 32.00 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 -3.99 0.19 0.15 0.55 0.01 -0.87 0.07 113.70 109.81 1wkt s SER 83 Ca 0.00 -1.20 -0.17 0.00 1.31 0.00 0.00 55.95 55.89 1wkt s SER 83 Cb 0.00 0.37 0.04 0.00 0.21 0.00 0.00 66.02 66.63 1wkt s SER 83 CO 0.00 -0.82 0.46 -0.72 0.41 0.00 0.00 173.24 172.57 1wkt s TYR 84 N -4.07 -0.21 0.02 2.43 1.13 -0.01 -0.40 117.35 116.23 1wkt s TYR 84 Ca 0.28 -0.10 0.01 0.00 -1.41 0.00 0.00 57.07 55.85 1wkt s TYR 84 Cb 0.06 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 1wkt s TYR 84 CO 0.06 -0.78 -0.04 1.03 -2.51 0.00 0.00 175.55 173.31 1wkt s ARG 85 N -3.82 0.31 0.53 -3.49 0.52 -0.51 -1.76 118.95 110.72 1wkt s ARG 85 Ca 0.05 -0.41 -0.17 0.00 -0.52 0.00 0.00 55.73 54.67 1wkt s ARG 85 Cb 0.01 -0.11 -0.07 0.00 0.52 0.00 0.00 34.95 35.30 1wkt s ARG 85 CO -0.09 0.02 1.02 -0.98 0.02 0.00 0.00 175.30 175.28 1wkt s ARG 86 N -0.87 3.70 -0.01 3.54 1.70 -0.10 -0.89 118.95 126.02 1wkt s ARG 86 Ca -0.07 1.13 0.05 0.00 -0.47 0.00 0.00 55.73 56.37 1wkt s ARG 86 Cb -0.06 -2.09 -0.07 0.00 -0.57 0.00 0.00 34.95 32.15 1wkt s ARG 86 CO -0.00 -0.49 0.13 1.33 -1.08 0.00 0.00 175.30 175.19 1wkt n VAL 87 N -1.59 0.00 -1.50 4.99 0.24 0.42 -3.76 118.33 117.13 1wkt n VAL 87 Ca 0.08 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1wkt n VAL 87 Cb 0.53 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1wkt n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90