#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 0.00 1.61 5.75 -1.25 -4.79 116.55 117.88 1wkt n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1wkt n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1wkt n ASP 2 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wkt n GLY 3 N 0.00 2.21 3.63 6.12 0.00 0.07 -4.70 105.19 112.51 1wkt n GLY 3 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.24 2.25 -0.48 1.61 -0.85 -1.26 -3.92 117.35 112.46 1wkt s TYR 4 Ca 0.00 -0.81 0.07 0.00 -0.52 0.00 0.00 57.07 55.81 1wkt s TYR 4 Cb 0.00 -1.64 0.18 0.00 0.38 0.00 0.00 41.96 40.88 1wkt s TYR 4 CO 0.00 0.30 0.64 -1.17 -1.52 0.00 0.00 175.55 173.80 1wkt s LEU 5 N -3.72 -1.00 0.51 -3.49 0.20 -1.26 -0.54 118.68 109.38 1wkt s LEU 5 Ca 0.27 -1.75 0.06 0.00 0.69 0.00 0.00 54.13 53.41 1wkt s LEU 5 Cb 0.07 1.52 0.02 0.00 -0.43 0.00 0.00 46.19 47.38 1wkt s LEU 5 CO 0.14 -0.10 0.41 0.27 -0.29 0.00 0.00 176.35 176.78 1wkt s ILE 6 N 0.96 1.97 0.36 6.68 -4.36 -1.04 -4.89 121.20 120.87 1wkt s ILE 6 Ca 0.27 -1.43 0.05 0.00 -0.26 0.00 0.00 60.65 59.29 1wkt s ILE 6 Cb -0.01 -2.40 -0.07 0.00 1.25 0.00 0.00 42.46 41.23 1wkt s ILE 6 CO -0.07 0.00 0.03 0.00 0.24 0.00 0.00 174.94 175.14 1wkt s MET 7 N -4.25 1.78 0.18 0.37 0.23 -1.26 -1.09 119.30 115.26 1wkt s MET 7 Ca 0.40 -1.99 -0.18 0.00 -1.03 0.00 0.00 55.69 52.90 1wkt s MET 7 Cb -0.02 -1.23 0.03 0.00 -1.53 0.00 0.00 34.83 32.08 1wkt s MET 7 CO 0.24 -0.11 0.50 0.00 -2.03 0.00 0.00 175.02 173.63 1wkt h LYS 9 N 2.22 0.00 -5.20 0.00 2.10 -1.70 0.26 116.57 114.25 1wkt h LYS 9 Ca -0.30 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.69 1wkt h LYS 9 Cb 1.26 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.46 1wkt h LYS 9 CO 0.39 0.76 -0.52 0.54 -2.00 0.00 0.00 179.45 178.62 1wkt s ASN 10 N -6.46 3.94 0.00 7.07 2.20 -1.26 -4.44 114.94 115.98 1wkt s ASN 10 Ca -0.00 -1.65 0.17 0.00 -0.94 0.00 0.00 52.86 50.45 1wkt s ASN 10 Cb 0.09 0.48 1.03 0.00 -2.00 0.00 0.00 41.25 40.85 1wkt s ASN 10 CO 0.81 -0.85 1.54 0.00 -2.94 0.00 0.00 177.10 175.67 1wkt s ASP 12 N -1.72 3.96 0.13 0.00 -1.08 -1.26 -4.82 116.67 111.89 1wkt s ASP 12 Ca 0.26 -2.07 0.18 0.00 -0.52 0.00 0.00 52.55 50.40 1wkt s ASP 12 Cb 0.12 -1.01 0.78 0.00 -1.46 0.00 0.00 42.92 41.35 1wkt s ASP 12 CO 0.20 -0.35 1.56 -0.81 0.52 0.00 0.00 175.17 176.29 1wkt n PRO 13 N 4.28 0.10 0.00 4.34 -0.04 -1.26 -0.39 135.00 142.03 1wkt n PRO 13 Ca 0.03 0.36 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1wkt n PRO 13 Cb 0.39 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1wkt n PRO 13 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1wkt h ASN 14 N 0.00 -0.04 -0.29 3.54 -1.24 -1.98 -3.37 115.58 112.19 1wkt h ASN 14 Ca 0.00 -0.48 -0.06 0.00 0.71 0.00 0.00 56.30 56.47 1wkt h ASN 14 Cb 0.28 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 1wkt h ASN 14 CO 0.00 0.47 -0.01 0.35 -1.29 0.00 0.00 177.43 176.95 1wkt n THR 15 N -4.87 2.36 -4.27 -3.57 -2.24 -0.76 -4.93 114.28 96.00 1wkt n THR 15 Ca -0.09 -2.13 -0.18 0.00 -2.27 0.00 0.00 64.05 59.38 1wkt n THR 15 Cb 0.26 -0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.06 1wkt n THR 15 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wkt s GLY 16 N -2.13 0.40 0.16 3.38 0.00 0.48 -4.97 107.32 104.65 1wkt s GLY 16 Ca 0.43 -0.26 -0.32 0.00 0.00 0.00 0.00 44.72 44.57 1wkt s GLY 16 CO 0.06 -0.09 1.58 -0.56 0.00 0.00 0.00 173.10 174.09 1wkt s SER 17 N 0.11 6.58 0.05 1.64 0.01 -1.26 -4.65 113.70 116.17 1wkt s SER 17 Ca -0.01 2.62 0.02 0.00 1.31 0.00 0.00 55.95 59.89 1wkt s SER 17 Cb -0.06 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1wkt s SER 17 CO -0.00 -0.83 -0.08 0.00 0.41 0.00 0.00 173.24 172.74 1wkt s ASP 19 N -1.74 6.36 -1.25 0.00 -4.77 0.53 -4.88 116.67 110.91 1wkt s ASP 19 Ca -0.07 -1.30 -0.08 0.00 -3.30 0.00 0.00 52.55 47.79 1wkt s ASP 19 Cb -0.08 -2.46 -0.05 0.00 -1.09 0.00 0.00 42.92 39.25 1wkt s ASP 19 CO -0.00 -1.39 2.88 0.79 0.70 0.00 0.00 175.17 178.15 1wkt n TRP 20 N 7.77 2.09 -4.41 2.11 7.02 -1.26 -4.00 117.44 126.77 1wkt n TRP 20 Ca 0.11 -2.73 -0.21 0.00 -1.02 0.00 0.00 57.50 53.65 1wkt n TRP 20 Cb 0.48 -2.12 -0.10 0.00 -2.42 0.00 0.00 31.31 27.14 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 0.84 1.49 0.51 -0.99 2.47 -1.26 -5.13 119.74 117.68 1wkt s LYS 21 Ca 0.64 -1.70 -0.22 0.00 -1.56 0.00 0.00 55.97 53.14 1wkt s LYS 21 Cb 0.21 -1.32 -0.06 0.00 -1.46 0.00 0.00 37.83 35.20 1wkt s LYS 21 CO -0.07 0.19 1.28 -1.14 0.16 0.00 0.00 175.35 175.77 1wkt s GLN 22 N -3.63 3.37 0.00 4.03 0.74 -1.26 -4.91 119.66 118.01 1wkt s GLN 22 Ca 0.26 2.06 0.00 0.00 0.05 0.00 0.00 55.36 57.73 1wkt s GLN 22 Cb -0.01 -2.31 0.00 0.00 1.10 0.00 0.00 33.01 31.79 1wkt s GLN 22 CO 0.10 -0.95 0.27 0.27 -0.55 0.00 0.00 175.29 174.44 1wkt n ASN 23 N -0.83 0.00 -4.65 6.67 0.23 -1.26 -4.98 115.26 110.44 1wkt n ASN 23 Ca 0.09 -1.00 -0.41 0.00 -0.53 0.00 0.00 54.58 52.74 1wkt n ASN 23 Cb 0.46 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.11 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 3.34 -1.47 -2.53 -0.11 -1.26 -0.88 118.94 116.03 1wkt s TRP 24 Ca 0.00 0.95 -0.11 0.00 1.22 0.00 0.00 56.10 58.16 1wkt s TRP 24 Cb 0.00 -2.87 0.06 0.00 -1.50 0.00 0.00 33.47 29.16 1wkt s TRP 24 CO 0.00 -0.26 0.82 0.09 -4.62 0.00 0.00 176.95 172.98 1wkt n ASN 25 N 5.42 -5.03 -4.05 5.86 4.13 -1.25 -4.85 115.26 115.49 1wkt n ASN 25 Ca 0.00 -0.56 -0.14 0.00 1.68 0.00 0.00 54.58 55.56 1wkt n ASN 25 Cb 0.49 -4.04 -0.12 0.00 -1.54 0.00 0.00 39.78 34.57 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 -3.19 0.54 -0.67 3.41 -1.32 -1.26 -5.06 115.64 108.08 1wkt s THR 26 Ca 0.53 -0.94 -0.25 0.00 -1.21 0.00 0.00 61.69 59.82 1wkt s THR 26 Cb -0.26 -0.58 0.05 0.00 -1.51 0.00 0.00 72.50 70.20 1wkt s THR 26 CO 0.65 -0.29 1.09 0.00 -2.21 0.00 0.00 174.62 173.86 1wkt s VAL 28 N 4.74 1.42 -0.06 0.00 1.01 -1.07 -4.91 120.40 121.53 1wkt s VAL 28 Ca 0.29 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1wkt s VAL 28 Cb -0.13 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1wkt s VAL 28 CO 0.14 0.42 0.24 -0.83 0.00 0.00 0.00 175.10 175.07 1wkt s GLY 29 N 0.90 2.27 0.16 4.51 0.00 -1.24 -2.34 107.32 111.58 1wkt s GLY 29 Ca -0.09 -0.50 0.10 0.00 0.00 0.00 0.00 44.72 44.23 1wkt s GLY 29 CO 0.00 -0.22 -0.21 -0.42 0.00 0.00 0.00 173.10 172.25 1wkt s ILE 30 N -1.09 2.59 0.00 0.90 1.09 0.78 -4.97 121.20 120.50 1wkt s ILE 30 Ca 0.20 -1.80 0.00 0.00 -1.10 0.00 0.00 60.65 57.95 1wkt s ILE 30 Cb -0.14 -2.22 0.00 0.00 -1.06 0.00 0.00 42.46 39.04 1wkt s ILE 30 CO 0.09 -0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 1wkt n GLY 31 N 0.46 0.84 3.19 6.18 0.00 -1.26 -4.79 105.19 109.82 1wkt n GLY 31 Ca -0.14 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.50 -0.75 4.61 0.00 -1.26 -2.95 120.51 114.65 1wkt n ALA 32 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1wkt n ALA 32 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 19.45 15.78 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 -2.52 -1.89 -4.58 0.00 5.03 -1.26 -4.84 115.26 105.19 1wkt n ASN 33 Ca -0.04 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.99 1wkt n ASN 33 Cb 0.56 -2.23 -0.02 0.00 -1.02 0.00 0.00 39.78 37.07 1wkt n ASN 33 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1wkt s VAL 34 N -1.54 3.87 0.00 2.41 1.01 -1.15 -4.32 120.40 120.68 1wkt s VAL 34 Ca 0.00 0.78 0.18 0.00 0.00 0.00 0.00 61.98 62.94 1wkt s VAL 34 Cb 0.00 -4.47 0.29 0.00 0.00 0.00 0.00 36.38 32.21 1wkt s VAL 34 CO 0.00 -1.13 1.11 0.00 0.00 0.00 0.00 175.10 175.08 1wkt n HIS 35 N 9.15 0.00 -3.71 5.22 1.44 -0.26 -4.69 115.22 122.37 1wkt n HIS 35 Ca 0.12 -0.49 -0.25 0.00 -2.01 0.00 0.00 57.72 55.09 1wkt n HIS 35 Cb 0.49 0.05 -0.17 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 0.67 0.21 -1.40 0.52 0.77 -0.48 118.94 119.23 1wkt s TRP 36 Ca 0.23 -0.46 -0.23 0.00 0.02 0.00 0.00 56.10 55.66 1wkt s TRP 36 Cb 0.27 -0.85 -0.08 0.00 -1.15 0.00 0.00 33.47 31.65 1wkt s TRP 36 CO -0.12 -0.48 0.77 1.41 0.02 0.00 0.00 176.95 178.55 1wkt s MET 37 N 1.97 4.42 -0.09 4.98 1.75 -0.05 0.60 119.30 132.89 1wkt s MET 37 Ca 0.02 1.04 -0.02 0.00 -1.25 0.00 0.00 55.69 55.48 1wkt s MET 37 Cb -0.15 -3.04 0.03 0.00 2.84 0.00 0.00 34.83 34.51 1wkt s MET 37 CO -0.07 0.46 0.02 0.08 -0.65 0.00 0.00 175.02 174.86 1wkt s VAL 38 N -1.36 0.32 -0.27 10.11 1.01 -0.25 -0.14 120.40 129.82 1wkt s VAL 38 Ca 0.40 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 1wkt s VAL 38 Cb -0.20 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1wkt s VAL 38 CO 0.23 0.17 0.08 0.28 0.00 0.00 0.00 175.10 175.87 1wkt s THR 39 N 1.99 4.29 -1.72 3.92 -1.32 -0.18 -2.51 115.64 120.12 1wkt s THR 39 Ca 0.04 -0.32 0.01 0.00 -1.21 0.00 0.00 61.69 60.22 1wkt s THR 39 Cb -0.13 -3.07 0.04 0.00 -1.51 0.00 0.00 72.50 67.82 1wkt s THR 39 CO -0.05 0.24 0.90 0.61 -2.21 0.00 0.00 174.62 174.11 1wkt n GLY 40 N 4.92 -0.16 1.58 6.08 0.00 0.29 -0.65 105.19 117.26 1wkt n GLY 40 Ca -0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 0.42 0.53 0.00 -0.02 0.00 -1.22 -4.23 105.19 100.66 1wkt n GLY 41 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.25 0.00 0.15 1.61 2.88 -0.52 -2.70 113.62 114.79 1wkt n SER 42 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1wkt n SER 42 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -3.21 2.46 5.66 -1.26 -0.75 114.28 117.17 1wkt n THR 43 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1wkt n THR 43 Cb 0.00 -0.09 -0.06 0.00 -1.55 0.00 0.00 70.33 68.63 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 -2.57 7.00 0.28 1.09 -1.08 -1.26 -3.80 116.67 116.33 1wkt s ASP 44 Ca 0.00 1.28 0.16 0.00 -0.52 0.00 0.00 52.55 53.47 1wkt s ASP 44 Cb 0.00 -2.37 0.07 0.00 -1.46 0.00 0.00 42.92 39.17 1wkt s ASP 44 CO 0.00 0.11 1.42 1.23 0.52 0.00 0.00 175.17 178.45 1wkt h GLY 45 N 3.72 0.00 -0.91 2.66 0.00 -2.00 -3.45 103.07 103.09 1wkt h GLY 45 Ca -0.48 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.43 1wkt h GLY 45 CO 0.65 0.00 0.16 -1.59 0.00 0.00 0.00 176.54 175.76 1wkt s LYS 46 N -2.98 -1.29 0.97 4.80 -2.85 -1.26 -4.56 119.74 112.57 1wkt s LYS 46 Ca 0.04 -0.21 -0.11 0.00 -1.00 0.00 0.00 55.97 54.70 1wkt s LYS 46 Cb 0.07 -1.60 0.18 0.00 -2.06 0.00 0.00 37.83 34.42 1wkt s LYS 46 CO 0.74 -3.73 1.12 1.14 0.10 0.00 0.00 175.35 174.72 1wkt s GLN 47 N -5.54 0.58 0.06 1.78 -2.07 -1.26 -3.76 119.66 109.44 1wkt s GLN 47 Ca 0.72 1.37 -0.00 0.00 -1.82 0.00 0.00 55.36 55.63 1wkt s GLN 47 Cb -0.07 -1.69 -0.04 0.00 -1.09 0.00 0.00 33.01 30.12 1wkt s GLN 47 CO 0.55 -2.87 -0.04 0.20 -1.32 0.00 0.00 175.29 171.81 1wkt s GLY 48 N -2.65 0.51 0.13 2.60 0.00 -0.41 -4.84 107.32 102.67 1wkt s GLY 48 Ca 0.67 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 1wkt s GLY 48 CO 0.59 -1.29 0.14 0.00 0.00 0.00 0.00 173.10 172.55 1wkt s ALA 50 N -4.00 0.63 -0.04 0.00 0.00 0.07 -0.76 121.76 117.67 1wkt s ALA 50 Ca 0.19 -1.22 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 1wkt s ALA 50 Cb 0.06 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1wkt s ALA 50 CO -0.00 -0.32 0.79 0.99 0.00 0.00 0.00 175.76 177.22 1wkt s THR 51 N -3.70 4.96 0.09 0.00 2.01 0.20 -0.31 115.64 118.89 1wkt s THR 51 Ca 0.07 1.64 0.04 0.00 0.31 0.00 0.00 61.69 63.75 1wkt s THR 51 Cb 0.06 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1wkt s THR 51 CO -0.08 0.24 0.05 -0.63 -0.69 0.00 0.00 174.62 173.51 1wkt s ILE 52 N 0.77 4.35 0.17 1.82 1.01 0.15 -0.71 121.20 128.76 1wkt s ILE 52 Ca 0.42 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.29 1wkt s ILE 52 Cb -0.19 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1wkt s ILE 52 CO 0.21 0.11 -0.17 0.26 0.00 0.00 0.00 174.94 175.36 1wkt s TRP 53 N -1.39 1.74 0.02 3.97 0.51 -0.12 -1.68 118.94 121.99 1wkt s TRP 53 Ca 0.28 -0.50 0.01 0.00 -2.12 0.00 0.00 56.10 53.77 1wkt s TRP 53 Cb -0.12 -0.86 -0.26 0.00 -0.81 0.00 0.00 33.47 31.42 1wkt s TRP 53 CO 0.21 0.31 0.92 1.49 -0.51 0.00 0.00 176.95 179.36 1wkt h GLU 54 N 3.15 0.17 -6.79 4.98 4.81 -1.20 -1.18 114.58 118.53 1wkt h GLU 54 Ca -0.41 -0.30 -0.48 0.00 -0.13 0.00 0.00 59.36 58.04 1wkt h GLU 54 Cb 1.21 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1wkt h GLU 54 CO 0.53 1.02 0.25 0.20 -0.73 0.00 0.00 179.01 180.28 1wkt s GLY 55 N -4.92 2.67 -1.11 1.92 0.00 0.22 -4.15 107.32 101.96 1wkt s GLY 55 Ca -0.07 0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.80 1wkt s GLY 55 CO 0.84 0.75 1.72 -0.56 0.00 0.00 0.00 173.10 175.85 1wkt s SER 56 N -1.73 6.07 0.00 1.64 0.01 -1.26 -2.79 113.70 115.64 1wkt s SER 56 Ca 0.49 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1wkt s SER 56 Cb -0.16 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1wkt s SER 56 CO 0.21 -1.93 0.00 0.61 0.41 0.00 0.00 173.24 172.54 1wkt n GLY 57 N 6.26 2.41 0.00 3.44 0.00 -1.26 -4.78 105.19 111.26 1wkt n GLY 57 Ca 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.99 0.00 0.00 -7.23 -1.12 -4.99 120.40 108.05 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 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.54 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 0.24 3.78 2.32 0.00 -1.26 -0.61 105.19 108.66 1wkt n GLY 60 Ca -0.10 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 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 3.31 0.08 1.61 3.52 -1.26 -4.80 118.95 121.41 1wkt s ARG 61 Ca 0.00 1.46 -0.09 0.00 -0.13 0.00 0.00 55.73 56.98 1wkt s ARG 61 Cb 0.00 -2.01 -0.00 0.00 -1.56 0.00 0.00 34.95 31.38 1wkt s ARG 61 CO 0.00 -0.86 0.18 -1.54 -0.81 0.00 0.00 175.30 172.28 1wkt s SER 62 N -2.12 0.12 0.04 -2.12 1.04 -1.26 -0.95 113.70 108.45 1wkt s SER 62 Ca 0.69 -0.62 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 1wkt s SER 62 Cb -0.21 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1wkt s SER 62 CO 0.30 -0.70 -0.04 0.28 0.98 0.00 0.00 173.24 174.07 1wkt s THR 63 N -3.66 0.25 -0.21 2.02 -1.32 -0.67 -4.99 115.64 107.06 1wkt s THR 63 Ca 0.03 -1.44 -0.25 0.00 -1.21 0.00 0.00 61.69 58.82 1wkt s THR 63 Cb 0.04 -1.01 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 1wkt s THR 63 CO -0.10 -0.76 0.86 -0.89 -2.21 0.00 0.00 174.62 171.53 1wkt s THR 64 N -2.80 4.83 -0.27 5.08 2.01 -1.26 -0.68 115.64 122.55 1wkt s THR 64 Ca -0.02 1.66 -0.09 0.00 0.31 0.00 0.00 61.69 63.55 1wkt s THR 64 Cb -0.00 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1wkt s THR 64 CO -0.05 -0.05 0.12 -0.32 -0.69 0.00 0.00 174.62 173.63 1wkt s MET 65 N 2.63 3.65 0.14 4.92 1.75 0.57 -4.94 119.30 128.01 1wkt s MET 65 Ca 0.38 -0.50 0.06 0.00 -1.25 0.00 0.00 55.69 54.37 1wkt s MET 65 Cb -0.16 -3.48 -0.04 0.00 2.84 0.00 0.00 34.83 34.00 1wkt s MET 65 CO 0.09 -0.25 0.03 0.00 -0.65 0.00 0.00 175.02 174.25 1wkt n PRO 68 N 2.31 -1.44 -2.28 0.00 -0.02 -1.26 -1.28 135.00 131.03 1wkt n PRO 68 Ca -0.16 -0.40 -0.27 0.00 -2.02 0.00 0.00 63.50 60.66 1wkt n PRO 68 Cb 0.57 -1.75 0.05 0.00 -0.02 0.00 0.00 33.50 32.34 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 -2.27 3.22 -1.31 3.55 0.00 -1.25 -4.46 121.76 119.24 1wkt s ALA 69 Ca 0.57 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 1wkt s ALA 69 Cb -0.14 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1wkt s ALA 69 CO 0.66 -1.02 0.91 0.09 0.00 0.00 0.00 175.76 176.40 1wkt n ASN 70 N -2.74 -2.70 -3.61 0.00 5.03 0.18 -4.87 115.26 106.54 1wkt n ASN 70 Ca 0.06 -0.71 -0.09 0.00 0.87 0.00 0.00 54.58 54.71 1wkt n ASN 70 Cb 0.59 -4.53 -0.02 0.00 -1.02 0.00 0.00 39.78 34.80 1wkt n ASN 70 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1wkt s THR 71 N -3.47 0.00 -0.00 3.41 -1.32 -0.39 -5.00 115.64 108.87 1wkt s THR 71 Ca 0.18 -1.19 0.02 0.00 -1.21 0.00 0.00 61.69 59.49 1wkt s THR 71 Cb -0.08 -2.34 -0.03 0.00 -1.51 0.00 0.00 72.50 68.53 1wkt s THR 71 CO 0.78 0.00 -0.03 0.00 -2.21 0.00 0.00 174.62 173.16 1wkt s ASN 74 N 2.08 4.98 -0.11 0.00 3.04 -1.26 -0.87 114.94 122.80 1wkt s ASN 74 Ca 0.10 1.48 -0.30 0.00 0.04 0.00 0.00 52.86 54.18 1wkt s ASN 74 Cb -0.16 -2.51 -0.03 0.00 -1.54 0.00 0.00 41.25 37.02 1wkt s ASN 74 CO -0.33 -2.39 1.30 -0.63 -3.04 0.00 0.00 177.10 172.01 1wkt s ILE 75 N 10.11 4.15 -0.43 -5.21 1.09 0.37 -4.90 121.20 126.38 1wkt s ILE 75 Ca 0.98 1.43 0.00 0.00 -1.10 0.00 0.00 60.65 61.97 1wkt s ILE 75 Cb -0.25 -3.92 0.21 0.00 -1.06 0.00 0.00 42.46 37.43 1wkt s ILE 75 CO 0.31 -0.09 0.93 -3.20 -0.10 0.00 0.00 174.94 172.79 1wkt n ASN 76 N 6.21 -2.45 -4.77 3.58 5.15 -1.26 -4.67 115.26 117.05 1wkt n ASN 76 Ca 0.13 -2.00 -0.29 0.00 -0.60 0.00 0.00 54.58 51.82 1wkt n ASN 76 Cb 0.45 1.26 0.12 0.00 -0.53 0.00 0.00 39.78 41.08 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 0.88 2.55 0.33 -0.44 -4.23 -1.26 -4.95 115.64 108.53 1wkt s THR 77 Ca 0.27 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 1wkt s THR 77 Cb 0.08 -2.85 0.27 0.00 1.34 0.00 0.00 72.50 71.33 1wkt s THR 77 CO -0.09 -0.23 1.98 1.23 -0.54 0.00 0.00 174.62 176.97 1wkt h GLY 78 N -1.39 1.01 -1.57 3.99 0.00 -2.04 -3.41 103.07 99.67 1wkt h GLY 78 Ca -0.49 -0.37 -0.50 0.00 0.00 0.00 0.00 47.33 45.97 1wkt h GLY 78 CO 0.59 0.34 0.36 -0.11 0.00 0.00 0.00 176.54 177.72 1wkt s PHE 79 N -5.79 3.58 0.15 5.60 -0.71 -1.26 -5.05 117.98 114.50 1wkt s PHE 79 Ca -0.11 1.25 -0.30 0.00 -1.04 0.00 0.00 56.93 56.74 1wkt s PHE 79 Cb 0.18 -2.67 -0.07 0.00 -1.21 0.00 0.00 43.02 39.25 1wkt s PHE 79 CO 0.78 -0.55 1.18 -0.47 -1.34 0.00 0.00 175.22 174.81 1wkt s TYR 80 N -2.98 3.47 0.27 3.49 5.04 -1.26 -4.97 117.35 120.40 1wkt s TYR 80 Ca 0.55 1.43 -0.29 0.00 -2.44 0.00 0.00 57.07 56.32 1wkt s TYR 80 Cb -0.11 -3.39 -0.09 0.00 0.35 0.00 0.00 41.96 38.72 1wkt s TYR 80 CO 0.48 -1.08 0.97 0.96 -1.34 0.00 0.00 175.55 175.53 1wkt s ILE 81 N 0.17 3.98 0.00 3.14 -0.00 -1.26 -4.51 121.20 122.72 1wkt s ILE 81 Ca 0.53 1.91 0.00 0.00 -0.00 0.00 0.00 60.65 63.10 1wkt s ILE 81 Cb -0.31 -4.19 0.00 0.00 -0.00 0.00 0.00 42.46 37.96 1wkt s ILE 81 CO 0.34 0.39 0.00 0.54 -0.00 0.00 0.00 174.94 176.22 1wkt n ARG 82 N 1.22 2.63 -3.91 0.37 1.74 -0.50 -4.94 116.66 113.26 1wkt n ARG 82 Ca -0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 1wkt n ARG 82 Cb 0.47 -0.76 -0.06 0.00 -1.02 0.00 0.00 32.46 31.10 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 -1.36 -0.07 0.10 0.55 0.01 -0.85 -0.15 113.70 111.94 1wkt s SER 83 Ca 0.00 -0.78 -0.22 0.00 1.31 0.00 0.00 55.95 56.25 1wkt s SER 83 Cb 0.00 0.50 0.06 0.00 0.21 0.00 0.00 66.02 66.79 1wkt s SER 83 CO 0.00 -0.99 0.55 -0.72 0.41 0.00 0.00 173.24 172.49 1wkt s TYR 84 N -3.95 -0.45 -0.11 2.43 1.13 -0.99 -0.94 117.35 114.45 1wkt s TYR 84 Ca 0.16 0.35 -0.05 0.00 -1.41 0.00 0.00 57.07 56.13 1wkt s TYR 84 Cb 0.01 0.43 0.05 0.00 -1.10 0.00 0.00 41.96 41.36 1wkt s TYR 84 CO 0.01 -0.74 0.24 0.50 -2.51 0.00 0.00 175.55 173.05 1wkt s ARG 85 N -3.18 0.16 0.75 -3.49 3.52 0.11 -3.82 118.95 112.99 1wkt s ARG 85 Ca -0.01 0.63 -0.15 0.00 -0.13 0.00 0.00 55.73 56.07 1wkt s ARG 85 Cb -0.00 -0.10 0.04 0.00 -1.56 0.00 0.00 34.95 33.33 1wkt s ARG 85 CO -0.08 -0.24 1.18 -2.13 -0.81 0.00 0.00 175.30 173.23 1wkt n ARG 86 N 4.87 0.51 0.00 5.12 3.00 -0.06 -0.62 116.66 129.48 1wkt n ARG 86 Ca -0.14 0.24 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1wkt n ARG 86 Cb 0.51 -2.43 0.00 0.00 0.00 0.00 0.00 32.46 30.54 1wkt n ARG 86 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1wkt n VAL 87 N -2.75 0.00 -0.78 5.15 0.24 0.06 -3.75 118.33 116.50 1wkt n VAL 87 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1wkt n VAL 87 Cb 0.50 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1wkt n VAL 87 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85