#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py0 s SER 0 N 0.00 6.97 0.07 0.00 0.15 -1.26 -4.96 113.70 114.66 1py0 s SER 0 Ca 0.00 2.17 0.09 0.00 0.70 0.00 0.00 55.95 58.91 1py0 s SER 0 Cb 0.00 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1py0 s SER 0 CO 0.00 -0.54 -0.24 -1.61 1.20 0.00 0.00 173.24 172.05 1py0 s GLU 1 N 0.96 1.53 -0.17 5.44 2.02 -1.26 -4.97 118.70 122.25 1py0 s GLU 1 Ca 0.61 -1.12 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 1py0 s GLU 1 Cb -0.33 -1.77 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 1py0 s GLU 1 CO 0.30 0.44 0.14 1.21 0.02 0.00 0.00 175.26 177.38 1py0 s ASN 2 N -1.47 6.29 -0.26 -0.19 2.47 -1.26 -0.33 114.94 120.20 1py0 s ASN 2 Ca 0.10 0.34 -0.03 0.00 0.42 0.00 0.00 52.86 53.70 1py0 s ASN 2 Cb -0.10 -2.09 0.02 0.00 -1.45 0.00 0.00 41.25 37.64 1py0 s ASN 2 CO 0.03 0.27 -0.04 -0.63 -3.72 0.00 0.00 177.10 173.01 1py0 s ILE 3 N -0.18 3.07 -0.05 -5.21 1.09 0.40 -4.95 121.20 115.36 1py0 s ILE 3 Ca 0.11 -0.97 -0.21 0.00 -1.10 0.00 0.00 60.65 58.48 1py0 s ILE 3 Cb -0.11 -2.56 -0.04 0.00 -1.06 0.00 0.00 42.46 38.68 1py0 s ILE 3 CO 0.01 0.17 0.62 -0.70 -0.10 0.00 0.00 174.94 174.94 1py0 s GLU 4 N 1.35 4.38 -0.06 2.79 2.12 -1.26 -0.85 118.70 127.18 1py0 s GLU 4 Ca 0.00 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.12 1py0 s GLU 4 Cb -0.17 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1py0 s GLU 4 CO -0.03 0.20 -0.15 0.08 -0.54 0.00 0.00 175.26 174.82 1py0 s VAL 5 N 0.37 1.31 -0.14 3.70 1.01 1.00 -4.59 120.40 123.05 1py0 s VAL 5 Ca 0.33 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1py0 s VAL 5 Cb -0.18 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1py0 s VAL 5 CO 0.17 0.39 0.11 -1.00 0.00 0.00 0.00 175.10 174.76 1py0 s HIS 6 N 0.35 3.44 -0.37 5.22 3.76 0.94 -0.85 115.29 127.78 1py0 s HIS 6 Ca -0.10 0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 55.03 1py0 s HIS 6 Cb -0.14 -1.99 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 1py0 s HIS 6 CO 0.03 0.50 0.27 -1.64 -0.85 0.00 0.00 174.74 173.05 1py0 s MET 7 N -0.45 3.31 0.04 1.40 -1.94 0.02 -0.46 119.30 121.22 1py0 s MET 7 Ca 0.11 -0.77 0.05 0.00 -1.71 0.00 0.00 55.69 53.37 1py0 s MET 7 Cb -0.12 -3.87 -0.02 0.00 2.01 0.00 0.00 34.83 32.83 1py0 s MET 7 CO 0.02 -0.56 -0.13 -0.51 -0.01 0.00 0.00 175.02 173.82 1py0 s LEU 8 N 1.72 2.18 0.45 -0.03 1.43 -0.55 -2.36 118.68 121.53 1py0 s LEU 8 Ca 0.06 -0.47 0.24 0.00 -1.03 0.00 0.00 54.13 52.93 1py0 s LEU 8 Cb -0.18 -0.55 1.06 0.00 0.03 0.00 0.00 46.19 46.54 1py0 s LEU 8 CO 0.10 0.01 1.90 0.78 0.23 0.00 0.00 176.35 179.37 1py0 h ASN 9 N 4.87 0.00 -4.14 2.29 2.35 -1.92 -1.76 115.58 117.26 1py0 h ASN 9 Ca -0.38 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.23 1py0 h ASN 9 Cb 1.18 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.31 1py0 h ASN 9 CO 0.43 0.22 -0.36 -0.54 -1.65 0.00 0.00 177.43 175.54 1py0 s LYS 10 N -3.88 0.42 0.00 0.81 1.02 -1.26 -1.35 119.74 115.50 1py0 s LYS 10 Ca -0.01 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.22 1py0 s LYS 10 Cb 0.12 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1py0 s LYS 10 CO 0.63 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 1py0 n GLY 11 N 2.49 3.19 0.31 -3.33 0.00 0.61 -4.90 105.19 103.57 1py0 n GLY 11 Ca -0.15 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.21 1py0 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1py0 h ALA 12 N 1.97 1.22 -0.36 4.61 0.00 -2.01 -2.47 119.26 122.22 1py0 h ALA 12 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1py0 h ALA 12 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1py0 h ALA 12 CO 0.00 0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.76 1py0 n GLU 13 N -4.72 2.25 0.00 0.00 -0.58 -1.26 -5.04 120.64 111.28 1py0 n GLU 13 Ca 0.14 -1.90 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1py0 n GLU 13 Cb 0.29 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1py0 n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1py0 n GLY 14 N 1.38 0.06 3.83 0.62 0.00 -0.93 -5.04 105.19 105.11 1py0 n GLY 14 Ca 0.18 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1py0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1py0 s ALA 15 N -2.00 3.39 -0.49 4.61 0.00 -1.26 -0.28 121.76 125.73 1py0 s ALA 15 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.86 1py0 s ALA 15 Cb 0.00 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.38 1py0 s ALA 15 CO 0.00 0.35 0.62 -1.33 0.00 0.00 0.00 175.76 175.40 1py0 n MET 16 N 0.26 -2.14 -4.26 0.00 2.81 -0.46 -4.78 117.12 108.55 1py0 n MET 16 Ca -0.00 1.88 -0.20 0.00 -1.81 0.00 0.00 57.70 57.57 1py0 n MET 16 Cb 0.52 -4.95 -0.12 0.00 -0.71 0.00 0.00 33.22 27.96 1py0 n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1py0 s VAL 17 N -2.48 1.48 -0.09 2.03 -7.23 -0.66 -3.34 120.40 110.12 1py0 s VAL 17 Ca 0.23 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.63 1py0 s VAL 17 Cb -0.05 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 1py0 s VAL 17 CO 0.79 -0.28 0.28 -0.36 -0.31 0.00 0.00 175.10 175.22 1py0 s PHE 18 N -1.76 3.61 -0.20 2.82 0.40 -1.26 -1.48 117.98 120.11 1py0 s PHE 18 Ca 0.08 0.72 0.01 0.00 -0.60 0.00 0.00 56.93 57.13 1py0 s PHE 18 Cb -0.07 -2.18 0.05 0.00 0.51 0.00 0.00 43.02 41.32 1py0 s PHE 18 CO 0.04 0.56 -0.08 -1.21 0.70 0.00 0.00 175.22 175.23 1py0 s GLU 19 N -0.62 1.83 0.71 0.44 2.02 0.39 -2.70 118.70 120.78 1py0 s GLU 19 Ca 0.19 -0.80 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 1py0 s GLU 19 Cb -0.14 -2.36 0.03 0.00 0.10 0.00 0.00 34.13 31.76 1py0 s GLU 19 CO 0.07 -0.46 1.08 -1.25 0.02 0.00 0.00 175.26 174.73 1py0 s PRO 20 N 1.45 2.62 -0.00 0.39 0.04 -1.26 -0.04 135.00 138.19 1py0 s PRO 20 Ca -0.02 0.27 0.10 0.00 0.04 0.00 0.00 61.00 61.40 1py0 s PRO 20 Cb -0.16 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 1py0 s PRO 20 CO -0.08 -1.13 0.42 0.00 0.04 0.00 0.00 177.00 176.26 1py0 n ALA 21 N -3.01 3.28 -2.61 8.56 0.00 -1.10 -4.69 120.51 120.94 1py0 n ALA 21 Ca 0.07 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 1py0 n ALA 21 Cb 0.58 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 1py0 n ALA 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1py0 s TYR 22 N -2.04 3.24 -0.35 0.00 5.04 -1.26 0.39 117.35 122.37 1py0 s TYR 22 Ca 0.03 0.73 -0.05 0.00 -2.44 0.00 0.00 57.07 55.34 1py0 s TYR 22 Cb 0.08 -2.95 0.06 0.00 0.35 0.00 0.00 41.96 39.50 1py0 s TYR 22 CO 0.43 -0.42 0.12 0.42 -1.34 0.00 0.00 175.55 174.76 1py0 s ILE 23 N 2.61 3.53 -0.30 3.14 1.09 0.11 -4.99 121.20 126.40 1py0 s ILE 23 Ca 0.27 -1.43 -0.22 0.00 -1.10 0.00 0.00 60.65 58.17 1py0 s ILE 23 Cb -0.15 -3.12 -0.01 0.00 -1.06 0.00 0.00 42.46 38.13 1py0 s ILE 23 CO 0.10 -0.31 0.70 -0.75 -0.10 0.00 0.00 174.94 174.58 1py0 s LYS 24 N 1.31 3.97 0.14 2.79 2.20 -1.26 -0.26 119.74 128.63 1py0 s LYS 24 Ca 0.00 0.47 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 1py0 s LYS 24 Cb -0.21 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1py0 s LYS 24 CO 0.00 -0.59 -0.04 0.00 -0.36 0.00 0.00 175.35 174.36 1py0 s ALA 25 N 2.73 1.25 0.16 3.13 0.00 -0.08 -4.97 121.76 123.99 1py0 s ALA 25 Ca 0.28 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1py0 s ALA 25 Cb -0.15 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1py0 s ALA 25 CO 0.11 -0.24 0.24 -0.80 0.00 0.00 0.00 175.76 175.07 1py0 s ASN 26 N -3.13 6.06 0.36 0.00 0.02 -1.26 -1.18 114.94 115.81 1py0 s ASN 26 Ca 0.18 0.06 -0.28 0.00 -1.02 0.00 0.00 52.86 51.80 1py0 s ASN 26 Cb 0.05 -1.75 -0.11 0.00 0.02 0.00 0.00 41.25 39.46 1py0 s ASN 26 CO 0.00 0.05 1.52 -2.84 0.02 0.00 0.00 177.10 175.85 1py0 s PRO 27 N -3.25 4.10 0.00 -0.60 0.02 -1.26 -1.89 135.00 132.12 1py0 s PRO 27 Ca 0.33 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.95 1py0 s PRO 27 Cb -0.11 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1py0 s PRO 27 CO 0.27 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1py0 n GLY 28 N 0.81 1.43 3.70 0.52 0.00 -0.13 -4.98 105.19 106.54 1py0 n GLY 28 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1py0 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1py0 s ASP 29 N -2.67 3.05 0.19 1.61 -0.00 -0.79 -4.61 116.67 113.45 1py0 s ASP 29 Ca 0.00 1.33 0.10 0.00 -0.00 0.00 0.00 52.55 53.99 1py0 s ASP 29 Cb 0.00 -2.01 -0.04 0.00 -0.00 0.00 0.00 42.92 40.87 1py0 s ASP 29 CO 0.00 -2.88 -0.22 0.42 -0.00 0.00 0.00 175.17 172.49 1py0 s THR 30 N -2.95 2.17 -0.15 -1.27 -4.23 0.55 -1.74 115.64 108.01 1py0 s THR 30 Ca 0.64 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1py0 s THR 30 Cb -0.18 -2.04 0.05 0.00 1.34 0.00 0.00 72.50 71.66 1py0 s THR 30 CO 0.57 -0.22 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.74 1py0 s VAL 31 N -1.89 0.69 -0.24 2.29 1.01 0.38 -0.45 120.40 122.19 1py0 s VAL 31 Ca 0.20 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1py0 s VAL 31 Cb -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1py0 s VAL 31 CO 0.09 0.02 0.10 -0.89 0.00 0.00 0.00 175.10 174.42 1py0 s THR 32 N 1.81 4.76 -0.23 3.92 2.01 -0.03 -0.52 115.64 127.36 1py0 s THR 32 Ca 0.01 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 1py0 s THR 32 Cb -0.15 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1py0 s THR 32 CO -0.07 0.35 0.21 -0.36 -0.69 0.00 0.00 174.62 174.06 1py0 s PHE 33 N 1.25 3.33 -0.20 4.92 0.40 0.42 -0.00 117.98 128.10 1py0 s PHE 33 Ca 0.06 0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1py0 s PHE 33 Cb -0.14 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.07 1py0 s PHE 33 CO 0.05 0.05 -0.14 0.42 0.70 0.00 0.00 175.22 176.29 1py0 s ILE 34 N 1.12 2.56 -1.27 0.64 -1.09 -0.03 -1.50 121.20 121.63 1py0 s ILE 34 Ca 0.10 -0.77 -0.19 0.00 -2.23 0.00 0.00 60.65 57.55 1py0 s ILE 34 Cb -0.14 -2.12 0.02 0.00 -1.58 0.00 0.00 42.46 38.65 1py0 s ILE 34 CO 0.05 0.49 1.82 -0.81 -1.23 0.00 0.00 174.94 175.26 1py0 n PRO 35 N 4.69 2.74 -0.11 2.79 -0.04 -1.26 -0.80 135.00 143.01 1py0 n PRO 35 Ca -0.20 -3.01 -0.10 0.00 -0.04 0.00 0.00 63.50 60.14 1py0 n PRO 35 Cb 0.50 -3.54 -0.03 0.00 -0.04 0.00 0.00 33.50 30.40 1py0 n PRO 35 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1py0 h VAL 36 N 5.63 1.23 -2.88 0.52 2.07 -1.89 -3.42 116.25 117.52 1py0 h VAL 36 Ca 0.39 -0.80 -0.60 0.00 0.82 0.00 0.00 66.70 66.52 1py0 h VAL 36 Cb 0.87 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1py0 h VAL 36 CO 1.43 0.27 -0.56 -1.81 0.02 0.00 0.00 177.57 176.91 1py0 s ASP 37 N -5.94 5.68 0.58 0.57 -0.00 -0.99 -5.06 116.67 111.51 1py0 s ASP 37 Ca -0.13 -0.02 -0.17 0.00 -0.00 0.00 0.00 52.55 52.22 1py0 s ASP 37 Cb 0.09 -1.55 -0.04 0.00 -0.00 0.00 0.00 42.92 41.42 1py0 s ASP 37 CO 0.75 0.11 1.09 -0.54 -0.00 0.00 0.00 175.17 176.59 1py0 s LYS 38 N -2.81 3.27 0.00 8.23 1.02 -1.26 -4.29 119.74 123.90 1py0 s LYS 38 Ca 0.31 1.41 0.00 0.00 0.02 0.00 0.00 55.97 57.71 1py0 s LYS 38 Cb -0.11 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1py0 s LYS 38 CO 0.24 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1py0 n GLY 39 N -0.36 0.84 3.63 -3.33 0.00 -1.26 -4.97 105.19 99.74 1py0 n GLY 39 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1py0 n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1py0 s HIS 40 N -2.04 2.70 0.10 1.61 3.76 -1.26 -4.86 115.29 115.29 1py0 s HIS 40 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1py0 s HIS 40 Cb 0.00 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.44 1py0 s HIS 40 CO 0.00 0.58 0.13 0.27 -0.85 0.00 0.00 174.74 174.87 1py0 n ASN 41 N -0.52 -0.36 -3.88 1.40 6.94 -1.26 -0.49 115.26 117.09 1py0 n ASN 41 Ca -0.08 -1.57 -0.15 0.00 -0.02 0.00 0.00 54.58 52.76 1py0 n ASN 41 Cb 0.57 0.69 -0.15 0.00 -2.36 0.00 0.00 39.78 38.53 1py0 n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1py0 s VAL 42 N -2.51 0.20 -0.05 3.53 0.11 -1.26 -4.03 120.40 116.39 1py0 s VAL 42 Ca 0.09 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.06 1py0 s VAL 42 Cb -0.00 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1py0 s VAL 42 CO 0.07 0.09 0.11 -0.70 -3.33 0.00 0.00 175.10 171.34 1py0 s GLU 43 N 0.31 0.11 0.23 1.54 2.12 0.60 0.31 118.70 123.92 1py0 s GLU 43 Ca -0.03 0.20 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 1py0 s GLU 43 Cb -0.05 -0.00 -0.09 0.00 0.26 0.00 0.00 34.13 34.25 1py0 s GLU 43 CO -0.01 -0.05 1.24 -1.54 -0.54 0.00 0.00 175.26 174.36 1py0 s SER 44 N 0.33 7.00 0.08 -1.70 1.04 -0.65 -0.29 113.70 119.50 1py0 s SER 44 Ca -0.02 2.38 -0.29 0.00 0.48 0.00 0.00 55.95 58.49 1py0 s SER 44 Cb -0.03 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 1py0 s SER 44 CO -0.01 -0.41 0.93 -0.63 0.98 0.00 0.00 173.24 174.10 1py0 s ILE 45 N -0.37 4.60 -0.13 -1.02 1.01 -0.70 -4.82 121.20 119.77 1py0 s ILE 45 Ca 0.52 2.00 -0.39 0.00 0.00 0.00 0.00 60.65 62.78 1py0 s ILE 45 Cb -0.35 -4.29 -0.16 0.00 0.01 0.00 0.00 42.46 37.67 1py0 s ILE 45 CO 0.41 0.30 1.58 1.17 0.00 0.00 0.00 174.94 178.39 1py0 n LYS 46 N 2.99 1.14 -1.38 2.79 4.81 -1.26 -0.71 118.16 126.54 1py0 n LYS 46 Ca 0.02 0.42 -0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1py0 n LYS 46 Cb 0.50 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.41 1py0 n LYS 46 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1py0 n ASP 47 N 4.19 -5.02 -1.77 3.14 4.64 -1.26 -4.90 116.55 115.57 1py0 n ASP 47 Ca 0.23 0.33 -0.18 0.00 -1.38 0.00 0.00 54.79 53.79 1py0 n ASP 47 Cb 0.15 -3.69 0.06 0.00 -1.04 0.00 0.00 41.12 36.60 1py0 n ASP 47 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 1py0 n MET 48 N -2.05 3.20 -4.30 -0.67 0.00 0.11 -4.90 117.12 108.52 1py0 n MET 48 Ca -0.13 -3.99 -0.17 0.00 0.00 0.00 0.00 57.70 53.40 1py0 n MET 48 Cb 0.51 -2.14 -0.10 0.00 0.00 0.00 0.00 33.22 31.48 1py0 n MET 48 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1py0 s ILE 49 N -4.32 1.50 0.44 2.02 -4.36 -1.26 -0.11 121.20 115.11 1py0 s ILE 49 Ca 0.48 -2.07 -0.25 0.00 -0.26 0.00 0.00 60.65 58.56 1py0 s ILE 49 Cb 0.40 -1.88 -0.08 0.00 1.25 0.00 0.00 42.46 42.15 1py0 s ILE 49 CO 0.02 -0.60 1.31 -2.84 0.24 0.00 0.00 174.94 173.07 1py0 s PRO 50 N -3.46 3.79 0.11 0.37 0.02 -1.22 -4.89 135.00 129.72 1py0 s PRO 50 Ca 0.18 2.15 -0.31 0.00 0.02 0.00 0.00 61.00 63.04 1py0 s PRO 50 Cb -0.01 -2.63 -0.11 0.00 0.02 0.00 0.00 34.50 31.77 1py0 s PRO 50 CO 0.04 -0.64 1.85 0.00 -0.33 0.00 0.00 177.00 177.93 1py0 n GLY 52 N 4.26 1.21 3.85 0.00 0.00 -1.26 -5.02 105.19 108.23 1py0 n GLY 52 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1py0 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1py0 s ALA 53 N -1.58 3.10 -0.07 4.61 0.00 0.01 -4.88 121.76 122.95 1py0 s ALA 53 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1py0 s ALA 53 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1py0 s ALA 53 CO 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 175.76 175.56 1py0 s LYS 55 N -1.02 1.66 0.11 0.00 -2.85 -1.26 -5.05 119.74 111.34 1py0 s LYS 55 Ca 0.15 1.43 -0.21 0.00 -1.00 0.00 0.00 55.97 56.33 1py0 s LYS 55 Cb -0.11 -1.81 0.05 0.00 -2.06 0.00 0.00 37.83 33.90 1py0 s LYS 55 CO 0.04 -2.13 0.52 -0.59 0.10 0.00 0.00 175.35 173.28 1py0 s PHE 56 N -2.66 -0.40 -0.26 1.78 -0.71 -1.26 -5.03 117.98 109.43 1py0 s PHE 56 Ca 0.65 0.25 -0.02 0.00 -1.04 0.00 0.00 56.93 56.78 1py0 s PHE 56 Cb -0.21 0.40 0.15 0.00 -1.21 0.00 0.00 43.02 42.15 1py0 s PHE 56 CO 0.55 -0.74 0.47 0.21 -1.34 0.00 0.00 175.22 174.37 1py0 s LYS 57 N -3.32 0.43 0.90 1.99 2.20 -1.26 -1.64 119.74 119.05 1py0 s LYS 57 Ca -0.01 0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 56.21 1py0 s LYS 57 Cb 0.00 -0.06 0.13 0.00 -1.51 0.00 0.00 37.83 36.39 1py0 s LYS 57 CO -0.09 -0.63 1.12 -1.54 -0.36 0.00 0.00 175.35 173.86 1py0 s SER 58 N 2.67 3.54 0.31 1.43 1.04 0.15 -4.99 113.70 117.85 1py0 s SER 58 Ca 0.16 1.07 -0.15 0.00 0.48 0.00 0.00 55.95 57.51 1py0 s SER 58 Cb -0.15 -1.69 -0.09 0.00 0.10 0.00 0.00 66.02 64.19 1py0 s SER 58 CO -0.18 -2.54 0.71 -0.54 0.98 0.00 0.00 173.24 171.67 1py0 s LYS 59 N -5.20 3.99 0.20 4.02 -0.14 -1.26 -4.52 119.74 116.84 1py0 s LYS 59 Ca 0.63 0.63 -0.32 0.00 -1.36 0.00 0.00 55.97 55.55 1py0 s LYS 59 Cb -0.15 -2.48 -0.14 0.00 -1.68 0.00 0.00 37.83 33.38 1py0 s LYS 59 CO 0.54 0.19 1.50 -0.89 -0.76 0.00 0.00 175.35 175.93 1py0 n ILE 60 N -0.28 0.50 -1.09 2.17 2.08 -1.26 -2.00 119.36 119.48 1py0 n ILE 60 Ca 0.03 -0.12 -0.03 0.00 0.56 0.00 0.00 62.75 63.18 1py0 n ILE 60 Cb 0.53 -1.53 -0.01 0.00 -0.75 0.00 0.00 39.64 37.88 1py0 n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1py0 n ASN 61 N 2.76 -4.83 -4.79 4.38 3.02 0.36 -4.96 115.26 111.19 1py0 n ASN 61 Ca 0.14 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.38 1py0 n ASN 61 Cb 0.30 -2.59 -0.06 0.00 -0.61 0.00 0.00 39.78 36.82 1py0 n ASN 61 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1py0 s GLU 62 N -1.68 4.17 -0.34 3.52 2.12 -0.85 -4.81 118.70 120.83 1py0 s GLU 62 Ca 0.00 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 55.62 1py0 s GLU 62 Cb 0.00 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 1py0 s GLU 62 CO 0.00 0.50 1.69 1.21 -0.54 0.00 0.00 175.26 178.12 1py0 s ASN 63 N -0.55 6.03 -0.13 -1.70 2.47 -1.26 -4.45 114.94 115.35 1py0 s ASN 63 Ca 0.27 1.20 0.02 0.00 0.42 0.00 0.00 52.86 54.77 1py0 s ASN 63 Cb -0.17 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.11 1py0 s ASN 63 CO 0.15 -1.61 -0.18 -0.47 -3.72 0.00 0.00 177.10 171.27 1py0 s TYR 64 N 6.42 2.32 -0.16 0.43 5.04 -0.56 -4.97 117.35 125.87 1py0 s TYR 64 Ca 0.75 -1.17 -0.03 0.00 -2.44 0.00 0.00 57.07 54.18 1py0 s TYR 64 Cb -0.20 -1.63 -0.02 0.00 0.35 0.00 0.00 41.96 40.46 1py0 s TYR 64 CO 0.33 -0.58 -0.06 0.08 -1.34 0.00 0.00 175.55 173.99 1py0 s VAL 65 N 1.00 3.65 -0.11 3.14 1.01 -1.26 -0.43 120.40 127.40 1py0 s VAL 65 Ca -0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1py0 s VAL 65 Cb -0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1py0 s VAL 65 CO -0.04 0.49 -0.03 -0.22 0.00 0.00 0.00 175.10 175.30 1py0 s LEU 66 N 0.54 3.35 -0.33 3.92 2.96 0.33 -4.95 118.68 124.50 1py0 s LEU 66 Ca -0.04 -0.00 -0.10 0.00 -0.22 0.00 0.00 54.13 53.76 1py0 s LEU 66 Cb -0.15 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1py0 s LEU 66 CO 0.03 0.29 0.18 -0.89 -1.32 0.00 0.00 176.35 174.64 1py0 s THR 67 N -0.39 4.74 -0.89 3.68 2.01 -1.26 -0.47 115.64 123.06 1py0 s THR 67 Ca 0.07 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 1py0 s THR 67 Cb -0.12 -3.45 0.19 0.00 0.01 0.00 0.00 72.50 69.12 1py0 s THR 67 CO 0.02 0.01 0.93 0.68 -0.69 0.00 0.00 174.62 175.57 1py0 s VAL 68 N 1.63 5.31 -0.15 3.82 -7.23 -0.71 -4.80 120.40 118.26 1py0 s VAL 68 Ca 0.05 -2.21 -0.24 0.00 -1.81 0.00 0.00 61.98 57.76 1py0 s VAL 68 Cb -0.17 -4.60 -0.24 0.00 0.56 0.00 0.00 36.38 31.93 1py0 s VAL 68 CO 0.07 -1.22 0.55 0.74 -0.31 0.00 0.00 175.10 174.93 1py0 h THR 69 N 5.09 1.37 -3.26 5.32 2.02 -1.92 -0.31 112.91 121.22 1py0 h THR 69 Ca 0.14 -2.31 -0.55 0.00 0.77 0.00 0.00 66.41 64.46 1py0 h THR 69 Cb 1.02 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 70.28 1py0 h THR 69 CO 0.90 0.52 0.55 -1.58 0.37 0.00 0.00 175.52 176.28 1py0 s GLN 70 N -2.32 4.44 0.72 6.66 2.00 -1.26 -4.15 119.66 125.76 1py0 s GLN 70 Ca -0.22 1.46 -0.16 0.00 -2.00 0.00 0.00 55.36 54.44 1py0 s GLN 70 Cb 0.01 -3.52 0.03 0.00 0.80 0.00 0.00 33.01 30.34 1py0 s GLN 70 CO 0.67 -0.28 1.25 -2.14 -0.50 0.00 0.00 175.29 174.29 1py0 s PRO 71 N 1.79 2.14 0.00 1.67 0.02 -1.26 -4.89 135.00 134.47 1py0 s PRO 71 Ca 0.51 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1py0 s PRO 71 Cb -0.20 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1py0 s PRO 71 CO 0.21 -1.87 0.00 0.41 -0.33 0.00 0.00 177.00 175.42 1py0 n GLY 72 N 0.69 0.54 3.57 0.52 0.00 -0.46 -4.78 105.19 105.28 1py0 n GLY 72 Ca 0.15 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1py0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1py0 s ALA 73 N -1.58 3.07 -0.13 4.61 0.00 -1.26 -0.29 121.76 126.19 1py0 s ALA 73 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1py0 s ALA 73 Cb 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 1py0 s ALA 73 CO 0.00 0.43 -0.19 0.71 0.00 0.00 0.00 175.76 176.71 1py0 s TYR 74 N -0.35 2.69 -0.32 0.00 1.51 0.62 -3.46 117.35 118.03 1py0 s TYR 74 Ca 0.06 -1.00 -0.07 0.00 -1.01 0.00 0.00 57.07 55.04 1py0 s TYR 74 Cb -0.12 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1py0 s TYR 74 CO 0.02 -0.42 0.11 -1.17 -1.11 0.00 0.00 175.55 172.99 1py0 s LEU 75 N 0.54 4.15 0.14 -1.29 2.96 0.85 -0.51 118.68 125.51 1py0 s LEU 75 Ca -0.12 -0.88 0.06 0.00 -0.22 0.00 0.00 54.13 52.98 1py0 s LEU 75 Cb -0.16 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1py0 s LEU 75 CO 0.04 -0.26 0.02 0.68 -1.32 0.00 0.00 176.35 175.51 1py0 s VAL 76 N 1.48 3.94 0.19 1.68 -7.23 -0.41 -1.73 120.40 118.33 1py0 s VAL 76 Ca 0.01 -1.22 0.07 0.00 -1.81 0.00 0.00 61.98 59.03 1py0 s VAL 76 Cb -0.18 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.76 1py0 s VAL 76 CO 0.03 -0.03 -0.14 -1.59 -0.31 0.00 0.00 175.10 173.06 1py0 s LYS 77 N -2.75 1.27 -0.10 4.82 -2.85 0.60 -1.01 119.74 119.72 1py0 s LYS 77 Ca 0.27 -1.54 -0.21 0.00 -1.00 0.00 0.00 55.97 53.49 1py0 s LYS 77 Cb -0.10 -1.04 -0.04 0.00 -2.06 0.00 0.00 37.83 34.59 1py0 s LYS 77 CO 0.19 0.17 0.61 0.00 0.10 0.00 0.00 175.35 176.42 1py0 h THR 79 N 4.78 0.22 0.00 0.00 2.02 -1.89 -1.51 112.91 116.53 1py0 h THR 79 Ca -0.40 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1py0 h THR 79 Cb 1.18 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1py0 h THR 79 CO 0.76 0.00 -0.06 1.55 0.37 0.00 0.00 175.52 178.13 1py0 h PRO 80 N -0.88 0.00 -0.26 6.66 0.13 -1.95 -3.27 132.00 132.42 1py0 h PRO 80 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1py0 h PRO 80 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1py0 h PRO 80 CO 0.02 0.06 0.00 0.72 -0.23 0.00 0.00 178.00 178.57 1py0 n HIS 81 N -3.31 0.37 0.08 1.56 8.25 -1.03 -4.67 115.22 116.46 1py0 n HIS 81 Ca -0.01 -0.52 -0.12 0.00 -0.26 0.00 0.00 57.72 56.81 1py0 n HIS 81 Cb 0.24 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 1py0 n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1py0 h TYR 82 N 1.52 -0.63 0.00 4.41 3.20 -1.34 -0.26 116.97 123.87 1py0 h TYR 82 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1py0 h TYR 82 Cb 0.71 0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1py0 h TYR 82 CO 0.19 -0.33 0.00 0.00 -1.64 0.00 0.00 178.16 176.38 1py0 n ALA 83 N -2.61 1.64 0.95 1.82 0.00 -1.26 -0.86 120.51 120.18 1py0 n ALA 83 Ca -0.05 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1py0 n ALA 83 Cb 0.27 -1.22 0.32 0.00 0.00 0.00 0.00 19.45 18.82 1py0 n ALA 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1py0 n MET 84 N -1.46 2.00 -0.18 0.00 2.81 -0.16 -4.80 117.12 115.33 1py0 n MET 84 Ca 0.04 -1.51 0.00 0.00 -1.81 0.00 0.00 57.70 54.42 1py0 n MET 84 Cb 0.15 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1py0 n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1py0 n GLY 85 N 1.26 0.90 3.48 3.03 0.00 -0.04 -4.84 105.19 108.97 1py0 n GLY 85 Ca 0.17 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1py0 n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1py0 s MET 86 N -0.67 3.54 0.06 1.61 -2.45 -0.86 -4.86 119.30 115.67 1py0 s MET 86 Ca 0.00 -1.51 -0.06 0.00 -1.25 0.00 0.00 55.69 52.87 1py0 s MET 86 Cb 0.00 -4.93 -0.01 0.00 1.25 0.00 0.00 34.83 31.13 1py0 s MET 86 CO 0.00 -1.87 0.10 0.96 1.05 0.00 0.00 175.02 175.26 1py0 s ILE 87 N 3.34 0.16 0.01 10.11 -4.36 -1.26 -1.00 121.20 128.20 1py0 s ILE 87 Ca 0.34 -1.29 0.01 0.00 -0.26 0.00 0.00 60.65 59.46 1py0 s ILE 87 Cb -0.05 -1.20 -0.01 0.00 1.25 0.00 0.00 42.46 42.45 1py0 s ILE 87 CO -0.07 -0.71 -0.04 0.00 0.24 0.00 0.00 174.94 174.36 1py0 s ALA 88 N -3.36 0.29 -0.27 2.27 0.00 -0.18 -4.43 121.76 116.09 1py0 s ALA 88 Ca 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 1py0 s ALA 88 Cb 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1py0 s ALA 88 CO -0.08 0.02 0.13 -1.17 0.00 0.00 0.00 175.76 174.66 1py0 s LEU 89 N -0.47 3.74 -0.26 0.00 2.96 0.16 -1.29 118.68 123.52 1py0 s LEU 89 Ca -0.03 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1py0 s LEU 89 Cb -0.04 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1py0 s LEU 89 CO -0.00 -0.05 0.11 -0.63 -1.32 0.00 0.00 176.35 174.45 1py0 s ILE 90 N 1.68 4.60 -0.41 6.68 1.01 0.33 0.05 121.20 135.14 1py0 s ILE 90 Ca 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1py0 s ILE 90 Cb -0.16 -3.17 0.08 0.00 0.01 0.00 0.00 42.46 39.22 1py0 s ILE 90 CO 0.07 0.31 0.24 0.00 0.00 0.00 0.00 174.94 175.56 1py0 s ALA 91 N 1.66 3.25 -0.30 9.38 0.00 0.64 -0.28 121.76 136.11 1py0 s ALA 91 Ca 0.07 -2.17 -0.11 0.00 0.00 0.00 0.00 51.96 49.75 1py0 s ALA 91 Cb -0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1py0 s ALA 91 CO 0.06 -1.65 0.18 0.08 0.00 0.00 0.00 175.76 174.43 1py0 s VAL 92 N 1.39 5.04 0.22 0.00 1.01 0.61 -0.90 120.40 127.77 1py0 s VAL 92 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1py0 s VAL 92 Cb -0.23 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1py0 s VAL 92 CO 0.01 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1py0 n GLY 93 N 5.04 -2.24 3.74 4.51 0.00 -0.33 -1.35 105.19 114.56 1py0 n GLY 93 Ca -0.14 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 1py0 n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1py0 s ASP 94 N -5.96 4.73 -1.25 1.61 1.01 -1.26 -4.19 116.67 111.36 1py0 s ASP 94 Ca 0.00 2.39 -0.33 0.00 0.71 0.00 0.00 52.55 55.32 1py0 s ASP 94 Cb 0.00 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.38 1py0 s ASP 94 CO 0.00 -1.90 0.63 -1.20 0.21 0.00 0.00 175.17 172.90 1py0 n SER 95 N -2.11 -3.70 -4.66 0.27 7.64 -1.26 -4.72 113.62 105.08 1py0 n SER 95 Ca 0.14 -1.31 -0.48 0.00 1.01 0.00 0.00 58.87 58.22 1py0 n SER 95 Cb 0.50 -1.59 -0.05 0.00 -1.01 0.00 0.00 64.21 62.06 1py0 n SER 95 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1py0 n PRO 96 N -5.07 1.92 -0.01 1.43 -0.04 -1.26 -4.82 135.00 127.15 1py0 n PRO 96 Ca -0.13 0.69 -0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1py0 n PRO 96 Cb 0.57 -2.45 0.23 0.00 -0.04 0.00 0.00 33.50 31.82 1py0 n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1py0 h ALA 97 N 6.22 1.21 -0.55 0.55 0.00 -1.90 -2.74 119.26 122.06 1py0 h ALA 97 Ca -0.46 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1py0 h ALA 97 Cb 1.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1py0 h ALA 97 CO 0.88 0.51 0.00 0.27 0.00 0.00 0.00 179.25 180.91 1py0 n ASN 98 N -4.20 5.52 -0.06 0.00 6.94 -1.26 -4.45 115.26 117.75 1py0 n ASN 98 Ca 0.01 -2.92 -0.12 0.00 -0.02 0.00 0.00 54.58 51.52 1py0 n ASN 98 Cb 0.32 -0.67 -0.06 0.00 -2.36 0.00 0.00 39.78 37.01 1py0 n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1py0 h LEU 99 N 3.78 0.35 -1.00 -4.53 5.85 -1.84 -0.55 115.31 117.36 1py0 h LEU 99 Ca 0.00 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1py0 h LEU 99 Cb 1.91 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.80 1py0 h LEU 99 CO 0.46 0.65 0.65 0.44 -0.34 0.00 0.00 178.44 180.30 1py0 h ASP 100 N 0.04 1.16 0.36 1.25 3.32 -1.83 -1.14 116.42 119.57 1py0 h ASP 100 Ca 0.04 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1py0 h ASP 100 Cb 0.51 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1py0 h ASP 100 CO 0.02 0.85 -0.38 -0.61 -1.72 0.00 0.00 179.24 177.39 1py0 h GLN 101 N 1.36 -0.74 -0.76 3.56 -0.00 -1.83 -1.04 115.11 115.66 1py0 h GLN 101 Ca 0.36 0.05 0.12 0.00 -0.00 0.00 0.00 58.65 59.19 1py0 h GLN 101 Cb -0.14 0.17 -0.08 0.00 0.00 0.00 0.00 27.48 27.43 1py0 h GLN 101 CO -0.08 -0.50 0.36 0.82 0.00 0.00 0.00 178.83 179.44 1py0 h ILE 102 N -0.77 0.75 -0.89 2.39 2.04 -0.76 -0.51 117.51 119.76 1py0 h ILE 102 Ca -0.02 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1py0 h ILE 102 Cb 0.70 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1py0 h ILE 102 CO -0.08 0.10 0.58 0.58 0.00 0.00 0.00 178.15 179.33 1py0 h VAL 103 N 0.56 1.07 0.00 1.67 2.07 -0.85 -2.35 116.25 118.42 1py0 h VAL 103 Ca 0.40 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1py0 h VAL 103 Cb 0.53 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1py0 h VAL 103 CO -0.34 0.19 -0.27 0.28 0.02 0.00 0.00 177.57 177.45 1py0 h SER 104 N 1.02 0.00 -4.23 0.57 0.02 -0.13 -3.47 113.55 107.33 1py0 h SER 104 Ca 0.38 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.81 1py0 h SER 104 Cb 0.18 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.86 1py0 h SER 104 CO -0.14 0.27 0.35 0.00 -1.14 0.00 0.00 176.83 176.17 1py0 s ALA 105 N -3.19 2.20 0.17 3.77 0.00 -0.30 -4.94 121.76 119.47 1py0 s ALA 105 Ca 0.04 0.58 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 1py0 s ALA 105 Cb 0.07 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1py0 s ALA 105 CO 0.69 -1.74 1.40 0.21 0.00 0.00 0.00 175.76 176.32 1py0 s LYS 106 N -4.29 4.31 -0.09 0.00 2.20 -1.26 -5.00 119.74 115.61 1py0 s LYS 106 Ca 0.68 2.16 -0.31 0.00 -0.36 0.00 0.00 55.97 58.14 1py0 s LYS 106 Cb -0.22 -3.19 0.12 0.00 -1.51 0.00 0.00 37.83 33.03 1py0 s LYS 106 CO 0.48 -0.40 1.01 -1.59 -0.36 0.00 0.00 175.35 174.48 1py0 s LYS 107 N 0.45 0.62 0.40 4.03 -2.85 -1.26 -5.14 119.74 115.99 1py0 s LYS 107 Ca 0.62 -0.16 -0.27 0.00 -1.00 0.00 0.00 55.97 55.16 1py0 s LYS 107 Cb -0.39 0.29 -0.09 0.00 -2.06 0.00 0.00 37.83 35.58 1py0 s LYS 107 CO 0.35 -0.26 1.38 -2.14 0.10 0.00 0.00 175.35 174.79 1py0 s PRO 108 N -2.50 3.96 0.26 1.78 0.02 -1.26 -4.75 135.00 132.50 1py0 s PRO 108 Ca 0.05 2.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.37 1py0 s PRO 108 Cb -0.01 -2.81 0.53 0.00 0.02 0.00 0.00 34.50 32.23 1py0 s PRO 108 CO -0.06 -0.56 1.64 0.87 -0.33 0.00 0.00 177.00 178.56 1py0 h LYS 109 N 2.73 0.15 -0.56 5.54 6.56 -1.99 0.14 116.57 129.13 1py0 h LYS 109 Ca -0.50 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.05 1py0 h LYS 109 Cb 1.25 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.85 1py0 h LYS 109 CO 0.63 0.10 0.24 0.82 -2.06 0.00 0.00 179.45 179.17 1py0 h ILE 110 N 0.15 1.20 -0.35 1.86 2.04 -1.90 -0.67 117.51 119.84 1py0 h ILE 110 Ca 0.46 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1py0 h ILE 110 Cb 0.86 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1py0 h ILE 110 CO -0.65 0.24 -0.12 0.58 0.00 0.00 0.00 178.15 178.20 1py0 h VAL 111 N 0.79 1.28 -0.76 1.67 2.07 -1.14 -2.84 116.25 117.32 1py0 h VAL 111 Ca 0.19 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.60 1py0 h VAL 111 Cb 0.13 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1py0 h VAL 111 CO -0.02 0.39 0.42 -0.61 0.02 0.00 0.00 177.57 177.77 1py0 h GLN 112 N 0.49 0.69 -0.08 1.57 5.75 -0.05 -0.64 115.11 122.84 1py0 h GLN 112 Ca 0.09 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1py0 h GLN 112 Cb 0.63 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1py0 h GLN 112 CO 0.04 0.46 -0.09 1.49 -2.65 0.00 0.00 178.83 178.08 1py0 h GLU 113 N 0.71 -0.11 -0.60 1.69 4.22 -1.10 -0.32 114.58 119.05 1py0 h GLU 113 Ca 0.37 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.72 1py0 h GLU 113 Cb 0.35 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1py0 h GLU 113 CO -0.25 -0.08 0.01 0.00 -2.18 0.00 0.00 179.01 176.52 1py0 h ARG 114 N -0.12 1.04 -0.15 1.92 3.08 -1.21 -2.43 114.38 116.51 1py0 h ARG 114 Ca 0.06 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1py0 h ARG 114 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1py0 h ARG 114 CO -0.15 1.01 0.05 1.25 -1.07 0.00 0.00 179.97 181.06 1py0 h LEU 115 N 0.96 0.22 -0.72 3.04 5.85 -0.79 -1.04 115.31 122.83 1py0 h LEU 115 Ca 0.17 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1py0 h LEU 115 Cb 0.53 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1py0 h LEU 115 CO 0.03 0.34 0.20 -0.33 -0.34 0.00 0.00 178.44 178.34 1py0 h GLU 116 N 0.08 1.13 0.11 1.25 5.08 -1.03 -0.94 114.58 120.26 1py0 h GLU 116 Ca 0.05 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1py0 h GLU 116 Cb 0.20 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1py0 h GLU 116 CO -0.00 0.98 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.57 1py0 h LYS 117 N 1.07 -0.37 -0.71 2.33 3.64 -1.29 -0.53 116.57 120.70 1py0 h LYS 117 Ca 0.23 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1py0 h LYS 117 Cb 0.34 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1py0 h LYS 117 CO -0.00 -0.25 0.43 -0.39 -2.27 0.00 0.00 179.45 176.97 1py0 h VAL 118 N -0.38 1.20 0.48 2.00 -1.51 -0.86 -3.01 116.25 114.17 1py0 h VAL 118 Ca 0.03 -0.44 -0.02 0.00 -1.23 0.00 0.00 66.70 65.03 1py0 h VAL 118 Cb 0.40 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 1py0 h VAL 118 CO -0.11 0.21 -0.23 0.40 -1.23 0.00 0.00 177.57 176.61 1py0 h ILE 119 N 0.98 0.50 0.00 7.19 2.04 -0.94 -3.47 117.51 123.81 1py0 h ILE 119 Ca 0.26 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1py0 h ILE 119 Cb -0.04 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1py0 h ILE 119 CO -0.05 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.14