#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj0 s LEU 12 N 0.00 0.06 0.01 1.53 2.96 -1.26 -0.76 118.68 121.22 3hj0 s LEU 12 Ca 0.00 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 3hj0 s LEU 12 Cb 0.00 0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.71 3hj0 s LEU 12 CO 0.00 -0.26 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.29 3hj0 s MET 13 N 2.22 1.22 -0.08 1.98 -2.45 -0.26 -4.39 119.30 117.54 3hj0 s MET 13 Ca 0.04 -0.69 0.03 0.00 -1.25 0.00 0.00 55.69 53.82 3hj0 s MET 13 Cb -0.12 -1.23 0.01 0.00 1.25 0.00 0.00 34.83 34.74 3hj0 s MET 13 CO -0.05 0.32 -0.18 0.08 1.05 0.00 0.00 175.02 176.25 3hj0 s VAL 14 N -0.58 1.58 -0.08 10.11 1.01 -0.94 -0.83 120.40 130.67 3hj0 s VAL 14 Ca 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3hj0 s VAL 14 Cb -0.07 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3hj0 s VAL 14 CO 0.00 0.45 -0.15 -0.75 0.00 0.00 0.00 175.10 174.65 3hj0 s LYS 15 N 0.47 2.08 -0.04 2.72 2.20 -0.14 -0.45 119.74 126.56 3hj0 s LYS 15 Ca -0.16 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 3hj0 s LYS 15 Cb -0.16 -1.66 0.01 0.00 -1.51 0.00 0.00 37.83 34.51 3hj0 s LYS 15 CO 0.06 0.07 -0.10 0.08 -0.36 0.00 0.00 175.35 175.09 3hj0 s VAL 16 N 0.58 0.95 0.14 4.02 1.01 0.06 -0.86 120.40 126.31 3hj0 s VAL 16 Ca -0.16 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.51 3hj0 s VAL 16 Cb -0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3hj0 s VAL 16 CO 0.05 0.30 -0.22 -0.76 0.00 0.00 0.00 175.10 174.47 3hj0 s LEU 17 N 0.45 2.37 -0.27 3.92 1.43 -0.05 -1.16 118.68 125.38 3hj0 s LEU 17 Ca -0.09 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.18 3hj0 s LEU 17 Cb -0.12 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.12 3hj0 s LEU 17 CO 0.02 0.07 0.02 -0.62 0.23 0.00 0.00 176.35 176.06 3hj0 s ASP 18 N -2.31 4.75 0.00 2.29 -1.08 0.27 -0.93 116.67 119.67 3hj0 s ASP 18 Ca 0.13 -0.68 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 3hj0 s ASP 18 Cb -0.08 -1.80 1.28 0.00 -1.46 0.00 0.00 42.92 40.87 3hj0 s ASP 18 CO 0.06 -0.14 1.93 0.00 0.52 0.00 0.00 175.17 177.55 3hj0 n ALA 19 N 4.80 2.52 -0.03 3.66 0.00 -0.08 -1.63 120.51 129.75 3hj0 n ALA 19 Ca -0.16 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 3hj0 n ALA 19 Cb 0.48 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 3hj0 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hj0 h VAL 20 N 0.06 0.86 0.00 0.00 2.07 -1.95 -3.40 116.25 113.89 3hj0 h VAL 20 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3hj0 h VAL 20 Cb 0.41 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3hj0 h VAL 20 CO 0.00 0.63 -1.22 0.54 0.02 0.00 0.00 177.57 177.54 3hj0 n ARG 21 N -3.97 0.46 -2.89 1.57 1.74 -1.24 -5.00 116.66 107.33 3hj0 n ARG 21 Ca -0.30 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.67 3hj0 n ARG 21 Cb 0.87 -1.65 0.06 0.00 -1.02 0.00 0.00 32.46 30.71 3hj0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hj0 n GLY 22 N 1.29 -0.10 3.31 -0.13 0.00 -0.64 -5.04 105.19 103.88 3hj0 n GLY 22 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 3hj0 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hj0 s SER 23 N -3.82 0.00 0.66 1.61 0.01 -1.12 -5.01 113.70 106.04 3hj0 s SER 23 Ca 0.03 -0.69 -0.17 0.00 1.31 0.00 0.00 55.95 56.42 3hj0 s SER 23 Cb -0.00 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.63 3hj0 s SER 23 CO 0.47 -0.85 0.99 -0.81 0.41 0.00 0.00 173.24 173.45 3hj0 n PRO 24 N -0.18 0.73 -3.18 12.44 -0.04 -1.26 -0.56 135.00 142.95 3hj0 n PRO 24 Ca -0.11 0.30 -0.44 0.00 -0.04 0.00 0.00 63.50 63.21 3hj0 n PRO 24 Cb 0.63 -2.23 -0.07 0.00 -0.04 0.00 0.00 33.50 31.80 3hj0 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hj0 s ALA 25 N -1.64 3.39 0.10 0.55 0.00 -0.31 -4.52 121.76 119.34 3hj0 s ALA 25 Ca 0.76 -1.68 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 3hj0 s ALA 25 Cb -0.38 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 3hj0 s ALA 25 CO 0.47 -1.94 0.49 0.42 0.00 0.00 0.00 175.76 175.21 3hj0 s ILE 26 N 2.57 4.93 -1.39 0.00 1.01 -1.26 -4.32 121.20 122.73 3hj0 s ILE 26 Ca 0.15 0.78 -0.08 0.00 0.00 0.00 0.00 60.65 61.51 3hj0 s ILE 26 Cb -0.19 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3hj0 s ILE 26 CO 0.13 0.34 1.03 -3.20 0.00 0.00 0.00 174.94 173.23 3hj0 n ASN 27 N 1.09 -6.28 -4.66 3.58 5.15 -0.37 -4.95 115.26 108.82 3hj0 n ASN 27 Ca -0.08 -0.47 -0.40 0.00 -0.60 0.00 0.00 54.58 53.03 3hj0 n ASN 27 Cb 0.52 -4.95 -0.06 0.00 -0.53 0.00 0.00 39.78 34.76 3hj0 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hj0 s VAL 28 N -3.28 4.99 0.25 3.44 1.01 -1.26 -4.78 120.40 120.77 3hj0 s VAL 28 Ca 0.51 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 3hj0 s VAL 28 Cb -0.22 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 3hj0 s VAL 28 CO 0.63 0.09 1.09 0.00 0.00 0.00 0.00 175.10 176.90 3hj0 s ALA 29 N 2.02 3.39 -0.05 5.51 0.00 -1.26 -1.17 121.76 130.21 3hj0 s ALA 29 Ca 0.30 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.13 3hj0 s ALA 29 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.66 3hj0 s ALA 29 CO 0.10 -0.15 -0.04 0.08 0.00 0.00 0.00 175.76 175.75 3hj0 s VAL 30 N -0.90 0.55 -0.10 0.00 1.01 -0.08 -0.85 120.40 120.03 3hj0 s VAL 30 Ca 0.46 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.36 3hj0 s VAL 30 Cb -0.31 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3hj0 s VAL 30 CO 0.39 0.23 -0.23 -1.00 0.00 0.00 0.00 175.10 174.49 3hj0 s HIS 31 N 1.01 2.53 -0.11 5.22 3.76 -0.23 -1.39 115.29 126.07 3hj0 s HIS 31 Ca -0.10 -1.07 -0.02 0.00 -0.15 0.00 0.00 55.06 53.73 3hj0 s HIS 31 Cb -0.14 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 3hj0 s HIS 31 CO -0.00 -0.44 -0.04 0.08 -0.85 0.00 0.00 174.74 173.49 3hj0 s VAL 32 N 0.42 3.95 0.18 -0.90 1.01 0.12 -0.16 120.40 125.02 3hj0 s VAL 32 Ca -0.17 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.54 3hj0 s VAL 32 Cb -0.18 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3hj0 s VAL 32 CO 0.07 0.55 -0.19 -0.36 0.00 0.00 0.00 175.10 175.18 3hj0 s PHE 33 N -0.30 1.92 -0.04 5.22 0.40 0.29 -0.41 117.98 125.06 3hj0 s PHE 33 Ca 0.05 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 3hj0 s PHE 33 Cb -0.12 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.47 3hj0 s PHE 33 CO 0.02 0.39 -0.12 0.50 0.70 0.00 0.00 175.22 176.71 3hj0 s ARG 34 N -2.93 1.38 0.01 0.44 3.52 -0.19 -0.87 118.95 120.31 3hj0 s ARG 34 Ca 0.18 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 3hj0 s ARG 34 Cb -0.05 -1.22 -0.05 0.00 -1.56 0.00 0.00 34.95 32.07 3hj0 s ARG 34 CO 0.08 0.13 1.33 0.21 -0.81 0.00 0.00 175.30 176.24 3hj0 s LYS 35 N 0.27 4.32 0.76 5.12 2.20 0.01 -1.18 119.74 131.25 3hj0 s LYS 35 Ca -0.06 1.89 -0.08 0.00 -0.36 0.00 0.00 55.97 57.36 3hj0 s LYS 35 Cb -0.11 -3.50 0.10 0.00 -1.51 0.00 0.00 37.83 32.81 3hj0 s LYS 35 CO 0.02 -0.48 1.08 0.00 -0.36 0.00 0.00 175.35 175.60 3hj0 s ALA 36 N 2.00 3.04 0.53 3.13 0.00 0.31 -4.71 121.76 126.06 3hj0 s ALA 36 Ca 0.62 -1.08 0.22 0.00 0.00 0.00 0.00 51.96 51.72 3hj0 s ALA 36 Cb -0.30 -2.57 1.38 0.00 0.00 0.00 0.00 23.12 21.63 3hj0 s ALA 36 CO 0.26 -1.56 2.06 0.00 0.00 0.00 0.00 175.76 176.52 3hj0 h ALA 37 N -0.81 2.26 -0.52 0.00 0.00 -1.95 -0.32 119.26 117.93 3hj0 h ALA 37 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hj0 h ALA 37 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hj0 h ALA 37 CO 0.53 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 3hj0 n ASP 38 N -4.38 2.81 0.00 0.00 5.68 -1.26 -4.92 116.55 114.48 3hj0 n ASP 38 Ca 0.05 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3hj0 n ASP 38 Cb 0.40 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3hj0 n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3hj0 n ASP 39 N 1.04 -1.82 -4.88 -1.12 8.00 -0.13 -5.03 116.55 112.61 3hj0 n ASP 39 Ca 0.18 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.38 3hj0 n ASP 39 Cb 0.45 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3hj0 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hj0 s THR 40 N -2.75 4.80 -0.51 -3.53 -4.23 -1.26 -4.76 115.64 103.39 3hj0 s THR 40 Ca 0.00 0.56 -0.22 0.00 -1.18 0.00 0.00 61.69 60.85 3hj0 s THR 40 Cb 0.00 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.07 3hj0 s THR 40 CO 0.00 -0.81 0.77 0.26 -0.54 0.00 0.00 174.62 174.30 3hj0 s TRP 41 N -2.73 2.94 -0.03 3.99 0.52 -1.26 -0.53 118.94 121.84 3hj0 s TRP 41 Ca 0.51 -0.21 -0.18 0.00 0.02 0.00 0.00 56.10 56.25 3hj0 s TRP 41 Cb -0.10 -3.75 -0.05 0.00 -1.15 0.00 0.00 33.47 28.41 3hj0 s TRP 41 CO 0.42 -1.14 0.50 -1.21 0.02 0.00 0.00 176.95 175.53 3hj0 s GLU 42 N 3.25 4.19 0.26 4.98 2.02 -0.33 -4.85 118.70 128.23 3hj0 s GLU 42 Ca 0.24 0.55 -0.31 0.00 0.02 0.00 0.00 54.97 55.46 3hj0 s GLU 42 Cb -0.15 -3.32 -0.12 0.00 0.10 0.00 0.00 34.13 30.64 3hj0 s GLU 42 CO 0.17 0.44 1.66 -2.30 0.02 0.00 0.00 175.26 175.25 3hj0 n PRO 43 N 2.59 2.76 -0.03 0.39 -0.02 -1.26 -1.02 135.00 138.41 3hj0 n PRO 43 Ca -0.10 0.99 -0.06 0.00 -2.02 0.00 0.00 63.50 62.31 3hj0 n PRO 43 Cb 0.52 -2.80 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 3hj0 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hj0 n PHE 44 N 2.92 0.00 -3.60 6.00 7.35 0.45 -4.81 117.46 125.77 3hj0 n PHE 44 Ca 0.12 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.76 3hj0 n PHE 44 Cb 0.36 -0.23 -0.02 0.00 0.35 0.00 0.00 39.48 39.95 3hj0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hj0 s ALA 45 N -2.12 -1.88 0.18 3.13 0.00 -0.93 -5.01 121.76 115.13 3hj0 s ALA 45 Ca -0.09 0.85 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 3hj0 s ALA 45 Cb 0.03 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.54 3hj0 s ALA 45 CO 0.12 -0.81 0.46 -1.54 0.00 0.00 0.00 175.76 173.99 3hj0 s SER 46 N -2.61 -0.19 0.00 0.00 1.04 -1.26 0.12 113.70 110.80 3hj0 s SER 46 Ca 0.09 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3hj0 s SER 46 Cb -0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3hj0 s SER 46 CO -0.05 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.78 3hj0 n GLY 47 N -0.30 0.55 3.03 7.32 0.00 -0.49 -4.95 105.19 110.36 3hj0 n GLY 47 Ca -0.10 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 3hj0 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hj0 s LYS 48 N -1.67 0.43 0.44 1.61 -2.85 -1.26 -0.91 119.74 115.53 3hj0 s LYS 48 Ca 0.00 -0.78 -0.24 0.00 -1.00 0.00 0.00 55.97 53.95 3hj0 s LYS 48 Cb 0.00 0.15 -0.08 0.00 -2.06 0.00 0.00 37.83 35.85 3hj0 s LYS 48 CO 0.00 -0.08 1.16 0.95 0.10 0.00 0.00 175.35 177.48 3hj0 s THR 49 N -2.26 3.14 0.27 3.79 -4.23 -0.31 -4.68 115.64 111.36 3hj0 s THR 49 Ca -0.08 0.89 -0.05 0.00 -1.18 0.00 0.00 61.69 61.27 3hj0 s THR 49 Cb -0.04 -3.47 0.06 0.00 1.34 0.00 0.00 72.50 70.39 3hj0 s THR 49 CO -0.04 0.02 0.37 -1.54 -0.54 0.00 0.00 174.62 172.90 3hj0 n SER 50 N -0.27 0.03 0.27 3.99 3.41 -0.12 -1.24 113.62 119.68 3hj0 n SER 50 Ca 0.06 -1.13 0.18 0.00 -0.26 0.00 0.00 58.87 57.72 3hj0 n SER 50 Cb 0.47 -0.28 0.86 0.00 -0.26 0.00 0.00 64.21 65.00 3hj0 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hj0 h GLU 51 N 0.00 0.00 -0.01 4.33 4.39 -1.94 -0.43 114.58 120.93 3hj0 h GLU 51 Ca -0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3hj0 h GLU 51 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3hj0 h GLU 51 CO 0.08 0.00 -0.08 -1.13 -1.16 0.00 0.00 179.01 176.72 3hj0 n SER 52 N -2.90 0.92 0.00 1.42 3.41 -1.26 -4.80 113.62 110.40 3hj0 n SER 52 Ca -0.01 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 3hj0 n SER 52 Cb 0.18 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3hj0 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hj0 n GLY 53 N 1.21 0.45 3.64 5.00 0.00 -0.17 -4.77 105.19 110.55 3hj0 n GLY 53 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3hj0 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hj0 s GLU 54 N -0.21 2.63 -0.20 1.61 2.02 -1.26 -0.76 118.70 122.52 3hj0 s GLU 54 Ca 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.28 3hj0 s GLU 54 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 34.13 31.71 3hj0 s GLU 54 CO 0.00 0.60 -0.05 -1.17 0.02 0.00 0.00 175.26 174.65 3hj0 s LEU 55 N -1.65 2.12 0.26 1.80 2.96 0.40 -0.95 118.68 123.62 3hj0 s LEU 55 Ca 0.20 -0.94 0.09 0.00 -0.22 0.00 0.00 54.13 53.25 3hj0 s LEU 55 Cb -0.11 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 3hj0 s LEU 55 CO 0.11 -0.21 0.08 -1.00 -1.32 0.00 0.00 176.35 174.00 3hj0 s HIS 56 N 1.50 2.85 -0.12 5.38 3.76 -1.26 -2.21 115.29 125.19 3hj0 s HIS 56 Ca -0.03 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 3hj0 s HIS 56 Cb -0.17 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.23 3hj0 s HIS 56 CO -0.07 0.58 0.00 0.41 -0.85 0.00 0.00 174.74 174.80 3hj0 n GLY 57 N -1.01 0.47 0.26 -2.22 0.00 -1.26 -4.94 105.19 96.49 3hj0 n GLY 57 Ca -0.07 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 3hj0 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hj0 h LEU 58 N 0.00 0.84 0.00 0.99 3.38 -1.87 -3.47 115.31 115.19 3hj0 h LEU 58 Ca -0.02 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 3hj0 h LEU 58 Cb 0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3hj0 h LEU 58 CO 0.03 0.84 -0.07 1.07 0.09 0.00 0.00 178.44 180.41 3hj0 n THR 59 N -4.41 0.00 -4.31 0.22 5.66 -1.26 -4.77 114.28 105.41 3hj0 n THR 59 Ca 0.03 -0.90 -0.17 0.00 -3.05 0.00 0.00 64.05 59.96 3hj0 n THR 59 Cb 0.22 0.56 -0.10 0.00 -1.55 0.00 0.00 70.33 69.46 3hj0 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hj0 s THR 60 N -2.63 1.51 0.39 1.09 -4.23 -1.26 -4.63 115.64 105.89 3hj0 s THR 60 Ca 0.15 -2.15 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 3hj0 s THR 60 Cb -0.01 -1.96 0.23 0.00 1.34 0.00 0.00 72.50 72.10 3hj0 s THR 60 CO 0.11 -0.65 2.00 -0.08 -0.54 0.00 0.00 174.62 175.45 3hj0 h GLU 61 N 2.66 0.48 -0.42 3.99 4.81 -2.00 -0.54 114.58 123.56 3hj0 h GLU 61 Ca -0.37 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 3hj0 h GLU 61 Cb 1.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3hj0 h GLU 61 CO 0.62 0.39 -0.03 0.93 -0.73 0.00 0.00 179.01 180.19 3hj0 h GLU 62 N 0.49 0.76 0.00 1.92 5.08 -2.04 -3.23 114.58 117.56 3hj0 h GLU 62 Ca 0.12 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 3hj0 h GLU 62 Cb 0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3hj0 h GLU 62 CO -0.01 0.85 -0.71 0.93 -1.00 0.00 0.00 179.01 179.07 3hj0 h GLU 63 N 0.59 0.00 -4.21 2.33 5.08 -1.86 -3.38 114.58 113.13 3hj0 h GLU 63 Ca 0.11 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.74 3hj0 h GLU 63 Cb 0.53 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.66 3hj0 h GLU 63 CO 0.03 0.55 2.20 0.34 -1.00 0.00 0.00 179.01 181.12 3hj0 n PHE 64 N -3.20 3.74 -2.04 4.33 7.35 -0.25 -4.94 117.46 122.45 3hj0 n PHE 64 Ca 0.00 -2.96 -0.28 0.00 -0.76 0.00 0.00 57.45 53.45 3hj0 n PHE 64 Cb 0.78 -2.25 0.14 0.00 0.35 0.00 0.00 39.48 38.51 3hj0 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3hj0 s VAL 65 N 1.87 2.05 0.59 -2.13 -7.23 -1.26 -4.93 120.40 109.35 3hj0 s VAL 65 Ca 0.44 -0.11 -0.19 0.00 -1.81 0.00 0.00 61.98 60.31 3hj0 s VAL 65 Cb 0.07 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3hj0 s VAL 65 CO -0.01 0.00 1.12 1.21 -0.31 0.00 0.00 175.10 177.11 3hj0 n GLU 66 N -3.47 1.14 0.00 4.82 0.00 -1.26 -4.78 120.64 117.09 3hj0 n GLU 66 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 57.16 57.72 3hj0 n GLU 66 Cb 0.60 -2.33 0.00 0.00 0.00 0.00 0.00 31.44 29.71 3hj0 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hj0 n GLY 67 N 1.09 -0.92 3.58 8.31 0.00 -1.04 -5.01 105.19 111.20 3hj0 n GLY 67 Ca 0.13 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 3hj0 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hj0 s ILE 68 N -2.00 5.14 0.07 -0.61 1.01 -1.26 -0.98 121.20 122.56 3hj0 s ILE 68 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.82 3hj0 s ILE 68 Cb 0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3hj0 s ILE 68 CO 0.00 0.28 -0.10 -0.31 0.00 0.00 0.00 174.94 174.81 3hj0 s TYR 69 N 1.61 2.75 -0.16 3.97 1.51 -0.02 -0.81 117.35 126.19 3hj0 s TYR 69 Ca 0.07 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 3hj0 s TYR 69 Cb -0.15 -1.48 0.03 0.00 -0.11 0.00 0.00 41.96 40.24 3hj0 s TYR 69 CO 0.09 0.38 -0.14 0.21 -1.11 0.00 0.00 175.55 174.98 3hj0 s LYS 70 N -1.87 2.30 -0.39 -0.62 2.20 -0.05 -1.26 119.74 120.05 3hj0 s LYS 70 Ca 0.19 -0.65 -0.14 0.00 -0.36 0.00 0.00 55.97 55.01 3hj0 s LYS 70 Cb -0.11 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 3hj0 s LYS 70 CO 0.11 -0.28 0.28 0.08 -0.36 0.00 0.00 175.35 175.18 3hj0 s VAL 71 N 1.45 5.23 -0.29 4.02 1.01 0.49 -0.55 120.40 131.76 3hj0 s VAL 71 Ca 0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3hj0 s VAL 71 Cb -0.14 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3hj0 s VAL 71 CO -0.10 -0.23 0.16 -0.70 0.00 0.00 0.00 175.10 174.23 3hj0 s GLU 72 N 1.68 3.73 -0.27 2.72 2.12 0.77 -0.68 118.70 128.78 3hj0 s GLU 72 Ca 0.05 -0.46 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 3hj0 s GLU 72 Cb -0.19 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 3hj0 s GLU 72 CO 0.10 -0.26 0.12 0.42 -0.54 0.00 0.00 175.26 175.10 3hj0 s ILE 73 N 1.70 4.67 -1.35 -3.70 1.01 0.38 -1.07 121.20 122.84 3hj0 s ILE 73 Ca 0.06 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 3hj0 s ILE 73 Cb -0.16 -3.23 0.10 0.00 0.01 0.00 0.00 42.46 39.18 3hj0 s ILE 73 CO 0.09 0.26 1.94 0.47 0.00 0.00 0.00 174.94 177.70 3hj0 n ASP 74 N 4.98 4.59 -0.09 3.58 8.00 -0.03 -1.21 116.55 136.37 3hj0 n ASP 74 Ca -0.15 -2.96 -0.07 0.00 0.71 0.00 0.00 54.79 52.33 3hj0 n ASP 74 Cb 0.51 -1.60 0.11 0.00 -0.02 0.00 0.00 41.12 40.12 3hj0 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3hj0 h THR 75 N 4.24 1.26 -0.36 -3.53 1.35 -1.86 -2.25 112.91 111.76 3hj0 h THR 75 Ca 0.46 -1.24 -0.04 0.00 -0.55 0.00 0.00 66.41 65.05 3hj0 h THR 75 Cb 0.70 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 3hj0 h THR 75 CO 1.66 0.42 0.07 0.50 -0.25 0.00 0.00 175.52 177.92 3hj0 h LYS 76 N 0.69 0.59 -0.85 4.72 3.64 -1.65 -1.19 116.57 122.52 3hj0 h LYS 76 Ca 0.11 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3hj0 h LYS 76 Cb 0.65 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3hj0 h LYS 76 CO 0.05 0.65 0.56 0.77 -2.27 0.00 0.00 179.45 179.20 3hj0 h SER 77 N 0.44 0.99 0.45 4.20 0.02 -1.77 0.47 113.55 118.35 3hj0 h SER 77 Ca 0.11 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3hj0 h SER 77 Cb 0.33 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3hj0 h SER 77 CO 0.00 0.72 -0.23 0.22 -1.14 0.00 0.00 176.83 176.41 3hj0 h TYR 78 N 1.16 -0.58 -0.50 3.45 3.20 -0.93 -1.75 116.97 121.01 3hj0 h TYR 78 Ca 0.31 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.09 3hj0 h TYR 78 Cb -0.12 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3hj0 h TYR 78 CO 0.00 -0.36 -0.00 -1.49 -1.64 0.00 0.00 178.16 174.66 3hj0 h TRP 79 N -0.62 0.97 -0.84 -3.82 4.06 -0.97 -2.87 115.95 111.86 3hj0 h TRP 79 Ca -0.06 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 60.72 3hj0 h TRP 79 Cb 0.48 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 3hj0 h TRP 79 CO -0.05 0.91 0.52 0.87 -3.56 0.00 0.00 178.44 177.13 3hj0 h LYS 80 N 0.76 1.13 0.00 0.49 1.57 -0.79 -0.94 116.57 118.78 3hj0 h LYS 80 Ca 0.14 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hj0 h LYS 80 Cb 0.53 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3hj0 h LYS 80 CO 0.03 0.78 -0.04 0.00 -0.57 0.00 0.00 179.45 179.64 3hj0 h ALA 81 N 1.42 1.08 -0.08 3.86 0.00 -1.10 -0.15 119.26 124.29 3hj0 h ALA 81 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hj0 h ALA 81 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hj0 h ALA 81 CO -0.06 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3hj0 n LEU 82 N -3.25 2.02 -0.09 0.00 4.77 -0.47 -4.95 117.00 115.02 3hj0 n LEU 82 Ca -0.01 -0.73 -0.01 0.00 -0.03 0.00 0.00 56.01 55.23 3hj0 n LEU 82 Cb 0.23 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hj0 n LEU 82 CO 0.26 0.36 -0.01 0.61 -1.33 0.00 0.00 177.39 177.29 3hj0 n GLY 83 N 1.23 0.45 3.57 -0.72 0.00 -0.07 -5.04 105.19 104.62 3hj0 n GLY 83 Ca 0.17 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 3hj0 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hj0 s ILE 84 N -2.04 3.66 -0.55 -0.61 -1.09 -0.52 -4.99 121.20 115.05 3hj0 s ILE 84 Ca 0.00 -0.49 -0.19 0.00 -2.23 0.00 0.00 60.65 57.74 3hj0 s ILE 84 Cb 0.00 -2.49 0.09 0.00 -1.58 0.00 0.00 42.46 38.47 3hj0 s ILE 84 CO 0.00 0.60 0.66 -0.55 -1.23 0.00 0.00 174.94 174.41 3hj0 s SER 85 N -0.79 6.20 0.59 3.58 0.15 -1.26 -2.96 113.70 119.20 3hj0 s SER 85 Ca 0.12 -1.24 0.04 0.00 0.70 0.00 0.00 55.95 55.56 3hj0 s SER 85 Cb -0.11 -2.29 0.07 0.00 -1.71 0.00 0.00 66.02 61.98 3hj0 s SER 85 CO 0.01 -1.00 0.81 -2.16 1.20 0.00 0.00 173.24 172.10 3hj0 s PRO 86 N 2.59 2.27 -0.14 5.44 0.04 -1.26 -5.01 135.00 138.94 3hj0 s PRO 86 Ca 0.12 -1.14 -0.22 0.00 0.04 0.00 0.00 61.00 59.80 3hj0 s PRO 86 Cb -0.22 -2.52 -0.19 0.00 0.04 0.00 0.00 34.50 31.60 3hj0 s PRO 86 CO 0.08 -0.90 0.51 0.35 0.04 0.00 0.00 177.00 177.09 3hj0 h PHE 87 N 0.01 0.00 -3.90 0.56 3.57 -1.50 -3.48 116.94 112.20 3hj0 h PHE 87 Ca -0.37 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.64 3hj0 h PHE 87 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3hj0 h PHE 87 CO 0.22 0.86 0.22 -1.01 -2.23 0.00 0.00 178.31 176.36 3hj0 s HIS 88 N -2.12 3.44 0.02 0.41 3.76 -1.26 -4.99 115.29 114.54 3hj0 s HIS 88 Ca -0.17 1.25 -0.20 0.00 -0.15 0.00 0.00 55.06 55.79 3hj0 s HIS 88 Cb -0.01 -2.60 -0.19 0.00 1.11 0.00 0.00 32.58 30.89 3hj0 s HIS 88 CO 0.53 -0.17 1.20 0.93 -0.85 0.00 0.00 174.74 176.39 3hj0 h GLU 89 N 1.32 0.40 -2.60 1.40 4.39 -1.98 -3.35 114.58 114.17 3hj0 h GLU 89 Ca -0.47 -0.32 0.14 0.00 0.34 0.00 0.00 59.36 59.04 3hj0 h GLU 89 Cb 1.18 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 3hj0 h GLU 89 CO 0.63 0.96 0.39 -3.38 -1.16 0.00 0.00 179.01 176.45 3hj0 s HIS 90 N -3.66 -0.14 -0.15 4.33 -3.43 -1.26 -2.67 115.29 108.31 3hj0 s HIS 90 Ca -0.14 -0.23 -0.02 0.00 -0.80 0.00 0.00 55.06 53.87 3hj0 s HIS 90 Cb 0.04 0.67 -0.02 0.00 -1.43 0.00 0.00 32.58 31.84 3hj0 s HIS 90 CO 0.79 -1.00 -0.08 0.00 -2.00 0.00 0.00 174.74 172.45 3hj0 s ALA 91 N -3.47 2.81 -0.09 -1.38 0.00 -0.35 -4.86 121.76 114.42 3hj0 s ALA 91 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3hj0 s ALA 91 Cb -0.03 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 3hj0 s ALA 91 CO 0.04 0.19 -0.08 -1.21 0.00 0.00 0.00 175.76 174.70 3hj0 s GLU 92 N 0.42 3.01 -0.19 0.00 0.41 -1.26 -0.47 118.70 120.62 3hj0 s GLU 92 Ca -0.07 -0.59 -0.00 0.00 -0.41 0.00 0.00 54.97 53.90 3hj0 s GLU 92 Cb -0.15 -2.63 0.05 0.00 -1.78 0.00 0.00 34.13 29.62 3hj0 s GLU 92 CO 0.04 0.50 -0.05 0.08 -0.49 0.00 0.00 175.26 175.34 3hj0 s VAL 93 N -0.37 1.23 -0.14 2.63 1.01 0.15 -4.97 120.40 119.94 3hj0 s VAL 93 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3hj0 s VAL 93 Cb -0.12 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3hj0 s VAL 93 CO 0.02 0.05 -0.21 -0.69 0.00 0.00 0.00 175.10 174.27 3hj0 s VAL 94 N 1.56 2.19 -0.04 2.92 1.01 -1.26 -0.38 120.40 126.40 3hj0 s VAL 94 Ca -0.01 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 3hj0 s VAL 94 Cb -0.16 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.39 3hj0 s VAL 94 CO -0.07 0.54 0.57 0.72 0.00 0.00 0.00 175.10 176.86 3hj0 s PHE 95 N 0.72 -0.52 0.10 5.22 -0.71 -0.39 -4.99 117.98 117.40 3hj0 s PHE 95 Ca -0.09 0.88 -0.30 0.00 -1.04 0.00 0.00 56.93 56.38 3hj0 s PHE 95 Cb -0.16 0.31 -0.06 0.00 -1.21 0.00 0.00 43.02 41.91 3hj0 s PHE 95 CO 0.01 -0.54 1.04 0.99 -1.34 0.00 0.00 175.22 175.37 3hj0 s THR 96 N -1.21 4.35 0.04 -4.49 2.01 -1.26 -0.84 115.64 114.25 3hj0 s THR 96 Ca -0.12 1.86 0.08 0.00 0.31 0.00 0.00 61.69 63.82 3hj0 s THR 96 Cb -0.02 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 3hj0 s THR 96 CO 0.08 0.24 -0.22 0.00 -0.69 0.00 0.00 174.62 174.04 3hj0 s ALA 97 N 0.31 1.86 -1.52 7.40 0.00 -0.15 -4.83 121.76 124.82 3hj0 s ALA 97 Ca 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3hj0 s ALA 97 Cb -0.25 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3hj0 s ALA 97 CO 0.31 0.42 0.00 0.09 0.00 0.00 0.00 175.76 176.58 3hj0 n ASN 98 N 1.83 -4.77 -0.06 0.00 3.02 -1.26 -2.50 115.26 111.52 3hj0 n ASN 98 Ca -0.17 0.25 0.15 0.00 -0.03 0.00 0.00 54.58 54.78 3hj0 n ASN 98 Cb 0.53 -3.71 0.73 0.00 -0.61 0.00 0.00 39.78 36.73 3hj0 n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3hj0 n ASP 99 N -0.62 0.23 -0.51 6.41 5.75 -1.26 -2.53 116.55 124.03 3hj0 n ASP 99 Ca -0.16 -0.53 0.07 0.00 -0.01 0.00 0.00 54.79 54.16 3hj0 n ASP 99 Cb 0.55 -0.14 0.16 0.00 -1.03 0.00 0.00 41.12 40.66 3hj0 n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3hj0 n SER 100 N -1.05 1.77 0.00 -1.12 7.64 -1.26 -5.09 113.62 114.51 3hj0 n SER 100 Ca 0.16 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.64 3hj0 n SER 100 Cb 0.23 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 3hj0 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hj0 n GLY 101 N -1.03 0.88 3.75 0.23 0.00 -1.05 -4.99 105.19 102.98 3hj0 n GLY 101 Ca 0.16 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3hj0 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hj0 s PRO 102 N -1.56 4.19 0.21 1.61 0.04 -1.26 -4.27 135.00 133.95 3hj0 s PRO 102 Ca 0.00 2.45 0.04 0.00 0.04 0.00 0.00 61.00 63.53 3hj0 s PRO 102 Cb 0.00 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 3hj0 s PRO 102 CO 0.00 -0.52 -0.03 1.03 0.04 0.00 0.00 177.00 177.52 3hj0 s ARG 103 N -0.61 1.26 -0.18 4.56 1.81 -1.26 -4.59 118.95 119.93 3hj0 s ARG 103 Ca 0.60 -1.61 -0.07 0.00 -1.72 0.00 0.00 55.73 52.93 3hj0 s ARG 103 Cb -0.45 -0.61 -0.04 0.00 -0.45 0.00 0.00 34.95 33.40 3hj0 s ARG 103 CO 0.47 -0.05 0.04 1.03 -0.68 0.00 0.00 175.30 176.12 3hj0 s ARG 104 N -3.83 3.89 -0.13 3.54 0.52 -0.03 -4.84 118.95 118.06 3hj0 s ARG 104 Ca 0.25 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 55.09 3hj0 s ARG 104 Cb 0.05 -3.17 -0.00 0.00 0.52 0.00 0.00 34.95 32.35 3hj0 s ARG 104 CO 0.06 0.23 -0.19 0.71 0.02 0.00 0.00 175.30 176.13 3hj0 s TYR 105 N 0.48 2.70 -0.21 -0.53 1.51 0.06 -0.88 117.35 120.48 3hj0 s TYR 105 Ca 0.02 -1.04 -0.04 0.00 -1.01 0.00 0.00 57.07 55.00 3hj0 s TYR 105 Cb -0.13 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 3hj0 s TYR 105 CO 0.01 -0.44 -0.02 0.99 -1.11 0.00 0.00 175.55 174.98 3hj0 s THR 106 N 0.59 3.65 -0.29 -0.71 2.01 0.05 -1.10 115.64 119.84 3hj0 s THR 106 Ca -0.11 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 3hj0 s THR 106 Cb -0.16 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 3hj0 s THR 106 CO 0.03 0.42 0.12 -0.63 -0.69 0.00 0.00 174.62 173.88 3hj0 s ILE 107 N 1.25 4.44 0.02 1.82 -1.09 -0.01 -1.08 121.20 126.55 3hj0 s ILE 107 Ca 0.03 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 3hj0 s ILE 107 Cb -0.14 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 3hj0 s ILE 107 CO -0.00 0.14 -0.08 0.00 -1.23 0.00 0.00 174.94 173.76 3hj0 s ALA 108 N 1.60 2.96 0.01 9.38 0.00 -0.44 -0.97 121.76 134.30 3hj0 s ALA 108 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.94 3hj0 s ALA 108 Cb -0.17 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 3hj0 s ALA 108 CO 0.05 0.61 -0.03 0.00 0.00 0.00 0.00 175.76 176.40 3hj0 s ALA 109 N -1.02 0.16 -0.15 0.00 0.00 -0.04 -1.23 121.76 119.47 3hj0 s ALA 109 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3hj0 s ALA 109 Cb -0.11 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.10 3hj0 s ALA 109 CO 0.08 -0.06 -0.12 -1.17 0.00 0.00 0.00 175.76 174.49 3hj0 s LEU 110 N -0.84 1.72 -0.08 0.00 2.96 0.06 -0.87 118.68 121.63 3hj0 s LEU 110 Ca -0.08 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.29 3hj0 s LEU 110 Cb -0.06 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 3hj0 s LEU 110 CO -0.00 -0.09 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.10 3hj0 s LEU 111 N 1.51 3.12 0.23 -0.68 1.43 -0.10 -1.56 118.68 122.63 3hj0 s LEU 111 Ca 0.04 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 3hj0 s LEU 111 Cb -0.14 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3hj0 s LEU 111 CO -0.10 0.33 -0.01 -0.44 0.23 0.00 0.00 176.35 176.37 3hj0 s SER 112 N -0.64 1.91 0.38 2.29 0.01 -0.01 -0.90 113.70 116.74 3hj0 s SER 112 Ca 0.10 -1.21 0.06 0.00 1.31 0.00 0.00 55.95 56.20 3hj0 s SER 112 Cb -0.11 -0.01 0.76 0.00 0.21 0.00 0.00 66.02 66.87 3hj0 s SER 112 CO 0.02 -0.49 2.00 -0.65 0.41 0.00 0.00 173.24 174.53 3hj0 h PRO 113 N 2.46 0.58 -0.19 12.44 0.11 -1.99 -2.96 132.00 142.45 3hj0 h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hj0 h PRO 113 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hj0 h PRO 113 CO 0.65 0.44 0.00 0.66 -0.21 0.00 0.00 178.00 179.53 3hj0 n TYR 114 N -4.42 0.39 -3.48 0.65 4.02 -1.26 -1.16 117.16 111.90 3hj0 n TYR 114 Ca 0.03 -0.66 -0.14 0.00 -0.01 0.00 0.00 57.90 57.12 3hj0 n TYR 114 Cb 0.10 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.27 3hj0 n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hj0 s SER 115 N -1.50 -0.57 0.09 7.72 1.04 -1.12 -4.95 113.70 114.41 3hj0 s SER 115 Ca 0.23 0.23 -0.14 0.00 0.48 0.00 0.00 55.95 56.74 3hj0 s SER 115 Cb 0.16 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.87 3hj0 s SER 115 CO 0.08 -0.83 0.34 -0.72 0.98 0.00 0.00 173.24 173.09 3hj0 s TYR 116 N -2.82 -0.12 0.11 5.02 -0.85 -1.26 -0.83 117.35 116.60 3hj0 s TYR 116 Ca -0.03 -0.15 0.07 0.00 -0.52 0.00 0.00 57.07 56.45 3hj0 s TYR 116 Cb -0.01 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 3hj0 s TYR 116 CO -0.05 -0.61 -0.19 -1.54 -1.52 0.00 0.00 175.55 171.65 3hj0 s SER 117 N -2.55 2.36 0.02 -0.18 1.04 -0.60 -4.99 113.70 108.80 3hj0 s SER 117 Ca 0.01 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.72 3hj0 s SER 117 Cb 0.02 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 3hj0 s SER 117 CO -0.09 -0.00 -0.02 0.42 0.98 0.00 0.00 173.24 174.53 3hj0 s THR 118 N -1.44 0.09 0.11 2.02 -4.23 -1.26 -0.76 115.64 110.16 3hj0 s THR 118 Ca 0.07 -0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 59.85 3hj0 s THR 118 Cb -0.09 -0.20 -0.03 0.00 1.34 0.00 0.00 72.50 73.52 3hj0 s THR 118 CO 0.04 -0.39 0.07 0.28 -0.54 0.00 0.00 174.62 174.09 3hj0 s THR 119 N -1.13 0.13 -0.02 3.99 -1.32 -0.37 -5.00 115.64 111.92 3hj0 s THR 119 Ca -0.12 -1.75 0.08 0.00 -1.21 0.00 0.00 61.69 58.68 3hj0 s THR 119 Cb -0.08 -1.81 -0.02 0.00 -1.51 0.00 0.00 72.50 69.08 3hj0 s THR 119 CO -0.01 -0.61 -0.25 0.00 -2.21 0.00 0.00 174.62 171.54 3hj0 s ALA 120 N -3.99 2.19 -0.21 11.08 0.00 -1.26 -1.33 121.76 128.25 3hj0 s ALA 120 Ca 0.17 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 3hj0 s ALA 120 Cb 0.07 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.63 3hj0 s ALA 120 CO -0.03 0.53 -0.14 0.08 0.00 0.00 0.00 175.76 176.21 3hj0 s VAL 121 N -0.62 2.50 -0.15 0.00 1.01 -0.24 -4.99 120.40 117.92 3hj0 s VAL 121 Ca 0.10 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3hj0 s VAL 121 Cb -0.10 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3hj0 s VAL 121 CO -0.01 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.63 3hj0 s VAL 122 N 1.33 2.30 0.11 2.92 1.01 -1.26 -0.77 120.40 126.03 3hj0 s VAL 122 Ca 0.04 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3hj0 s VAL 122 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hj0 s VAL 122 CO -0.09 0.54 -0.17 0.42 0.00 0.00 0.00 175.10 175.80 3hj0 s THR 123 N 0.82 1.43 -0.28 3.92 -4.23 -0.06 -4.97 115.64 112.27 3hj0 s THR 123 Ca -0.06 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 58.82 3hj0 s THR 123 Cb -0.15 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.25 3hj0 s THR 123 CO -0.01 -0.24 0.07 0.21 -0.54 0.00 0.00 174.62 174.11 3hj0 s ASN 124 N -2.10 5.09 0.00 3.99 3.84 -1.26 -0.85 114.94 123.65 3hj0 s ASN 124 Ca 0.06 -0.58 0.32 0.00 0.21 0.00 0.00 52.86 52.86 3hj0 s ASN 124 Cb -0.08 -1.88 1.90 0.00 -0.55 0.00 0.00 41.25 40.64 3hj0 s ASN 124 CO 0.04 -0.15 2.22 -0.81 -2.79 0.00 0.00 177.10 175.61