#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 0.65 0.01 1.53 2.96 -1.26 -0.81 118.68 121.76 3hj0 s LEU 12 Ca 0.00 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3hj0 s LEU 12 Cb 0.00 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 3hj0 s LEU 12 CO 0.00 -0.18 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.40 3hj0 s MET 13 N 1.69 1.01 -0.08 1.98 -2.45 -0.14 -4.39 119.30 116.93 3hj0 s MET 13 Ca -0.00 -0.59 0.05 0.00 -1.25 0.00 0.00 55.69 53.89 3hj0 s MET 13 Cb -0.13 -1.00 -0.00 0.00 1.25 0.00 0.00 34.83 34.95 3hj0 s MET 13 CO -0.03 0.26 -0.23 0.08 1.05 0.00 0.00 175.02 176.15 3hj0 s VAL 14 N -0.53 1.97 -0.05 10.11 1.01 -0.97 -0.87 120.40 131.07 3hj0 s VAL 14 Ca 0.04 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3hj0 s VAL 14 Cb -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3hj0 s VAL 14 CO 0.00 0.54 -0.14 -0.75 0.00 0.00 0.00 175.10 174.76 3hj0 s LYS 15 N 0.17 1.58 -0.05 2.72 2.20 -0.07 -0.72 119.74 125.56 3hj0 s LYS 15 Ca -0.13 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 3hj0 s LYS 15 Cb -0.16 -1.37 0.01 0.00 -1.51 0.00 0.00 37.83 34.80 3hj0 s LYS 15 CO 0.06 0.15 -0.12 0.08 -0.36 0.00 0.00 175.35 175.17 3hj0 s VAL 16 N 0.25 1.07 0.13 4.02 1.01 0.09 -0.74 120.40 126.23 3hj0 s VAL 16 Ca -0.07 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.54 3hj0 s VAL 16 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3hj0 s VAL 16 CO 0.02 0.33 -0.21 -0.76 0.00 0.00 0.00 175.10 174.49 3hj0 s LEU 17 N 0.52 2.36 -0.24 3.92 1.43 0.07 -1.12 118.68 125.61 3hj0 s LEU 17 Ca -0.11 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.19 3hj0 s LEU 17 Cb -0.14 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.18 3hj0 s LEU 17 CO 0.03 0.04 -0.03 -0.62 0.23 0.00 0.00 176.35 176.00 3hj0 s ASP 18 N -2.23 4.43 0.02 2.29 -1.08 0.29 -0.68 116.67 119.71 3hj0 s ASP 18 Ca 0.11 -0.65 0.28 0.00 -0.52 0.00 0.00 52.55 51.77 3hj0 s ASP 18 Cb -0.08 -1.73 0.99 0.00 -1.46 0.00 0.00 42.92 40.63 3hj0 s ASP 18 CO 0.06 -0.10 1.76 0.00 0.52 0.00 0.00 175.17 177.41 3hj0 n ALA 19 N 4.76 2.68 -0.03 3.66 0.00 -0.17 -1.50 120.51 129.91 3hj0 n ALA 19 Ca -0.17 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 3hj0 n ALA 19 Cb 0.49 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 0.00 0.96 0.00 0.00 2.07 -1.95 -3.39 116.25 113.94 3hj0 h VAL 20 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3hj0 h VAL 20 Cb 0.52 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 3hj0 h VAL 20 CO 0.00 0.62 -1.29 0.54 0.02 0.00 0.00 177.57 177.46 3hj0 n ARG 21 N -4.03 0.29 -2.71 1.57 1.74 -1.25 -5.01 116.66 107.26 3hj0 n ARG 21 Ca -0.28 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 56.66 3hj0 n ARG 21 Cb 0.84 -1.54 0.05 0.00 -1.02 0.00 0.00 32.46 30.79 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 1.38 -0.01 3.37 -0.13 0.00 -0.56 -5.03 105.19 104.21 3hj0 n GLY 22 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3hj0 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hj0 s SER 23 N -3.65 -0.04 0.76 1.61 1.04 -1.05 -5.01 113.70 107.36 3hj0 s SER 23 Ca 0.03 -0.73 -0.15 0.00 0.48 0.00 0.00 55.95 55.58 3hj0 s SER 23 Cb -0.00 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.63 3hj0 s SER 23 CO 0.39 -0.92 1.20 -2.65 0.98 0.00 0.00 173.24 172.24 3hj0 n PRO 24 N -0.23 0.45 -3.21 4.02 -0.02 -1.26 -0.55 135.00 134.19 3hj0 n PRO 24 Ca -0.09 0.22 -0.44 0.00 -2.02 0.00 0.00 63.50 61.17 3hj0 n PRO 24 Cb 0.63 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3hj0 n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hj0 s ALA 25 N -1.90 3.45 0.03 3.55 0.00 -0.28 -4.56 121.76 122.04 3hj0 s ALA 25 Ca 0.76 -1.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 3hj0 s ALA 25 Cb -0.32 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 3hj0 s ALA 25 CO 0.48 -1.99 0.41 0.42 0.00 0.00 0.00 175.76 175.08 3hj0 s ILE 26 N 2.35 5.05 -1.46 0.00 1.01 -1.26 -4.34 121.20 122.55 3hj0 s ILE 26 Ca 0.11 0.68 -0.05 0.00 0.00 0.00 0.00 60.65 61.39 3hj0 s ILE 26 Cb -0.22 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.58 3hj0 s ILE 26 CO 0.09 0.46 0.70 0.59 0.00 0.00 0.00 174.94 176.78 3hj0 n ASN 27 N 1.44 -6.04 -4.70 3.58 3.02 -0.34 -4.94 115.26 107.27 3hj0 n ASN 27 Ca -0.12 -0.33 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 3hj0 n ASN 27 Cb 0.52 -4.82 -0.06 0.00 -0.61 0.00 0.00 39.78 34.82 3hj0 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hj0 s VAL 28 N -3.19 5.10 0.19 2.41 1.01 -1.26 -4.76 120.40 119.90 3hj0 s VAL 28 Ca 0.35 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 3hj0 s VAL 28 Cb -0.15 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3hj0 s VAL 28 CO 0.43 0.25 1.17 0.00 0.00 0.00 0.00 175.10 176.95 3hj0 s ALA 29 N 1.02 3.42 -0.06 5.51 0.00 -1.26 -1.11 121.76 129.27 3hj0 s ALA 29 Ca 0.30 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3hj0 s ALA 29 Cb -0.16 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.58 3hj0 s ALA 29 CO 0.13 -0.32 -0.07 0.08 0.00 0.00 0.00 175.76 175.57 3hj0 s VAL 30 N -0.18 0.81 -0.09 0.00 1.01 -0.13 -1.02 120.40 120.81 3hj0 s VAL 30 Ca 0.51 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.29 3hj0 s VAL 30 Cb -0.32 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3hj0 s VAL 30 CO 0.37 0.29 -0.24 -1.00 0.00 0.00 0.00 175.10 174.52 3hj0 s HIS 31 N 1.02 2.52 -0.10 5.22 3.76 -0.06 -1.63 115.29 126.04 3hj0 s HIS 31 Ca -0.09 -0.93 -0.01 0.00 -0.15 0.00 0.00 55.06 53.88 3hj0 s HIS 31 Cb -0.14 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 3hj0 s HIS 31 CO -0.00 -0.35 -0.05 0.08 -0.85 0.00 0.00 174.74 173.57 3hj0 s VAL 32 N 0.17 3.84 0.13 -0.90 1.01 0.97 -0.02 120.40 125.60 3hj0 s VAL 32 Ca -0.14 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3hj0 s VAL 32 Cb -0.17 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3hj0 s VAL 32 CO 0.07 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.21 3hj0 s PHE 33 N -0.49 1.61 -0.03 5.22 0.40 0.35 -1.00 117.98 124.05 3hj0 s PHE 33 Ca 0.08 -0.49 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 3hj0 s PHE 33 Cb -0.12 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 3hj0 s PHE 33 CO 0.02 0.21 -0.25 0.50 0.70 0.00 0.00 175.22 176.40 3hj0 s ARG 34 N -2.48 2.23 -0.02 0.44 3.52 0.09 -0.96 118.95 121.78 3hj0 s ARG 34 Ca 0.10 -0.91 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 3hj0 s ARG 34 Cb -0.07 -2.06 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 3hj0 s ARG 34 CO 0.04 0.50 1.23 0.21 -0.81 0.00 0.00 175.30 176.47 3hj0 s LYS 35 N -0.46 4.37 0.73 5.12 2.20 -0.04 -0.65 119.74 131.01 3hj0 s LYS 35 Ca 0.06 1.74 -0.06 0.00 -0.36 0.00 0.00 55.97 57.34 3hj0 s LYS 35 Cb -0.11 -3.50 0.09 0.00 -1.51 0.00 0.00 37.83 32.80 3hj0 s LYS 35 CO 0.00 -0.41 1.03 0.00 -0.36 0.00 0.00 175.35 175.62 3hj0 s ALA 36 N 1.92 3.18 0.46 3.13 0.00 0.36 -4.76 121.76 126.05 3hj0 s ALA 36 Ca 0.58 -1.12 0.16 0.00 0.00 0.00 0.00 51.96 51.58 3hj0 s ALA 36 Cb -0.27 -2.49 1.11 0.00 0.00 0.00 0.00 23.12 21.47 3hj0 s ALA 36 CO 0.25 -1.44 2.04 0.00 0.00 0.00 0.00 175.76 176.61 3hj0 h ALA 37 N -0.68 1.72 -0.30 0.00 0.00 -1.95 -0.06 119.26 118.00 3hj0 h ALA 37 Ca -0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hj0 h ALA 37 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hj0 h ALA 37 CO 0.54 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 3hj0 n ASP 38 N -4.31 2.08 0.00 0.00 5.75 -1.26 -4.90 116.55 113.92 3hj0 n ASP 38 Ca -0.03 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 3hj0 n ASP 38 Cb 0.21 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3hj0 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hj0 n ASP 39 N 0.38 -2.64 -4.88 -1.12 8.00 -0.03 -5.01 116.55 111.25 3hj0 n ASP 39 Ca 0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 3hj0 n ASP 39 Cb 0.38 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 -2.10 4.76 -0.40 -3.53 -4.23 -1.26 -4.78 115.64 104.10 3hj0 s THR 40 Ca 0.00 0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 61.03 3hj0 s THR 40 Cb 0.00 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.99 3hj0 s THR 40 CO 0.00 -1.03 0.45 0.26 -0.54 0.00 0.00 174.62 173.76 3hj0 s TRP 41 N -3.01 3.17 -0.15 3.99 0.52 -1.26 -0.49 118.94 121.70 3hj0 s TRP 41 Ca 0.53 -0.20 -0.20 0.00 0.02 0.00 0.00 56.10 56.24 3hj0 s TRP 41 Cb -0.11 -2.90 -0.03 0.00 -1.15 0.00 0.00 33.47 29.28 3hj0 s TRP 41 CO 0.50 -0.64 0.59 -2.00 0.02 0.00 0.00 176.95 175.41 3hj0 s GLU 42 N 2.22 4.29 0.34 4.98 2.12 0.18 -4.88 118.70 127.94 3hj0 s GLU 42 Ca 0.14 0.59 -0.28 0.00 0.36 0.00 0.00 54.97 55.78 3hj0 s GLU 42 Cb -0.16 -3.51 -0.12 0.00 0.26 0.00 0.00 34.13 30.59 3hj0 s GLU 42 CO 0.14 -0.06 1.23 -2.30 -0.54 0.00 0.00 175.26 173.73 3hj0 n PRO 43 N 4.41 1.97 0.00 4.30 -0.02 -1.26 -0.73 135.00 143.66 3hj0 n PRO 43 Ca -0.03 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3hj0 n PRO 43 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.27 0.00 -3.49 6.00 7.35 -0.17 -4.74 117.46 122.69 3hj0 n PHE 44 Ca 0.06 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.62 3hj0 n PHE 44 Cb 0.36 0.12 -0.04 0.00 0.35 0.00 0.00 39.48 40.26 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 -1.97 -1.74 0.26 3.13 0.00 -0.98 -5.01 121.76 115.44 3hj0 s ALA 45 Ca 0.00 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 3hj0 s ALA 45 Cb 0.00 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.44 3hj0 s ALA 45 CO 0.00 -0.56 0.69 -1.54 0.00 0.00 0.00 175.76 174.35 3hj0 s SER 46 N -1.96 -0.30 0.00 0.00 1.04 -1.26 -0.02 113.70 111.20 3hj0 s SER 46 Ca -0.03 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3hj0 s SER 46 Cb -0.01 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3hj0 s SER 46 CO -0.03 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.53 3hj0 n GLY 47 N -0.44 -1.30 3.25 7.32 0.00 -0.65 -4.98 105.19 108.39 3hj0 n GLY 47 Ca -0.06 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 3hj0 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hj0 s LYS 48 N -0.75 1.63 0.55 1.61 1.02 -1.26 -0.96 119.74 121.58 3hj0 s LYS 48 Ca 0.00 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 54.94 3hj0 s LYS 48 Cb 0.00 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.61 3hj0 s LYS 48 CO 0.00 0.44 1.23 0.95 -0.92 0.00 0.00 175.35 177.05 3hj0 s THR 49 N -0.62 2.64 0.65 2.17 -4.23 -0.26 -4.78 115.64 111.21 3hj0 s THR 49 Ca 0.08 0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.92 3hj0 s THR 49 Cb -0.09 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.70 3hj0 s THR 49 CO 0.00 -0.05 0.89 -1.54 -0.54 0.00 0.00 174.62 173.39 3hj0 n SER 50 N -1.16 0.11 0.34 3.99 3.41 -0.02 -1.19 113.62 119.09 3hj0 n SER 50 Ca 0.11 -1.35 0.22 0.00 -0.26 0.00 0.00 58.87 57.59 3hj0 n SER 50 Cb 0.48 -0.68 1.18 0.00 -0.26 0.00 0.00 64.21 64.94 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 -0.55 4.33 4.39 -1.94 -0.32 114.58 120.49 3hj0 h GLU 51 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3hj0 h GLU 51 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3hj0 h GLU 51 CO 0.21 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.93 3hj0 n SER 52 N -3.09 3.51 -0.02 1.42 3.41 -1.26 -4.81 113.62 112.76 3hj0 n SER 52 Ca -0.03 -1.98 -0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3hj0 n SER 52 Cb 0.10 -0.36 -0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.54 0.47 3.59 5.00 0.00 -0.13 -4.79 105.19 110.87 3hj0 n GLY 53 Ca 0.21 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.59 2.16 -0.23 1.61 2.02 -1.26 -0.73 118.70 121.68 3hj0 s GLU 54 Ca 0.00 -1.04 -0.01 0.00 0.02 0.00 0.00 54.97 53.94 3hj0 s GLU 54 Cb 0.00 -2.31 0.07 0.00 0.10 0.00 0.00 34.13 31.99 3hj0 s GLU 54 CO 0.00 0.50 0.01 -1.17 0.02 0.00 0.00 175.26 174.62 3hj0 s LEU 55 N -2.30 2.00 0.32 1.80 2.96 0.10 -0.84 118.68 122.71 3hj0 s LEU 55 Ca 0.22 -1.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.08 3hj0 s LEU 55 Cb -0.11 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 3hj0 s LEU 55 CO 0.14 -0.30 0.26 -1.00 -1.32 0.00 0.00 176.35 174.13 3hj0 s HIS 56 N 1.61 2.91 -0.27 5.38 3.76 -1.26 -2.28 115.29 125.13 3hj0 s HIS 56 Ca -0.01 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3hj0 s HIS 56 Cb -0.18 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.80 3hj0 s HIS 56 CO -0.10 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 3hj0 n GLY 57 N -1.31 0.59 0.29 -2.22 0.00 -1.26 -4.93 105.19 96.34 3hj0 n GLY 57 Ca -0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 0.93 0.00 0.99 3.38 -1.86 -3.47 115.31 115.28 3hj0 h LEU 58 Ca -0.05 -0.22 -0.21 0.00 0.09 0.00 0.00 57.88 57.49 3hj0 h LEU 58 Cb 0.20 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3hj0 h LEU 58 CO 0.08 0.90 -0.08 1.07 0.09 0.00 0.00 178.44 180.50 3hj0 n THR 59 N -4.35 0.00 -4.38 0.22 5.66 -1.26 -4.79 114.28 105.37 3hj0 n THR 59 Ca 0.04 -1.39 -0.19 0.00 -3.05 0.00 0.00 64.05 59.46 3hj0 n THR 59 Cb 0.23 0.89 -0.10 0.00 -1.55 0.00 0.00 70.33 69.79 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 -2.70 1.41 0.25 1.09 -4.23 -1.26 -4.54 115.64 105.66 3hj0 s THR 60 Ca 0.23 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 3hj0 s THR 60 Cb -0.01 -2.37 0.24 0.00 1.34 0.00 0.00 72.50 71.69 3hj0 s THR 60 CO 0.16 -0.34 1.86 -0.33 -0.54 0.00 0.00 174.62 175.44 3hj0 h GLU 61 N 2.38 1.01 -0.97 3.99 5.08 -2.00 -1.80 114.58 122.27 3hj0 h GLU 61 Ca -0.39 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 3hj0 h GLU 61 Cb 1.23 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3hj0 h GLU 61 CO 0.66 0.67 0.64 1.49 -1.00 0.00 0.00 179.01 181.47 3hj0 h GLU 62 N 1.04 1.26 0.00 2.33 4.57 -2.05 -3.03 114.58 118.71 3hj0 h GLU 62 Ca 0.40 -0.08 -0.14 0.00 -1.18 0.00 0.00 59.36 58.37 3hj0 h GLU 62 Cb 0.19 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 3hj0 h GLU 62 CO -0.18 0.83 -0.97 0.93 -1.18 0.00 0.00 179.01 178.45 3hj0 h GLU 63 N 1.30 0.00 -3.33 1.92 5.08 -1.81 -3.41 114.58 114.33 3hj0 h GLU 63 Ca 0.37 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.96 3hj0 h GLU 63 Cb -0.11 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 28.96 3hj0 h GLU 63 CO -0.09 0.42 1.81 0.34 -1.00 0.00 0.00 179.01 180.49 3hj0 n PHE 64 N -3.06 2.77 -1.81 4.33 7.35 -0.74 -4.97 117.46 121.33 3hj0 n PHE 64 Ca -0.04 -2.74 -0.30 0.00 -0.76 0.00 0.00 57.45 53.61 3hj0 n PHE 64 Cb 0.79 -1.80 0.05 0.00 0.35 0.00 0.00 39.48 38.87 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 -0.33 3.47 0.52 -2.13 -7.23 -1.26 -4.98 120.40 108.45 3hj0 s VAL 65 Ca 0.38 0.48 -0.21 0.00 -1.81 0.00 0.00 61.98 60.82 3hj0 s VAL 65 Cb 0.09 -3.42 -0.08 0.00 0.56 0.00 0.00 36.38 33.54 3hj0 s VAL 65 CO 0.02 -0.62 0.95 -0.62 -0.31 0.00 0.00 175.10 174.52 3hj0 n GLU 66 N -3.08 1.09 -2.65 4.82 1.02 -1.26 -4.86 120.64 115.72 3hj0 n GLU 66 Ca 0.07 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3hj0 n GLU 66 Cb 0.57 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 3hj0 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hj0 n GLY 67 N 1.27 -1.25 3.71 0.62 0.00 -1.15 -4.97 105.19 103.43 3hj0 n GLY 67 Ca 0.11 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.01 5.36 0.14 -0.61 1.01 -1.26 -0.76 121.20 123.06 3hj0 s ILE 68 Ca 0.00 0.32 0.10 0.00 0.00 0.00 0.00 60.65 61.07 3hj0 s ILE 68 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3hj0 s ILE 68 CO 0.00 0.39 -0.23 -0.31 0.00 0.00 0.00 174.94 174.79 3hj0 s TYR 69 N 0.59 2.07 -0.10 3.97 1.51 0.09 -0.86 117.35 124.62 3hj0 s TYR 69 Ca 0.11 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3hj0 s TYR 69 Cb -0.12 -1.10 0.01 0.00 -0.11 0.00 0.00 41.96 40.64 3hj0 s TYR 69 CO 0.01 0.32 -0.15 0.21 -1.11 0.00 0.00 175.55 174.84 3hj0 s LYS 70 N -2.20 2.12 -0.29 -0.62 2.20 -0.13 -1.28 119.74 119.54 3hj0 s LYS 70 Ca 0.13 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 55.12 3hj0 s LYS 70 Cb -0.09 -1.80 -0.01 0.00 -1.51 0.00 0.00 37.83 34.42 3hj0 s LYS 70 CO 0.06 -0.05 0.12 0.08 -0.36 0.00 0.00 175.35 175.20 3hj0 s VAL 71 N 0.94 4.36 -0.22 4.02 1.01 0.61 -0.49 120.40 130.63 3hj0 s VAL 71 Ca -0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3hj0 s VAL 71 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3hj0 s VAL 71 CO -0.01 0.12 0.02 -1.61 0.00 0.00 0.00 175.10 173.63 3hj0 s GLU 72 N 1.58 3.61 -0.22 2.72 2.02 0.97 -0.51 118.70 128.88 3hj0 s GLU 72 Ca 0.04 -0.51 -0.06 0.00 0.02 0.00 0.00 54.97 54.47 3hj0 s GLU 72 Cb -0.17 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 3hj0 s GLU 72 CO 0.05 -0.09 0.01 0.42 0.02 0.00 0.00 175.26 175.67 3hj0 s ILE 73 N 1.28 3.97 -1.31 -1.63 1.01 0.54 -0.88 121.20 124.19 3hj0 s ILE 73 Ca 0.04 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 3hj0 s ILE 73 Cb -0.15 -2.82 0.11 0.00 0.01 0.00 0.00 42.46 39.62 3hj0 s ILE 73 CO 0.02 0.40 1.80 0.47 0.00 0.00 0.00 174.94 177.63 3hj0 n ASP 74 N 4.53 4.81 0.01 3.58 10.43 -0.18 -1.30 116.55 138.43 3hj0 n ASP 74 Ca -0.17 -2.96 -0.05 0.00 2.57 0.00 0.00 54.79 54.18 3hj0 n ASP 74 Cb 0.51 -1.62 0.16 0.00 1.84 0.00 0.00 41.12 42.02 3hj0 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3hj0 h THR 75 N 4.55 1.28 -0.30 -3.53 1.35 -1.87 -3.07 112.91 111.33 3hj0 h THR 75 Ca 0.43 -1.41 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 3hj0 h THR 75 Cb 0.76 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 3hj0 h THR 75 CO 1.54 0.45 0.16 0.50 -0.25 0.00 0.00 175.52 177.91 3hj0 h LYS 76 N 0.43 0.42 -0.56 4.72 3.64 -1.74 -1.69 116.57 121.80 3hj0 h LYS 76 Ca 0.05 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3hj0 h LYS 76 Cb 0.78 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3hj0 h LYS 76 CO 0.06 0.37 0.14 0.77 -2.27 0.00 0.00 179.45 178.52 3hj0 h SER 77 N 0.36 0.79 0.13 4.20 0.02 -1.86 -1.45 113.55 115.75 3hj0 h SER 77 Ca 0.10 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3hj0 h SER 77 Cb 0.08 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3hj0 h SER 77 CO -0.02 0.78 -0.15 0.22 -1.14 0.00 0.00 176.83 176.52 3hj0 h TYR 78 N 0.82 -0.40 -0.44 3.45 3.20 -1.36 -1.37 116.97 120.88 3hj0 h TYR 78 Ca 0.18 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3hj0 h TYR 78 Cb 0.29 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3hj0 h TYR 78 CO 0.02 -0.23 -0.00 -1.49 -1.64 0.00 0.00 178.16 174.81 3hj0 h TRP 79 N -0.32 0.86 -0.17 -3.82 4.06 -1.14 -2.83 115.95 112.57 3hj0 h TRP 79 Ca 0.01 -0.15 -0.06 0.00 2.06 0.00 0.00 58.89 60.76 3hj0 h TRP 79 Cb 0.32 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 3hj0 h TRP 79 CO -0.14 0.84 -0.14 0.87 -3.56 0.00 0.00 178.44 176.30 3hj0 h LYS 80 N 0.63 0.28 0.00 0.49 1.57 -1.18 -0.49 116.57 117.86 3hj0 h LYS 80 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hj0 h LYS 80 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3hj0 h LYS 80 CO 0.02 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.33 3hj0 h ALA 81 N 1.60 1.00 -0.16 3.86 0.00 -1.00 -1.16 119.26 123.39 3hj0 h ALA 81 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hj0 h ALA 81 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hj0 h ALA 81 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3hj0 n LEU 82 N -2.90 2.77 -0.13 0.00 4.77 -0.52 -4.96 117.00 116.03 3hj0 n LEU 82 Ca 0.01 -1.05 -0.02 0.00 -0.03 0.00 0.00 56.01 54.92 3hj0 n LEU 82 Cb 0.27 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3hj0 n LEU 82 CO 0.25 0.52 -0.02 0.61 -1.33 0.00 0.00 177.39 177.43 3hj0 n GLY 83 N 1.35 0.46 3.40 -0.72 0.00 -0.44 -5.04 105.19 104.20 3hj0 n GLY 83 Ca 0.17 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.06 2.85 -0.24 -0.61 1.01 -0.31 -4.99 121.20 116.84 3hj0 s ILE 84 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 3hj0 s ILE 84 Cb 0.00 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 3hj0 s ILE 84 CO 0.00 0.57 0.80 -0.55 0.00 0.00 0.00 174.94 175.76 3hj0 s SER 85 N -0.33 6.81 0.30 3.58 0.15 -1.26 -3.16 113.70 119.79 3hj0 s SER 85 Ca 0.03 1.00 0.08 0.00 0.70 0.00 0.00 55.95 57.76 3hj0 s SER 85 Cb -0.13 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 3hj0 s SER 85 CO 0.02 -0.49 0.19 -2.16 1.20 0.00 0.00 173.24 172.01 3hj0 s PRO 86 N 2.74 2.65 -0.15 5.44 0.04 -1.26 -4.90 135.00 139.55 3hj0 s PRO 86 Ca 0.34 -1.29 -0.27 0.00 0.04 0.00 0.00 61.00 59.82 3hj0 s PRO 86 Cb -0.15 -2.39 -0.25 0.00 0.04 0.00 0.00 34.50 31.75 3hj0 s PRO 86 CO 0.08 0.23 0.65 0.35 0.04 0.00 0.00 177.00 178.35 3hj0 h PHE 87 N 1.48 0.04 -3.76 0.56 3.57 -1.45 -3.48 116.94 113.89 3hj0 h PHE 87 Ca -0.46 -0.03 -0.49 0.00 3.53 0.00 0.00 57.97 60.53 3hj0 h PHE 87 Cb 1.25 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 3hj0 h PHE 87 CO 0.58 1.14 0.12 -1.01 -2.23 0.00 0.00 178.31 176.92 3hj0 s HIS 88 N -2.27 3.37 0.20 0.41 3.76 -1.26 -4.98 115.29 114.53 3hj0 s HIS 88 Ca -0.21 1.24 -0.04 0.00 -0.15 0.00 0.00 55.06 55.90 3hj0 s HIS 88 Cb -0.01 -2.56 0.15 0.00 1.11 0.00 0.00 32.58 31.28 3hj0 s HIS 88 CO 0.68 0.05 1.58 0.93 -0.85 0.00 0.00 174.74 177.13 3hj0 h GLU 89 N 2.12 0.69 -2.03 1.40 4.39 -1.98 -3.37 114.58 115.80 3hj0 h GLU 89 Ca -0.48 -0.34 0.23 0.00 0.34 0.00 0.00 59.36 59.12 3hj0 h GLU 89 Cb 1.18 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.73 3hj0 h GLU 89 CO 0.65 0.94 0.62 -3.38 -1.16 0.00 0.00 179.01 176.69 3hj0 s HIS 90 N -4.36 -0.08 -0.12 4.33 -3.43 -1.26 -3.81 115.29 106.56 3hj0 s HIS 90 Ca -0.09 -0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 54.01 3hj0 s HIS 90 Cb 0.12 0.61 -0.02 0.00 -1.43 0.00 0.00 32.58 31.86 3hj0 s HIS 90 CO 0.84 -0.63 -0.10 0.00 -2.00 0.00 0.00 174.74 172.85 3hj0 s ALA 91 N -2.86 2.76 -0.04 -1.38 0.00 -0.42 -4.89 121.76 114.92 3hj0 s ALA 91 Ca 0.14 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.26 3hj0 s ALA 91 Cb 0.01 -1.28 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 3hj0 s ALA 91 CO 0.00 0.30 -0.15 -1.83 0.00 0.00 0.00 175.76 174.08 3hj0 s GLU 92 N 0.16 1.57 -0.20 0.00 1.03 -1.26 -0.34 118.70 119.65 3hj0 s GLU 92 Ca -0.05 -0.52 -0.01 0.00 0.03 0.00 0.00 54.97 54.42 3hj0 s GLU 92 Cb -0.15 -1.38 0.01 0.00 -0.80 0.00 0.00 34.13 31.82 3hj0 s GLU 92 CO 0.04 0.20 -0.13 0.08 -1.33 0.00 0.00 175.26 174.12 3hj0 s VAL 93 N 0.11 2.58 -0.13 1.83 1.01 0.34 -4.95 120.40 121.19 3hj0 s VAL 93 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3hj0 s VAL 93 Cb -0.11 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3hj0 s VAL 93 CO 0.02 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.65 3hj0 s VAL 94 N 1.35 1.98 0.17 2.92 1.01 -1.26 -0.28 120.40 126.29 3hj0 s VAL 94 Ca 0.04 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 3hj0 s VAL 94 Cb -0.14 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3hj0 s VAL 94 CO -0.09 0.54 0.46 0.72 0.00 0.00 0.00 175.10 176.73 3hj0 s PHE 95 N 0.71 -0.09 -0.21 5.22 -0.71 -0.41 -5.00 117.98 117.51 3hj0 s PHE 95 Ca -0.10 -0.25 -0.10 0.00 -1.04 0.00 0.00 56.93 55.44 3hj0 s PHE 95 Cb -0.16 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 3hj0 s PHE 95 CO 0.01 -0.83 0.14 0.99 -1.34 0.00 0.00 175.22 174.19 3hj0 s THR 96 N -3.86 5.40 -0.06 -4.49 2.01 -1.26 -0.73 115.64 112.65 3hj0 s THR 96 Ca 0.08 0.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 3hj0 s THR 96 Cb 0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3hj0 s THR 96 CO -0.05 0.43 0.89 0.00 -0.69 0.00 0.00 174.62 175.19 3hj0 s ALA 97 N 0.46 3.30 -0.12 7.40 0.00 0.06 -4.96 121.76 127.90 3hj0 s ALA 97 Ca 0.08 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 3hj0 s ALA 97 Cb -0.11 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.79 3hj0 s ALA 97 CO -0.01 -0.33 -0.08 -0.80 0.00 0.00 0.00 175.76 174.54 3hj0 s ASN 98 N 0.99 2.33 0.48 0.00 0.01 -1.26 -2.92 114.94 114.57 3hj0 s ASN 98 Ca 0.46 -0.37 0.32 0.00 -0.71 0.00 0.00 52.86 52.55 3hj0 s ASN 98 Cb -0.19 -0.90 1.47 0.00 0.41 0.00 0.00 41.25 42.04 3hj0 s ASN 98 CO 0.21 -0.12 1.96 0.44 -1.51 0.00 0.00 177.10 178.08 3hj0 h ASP 99 N 8.15 0.00 1.02 -1.22 3.32 -1.96 -2.53 116.42 123.20 3hj0 h ASP 99 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3hj0 h ASP 99 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3hj0 h ASP 99 CO 0.42 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.74 3hj0 n SER 100 N -2.78 0.57 -2.94 6.45 7.64 -1.26 -4.79 113.62 116.50 3hj0 n SER 100 Ca 0.00 0.59 -0.07 0.00 1.01 0.00 0.00 58.87 60.40 3hj0 n SER 100 Cb 0.21 -0.73 0.01 0.00 -1.01 0.00 0.00 64.21 62.69 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 0.67 2.45 3.65 0.23 0.00 -0.95 -5.10 105.19 106.14 3hj0 n GLY 101 Ca 0.04 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 3hj0 n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hj0 s PRO 102 N -2.80 0.60 0.05 1.61 0.02 -1.26 -4.96 135.00 128.26 3hj0 s PRO 102 Ca 0.15 0.94 0.21 0.00 0.02 0.00 0.00 61.00 62.32 3hj0 s PRO 102 Cb -0.01 -1.72 -0.19 0.00 0.02 0.00 0.00 34.50 32.60 3hj0 s PRO 102 CO 0.10 -2.73 0.68 0.54 -0.33 0.00 0.00 177.00 175.26 3hj0 n ARG 103 N -4.23 0.64 -4.72 5.54 5.12 -0.78 -4.72 116.66 113.51 3hj0 n ARG 103 Ca 0.07 -0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.64 3hj0 n ARG 103 Cb 0.54 -1.66 -0.15 0.00 -1.16 0.00 0.00 32.46 30.03 3hj0 n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3hj0 s ARG 104 N -3.30 3.27 -0.18 5.56 0.52 0.14 -4.74 118.95 120.21 3hj0 s ARG 104 Ca -0.05 -0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 3hj0 s ARG 104 Cb 0.11 -2.59 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 3hj0 s ARG 104 CO 0.85 0.12 -0.08 0.71 0.02 0.00 0.00 175.30 176.92 3hj0 s TYR 105 N 0.56 2.91 -0.19 -0.53 1.51 0.01 -1.23 117.35 120.39 3hj0 s TYR 105 Ca -0.09 -0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 55.13 3hj0 s TYR 105 Cb -0.16 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 3hj0 s TYR 105 CO 0.04 -0.39 -0.08 0.99 -1.11 0.00 0.00 175.55 175.00 3hj0 s THR 106 N 0.97 3.22 -0.31 -0.71 2.01 0.05 -0.96 115.64 119.91 3hj0 s THR 106 Ca -0.01 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 3hj0 s THR 106 Cb -0.15 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 3hj0 s THR 106 CO -0.00 0.46 0.16 -0.63 -0.69 0.00 0.00 174.62 173.92 3hj0 s ILE 107 N 1.13 4.68 -0.04 1.82 -1.09 -0.05 -1.03 121.20 126.61 3hj0 s ILE 107 Ca 0.01 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 3hj0 s ILE 107 Cb -0.14 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3hj0 s ILE 107 CO -0.02 0.07 -0.11 0.00 -1.23 0.00 0.00 174.94 173.65 3hj0 s ALA 108 N 1.63 2.80 -0.01 9.38 0.00 -0.55 -0.89 121.76 134.12 3hj0 s ALA 108 Ca 0.05 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.05 3hj0 s ALA 108 Cb -0.17 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 3hj0 s ALA 108 CO 0.07 0.57 -0.07 0.00 0.00 0.00 0.00 175.76 176.33 3hj0 s ALA 109 N -0.81 0.62 -0.21 0.00 0.00 0.08 -1.55 121.76 119.88 3hj0 s ALA 109 Ca 0.13 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3hj0 s ALA 109 Cb -0.11 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.88 3hj0 s ALA 109 CO 0.02 0.15 -0.15 -1.17 0.00 0.00 0.00 175.76 174.61 3hj0 s LEU 110 N -0.14 2.68 -0.13 0.00 2.96 -0.01 -0.75 118.68 123.30 3hj0 s LEU 110 Ca 0.02 -0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 52.90 3hj0 s LEU 110 Cb -0.03 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 3hj0 s LEU 110 CO -0.00 -0.10 0.05 -0.76 -1.32 0.00 0.00 176.35 174.23 3hj0 s LEU 111 N 1.23 3.85 0.25 -0.68 1.43 0.15 -1.56 118.68 123.34 3hj0 s LEU 111 Ca -0.01 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3hj0 s LEU 111 Cb -0.16 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 3hj0 s LEU 111 CO -0.09 0.31 0.01 -0.44 0.23 0.00 0.00 176.35 176.37 3hj0 s SER 112 N -0.47 1.90 0.32 2.29 0.01 -0.03 -1.00 113.70 116.73 3hj0 s SER 112 Ca 0.10 -1.24 -0.00 0.00 1.31 0.00 0.00 55.95 56.11 3hj0 s SER 112 Cb -0.12 -0.00 0.53 0.00 0.21 0.00 0.00 66.02 66.63 3hj0 s SER 112 CO 0.02 -0.53 1.98 -0.65 0.41 0.00 0.00 173.24 174.47 3hj0 h PRO 113 N 2.42 0.98 -0.22 12.44 0.11 -1.99 -3.03 132.00 142.70 3hj0 h PRO 113 Ca -0.39 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hj0 h PRO 113 Cb 1.23 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hj0 h PRO 113 CO 0.65 0.65 0.00 0.66 -0.21 0.00 0.00 178.00 179.75 3hj0 n TYR 114 N -4.43 0.39 -3.54 0.65 4.02 -1.26 -1.07 117.16 111.93 3hj0 n TYR 114 Ca 0.09 -0.60 -0.14 0.00 -0.01 0.00 0.00 57.90 57.24 3hj0 n TYR 114 Cb 0.05 -0.09 -0.05 0.00 -0.02 0.00 0.00 39.34 39.23 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 -1.28 -0.49 0.05 7.72 1.04 -1.15 -4.97 113.70 114.62 3hj0 s SER 115 Ca 0.21 0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.75 3hj0 s SER 115 Cb 0.14 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3hj0 s SER 115 CO 0.10 -0.74 0.29 -0.72 0.98 0.00 0.00 173.24 173.15 3hj0 s TYR 116 N -2.42 -0.08 0.09 5.02 -0.85 -1.26 -0.85 117.35 117.00 3hj0 s TYR 116 Ca -0.05 -0.11 0.10 0.00 -0.52 0.00 0.00 57.07 56.48 3hj0 s TYR 116 Cb -0.01 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.38 3hj0 s TYR 116 CO -0.01 -0.52 -0.25 -1.12 -1.52 0.00 0.00 175.55 172.13 3hj0 s SER 117 N -2.20 3.04 0.00 -0.18 0.01 -0.60 -4.99 113.70 108.78 3hj0 s SER 117 Ca -0.03 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.53 3hj0 s SER 117 Cb -0.00 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 3hj0 s SER 117 CO -0.05 0.18 0.05 0.28 0.41 0.00 0.00 173.24 174.11 3hj0 s THR 118 N -0.97 0.07 0.12 1.44 -1.32 -1.26 -0.83 115.64 112.89 3hj0 s THR 118 Ca 0.11 -0.58 -0.03 0.00 -1.21 0.00 0.00 61.69 59.99 3hj0 s THR 118 Cb -0.10 -0.27 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 3hj0 s THR 118 CO 0.04 -0.32 0.09 0.28 -2.21 0.00 0.00 174.62 172.50 3hj0 s THR 119 N -1.00 0.11 -0.07 5.08 -1.32 -0.60 -5.01 115.64 112.83 3hj0 s THR 119 Ca -0.11 -1.78 0.04 0.00 -1.21 0.00 0.00 61.69 58.63 3hj0 s THR 119 Cb -0.07 -1.91 -0.02 0.00 -1.51 0.00 0.00 72.50 69.00 3hj0 s THR 119 CO 0.00 -0.52 -0.19 0.00 -2.21 0.00 0.00 174.62 171.70 3hj0 s ALA 120 N -4.01 2.41 -0.26 11.08 0.00 -1.26 -1.48 121.76 128.24 3hj0 s ALA 120 Ca 0.20 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3hj0 s ALA 120 Cb 0.07 -0.88 0.06 0.00 0.00 0.00 0.00 23.12 22.37 3hj0 s ALA 120 CO -0.01 0.42 -0.10 0.08 0.00 0.00 0.00 175.76 176.16 3hj0 s VAL 121 N -0.22 2.13 -0.23 0.00 1.01 -0.20 -4.99 120.40 117.90 3hj0 s VAL 121 Ca -0.01 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.34 3hj0 s VAL 121 Cb -0.13 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.02 3hj0 s VAL 121 CO 0.03 -0.07 -0.13 -0.69 0.00 0.00 0.00 175.10 174.25 3hj0 s VAL 122 N 1.11 2.30 0.21 2.92 1.01 -1.26 -0.77 120.40 125.92 3hj0 s VAL 122 Ca -0.08 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.64 3hj0 s VAL 122 Cb -0.20 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3hj0 s VAL 122 CO -0.05 0.20 0.05 0.42 0.00 0.00 0.00 175.10 175.72 3hj0 s THR 123 N 1.21 0.60 -1.87 3.92 -4.23 -0.37 -4.79 115.64 110.12 3hj0 s THR 123 Ca -0.02 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 58.64 3hj0 s THR 123 Cb -0.17 -2.37 0.12 0.00 1.34 0.00 0.00 72.50 71.42 3hj0 s THR 123 CO -0.07 -0.24 0.97 0.59 -0.54 0.00 0.00 174.62 175.33