#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 -4.32 1.61 9.92 -1.26 -4.38 116.55 118.11 1wkt n ASP 2 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1wkt n ASP 2 Cb 0.00 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 40.71 1wkt n ASP 2 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wkt n GLY 3 N 0.00 -2.38 3.63 0.44 0.00 -1.26 -5.04 105.19 100.58 1wkt n GLY 3 Ca 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.31 0.35 -0.23 1.61 -0.85 -1.26 -4.98 117.35 109.69 1wkt s TYR 4 Ca 0.64 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 56.46 1wkt s TYR 4 Cb -0.20 0.27 0.06 0.00 0.38 0.00 0.00 41.96 42.47 1wkt s TYR 4 CO 0.65 -1.08 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.37 1wkt s LEU 5 N -3.03 2.49 0.39 -3.49 0.20 -1.26 -1.05 118.68 112.92 1wkt s LEU 5 Ca 0.21 -1.10 0.08 0.00 0.69 0.00 0.00 54.13 54.01 1wkt s LEU 5 Cb -0.02 -1.18 -0.08 0.00 -0.43 0.00 0.00 46.19 44.48 1wkt s LEU 5 CO 0.10 -0.22 -0.01 0.27 -0.29 0.00 0.00 176.35 176.20 1wkt s ILE 6 N 1.40 2.08 0.17 6.68 -4.36 -1.05 -4.91 121.20 121.21 1wkt s ILE 6 Ca -0.05 -2.05 0.11 0.00 -0.26 0.00 0.00 60.65 58.40 1wkt s ILE 6 Cb -0.18 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 1wkt s ILE 6 CO -0.07 -0.05 -0.22 0.00 0.24 0.00 0.00 174.94 174.84 1wkt s MET 7 N -3.69 1.59 0.05 0.37 0.23 -1.25 -0.97 119.30 115.62 1wkt s MET 7 Ca 0.34 -1.42 0.01 0.00 -1.03 0.00 0.00 55.69 53.59 1wkt s MET 7 Cb 0.08 -1.92 -0.03 0.00 -1.53 0.00 0.00 34.83 31.42 1wkt s MET 7 CO 0.18 0.42 -0.05 0.00 -2.03 0.00 0.00 175.02 173.54 1wkt n LYS 9 N 0.94 0.22 -3.20 0.00 4.76 -1.26 -3.09 118.16 116.53 1wkt n LYS 9 Ca -0.19 0.12 -0.05 0.00 -2.87 0.00 0.00 58.31 55.32 1wkt n LYS 9 Cb 0.57 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.28 1wkt n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1wkt n ASN 10 N -1.32 -1.55 -0.10 4.39 0.23 -1.26 -4.73 115.26 110.92 1wkt n ASN 10 Ca 0.08 -1.96 0.10 0.00 -0.53 0.00 0.00 54.58 52.27 1wkt n ASN 10 Cb 0.16 2.55 0.54 0.00 -2.08 0.00 0.00 39.78 40.94 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 -1.60 3.93 0.62 0.00 -1.08 -1.26 -4.83 116.67 112.45 1wkt s ASP 12 Ca 0.30 -2.72 0.40 0.00 -0.52 0.00 0.00 52.55 50.00 1wkt s ASP 12 Cb 0.14 -1.27 2.04 0.00 -1.46 0.00 0.00 42.92 42.38 1wkt s ASP 12 CO 0.23 -0.26 2.24 1.55 0.52 0.00 0.00 175.17 179.45 1wkt h PRO 13 N 6.71 0.00 0.00 4.34 0.13 -1.87 0.09 132.00 141.40 1wkt h PRO 13 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1wkt h PRO 13 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1wkt h PRO 13 CO 0.56 0.01 -0.14 -0.97 -0.23 0.00 0.00 178.00 177.22 1wkt h ASN 14 N 0.00 0.00 0.00 1.44 -0.73 -1.99 -3.37 115.58 110.93 1wkt h ASN 14 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1wkt h ASN 14 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1wkt h ASN 14 CO 0.00 0.14 -0.15 1.07 -0.37 0.00 0.00 177.43 178.12 1wkt n THR 15 N -3.52 0.00 -4.54 -3.57 5.66 -0.17 -5.04 114.28 103.11 1wkt n THR 15 Ca -0.01 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.65 1wkt n THR 15 Cb 0.29 0.63 -0.11 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.30 1.74 -0.87 1.09 0.00 -0.16 -4.98 107.32 103.83 1wkt s GLY 16 Ca 0.00 -0.86 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 1wkt s GLY 16 CO 0.00 -0.56 1.64 -1.35 0.00 0.00 0.00 173.10 172.83 1wkt s SER 17 N -0.66 5.82 0.21 1.64 1.04 -1.26 -4.74 113.70 115.74 1wkt s SER 17 Ca 0.10 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.75 1wkt s SER 17 Cb -0.12 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 1wkt s SER 17 CO 0.02 -2.09 0.44 0.00 0.98 0.00 0.00 173.24 172.59 1wkt s ASP 19 N -2.84 6.21 -0.11 0.00 1.47 -0.12 -4.90 116.67 116.38 1wkt s ASP 19 Ca 0.42 -0.86 0.00 0.00 1.18 0.00 0.00 52.55 53.29 1wkt s ASP 19 Cb -0.11 -2.25 0.10 0.00 -0.34 0.00 0.00 42.92 40.32 1wkt s ASP 19 CO 0.27 -0.74 1.66 0.79 0.68 0.00 0.00 175.17 177.83 1wkt n TRP 20 N 5.83 0.60 -2.75 2.11 7.02 -1.26 -3.89 117.44 125.10 1wkt n TRP 20 Ca -0.07 -1.12 -0.28 0.00 -1.02 0.00 0.00 57.50 55.00 1wkt n TRP 20 Cb 0.46 -0.56 -0.01 0.00 -2.42 0.00 0.00 31.31 28.78 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 -0.68 3.62 0.48 -0.99 -0.14 -1.26 -5.06 119.74 115.71 1wkt s LYS 21 Ca 0.12 0.28 -0.24 0.00 -1.36 0.00 0.00 55.97 54.77 1wkt s LYS 21 Cb 0.09 -2.40 -0.07 0.00 -1.68 0.00 0.00 37.83 33.78 1wkt s LYS 21 CO 0.01 -0.13 1.33 -1.14 -0.76 0.00 0.00 175.35 174.66 1wkt s GLN 22 N -4.38 3.56 0.00 1.68 0.74 -1.26 -4.93 119.66 115.06 1wkt s GLN 22 Ca 0.48 2.18 0.01 0.00 0.05 0.00 0.00 55.36 58.09 1wkt s GLN 22 Cb -0.10 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.54 1wkt s GLN 22 CO 0.40 -0.84 0.87 0.27 -0.55 0.00 0.00 175.29 175.44 1wkt n ASN 23 N -0.48 0.03 -4.44 6.67 0.23 -1.26 -5.02 115.26 110.99 1wkt n ASN 23 Ca 0.07 -1.73 -0.32 0.00 -0.53 0.00 0.00 54.58 52.07 1wkt n ASN 23 Cb 0.44 -0.14 -0.13 0.00 -2.08 0.00 0.00 39.78 37.87 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 2.58 -2.12 -2.53 -0.11 -1.26 -0.72 118.94 114.79 1wkt s TRP 24 Ca 0.02 -0.24 0.00 0.00 1.22 0.00 0.00 56.10 57.10 1wkt s TRP 24 Cb 0.02 -1.55 0.00 0.00 -1.50 0.00 0.00 33.47 30.44 1wkt s TRP 24 CO -0.01 0.17 0.00 0.09 -4.62 0.00 0.00 176.95 172.58 1wkt n ASN 25 N 2.07 -5.43 -3.79 5.86 3.02 -1.26 -4.94 115.26 110.78 1wkt n ASN 25 Ca -0.17 0.48 -0.14 0.00 -0.03 0.00 0.00 54.58 54.72 1wkt n ASN 25 Cb 0.52 -4.69 -0.15 0.00 -0.61 0.00 0.00 39.78 34.85 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 -2.76 -0.04 -1.29 3.41 -4.23 -1.26 -5.07 115.64 104.40 1wkt s THR 26 Ca 0.00 0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.51 1wkt s THR 26 Cb 0.00 -0.12 0.12 0.00 1.34 0.00 0.00 72.50 73.84 1wkt s THR 26 CO 0.00 0.06 1.76 0.00 -0.54 0.00 0.00 174.62 175.89 1wkt s VAL 28 N 2.22 4.45 0.61 0.00 1.01 0.43 -4.77 120.40 124.36 1wkt s VAL 28 Ca 0.46 1.46 -0.10 0.00 0.00 0.00 0.00 61.98 63.79 1wkt s VAL 28 Cb 0.05 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1wkt s VAL 28 CO 0.01 0.17 1.00 -0.83 0.00 0.00 0.00 175.10 175.45 1wkt s GLY 29 N -1.66 1.63 -0.05 4.51 0.00 -1.26 -0.68 107.32 109.81 1wkt s GLY 29 Ca 0.46 -0.22 0.06 0.00 0.00 0.00 0.00 44.72 45.02 1wkt s GLY 29 CO 0.22 0.05 -0.22 -0.42 0.00 0.00 0.00 173.10 172.73 1wkt s ILE 30 N -3.13 1.83 -0.16 0.90 1.01 0.90 -4.86 121.20 117.69 1wkt s ILE 30 Ca 0.54 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 60.02 1wkt s ILE 30 Cb -0.11 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.86 1wkt s ILE 30 CO 0.52 0.51 0.59 -0.83 0.00 0.00 0.00 174.94 175.74 1wkt s GLY 31 N -0.11 -0.45 -0.33 6.18 0.00 -1.26 -4.72 107.32 106.63 1wkt s GLY 31 Ca -0.03 1.46 -0.03 0.00 0.00 0.00 0.00 44.72 46.11 1wkt s GLY 31 CO 0.03 1.19 0.35 0.00 0.00 0.00 0.00 173.10 174.67 1wkt n ALA 32 N 2.11 -2.40 -0.99 3.20 0.00 -1.26 -3.61 120.51 117.56 1wkt n ALA 32 Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1wkt n ALA 32 Cb 0.56 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.02 -5.06 -4.55 0.00 4.13 -1.26 -4.93 115.26 102.56 1wkt n ASN 33 Ca 0.02 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.89 1wkt n ASN 33 Cb 0.40 -2.62 -0.03 0.00 -1.54 0.00 0.00 39.78 35.99 1wkt n ASN 33 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wkt s VAL 34 N -1.30 3.65 -0.26 2.41 1.01 -1.24 -4.49 120.40 120.18 1wkt s VAL 34 Ca 0.00 0.08 0.19 0.00 0.00 0.00 0.00 61.98 62.25 1wkt s VAL 34 Cb 0.00 -4.64 0.50 0.00 0.00 0.00 0.00 36.38 32.24 1wkt s VAL 34 CO 0.00 -1.58 1.13 0.00 0.00 0.00 0.00 175.10 174.66 1wkt n HIS 35 N 10.47 1.58 -3.77 5.22 1.44 -1.19 -4.64 115.22 124.33 1wkt n HIS 35 Ca 0.16 -2.12 -0.13 0.00 -2.01 0.00 0.00 57.72 53.62 1wkt n HIS 35 Cb 0.50 -0.25 -0.13 0.00 0.12 0.00 0.00 29.99 30.23 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 -3.68 -0.24 -0.10 -1.40 0.52 -1.18 -0.72 118.94 112.14 1wkt s TRP 36 Ca 0.33 0.60 0.02 0.00 0.02 0.00 0.00 56.10 57.07 1wkt s TRP 36 Cb 0.34 0.03 -0.02 0.00 -1.15 0.00 0.00 33.47 32.68 1wkt s TRP 36 CO -0.02 -0.16 -0.15 1.41 0.02 0.00 0.00 176.95 178.05 1wkt s MET 37 N 0.69 3.08 -0.21 4.98 1.75 -0.30 -0.54 119.30 128.75 1wkt s MET 37 Ca -0.05 -0.72 -0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1wkt s MET 37 Cb -0.06 -2.51 0.05 0.00 2.84 0.00 0.00 34.83 35.15 1wkt s MET 37 CO -0.04 0.33 -0.03 0.08 -0.65 0.00 0.00 175.02 174.71 1wkt s VAL 38 N 0.04 1.15 -1.16 10.11 1.01 -0.14 -0.58 120.40 130.83 1wkt s VAL 38 Ca -0.05 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1wkt s VAL 38 Cb -0.15 -1.46 0.25 0.00 0.00 0.00 0.00 36.38 35.03 1wkt s VAL 38 CO 0.05 -0.07 1.54 0.35 0.00 0.00 0.00 175.10 176.96 1wkt n THR 39 N 4.83 4.83 -0.45 3.92 -2.24 -0.43 -2.51 114.28 122.22 1wkt n THR 39 Ca -0.11 -5.29 0.06 0.00 -2.27 0.00 0.00 64.05 56.43 1wkt n THR 39 Cb 0.46 -2.28 -0.02 0.00 -2.10 0.00 0.00 70.33 66.39 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 2.23 -1.91 2.71 3.38 0.00 -0.22 -0.81 105.19 110.57 1wkt n GLY 40 Ca 0.31 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.69 0.46 0.00 -0.02 0.00 -1.26 -3.22 105.19 98.47 1wkt n GLY 41 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.03 0.00 0.00 1.61 2.88 -1.26 -5.02 113.62 112.86 1wkt n SER 42 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wkt n SER 42 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1wkt n SER 42 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wkt n THR 43 N 0.00 0.00 0.00 2.46 -2.24 -1.26 -5.01 114.28 108.23 1wkt n THR 43 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wkt n THR 43 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1wkt n THR 43 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wkt n ASP 44 N -2.22 0.00 -0.72 3.42 2.03 -1.26 -4.79 116.55 113.01 1wkt n ASP 44 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1wkt n ASP 44 Cb 0.00 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.56 1wkt n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wkt n GLY 45 N 0.00 2.13 3.72 0.27 0.00 -1.26 -4.76 105.19 105.29 1wkt n GLY 45 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1wkt n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wkt s LYS 46 N -1.02 4.34 0.42 1.61 -2.85 -1.26 -4.68 119.74 116.29 1wkt s LYS 46 Ca 0.25 2.08 -0.25 0.00 -1.00 0.00 0.00 55.97 57.05 1wkt s LYS 46 Cb 0.14 -3.22 -0.10 0.00 -2.06 0.00 0.00 37.83 32.58 1wkt s LYS 46 CO 0.18 -0.37 1.09 0.00 0.10 0.00 0.00 175.35 176.35 1wkt n GLN 47 N 3.44 1.53 -4.25 1.78 0.00 -1.26 -4.11 117.38 114.51 1wkt n GLN 47 Ca 0.09 0.55 -0.34 0.00 0.00 0.00 0.00 57.00 57.30 1wkt n GLN 47 Cb 0.42 -2.14 -0.11 0.00 0.00 0.00 0.00 30.24 28.41 1wkt n GLN 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1wkt s GLY 48 N -0.67 1.81 0.07 2.61 0.00 -0.15 -4.85 107.32 106.14 1wkt s GLY 48 Ca 0.62 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 44.61 1wkt s GLY 48 CO 0.57 -0.10 -0.14 0.00 0.00 0.00 0.00 173.10 173.43 1wkt s ALA 50 N -1.21 -0.46 -0.36 0.00 0.00 0.20 -0.46 121.76 119.47 1wkt s ALA 50 Ca -0.02 0.52 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 1wkt s ALA 50 Cb -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1wkt s ALA 50 CO 0.02 -0.09 0.93 0.99 0.00 0.00 0.00 175.76 177.61 1wkt s THR 51 N 0.09 4.59 -0.14 0.00 2.01 -0.23 -0.35 115.64 121.61 1wkt s THR 51 Ca -0.00 1.24 -0.07 0.00 0.31 0.00 0.00 61.69 63.17 1wkt s THR 51 Cb -0.01 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1wkt s THR 51 CO 0.00 -0.51 0.12 -0.63 -0.69 0.00 0.00 174.62 172.91 1wkt s ILE 52 N 3.45 5.31 0.26 1.82 1.01 -0.17 -0.88 121.20 132.01 1wkt s ILE 52 Ca 0.38 0.14 0.12 0.00 0.00 0.00 0.00 60.65 61.29 1wkt s ILE 52 Cb -0.12 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1wkt s ILE 52 CO 0.18 0.57 -0.21 0.26 0.00 0.00 0.00 174.94 175.74 1wkt s TRP 53 N -0.60 2.29 0.18 3.97 0.51 0.30 -1.13 118.94 124.47 1wkt s TRP 53 Ca 0.12 -0.34 -0.13 0.00 -2.12 0.00 0.00 56.10 53.64 1wkt s TRP 53 Cb -0.12 -1.02 0.18 0.00 -0.81 0.00 0.00 33.47 31.70 1wkt s TRP 53 CO 0.02 0.68 1.72 1.49 -0.51 0.00 0.00 176.95 180.35 1wkt h GLU 54 N 2.45 0.23 0.00 4.98 4.22 -0.41 -2.59 114.58 123.46 1wkt h GLU 54 Ca -0.41 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.01 1wkt h GLU 54 Cb 1.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wkt h GLU 54 CO 0.58 0.15 0.00 0.41 -2.18 0.00 0.00 179.01 177.97 1wkt n GLY 55 N -1.28 -1.13 2.62 1.92 0.00 -0.36 0.31 105.19 107.27 1wkt n GLY 55 Ca 0.05 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 1wkt n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wkt n SER 56 N 0.08 -3.90 -0.06 1.61 7.64 -1.26 -0.33 113.62 117.39 1wkt n SER 56 Ca 0.00 -0.02 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 1wkt n SER 56 Cb 0.00 -1.08 -0.00 0.00 -1.01 0.00 0.00 64.21 62.12 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 0.16 0.38 3.76 0.23 0.00 -1.26 -4.38 105.19 104.08 1wkt n GLY 57 Ca -0.05 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.24 0.97 0.00 0.00 -7.23 0.55 -4.93 120.40 106.52 1wkt s VAL 59 Ca 0.24 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1wkt s VAL 59 Cb -0.11 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1wkt s VAL 59 CO 0.89 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.29 1wkt n GLY 60 N -0.97 -0.64 3.81 2.32 0.00 -1.26 -1.23 105.19 107.22 1wkt n GLY 60 Ca -0.09 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 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 2.92 0.19 1.61 3.52 -1.26 -4.74 118.95 121.19 1wkt s ARG 61 Ca 0.00 1.00 -0.07 0.00 -0.13 0.00 0.00 55.73 56.53 1wkt s ARG 61 Cb 0.00 -1.99 -0.02 0.00 -1.56 0.00 0.00 34.95 31.38 1wkt s ARG 61 CO 0.00 -1.12 0.27 -1.54 -0.81 0.00 0.00 175.30 172.10 1wkt s SER 62 N -3.67 0.07 -0.20 -2.12 1.04 -1.26 -0.03 113.70 107.52 1wkt s SER 62 Ca 0.59 -1.08 -0.16 0.00 0.48 0.00 0.00 55.95 55.78 1wkt s SER 62 Cb -0.14 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.48 1wkt s SER 62 CO 0.53 -0.93 0.53 0.28 0.98 0.00 0.00 173.24 174.63 1wkt s THR 63 N -4.05 -0.01 -0.56 2.02 -1.32 -0.29 -5.00 115.64 106.44 1wkt s THR 63 Ca 0.26 0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.51 1wkt s THR 63 Cb 0.04 -0.75 0.04 0.00 -1.51 0.00 0.00 72.50 70.32 1wkt s THR 63 CO 0.06 0.01 0.99 -0.89 -2.21 0.00 0.00 174.62 172.58 1wkt s THR 64 N 0.77 4.31 0.27 5.08 2.01 -1.26 -1.00 115.64 125.82 1wkt s THR 64 Ca -0.04 0.39 -0.22 0.00 0.31 0.00 0.00 61.69 62.13 1wkt s THR 64 Cb -0.05 -4.58 -0.09 0.00 0.01 0.00 0.00 72.50 67.79 1wkt s THR 64 CO -0.06 -1.17 0.81 -0.32 -0.69 0.00 0.00 174.62 173.19 1wkt s MET 65 N 4.15 4.36 0.05 4.92 1.75 0.53 -4.93 119.30 130.12 1wkt s MET 65 Ca 0.33 1.03 0.08 0.00 -1.25 0.00 0.00 55.69 55.87 1wkt s MET 65 Cb -0.12 -2.82 -0.03 0.00 2.84 0.00 0.00 34.83 34.71 1wkt s MET 65 CO 0.20 0.33 -0.21 0.00 -0.65 0.00 0.00 175.02 174.70 1wkt n PRO 68 N 4.92 0.80 -1.51 0.00 -0.02 -1.26 -0.98 135.00 136.96 1wkt n PRO 68 Ca -0.10 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.37 1wkt n PRO 68 Cb 0.46 -1.79 0.06 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.50 2.53 -1.15 3.55 0.00 -1.26 -3.52 121.76 120.42 1wkt s ALA 69 Ca 0.66 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 1wkt s ALA 69 Cb -0.52 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1wkt s ALA 69 CO 0.55 -1.40 0.98 0.09 0.00 0.00 0.00 175.76 175.98 1wkt n ASN 70 N -3.25 -5.70 -3.55 0.00 3.02 0.01 -5.01 115.26 100.78 1wkt n ASN 70 Ca 0.08 -0.45 -0.11 0.00 -0.03 0.00 0.00 54.58 54.07 1wkt n ASN 70 Cb 0.54 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 1wkt n ASN 70 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wkt s THR 71 N -3.26 0.04 -0.11 3.41 2.01 -1.23 -4.97 115.64 111.53 1wkt s THR 71 Ca 0.49 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 1wkt s THR 71 Cb -0.21 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1wkt s THR 71 CO 0.60 -0.18 -0.07 0.00 -0.69 0.00 0.00 174.62 174.28 1wkt s ASN 74 N -0.06 7.13 -0.93 0.00 3.04 -1.26 -1.14 114.94 121.72 1wkt s ASN 74 Ca -0.01 1.38 -0.15 0.00 0.04 0.00 0.00 52.86 54.12 1wkt s ASN 74 Cb -0.10 -2.50 0.19 0.00 -1.54 0.00 0.00 41.25 37.30 1wkt s ASN 74 CO 0.01 -0.33 1.00 -0.63 -3.04 0.00 0.00 177.10 174.11 1wkt s ILE 75 N 1.61 5.27 -0.45 -5.21 1.09 0.10 -4.81 121.20 118.79 1wkt s ILE 75 Ca 0.44 -2.24 0.07 0.00 -1.10 0.00 0.00 60.65 57.82 1wkt s ILE 75 Cb -0.18 -4.64 0.26 0.00 -1.06 0.00 0.00 42.46 36.84 1wkt s ILE 75 CO 0.18 -1.28 0.83 0.59 -0.10 0.00 0.00 174.94 175.16 1wkt n ASN 76 N 4.97 -1.86 -4.10 3.58 3.02 -1.26 -4.63 115.26 114.98 1wkt n ASN 76 Ca 0.21 -3.20 -0.30 0.00 -0.03 0.00 0.00 54.58 51.26 1wkt n ASN 76 Cb 0.47 1.11 0.20 0.00 -0.61 0.00 0.00 39.78 40.95 1wkt n ASN 76 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wkt s THR 77 N -0.01 1.80 0.21 3.41 -4.23 -1.26 -4.92 115.64 110.64 1wkt s THR 77 Ca 0.32 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.69 1wkt s THR 77 Cb 0.23 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.63 1wkt s THR 77 CO -0.18 0.00 1.62 1.23 -0.54 0.00 0.00 174.62 176.75 1wkt h GLY 78 N -2.11 0.42 -2.25 3.99 0.00 -2.01 -3.41 103.07 97.70 1wkt h GLY 78 Ca -0.46 0.23 -0.48 0.00 0.00 0.00 0.00 47.33 46.62 1wkt h GLY 78 CO 0.41 -0.24 -0.03 -0.11 0.00 0.00 0.00 176.54 176.56 1wkt s PHE 79 N -6.22 3.44 0.25 5.60 -0.71 -1.26 -5.07 117.98 114.01 1wkt s PHE 79 Ca -0.14 0.52 -0.30 0.00 -1.04 0.00 0.00 56.93 55.97 1wkt s PHE 79 Cb 0.19 -2.20 -0.09 0.00 -1.21 0.00 0.00 43.02 39.71 1wkt s PHE 79 CO 0.73 -0.21 1.09 -0.47 -1.34 0.00 0.00 175.22 175.02 1wkt s TYR 80 N -2.58 3.62 -0.08 3.49 5.04 -1.26 -4.94 117.35 120.63 1wkt s TYR 80 Ca 0.46 1.69 0.02 0.00 -2.44 0.00 0.00 57.07 56.80 1wkt s TYR 80 Cb -0.10 -3.26 -0.02 0.00 0.35 0.00 0.00 41.96 38.93 1wkt s TYR 80 CO 0.40 -0.49 -0.14 0.96 -1.34 0.00 0.00 175.55 174.94 1wkt s ILE 81 N -0.92 3.00 0.00 3.14 -0.00 -1.26 -4.32 121.20 120.84 1wkt s ILE 81 Ca 0.45 -0.72 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 1wkt s ILE 81 Cb -0.31 -2.21 0.00 0.00 -0.00 0.00 0.00 42.46 39.95 1wkt s ILE 81 CO 0.39 0.56 0.00 -1.14 -0.00 0.00 0.00 174.94 174.75 1wkt n ARG 82 N 2.84 4.83 -4.41 0.37 0.63 0.15 -4.88 116.66 116.19 1wkt n ARG 82 Ca -0.18 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.54 1wkt n ARG 82 Cb 0.52 -0.59 -0.09 0.00 0.45 0.00 0.00 32.46 32.75 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 -0.38 2.02 0.17 6.15 0.01 -1.02 -0.07 113.70 120.57 1wkt s SER 83 Ca 0.00 -1.54 -0.24 0.00 1.31 0.00 0.00 55.95 55.49 1wkt s SER 83 Cb 0.00 0.30 0.07 0.00 0.21 0.00 0.00 66.02 66.60 1wkt s SER 83 CO 0.00 -0.83 0.99 -0.72 0.41 0.00 0.00 173.24 173.09 1wkt s TYR 84 N -3.45 -0.06 -0.15 2.43 1.13 0.15 -0.54 117.35 116.86 1wkt s TYR 84 Ca 0.33 -0.29 -0.06 0.00 -1.41 0.00 0.00 57.07 55.64 1wkt s TYR 84 Cb 0.05 0.66 0.07 0.00 -1.10 0.00 0.00 41.96 41.64 1wkt s TYR 84 CO 0.16 -0.87 0.34 0.50 -2.51 0.00 0.00 175.55 173.16 1wkt s ARG 85 N -2.90 0.26 0.31 -3.49 3.00 -0.06 -0.42 118.95 115.65 1wkt s ARG 85 Ca 0.15 0.80 -0.29 0.00 -1.00 0.00 0.00 55.73 55.39 1wkt s ARG 85 Cb -0.02 0.05 -0.10 0.00 0.00 0.00 0.00 34.95 34.89 1wkt s ARG 85 CO 0.03 -0.23 1.32 0.50 0.00 0.00 0.00 175.30 176.93 1wkt s ARG 86 N 2.03 4.35 0.00 5.12 3.52 0.11 -1.07 118.95 133.01 1wkt s ARG 86 Ca -0.04 2.20 0.00 0.00 -0.13 0.00 0.00 55.73 57.76 1wkt s ARG 86 Cb -0.11 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1wkt s ARG 86 CO -0.11 -0.22 0.00 1.33 -0.81 0.00 0.00 175.30 175.50 1wkt n VAL 87 N 1.20 0.00 -1.64 7.11 0.24 0.39 -4.25 118.33 121.39 1wkt n VAL 87 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1wkt n VAL 87 Cb 0.42 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1wkt n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90