#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 -6.13 -3.51 1.61 9.92 -0.13 -4.67 116.55 113.64 1wkt n ASP 2 Ca 0.00 -0.40 -0.09 0.00 -0.53 0.00 0.00 54.79 53.77 1wkt n ASP 2 Cb 0.00 -4.41 -0.02 0.00 -0.64 0.00 0.00 41.12 36.05 1wkt n ASP 2 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1wkt s GLY 3 N -3.14 -0.48 0.22 0.44 0.00 -1.18 -4.10 107.32 99.08 1wkt s GLY 3 Ca 0.24 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.64 1wkt s GLY 3 CO 0.61 0.22 0.02 1.58 0.00 0.00 0.00 173.10 175.52 1wkt n TYR 4 N -0.32 0.36 -3.65 1.90 0.18 0.47 -1.80 117.16 114.29 1wkt n TYR 4 Ca -0.11 -1.08 -0.20 0.00 1.88 0.00 0.00 57.90 58.39 1wkt n TYR 4 Cb 0.63 -0.15 -0.17 0.00 -0.38 0.00 0.00 39.34 39.27 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 0.12 0.16 -3.48 0.20 -1.26 -1.66 118.68 112.75 1wkt s LEU 5 Ca 0.01 -0.00 -0.00 0.00 0.69 0.00 0.00 54.13 54.83 1wkt s LEU 5 Cb -0.00 -0.04 -0.04 0.00 -0.43 0.00 0.00 46.19 45.67 1wkt s LEU 5 CO 0.01 -0.27 0.05 0.27 -0.29 0.00 0.00 176.35 176.12 1wkt s ILE 6 N 2.20 0.27 -0.05 6.68 -4.36 -0.52 -4.92 121.20 120.50 1wkt s ILE 6 Ca 0.04 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1wkt s ILE 6 Cb -0.13 -2.16 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 1wkt s ILE 6 CO -0.05 -0.38 0.04 0.00 0.24 0.00 0.00 174.94 174.79 1wkt s MET 7 N -4.03 3.03 0.06 0.37 0.23 -1.26 -1.15 119.30 116.56 1wkt s MET 7 Ca 0.27 -0.43 0.00 0.00 -1.03 0.00 0.00 55.69 54.50 1wkt s MET 7 Cb 0.07 -2.84 -0.04 0.00 -1.53 0.00 0.00 34.83 30.49 1wkt s MET 7 CO 0.04 0.68 -0.04 0.00 -2.03 0.00 0.00 175.02 173.67 1wkt n LYS 9 N 0.27 0.48 -1.79 0.00 5.02 -1.26 -3.39 118.16 117.50 1wkt n LYS 9 Ca -0.15 -0.10 -0.02 0.00 -2.02 0.00 0.00 58.31 56.02 1wkt n LYS 9 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.17 -0.53 -0.36 4.39 0.23 -1.26 -4.64 115.26 111.93 1wkt n ASN 10 Ca 0.13 -1.34 0.11 0.00 -0.53 0.00 0.00 54.58 52.95 1wkt n ASN 10 Cb 0.27 0.87 0.47 0.00 -2.08 0.00 0.00 39.78 39.32 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 -1.64 3.86 0.60 0.00 -1.08 -1.26 -4.91 116.67 112.23 1wkt s ASP 12 Ca 0.32 -1.38 0.30 0.00 -0.52 0.00 0.00 52.55 51.28 1wkt s ASP 12 Cb 0.17 -1.04 1.78 0.00 -1.46 0.00 0.00 42.92 42.37 1wkt s ASP 12 CO 0.26 -0.32 2.18 1.55 0.52 0.00 0.00 175.17 179.36 1wkt h PRO 13 N 8.00 0.00 0.00 4.34 0.13 -1.85 0.44 132.00 143.07 1wkt h PRO 13 Ca -0.14 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 1wkt h PRO 13 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1wkt h PRO 13 CO 0.43 0.00 -0.15 -0.97 -0.23 0.00 0.00 178.00 177.08 1wkt h ASN 14 N 0.00 0.00 0.00 1.44 -1.24 -1.99 -3.21 115.58 110.58 1wkt h ASN 14 Ca 0.04 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.00 1wkt h ASN 14 Cb 0.27 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.20 1wkt h ASN 14 CO -0.00 0.15 -0.64 1.07 -1.29 0.00 0.00 177.43 176.71 1wkt n THR 15 N -4.03 0.12 -4.35 -3.57 5.66 -0.42 -5.00 114.28 102.68 1wkt n THR 15 Ca -0.02 -0.46 -0.33 0.00 -3.05 0.00 0.00 64.05 60.18 1wkt n THR 15 Cb 0.23 0.61 -0.15 0.00 -1.55 0.00 0.00 70.33 69.47 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 -1.42 1.49 -0.86 1.09 0.00 0.14 -4.87 107.32 102.89 1wkt s GLY 16 Ca 0.12 -1.09 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 1wkt s GLY 16 CO -0.05 0.13 1.52 -1.35 0.00 0.00 0.00 173.10 173.35 1wkt s SER 17 N 1.00 6.02 0.20 1.64 1.04 -1.26 -4.63 113.70 117.70 1wkt s SER 17 Ca -0.02 -0.77 -0.08 0.00 0.48 0.00 0.00 55.95 55.56 1wkt s SER 17 Cb -0.15 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.35 1wkt s SER 17 CO -0.03 -1.92 0.49 0.00 0.98 0.00 0.00 173.24 172.76 1wkt s ASP 19 N -2.36 6.24 -0.14 0.00 -4.77 -0.81 -4.95 116.67 109.88 1wkt s ASP 19 Ca 0.45 -1.64 -0.03 0.00 -3.30 0.00 0.00 52.55 48.03 1wkt s ASP 19 Cb -0.12 -2.28 -0.03 0.00 -1.09 0.00 0.00 42.92 39.41 1wkt s ASP 19 CO 0.22 -1.01 2.65 0.79 0.70 0.00 0.00 175.17 178.52 1wkt n TRP 20 N 5.89 0.59 -3.13 2.11 7.02 -1.26 -4.33 117.44 124.33 1wkt n TRP 20 Ca -0.08 -1.51 -0.19 0.00 -1.02 0.00 0.00 57.50 54.70 1wkt n TRP 20 Cb 0.42 -1.09 0.03 0.00 -2.42 0.00 0.00 31.31 28.25 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 -0.35 2.55 0.44 -0.99 -0.14 -1.26 -5.08 119.74 114.90 1wkt s LYS 21 Ca 0.37 -1.49 -0.25 0.00 -1.36 0.00 0.00 55.97 53.25 1wkt s LYS 21 Cb 0.22 -2.63 -0.08 0.00 -1.68 0.00 0.00 37.83 33.65 1wkt s LYS 21 CO -0.04 -0.53 1.30 -1.14 -0.76 0.00 0.00 175.35 174.18 1wkt s GLN 22 N -4.46 3.78 -0.07 1.68 0.74 -1.26 -4.95 119.66 115.12 1wkt s GLN 22 Ca 0.56 2.14 0.08 0.00 0.05 0.00 0.00 55.36 58.19 1wkt s GLN 22 Cb -0.07 -2.61 -0.12 0.00 1.10 0.00 0.00 33.01 31.31 1wkt s GLN 22 CO 0.34 -0.64 0.08 0.09 -0.55 0.00 0.00 175.29 174.61 1wkt n ASN 23 N -0.18 2.82 -4.80 6.67 4.13 -1.26 -4.86 115.26 117.77 1wkt n ASN 23 Ca 0.05 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.94 1wkt n ASN 23 Cb 0.44 0.91 -0.06 0.00 -1.54 0.00 0.00 39.78 39.53 1wkt n ASN 23 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1wkt s TRP 24 N -2.33 3.72 -1.65 3.10 0.52 -1.26 -1.41 118.94 119.62 1wkt s TRP 24 Ca -0.04 1.51 -0.13 0.00 0.02 0.00 0.00 56.10 57.45 1wkt s TRP 24 Cb 0.04 -2.70 0.12 0.00 -1.15 0.00 0.00 33.47 29.77 1wkt s TRP 24 CO 0.37 0.37 0.57 0.09 0.02 0.00 0.00 176.95 178.37 1wkt n ASN 25 N 0.93 -1.82 -3.55 2.95 4.13 -1.26 -4.91 115.26 111.73 1wkt n ASN 25 Ca -0.03 -1.09 -0.15 0.00 1.68 0.00 0.00 54.58 54.99 1wkt n ASN 25 Cb 0.50 -2.45 -0.06 0.00 -1.54 0.00 0.00 39.78 36.23 1wkt n ASN 25 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1wkt s THR 26 N -3.58 0.00 -0.70 3.41 -1.32 -1.26 -5.13 115.64 107.06 1wkt s THR 26 Ca 0.50 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.99 1wkt s THR 26 Cb -0.28 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.89 1wkt s THR 26 CO 0.95 0.00 0.52 0.00 -2.21 0.00 0.00 174.62 173.87 1wkt s VAL 28 N -0.93 4.71 0.45 0.00 1.01 -1.08 -4.64 120.40 119.92 1wkt s VAL 28 Ca 0.22 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 1wkt s VAL 28 Cb -0.13 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1wkt s VAL 28 CO -0.10 -0.48 0.88 -0.83 0.00 0.00 0.00 175.10 174.57 1wkt s GLY 29 N -2.94 2.04 0.36 4.51 0.00 -1.26 -2.40 107.32 107.62 1wkt s GLY 29 Ca 0.53 0.01 0.08 0.00 0.00 0.00 0.00 44.72 45.35 1wkt s GLY 29 CO 0.28 0.25 0.09 -0.42 0.00 0.00 0.00 173.10 173.29 1wkt s ILE 30 N -2.47 2.66 0.00 0.90 1.01 0.11 -4.93 121.20 118.49 1wkt s ILE 30 Ca 0.55 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1wkt s ILE 30 Cb -0.10 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1wkt s ILE 30 CO 0.30 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1wkt n GLY 31 N -1.07 2.94 2.66 6.18 0.00 -1.14 -4.80 105.19 109.95 1wkt n GLY 31 Ca -0.03 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.55 -3.08 -0.78 4.61 0.00 -1.26 -3.74 120.51 115.71 1wkt n ALA 32 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.39 1wkt n ALA 32 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 -0.19 -1.85 -4.27 0.00 3.02 -1.26 -4.94 115.26 105.77 1wkt n ASN 33 Ca 0.09 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.20 1wkt n ASN 33 Cb 0.34 -2.03 -0.06 0.00 -0.61 0.00 0.00 39.78 37.42 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 -1.71 4.86 -0.10 2.41 1.01 -1.25 -4.29 120.40 121.34 1wkt s VAL 34 Ca 0.00 -1.68 0.19 0.00 0.00 0.00 0.00 61.98 60.49 1wkt s VAL 34 Cb 0.00 -4.14 0.36 0.00 0.00 0.00 0.00 36.38 32.60 1wkt s VAL 34 CO 0.00 -0.85 1.16 0.00 0.00 0.00 0.00 175.10 175.41 1wkt n HIS 35 N 5.03 0.09 -3.68 5.22 1.44 -1.25 -2.89 115.22 119.18 1wkt n HIS 35 Ca -0.10 -1.01 -0.15 0.00 -2.01 0.00 0.00 57.72 54.44 1wkt n HIS 35 Cb 0.41 0.13 -0.15 0.00 0.12 0.00 0.00 29.99 30.50 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 -0.89 -0.25 0.12 -1.40 0.52 -1.22 -0.80 118.94 115.02 1wkt s TRP 36 Ca 0.23 0.70 -0.24 0.00 0.02 0.00 0.00 56.10 56.81 1wkt s TRP 36 Cb 0.30 -0.17 -0.07 0.00 -1.15 0.00 0.00 33.47 32.39 1wkt s TRP 36 CO -0.10 -0.28 0.73 1.41 0.02 0.00 0.00 176.95 178.73 1wkt s MET 37 N 2.12 4.47 0.05 4.98 -2.45 -0.07 -0.45 119.30 127.97 1wkt s MET 37 Ca 0.00 1.04 0.03 0.00 -1.25 0.00 0.00 55.69 55.52 1wkt s MET 37 Cb -0.12 -3.28 -0.03 0.00 1.25 0.00 0.00 34.83 32.66 1wkt s MET 37 CO -0.07 0.52 -0.10 0.08 1.05 0.00 0.00 175.02 176.51 1wkt s VAL 38 N -0.90 0.75 0.17 10.11 1.01 -0.30 -0.63 120.40 130.62 1wkt s VAL 38 Ca 0.35 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1wkt s VAL 38 Cb -0.22 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1wkt s VAL 38 CO 0.24 -0.34 0.05 0.35 0.00 0.00 0.00 175.10 175.40 1wkt n THR 39 N 1.35 0.00 -0.91 3.92 -2.24 -0.96 -1.44 114.28 114.00 1wkt n THR 39 Ca -0.22 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 1wkt n THR 39 Cb 0.55 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1wkt n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkt n GLY 40 N 1.26 -0.60 4.27 3.38 0.00 -0.66 -4.03 105.19 108.81 1wkt n GLY 40 Ca -0.03 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.27 0.00 -0.02 0.00 -1.26 -0.40 105.19 103.24 1wkt n GLY 41 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1wkt n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wkt n SER 42 N -2.73 0.00 0.00 1.61 2.88 -1.26 -4.75 113.62 109.37 1wkt n SER 42 Ca -0.28 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1wkt n SER 42 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1wkt n SER 42 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1wkt n THR 43 N 0.00 0.00 -3.69 2.46 5.66 -1.26 -4.33 114.28 113.12 1wkt n THR 43 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1wkt n THR 43 Cb 0.00 -0.47 -0.11 0.00 -1.55 0.00 0.00 70.33 68.21 1wkt n THR 43 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1wkt s ASP 44 N -3.86 -0.54 0.00 1.09 -1.08 -1.26 -0.96 116.67 110.07 1wkt s ASP 44 Ca 0.00 0.94 0.00 0.00 -0.52 0.00 0.00 52.55 52.97 1wkt s ASP 44 Cb 0.00 0.82 0.00 0.00 -1.46 0.00 0.00 42.92 42.28 1wkt s ASP 44 CO 0.00 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.10 1wkt n GLY 45 N 4.29 -0.82 1.10 2.66 0.00 -0.74 -4.41 105.19 107.27 1wkt n GLY 45 Ca -0.23 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1wkt n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wkt n LYS 46 N 0.00 -2.52 -1.42 1.61 2.85 -1.26 -3.07 118.16 114.35 1wkt n LYS 46 Ca 0.00 -0.52 -0.44 0.00 -1.05 0.00 0.00 58.31 56.30 1wkt n LYS 46 Cb 0.00 -0.60 -0.01 0.00 -0.65 0.00 0.00 35.03 33.77 1wkt n LYS 46 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wkt n GLN 47 N -3.04 0.38 -3.85 -1.58 10.64 -1.26 -4.44 117.38 114.23 1wkt n GLN 47 Ca 0.05 0.14 -0.10 0.00 -1.83 0.00 0.00 57.00 55.26 1wkt n GLN 47 Cb 0.20 -1.29 -0.08 0.00 -0.86 0.00 0.00 30.24 28.21 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 -0.93 0.06 0.06 2.61 0.00 -0.09 -4.85 107.32 104.19 1wkt s GLY 48 Ca 0.62 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.89 1wkt s GLY 48 CO 0.59 -0.64 -0.06 0.00 0.00 0.00 0.00 173.10 172.98 1wkt s ALA 50 N -2.45 0.97 -0.31 0.00 0.00 0.26 -0.56 121.76 119.67 1wkt s ALA 50 Ca -0.01 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 1wkt s ALA 50 Cb -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1wkt s ALA 50 CO -0.03 0.22 0.92 0.99 0.00 0.00 0.00 175.76 177.86 1wkt s THR 51 N -0.43 4.67 0.08 0.00 2.01 -0.33 -0.35 115.64 121.29 1wkt s THR 51 Ca 0.03 1.45 -0.09 0.00 0.31 0.00 0.00 61.69 63.39 1wkt s THR 51 Cb -0.05 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.13 1wkt s THR 51 CO -0.00 -0.34 0.39 -0.63 -0.69 0.00 0.00 174.62 173.35 1wkt s ILE 52 N 3.25 5.11 0.11 1.82 1.01 0.00 -1.23 121.20 131.28 1wkt s ILE 52 Ca 0.38 0.40 0.08 0.00 0.00 0.00 0.00 60.65 61.51 1wkt s ILE 52 Cb -0.13 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1wkt s ILE 52 CO 0.13 0.27 -0.19 0.26 0.00 0.00 0.00 174.94 175.42 1wkt s TRP 53 N -1.42 1.68 0.25 3.97 0.51 0.31 -1.21 118.94 123.03 1wkt s TRP 53 Ca 0.33 -0.45 -0.06 0.00 -2.12 0.00 0.00 56.10 53.81 1wkt s TRP 53 Cb -0.14 -0.90 0.30 0.00 -0.81 0.00 0.00 33.47 31.92 1wkt s TRP 53 CO 0.18 0.21 1.89 1.49 -0.51 0.00 0.00 176.95 180.21 1wkt h GLU 54 N 3.87 1.14 -2.77 4.98 4.81 -0.23 -2.43 114.58 123.95 1wkt h GLU 54 Ca -0.44 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 58.80 1wkt h GLU 54 Cb 1.19 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1wkt h GLU 54 CO 0.43 0.75 0.38 0.20 -0.73 0.00 0.00 179.01 180.05 1wkt s GLY 55 N -3.14 0.13 -0.25 1.92 0.00 -0.38 -0.46 107.32 105.13 1wkt s GLY 55 Ca -0.13 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 43.94 1wkt s GLY 55 CO 0.81 0.48 0.38 1.44 0.00 0.00 0.00 173.10 176.21 1wkt n SER 56 N -1.04 -3.41 -2.78 1.64 7.64 -1.26 -0.15 113.62 114.25 1wkt n SER 56 Ca -0.06 -0.08 -0.16 0.00 1.01 0.00 0.00 58.87 59.59 1wkt n SER 56 Cb 0.60 -0.98 0.06 0.00 -1.01 0.00 0.00 64.21 62.88 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 -0.02 -0.15 3.36 0.23 0.00 -1.26 -4.08 105.19 103.27 1wkt n GLY 57 Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.03 0.98 0.00 0.00 -7.23 0.78 -4.98 120.40 106.92 1wkt s VAL 59 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1wkt s VAL 59 Cb -0.01 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1wkt s VAL 59 CO 0.81 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.21 1wkt n GLY 60 N -0.97 -0.72 3.83 2.32 0.00 -1.26 -1.24 105.19 107.15 1wkt n GLY 60 Ca -0.09 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 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 3.45 -0.00 1.61 3.52 -1.26 -4.59 118.95 121.67 1wkt s ARG 61 Ca 0.00 1.01 -0.02 0.00 -0.13 0.00 0.00 55.73 56.59 1wkt s ARG 61 Cb 0.00 -2.06 -0.00 0.00 -1.56 0.00 0.00 34.95 31.33 1wkt s ARG 61 CO 0.00 -0.69 0.04 -1.54 -0.81 0.00 0.00 175.30 172.29 1wkt s SER 62 N -3.30 0.04 0.01 -2.12 1.04 -1.26 0.06 113.70 108.18 1wkt s SER 62 Ca 0.60 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1wkt s SER 62 Cb -0.13 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 1wkt s SER 62 CO 0.42 -0.15 -0.02 0.42 0.98 0.00 0.00 173.24 174.89 1wkt s THR 63 N -0.59 0.09 -0.39 2.02 -4.23 -0.35 -4.99 115.64 107.19 1wkt s THR 63 Ca -0.07 -0.66 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 1wkt s THR 63 Cb -0.04 -0.20 0.02 0.00 1.34 0.00 0.00 72.50 73.62 1wkt s THR 63 CO -0.00 -0.36 0.87 0.28 -0.54 0.00 0.00 174.62 174.87 1wkt s THR 64 N -1.06 4.61 0.12 3.99 -1.32 -1.26 -0.82 115.64 119.90 1wkt s THR 64 Ca -0.11 0.95 -0.23 0.00 -1.21 0.00 0.00 61.69 61.08 1wkt s THR 64 Cb -0.07 -4.32 -0.07 0.00 -1.51 0.00 0.00 72.50 66.52 1wkt s THR 64 CO -0.01 -0.59 0.70 -0.32 -2.21 0.00 0.00 174.62 172.19 1wkt s MET 65 N 3.42 4.43 0.01 7.08 1.75 0.52 -4.96 119.30 131.55 1wkt s MET 65 Ca 0.35 0.99 0.00 0.00 -1.25 0.00 0.00 55.69 55.79 1wkt s MET 65 Cb -0.12 -3.26 -0.01 0.00 2.84 0.00 0.00 34.83 34.28 1wkt s MET 65 CO 0.20 0.57 -0.02 0.00 -0.65 0.00 0.00 175.02 175.12 1wkt n PRO 68 N 4.98 -0.03 -3.01 0.00 -0.02 -1.26 -0.91 135.00 134.75 1wkt n PRO 68 Ca -0.13 0.04 -0.39 0.00 -2.02 0.00 0.00 63.50 60.99 1wkt n PRO 68 Cb 0.51 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.20 3.44 -0.19 3.55 0.00 -1.26 -3.83 121.76 121.27 1wkt s ALA 69 Ca 0.62 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 1wkt s ALA 69 Cb -0.27 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1wkt s ALA 69 CO 0.62 0.24 0.16 0.09 0.00 0.00 0.00 175.76 176.88 1wkt n ASN 70 N 1.92 -2.36 -4.01 0.00 3.02 -1.26 -4.78 115.26 107.79 1wkt n ASN 70 Ca -0.05 -0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.32 1wkt n ASN 70 Cb 0.49 -1.18 -0.06 0.00 -0.61 0.00 0.00 39.78 38.42 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 -3.05 0.01 -0.06 3.41 -1.32 -1.25 -4.95 115.64 108.42 1wkt s THR 71 Ca 0.05 -1.46 0.03 0.00 -1.21 0.00 0.00 61.69 59.09 1wkt s THR 71 Cb -0.02 -2.18 -0.03 0.00 -1.51 0.00 0.00 72.50 68.76 1wkt s THR 71 CO 0.11 -0.04 -0.12 0.00 -2.21 0.00 0.00 174.62 172.36 1wkt s ASN 74 N 2.14 6.76 -0.48 0.00 3.84 -1.26 -0.89 114.94 125.04 1wkt s ASN 74 Ca 0.08 2.42 -0.19 0.00 0.21 0.00 0.00 52.86 55.38 1wkt s ASN 74 Cb -0.16 -2.59 0.05 0.00 -0.55 0.00 0.00 41.25 38.00 1wkt s ASN 74 CO -0.32 -0.70 0.60 -0.63 -2.79 0.00 0.00 177.10 173.27 1wkt s ILE 75 N 1.03 4.89 -0.43 -5.21 1.09 0.02 -4.91 121.20 117.68 1wkt s ILE 75 Ca 0.65 -0.37 0.03 0.00 -1.10 0.00 0.00 60.65 59.86 1wkt s ILE 75 Cb -0.39 -4.25 0.25 0.00 -1.06 0.00 0.00 42.46 37.01 1wkt s ILE 75 CO 0.31 -0.72 1.01 -3.20 -0.10 0.00 0.00 174.94 172.24 1wkt n ASN 76 N 6.11 -2.34 -3.22 3.58 5.15 -1.26 -4.73 115.26 118.55 1wkt n ASN 76 Ca -0.06 -2.67 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 1wkt n ASN 76 Cb 0.46 1.41 0.00 0.00 -0.53 0.00 0.00 39.78 41.12 1wkt n ASN 76 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1wkt n THR 77 N 1.72 0.00 0.30 -0.44 -2.24 -1.26 -4.87 114.28 107.49 1wkt n THR 77 Ca 0.07 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.01 1wkt n THR 77 Cb 0.65 -1.44 0.95 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.02 0.00 -3.34 3.38 0.00 -2.05 -3.41 103.07 97.64 1wkt h GLY 78 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1wkt h GLY 78 CO 0.00 0.00 -0.80 -0.11 0.00 0.00 0.00 176.54 175.63 1wkt s PHE 79 N -4.58 2.41 0.32 5.60 -0.71 -1.26 -5.12 117.98 114.63 1wkt s PHE 79 Ca -0.05 -0.32 -0.28 0.00 -1.04 0.00 0.00 56.93 55.24 1wkt s PHE 79 Cb 0.15 -1.20 -0.09 0.00 -1.21 0.00 0.00 43.02 40.67 1wkt s PHE 79 CO 0.53 0.49 1.10 -0.47 -1.34 0.00 0.00 175.22 175.53 1wkt s TYR 80 N -1.63 3.46 -0.05 3.49 5.04 -1.26 -4.81 117.35 121.59 1wkt s TYR 80 Ca 0.21 1.67 0.06 0.00 -2.44 0.00 0.00 57.07 56.57 1wkt s TYR 80 Cb -0.08 -3.28 -0.01 0.00 0.35 0.00 0.00 41.96 38.94 1wkt s TYR 80 CO 0.11 -0.68 -0.24 0.96 -1.34 0.00 0.00 175.55 174.36 1wkt s ILE 81 N -1.28 1.94 -0.05 3.14 -0.00 -1.26 -4.78 121.20 118.92 1wkt s ILE 81 Ca 0.48 -1.01 0.14 0.00 -0.00 0.00 0.00 60.65 60.26 1wkt s ILE 81 Cb -0.30 -1.64 -0.21 0.00 -0.00 0.00 0.00 42.46 40.31 1wkt s ILE 81 CO 0.39 0.54 0.26 -1.14 -0.00 0.00 0.00 174.94 174.99 1wkt n ARG 82 N 2.88 0.75 -4.27 0.37 0.63 0.39 -4.61 116.66 112.80 1wkt n ARG 82 Ca -0.17 -0.10 -0.15 0.00 -0.92 0.00 0.00 57.85 56.51 1wkt n ARG 82 Cb 0.52 -1.34 -0.10 0.00 0.45 0.00 0.00 32.46 31.99 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 -3.89 0.78 0.24 6.15 0.01 -0.92 0.08 113.70 116.15 1wkt s SER 83 Ca -0.06 -1.41 -0.22 0.00 1.31 0.00 0.00 55.95 55.57 1wkt s SER 83 Cb 0.08 0.29 0.04 0.00 0.21 0.00 0.00 66.02 66.64 1wkt s SER 83 CO 0.59 -0.80 0.69 -0.72 0.41 0.00 0.00 173.24 173.40 1wkt s TYR 84 N -3.91 -0.30 -0.05 2.43 1.13 -1.01 -0.53 117.35 115.11 1wkt s TYR 84 Ca 0.38 -0.08 -0.11 0.00 -1.41 0.00 0.00 57.07 55.85 1wkt s TYR 84 Cb 0.07 0.66 0.02 0.00 -1.10 0.00 0.00 41.96 41.61 1wkt s TYR 84 CO 0.14 -1.11 0.27 0.50 -2.51 0.00 0.00 175.55 172.84 1wkt s ARG 85 N -3.86 0.49 0.52 -3.49 3.00 -0.37 -2.64 118.95 112.61 1wkt s ARG 85 Ca 0.08 0.04 -0.20 0.00 -1.00 0.00 0.00 55.73 54.65 1wkt s ARG 85 Cb -0.04 0.22 -0.07 0.00 0.00 0.00 0.00 34.95 35.06 1wkt s ARG 85 CO 0.01 -0.11 1.10 0.50 0.00 0.00 0.00 175.30 176.80 1wkt s ARG 86 N -0.67 3.50 0.00 5.12 3.52 -0.50 -1.19 118.95 128.73 1wkt s ARG 86 Ca -0.08 1.54 0.00 0.00 -0.13 0.00 0.00 55.73 57.06 1wkt s ARG 86 Cb -0.04 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.30 1wkt s ARG 86 CO 0.02 -0.71 0.02 1.33 -0.81 0.00 0.00 175.30 175.15 1wkt n VAL 87 N -1.17 0.00 -1.95 7.11 0.24 0.27 -4.73 118.33 118.09 1wkt n VAL 87 Ca 0.11 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1wkt n VAL 87 Cb 0.51 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 1wkt n VAL 87 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85