#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjd s ASP 9 N 0.00 3.14 0.23 0.00 1.47 -1.26 -4.76 116.67 115.48 1hjd s ASP 9 Ca 0.00 -1.03 0.06 0.00 1.18 0.00 0.00 52.55 52.76 1hjd s ASP 9 Cb 0.00 -0.52 -0.05 0.00 -0.34 0.00 0.00 42.92 42.00 1hjd s ASP 9 CO 0.00 -0.36 -0.07 -0.13 0.68 0.00 0.00 175.17 175.29 1hjd s ARG 10 N 1.92 1.38 -0.11 2.11 0.52 -1.26 -0.81 118.95 122.69 1hjd s ARG 10 Ca 0.04 -1.67 -0.11 0.00 -0.52 0.00 0.00 55.73 53.47 1hjd s ARG 10 Cb -0.17 -0.93 0.03 0.00 0.52 0.00 0.00 34.95 34.40 1hjd s ARG 10 CO -0.17 0.04 0.32 0.21 0.02 0.00 0.00 175.30 175.71 1hjd s LYS 11 N -3.75 0.38 0.09 3.54 2.20 0.99 -3.59 119.74 119.61 1hjd s LYS 11 Ca 0.26 0.41 -0.21 0.00 -0.36 0.00 0.00 55.97 56.07 1hjd s LYS 11 Cb 0.03 0.19 -0.07 0.00 -1.51 0.00 0.00 37.83 36.47 1hjd s LYS 11 CO 0.08 -0.05 0.62 -0.51 -0.36 0.00 0.00 175.35 175.13 1hjd s LEU 12 N 0.10 4.54 0.05 5.43 1.02 -1.26 0.18 118.68 128.74 1hjd s LEU 12 Ca -0.01 1.35 -0.01 0.00 0.02 0.00 0.00 54.13 55.48 1hjd s LEU 12 Cb -0.02 -2.98 -0.04 0.00 0.02 0.00 0.00 46.19 43.17 1hjd s LEU 12 CO 0.01 0.26 -0.01 0.00 0.02 0.00 0.00 176.35 176.62 1hjd n ALA 14 N 0.26 2.18 -0.70 0.00 0.00 -1.25 -0.91 120.51 120.09 1hjd n ALA 14 Ca -0.15 -3.02 0.08 0.00 0.00 0.00 0.00 53.44 50.34 1hjd n ALA 14 Cb 0.60 -3.61 -0.02 0.00 0.00 0.00 0.00 19.45 16.42 1hjd n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hjd n ASP 15 N 10.13 -4.18 0.02 0.00 8.00 -1.26 0.05 116.55 129.32 1hjd n ASP 15 Ca 0.47 0.60 0.16 0.00 0.71 0.00 0.00 54.79 56.74 1hjd n ASP 15 Cb 0.42 -1.70 0.64 0.00 -0.02 0.00 0.00 41.12 40.47 1hjd n ASP 15 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1hjd h GLN 16 N 0.00 0.09 0.27 -1.24 4.20 -1.94 -2.86 115.11 113.62 1hjd h GLN 16 Ca 0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1hjd h GLN 16 Cb 0.51 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1hjd h GLN 16 CO 0.00 0.06 -0.13 0.93 -0.67 0.00 0.00 178.83 179.02 1hjd h GLU 17 N 0.09 -0.35 -3.43 1.46 4.39 -1.96 -3.47 114.58 111.32 1hjd h GLU 17 Ca 0.22 0.02 -0.39 0.00 0.34 0.00 0.00 59.36 59.55 1hjd h GLU 17 Cb 0.74 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1hjd h GLU 17 CO -0.02 -0.23 -0.52 0.00 -1.16 0.00 0.00 179.01 177.07 1hjd h SER 19 N -0.28 -0.07 -4.11 0.00 4.64 -1.91 -3.44 113.55 108.38 1hjd h SER 19 Ca -0.48 -0.33 -0.46 0.00 -0.47 0.00 0.00 61.79 60.05 1hjd h SER 19 Cb 1.35 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1hjd h SER 19 CO 0.55 0.30 0.35 -1.00 -0.87 0.00 0.00 176.83 176.16 1hjd s HIS 20 N -4.69 3.39 1.18 4.77 3.76 -1.26 -5.06 115.29 117.38 1hjd s HIS 20 Ca -0.15 1.51 -0.17 0.00 -0.15 0.00 0.00 55.06 56.09 1hjd s HIS 20 Cb 0.03 -2.80 0.27 0.00 1.11 0.00 0.00 32.58 31.19 1hjd s HIS 20 CO 0.64 -0.24 1.08 -1.25 -0.85 0.00 0.00 174.74 174.12 1hjd s PRO 21 N -3.67 -1.00 -0.13 8.40 0.04 -1.26 -4.71 135.00 132.66 1hjd s PRO 21 Ca 0.60 0.16 -0.23 0.00 0.04 0.00 0.00 61.00 61.57 1hjd s PRO 21 Cb -0.10 -1.60 -0.26 0.00 0.04 0.00 0.00 34.50 32.59 1hjd s PRO 21 CO 0.23 -3.61 0.62 0.97 0.04 0.00 0.00 177.00 175.25 1hjd h ILE 22 N -2.52 1.39 -1.08 0.56 6.09 -0.95 -3.23 117.51 117.77 1hjd h ILE 22 Ca -0.49 -2.36 0.00 0.00 -1.37 0.00 0.00 64.86 60.65 1hjd h ILE 22 Cb 1.31 2.95 0.00 0.00 0.47 0.00 0.00 36.82 41.56 1hjd h ILE 22 CO 0.41 0.58 0.00 -1.54 -3.07 0.00 0.00 178.15 174.53 1hjd n SER 23 N -4.34 0.00 -4.17 2.19 3.41 -0.89 0.03 113.62 109.85 1hjd n SER 23 Ca -0.19 -0.81 -0.26 0.00 -0.26 0.00 0.00 58.87 57.35 1hjd n SER 23 Cb 0.68 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.47 1hjd n SER 23 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1hjd s MET 24 N -1.44 1.68 -0.12 4.33 1.75 0.21 -1.74 119.30 123.96 1hjd s MET 24 Ca 0.00 -0.66 -0.07 0.00 -1.25 0.00 0.00 55.69 53.70 1hjd s MET 24 Cb 0.00 -1.54 0.05 0.00 2.84 0.00 0.00 34.83 36.17 1hjd s MET 24 CO 0.00 0.35 0.29 0.00 -0.65 0.00 0.00 175.02 175.01 1hjd s ALA 25 N -0.26 -0.71 0.53 4.11 0.00 0.24 -1.56 121.76 124.11 1hjd s ALA 25 Ca 0.03 1.09 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 1hjd s ALA 25 Cb -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1hjd s ALA 25 CO 0.01 -0.20 0.80 0.54 0.00 0.00 0.00 175.76 176.91 1hjd s VAL 26 N 1.07 3.77 -0.21 0.00 0.11 -0.56 0.77 120.40 125.36 1hjd s VAL 26 Ca -0.08 -0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 58.48 1hjd s VAL 26 Cb -0.08 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 1hjd s VAL 26 CO -0.08 -0.40 0.98 0.00 -3.33 0.00 0.00 175.10 172.27 1hjd s ALA 27 N -2.81 3.63 -1.62 1.54 0.00 0.28 0.16 121.76 122.94 1hjd s ALA 27 Ca 0.52 0.14 0.30 0.00 0.00 0.00 0.00 51.96 52.91 1hjd s ALA 27 Cb -0.10 -3.46 1.49 0.00 0.00 0.00 0.00 23.12 21.04 1hjd s ALA 27 CO 0.42 -0.93 2.02 -0.11 0.00 0.00 0.00 175.76 177.15 1hjd n LEU 28 N 6.00 0.18 0.00 0.00 7.94 0.31 -3.69 117.00 127.74 1hjd n LEU 28 Ca 0.10 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1hjd n LEU 28 Cb 0.47 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1hjd n LEU 28 CO 0.51 0.03 0.00 0.00 -1.11 0.00 0.00 177.39 176.82 1hjd n GLN 29 N -1.10 -1.71 -2.40 1.96 10.64 -1.23 -4.96 117.38 118.58 1hjd n GLN 29 Ca 0.16 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.94 1hjd n GLN 29 Cb 0.23 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.58 1hjd n GLN 29 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1hjd s ASP 30 N 0.00 6.90 -0.37 2.61 2.15 -1.26 -3.93 116.67 122.78 1hjd s ASP 30 Ca 0.00 2.28 0.06 0.00 0.43 0.00 0.00 52.55 55.33 1hjd s ASP 30 Cb 0.00 -2.62 0.19 0.00 -0.30 0.00 0.00 42.92 40.19 1hjd s ASP 30 CO 0.00 -0.40 0.65 -0.47 -0.17 0.00 0.00 175.17 174.77 1hjd s TYR 31 N -1.33 -1.69 -0.48 -5.34 5.04 0.18 -4.93 117.35 108.80 1hjd s TYR 31 Ca 0.51 0.49 -0.27 0.00 -2.44 0.00 0.00 57.07 55.36 1hjd s TYR 31 Cb -0.30 0.30 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 1hjd s TYR 31 CO 0.39 -1.09 2.06 1.41 -1.34 0.00 0.00 175.55 176.98 1hjd s MET 32 N 2.16 2.65 -0.94 4.97 -2.45 -1.26 -1.13 119.30 123.29 1hjd s MET 32 Ca 0.14 1.18 -0.28 0.00 -1.25 0.00 0.00 55.69 55.48 1hjd s MET 32 Cb -0.05 -4.41 -0.21 0.00 1.25 0.00 0.00 34.83 31.40 1hjd s MET 32 CO -0.13 -2.67 2.52 0.00 1.05 0.00 0.00 175.02 175.79 1hjd n ALA 33 N 13.18 0.31 -1.23 4.11 0.00 -1.26 -4.76 120.51 130.86 1hjd n ALA 33 Ca 0.27 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 1hjd n ALA 33 Cb 0.51 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 1hjd n ALA 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1hjd n PRO 34 N 7.88 3.09 -3.34 0.00 -0.04 -1.26 -4.40 135.00 136.93 1hjd n PRO 34 Ca 0.62 -1.82 -0.15 0.00 -0.04 0.00 0.00 63.50 62.11 1hjd n PRO 34 Cb 0.03 -2.48 -0.07 0.00 -0.04 0.00 0.00 33.50 30.94 1hjd n PRO 34 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1hjd s ASP 35 N 1.98 0.89 0.00 3.54 -1.08 -1.26 -5.03 116.67 115.71 1hjd s ASP 35 Ca 0.68 -1.59 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 1hjd s ASP 35 Cb 0.24 0.67 0.00 0.00 -1.46 0.00 0.00 42.92 42.37 1hjd s ASP 35 CO -0.04 -0.24 0.00 0.00 0.52 0.00 0.00 175.17 175.41 1hjd n ARG 37 N 0.00 0.47 -0.69 0.00 0.63 -1.26 -5.16 116.66 110.65 1hjd n ARG 37 Ca 0.00 -0.92 -0.14 0.00 -0.92 0.00 0.00 57.85 55.88 1hjd n ARG 37 Cb 0.00 0.01 0.10 0.00 0.45 0.00 0.00 32.46 33.03 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1hjd n PHE 38 N -0.55 -3.72 -2.71 -0.14 3.72 -1.04 -4.97 117.46 108.05 1hjd n PHE 38 Ca -0.19 -0.50 -0.43 0.00 -0.05 0.00 0.00 57.45 56.28 1hjd n PHE 38 Cb 0.69 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1hjd n PHE 38 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1hjd s LEU 39 N 0.00 3.94 0.93 4.37 0.20 -1.26 -4.72 118.68 122.13 1hjd s LEU 39 Ca 0.34 0.82 -0.12 0.00 0.69 0.00 0.00 54.13 55.85 1hjd s LEU 39 Cb -0.02 -3.41 0.15 0.00 -0.43 0.00 0.00 46.19 42.47 1hjd s LEU 39 CO 0.25 -0.88 1.13 0.28 -0.29 0.00 0.00 176.35 176.83 1hjd s THR 40 N 3.61 2.01 -0.01 3.68 -1.32 -1.26 -4.58 115.64 117.77 1hjd s THR 40 Ca 0.42 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.96 1hjd s THR 40 Cb -0.12 -2.71 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 1hjd s THR 40 CO 0.18 -0.00 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.77 1hjd s ILE 41 N -3.23 2.76 0.02 5.08 -1.09 -0.29 -4.88 121.20 119.58 1hjd s ILE 41 Ca 0.64 -0.98 0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1hjd s ILE 41 Cb -0.15 -2.10 -0.01 0.00 -1.58 0.00 0.00 42.46 38.62 1hjd s ILE 41 CO 0.54 0.48 -0.08 -2.28 -1.23 0.00 0.00 174.94 172.38 1hjd s HIS 42 N -0.79 0.68 0.88 3.97 2.46 -1.25 0.47 115.29 121.70 1hjd s HIS 42 Ca 0.12 -0.29 -0.16 0.00 0.47 0.00 0.00 55.06 55.21 1hjd s HIS 42 Cb -0.10 -0.42 -0.09 0.00 -0.13 0.00 0.00 32.58 31.84 1hjd s HIS 42 CO 0.02 -0.03 -0.23 0.54 -2.47 0.00 0.00 174.74 172.57 1hjd n ARG 43 N 2.22 -0.02 -3.59 2.88 5.12 -1.25 -2.20 116.66 119.81 1hjd n ARG 43 Ca -0.17 0.01 -0.25 0.00 -1.93 0.00 0.00 57.85 55.51 1hjd n ARG 43 Cb 0.56 -1.32 -0.03 0.00 -1.16 0.00 0.00 32.46 30.51 1hjd n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hjd n GLY 44 N 2.62 -0.46 3.12 -0.13 0.00 -1.24 -4.91 105.19 104.18 1hjd n GLY 44 Ca 0.03 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1hjd n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hjd s GLN 45 N -6.23 2.51 0.69 1.61 0.74 -0.93 -4.95 119.66 113.10 1hjd s GLN 45 Ca 0.47 -1.18 -0.14 0.00 0.05 0.00 0.00 55.36 54.56 1hjd s GLN 45 Cb -0.26 -2.89 0.02 0.00 1.10 0.00 0.00 33.01 30.97 1hjd s GLN 45 CO 0.58 -0.48 1.11 0.08 -0.55 0.00 0.00 175.29 176.02 1hjd s VAL 46 N 1.20 3.26 0.10 1.34 1.01 -1.26 0.10 120.40 126.15 1hjd s VAL 46 Ca -0.04 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1hjd s VAL 46 Cb -0.18 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1hjd s VAL 46 CO -0.06 -0.41 0.25 -0.69 0.00 0.00 0.00 175.10 174.19 1hjd s VAL 47 N -2.49 0.12 -0.27 2.92 1.01 0.23 -0.16 120.40 121.76 1hjd s VAL 47 Ca 0.65 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1hjd s VAL 47 Cb -0.20 -1.32 0.09 0.00 0.00 0.00 0.00 36.38 34.95 1hjd s VAL 47 CO 0.45 -0.55 0.07 -0.31 0.00 0.00 0.00 175.10 174.77 1hjd s TYR 48 N -3.85 1.47 0.16 5.22 1.51 0.30 0.79 117.35 122.94 1hjd s TYR 48 Ca 0.05 -1.43 -0.30 0.00 -1.01 0.00 0.00 57.07 54.37 1hjd s TYR 48 Cb 0.04 -1.46 -0.08 0.00 -0.11 0.00 0.00 41.96 40.35 1hjd s TYR 48 CO -0.11 -0.79 1.27 0.08 -1.11 0.00 0.00 175.55 174.89 1hjd s VAL 49 N 1.70 3.49 -0.08 0.71 1.01 -0.71 -0.72 120.40 125.80 1hjd s VAL 49 Ca 0.06 1.17 0.13 0.00 0.00 0.00 0.00 61.98 63.34 1hjd s VAL 49 Cb -0.17 -3.75 -0.19 0.00 0.00 0.00 0.00 36.38 32.27 1hjd s VAL 49 CO -0.20 0.15 0.17 0.33 0.00 0.00 0.00 175.10 175.55 1hjd n PHE 50 N 3.04 0.00 -3.46 5.22 -0.00 -0.01 -0.55 117.46 121.70 1hjd n PHE 50 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.40 1hjd n PHE 50 Cb 0.44 -0.49 -0.02 0.00 -0.00 0.00 0.00 39.48 39.41 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1hjd s SER 51 N -4.14 -0.54 -0.37 -2.13 1.04 -0.39 -4.00 113.70 103.17 1hjd s SER 51 Ca -0.06 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.31 1hjd s SER 51 Cb 0.06 0.61 0.14 0.00 0.10 0.00 0.00 66.02 66.93 1hjd s SER 51 CO 0.56 -1.00 0.22 -1.59 0.98 0.00 0.00 173.24 172.41 1hjd s LYS 52 N -3.77 0.69 0.07 4.02 -2.85 -1.25 0.25 119.74 116.89 1hjd s LYS 52 Ca 0.02 -1.47 -0.31 0.00 -1.00 0.00 0.00 55.97 53.21 1hjd s LYS 52 Cb -0.01 -1.49 -0.07 0.00 -2.06 0.00 0.00 37.83 34.20 1hjd s LYS 52 CO -0.11 -1.21 1.39 -1.17 0.10 0.00 0.00 175.35 174.35 1hjd s LEU 53 N 0.91 4.35 0.00 2.77 0.20 -1.26 -4.14 118.68 121.52 1hjd s LEU 53 Ca 0.18 2.23 0.00 0.00 0.69 0.00 0.00 54.13 57.24 1hjd s LEU 53 Cb -0.22 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 41.96 1hjd s LEU 53 CO 0.00 -0.67 0.00 2.29 -0.29 0.00 0.00 176.35 177.68 1hjd n LYS 54 N 4.51 1.69 -1.12 1.98 2.85 -1.24 -0.94 118.16 125.90 1hjd n LYS 54 Ca 0.12 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.34 1hjd n LYS 54 Cb 0.43 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.79 1hjd n LYS 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1hjd n GLY 55 N 3.34 0.50 0.00 2.58 0.00 -1.26 -3.60 105.19 106.74 1hjd n GLY 55 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1hjd n GLY 55 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hjd n ARG 56 N -0.62 0.00 -0.39 1.61 1.85 -1.26 -4.74 116.66 113.10 1hjd n ARG 56 Ca -0.04 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.88 1hjd n ARG 56 Cb 0.42 0.00 0.14 0.00 -1.05 0.00 0.00 32.46 31.96 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1hjd n GLY 57 N 0.00 4.14 0.27 2.89 0.00 -1.24 -4.80 105.19 106.45 1hjd n GLY 57 Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 45.03 1hjd n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hjd h ARG 58 N 0.37 0.42 0.00 1.61 2.43 -1.27 0.34 114.38 118.28 1hjd h ARG 58 Ca -0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1hjd h ARG 58 Cb 1.12 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1hjd h ARG 58 CO 0.01 0.28 0.00 1.37 -1.51 0.00 0.00 179.97 180.12 1hjd h LEU 59 N 0.44 0.00 -7.36 3.80 8.10 -1.87 -3.33 115.31 115.09 1hjd h LEU 59 Ca 0.38 0.00 -0.65 0.00 0.11 0.00 0.00 57.88 57.72 1hjd h LEU 59 Cb 0.54 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 40.36 1hjd h LEU 59 CO -0.37 0.00 -0.56 0.12 -4.11 0.00 0.00 178.44 173.51 1hjd s PHE 60 N -3.56 3.30 0.40 0.17 5.36 0.12 -1.33 117.98 122.44 1hjd s PHE 60 Ca -0.01 -3.13 -0.15 0.00 -0.96 0.00 0.00 56.93 52.68 1hjd s PHE 60 Cb 0.08 -2.88 -0.09 0.00 -0.34 0.00 0.00 43.02 39.80 1hjd s PHE 60 CO 0.29 -0.73 0.84 -1.58 -1.46 0.00 0.00 175.22 172.58 1hjd s TRP 61 N -0.48 3.40 -0.21 10.12 0.52 -0.22 -4.32 118.94 127.75 1hjd s TRP 61 Ca 0.19 1.31 -0.13 0.00 0.02 0.00 0.00 56.10 57.49 1hjd s TRP 61 Cb -0.21 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.43 1hjd s TRP 61 CO -0.03 -0.09 0.27 0.20 0.02 0.00 0.00 176.95 177.31 1hjd s GLY 62 N -2.63 2.05 0.00 0.98 0.00 0.14 0.00 107.32 107.85 1hjd s GLY 62 Ca 0.56 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1hjd s GLY 62 CO 0.23 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.49 1hjd n GLY 63 N 4.01 3.51 3.52 0.20 0.00 -0.21 -0.83 105.19 115.38 1hjd n GLY 63 Ca -0.12 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 1hjd n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hjd s SER 64 N 1.10 -0.82 0.50 1.61 0.01 0.10 0.21 113.70 116.41 1hjd s SER 64 Ca 0.00 1.35 -0.20 0.00 1.31 0.00 0.00 55.95 58.41 1hjd s SER 64 Cb 0.00 1.63 -0.08 0.00 0.21 0.00 0.00 66.02 67.78 1hjd s SER 64 CO 0.00 -0.22 1.06 0.68 0.41 0.00 0.00 173.24 175.16 1hjd s VAL 65 N 2.26 3.66 0.76 3.43 -7.23 -1.26 0.11 120.40 122.13 1hjd s VAL 65 Ca -0.07 1.03 -0.15 0.00 -1.81 0.00 0.00 61.98 60.98 1hjd s VAL 65 Cb -0.09 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1hjd s VAL 65 CO -0.17 -0.23 0.76 0.00 -0.31 0.00 0.00 175.10 175.15 1hjd n GLN 66 N -1.05 0.30 0.00 4.82 10.64 0.77 -4.83 117.38 128.02 1hjd n GLN 66 Ca 0.10 0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.42 1hjd n GLN 66 Cb 0.52 -2.05 0.00 0.00 -0.86 0.00 0.00 30.24 27.85 1hjd n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1hjd n GLY 67 N 1.29 -0.19 3.88 2.61 0.00 -1.26 -4.94 105.19 106.58 1hjd n GLY 67 Ca 0.11 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1hjd n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hjd s ASP 68 N 0.35 4.49 -0.31 1.61 1.01 -1.26 -5.05 116.67 117.51 1hjd s ASP 68 Ca 0.00 -1.41 0.08 0.00 0.71 0.00 0.00 52.55 51.93 1hjd s ASP 68 Cb 0.00 0.58 0.49 0.00 1.01 0.00 0.00 42.92 45.00 1hjd s ASP 68 CO 0.00 -1.10 1.44 0.00 0.21 0.00 0.00 175.17 175.71 1hjd n TYR 69 N -1.68 1.39 -4.02 4.23 0.18 -1.26 -4.94 117.16 111.06 1hjd n TYR 69 Ca -0.07 -1.80 -0.33 0.00 1.88 0.00 0.00 57.90 57.58 1hjd n TYR 69 Cb 0.65 -0.51 -0.15 0.00 -0.38 0.00 0.00 39.34 38.95 1hjd n TYR 69 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1hjd s TYR 70 N -3.35 3.34 0.00 -3.48 5.04 -1.26 -5.03 117.35 112.61 1hjd s TYR 70 Ca 0.46 -2.30 0.00 0.00 -2.44 0.00 0.00 57.07 52.79 1hjd s TYR 70 Cb 0.41 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 40.59 1hjd s TYR 70 CO -0.01 -0.87 0.00 0.41 -1.34 0.00 0.00 175.55 173.74 1hjd n GLY 71 N 4.46 4.28 0.00 8.97 0.00 -1.26 -4.37 105.19 117.27 1hjd n GLY 71 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1hjd n GLY 71 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hjd n ASP 72 N 8.99 0.00 -2.81 1.61 2.03 -1.26 -5.09 116.55 120.01 1hjd n ASP 72 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1hjd n ASP 72 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1hjd n ASP 72 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1hjd n LEU 73 N 0.00 -2.97 0.00 -2.67 4.77 -1.26 -5.04 117.00 109.83 1hjd n LEU 73 Ca 0.00 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 1hjd n LEU 73 Cb 0.00 0.77 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1hjd n LEU 73 CO 0.00 1.96 0.00 0.00 -1.33 0.00 0.00 177.39 178.02 1hjd n ALA 74 N 2.46 0.00 -3.52 -1.18 0.00 -1.26 -5.17 120.51 111.84 1hjd n ALA 74 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1hjd n ALA 74 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 1hjd n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjd s ALA 75 N 0.00 -1.78 -0.46 0.00 0.00 -1.26 -4.72 121.76 113.54 1hjd s ALA 75 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 1hjd s ALA 75 Cb 0.00 0.49 0.06 0.00 0.00 0.00 0.00 23.12 23.67 1hjd s ALA 75 CO 0.00 -0.73 0.38 1.03 0.00 0.00 0.00 175.76 176.43 1hjd s ARG 76 N -3.20 2.97 0.11 0.00 0.52 -1.26 -5.04 118.95 113.04 1hjd s ARG 76 Ca 0.05 -1.30 -0.31 0.00 -0.52 0.00 0.00 55.73 53.66 1hjd s ARG 76 Cb -0.01 -4.10 -0.10 0.00 0.52 0.00 0.00 34.95 31.26 1hjd s ARG 76 CO -0.08 -0.98 1.75 -1.17 0.02 0.00 0.00 175.30 174.84 1hjd s LEU 77 N 1.64 4.38 0.00 2.53 0.20 -1.26 -4.60 118.68 121.58 1hjd s LEU 77 Ca 0.04 2.65 0.00 0.00 0.69 0.00 0.00 54.13 57.52 1hjd s LEU 77 Cb -0.23 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 41.96 1hjd s LEU 77 CO 0.07 -0.95 0.02 0.61 -0.29 0.00 0.00 176.35 175.81 1hjd n GLY 78 N 4.12 3.73 2.85 7.98 0.00 0.13 -4.93 105.19 119.07 1hjd n GLY 78 Ca 0.17 -2.30 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 1hjd n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hjd s TYR 79 N -2.03 1.28 0.08 1.61 1.51 -1.26 -1.05 117.35 117.50 1hjd s TYR 79 Ca 0.02 -0.70 -0.25 0.00 -1.01 0.00 0.00 57.07 55.13 1hjd s TYR 79 Cb -0.00 -1.12 0.06 0.00 -0.11 0.00 0.00 41.96 40.79 1hjd s TYR 79 CO 0.01 -0.51 0.60 -0.59 -1.11 0.00 0.00 175.55 173.95 1hjd s PHE 80 N 1.77 -0.53 0.38 2.71 -0.12 0.10 -4.77 117.98 117.52 1hjd s PHE 80 Ca 0.03 0.54 -0.28 0.00 -0.05 0.00 0.00 56.93 57.17 1hjd s PHE 80 Cb -0.14 0.47 -0.11 0.00 -0.63 0.00 0.00 43.02 42.61 1hjd s PHE 80 CO -0.07 -0.74 1.44 -0.35 -0.05 0.00 0.00 175.22 175.44 1hjd n PRO 81 N 0.10 2.51 0.17 1.99 -0.04 -0.44 -1.05 135.00 138.24 1hjd n PRO 81 Ca -0.18 0.88 0.04 0.00 -0.04 0.00 0.00 63.50 64.20 1hjd n PRO 81 Cb 0.62 -2.60 0.26 0.00 -0.04 0.00 0.00 33.50 31.75 1hjd n PRO 81 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1hjd h SER 82 N 2.78 0.00 -1.01 3.54 0.87 -1.86 -3.21 113.55 114.66 1hjd h SER 82 Ca -0.50 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1hjd h SER 82 Cb 1.25 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.09 1hjd h SER 82 CO 0.63 0.45 0.61 0.28 -0.53 0.00 0.00 176.83 178.28 1hjd h SER 83 N 0.00 0.63 -0.03 6.23 0.02 -1.93 0.47 113.55 118.94 1hjd h SER 83 Ca -0.00 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1hjd h SER 83 Cb 1.01 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1hjd h SER 83 CO 0.06 0.09 -0.10 0.40 -1.14 0.00 0.00 176.83 176.14 1hjd h ILE 84 N 0.54 1.18 -1.55 3.27 1.08 -1.95 -3.44 117.51 116.64 1hjd h ILE 84 Ca 0.64 -0.78 -0.46 0.00 -0.39 0.00 0.00 64.86 63.88 1hjd h ILE 84 Cb 1.29 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 1hjd h ILE 84 CO -0.45 0.25 -0.34 0.68 -0.69 0.00 0.00 178.15 177.60 1hjd s VAL 85 N -4.78 3.02 -0.25 1.67 -7.23 0.16 0.11 120.40 113.11 1hjd s VAL 85 Ca -0.06 -1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1hjd s VAL 85 Cb 0.15 -3.06 0.07 0.00 0.56 0.00 0.00 36.38 34.11 1hjd s VAL 85 CO 0.74 -0.03 0.03 -0.60 -0.31 0.00 0.00 175.10 174.93 1hjd s ARG 86 N -4.20 0.96 0.14 4.82 3.52 0.41 -4.71 118.95 119.89 1hjd s ARG 86 Ca 0.50 -0.84 -0.31 0.00 -0.13 0.00 0.00 55.73 54.95 1hjd s ARG 86 Cb -0.07 -2.24 -0.08 0.00 -1.56 0.00 0.00 34.95 31.01 1hjd s ARG 86 CO 0.30 -0.75 1.30 -1.21 -0.81 0.00 0.00 175.30 174.13 1hjd s GLU 87 N 1.62 4.39 0.00 5.12 8.01 -1.26 -1.50 118.70 135.07 1hjd s GLU 87 Ca 0.02 1.98 0.00 0.00 0.01 0.00 0.00 54.97 56.98 1hjd s GLU 87 Cb -0.18 -3.25 0.00 0.00 -4.31 0.00 0.00 34.13 26.39 1hjd s GLU 87 CO -0.13 -0.30 0.00 -3.47 0.01 0.00 0.00 175.26 171.37 1hjd n ASP 88 N 3.37 0.59 -4.85 -0.19 2.03 -0.60 -4.95 116.55 111.94 1hjd n ASP 88 Ca 0.08 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.12 1hjd n ASP 88 Cb 0.44 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.79 1hjd n ASP 88 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1hjd s GLN 89 N -1.98 3.13 0.03 -0.67 0.74 -1.20 -4.99 119.66 114.72 1hjd s GLN 89 Ca 0.00 -0.69 0.01 0.00 0.05 0.00 0.00 55.36 54.73 1hjd s GLN 89 Cb 0.00 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 1hjd s GLN 89 CO 0.00 0.53 -0.05 0.95 -0.55 0.00 0.00 175.29 176.17 1hjd s THR 90 N -1.64 0.32 -0.25 -0.34 -4.23 -1.26 0.63 115.64 108.87 1hjd s THR 90 Ca 0.32 -0.98 0.16 0.00 -1.18 0.00 0.00 61.69 60.02 1hjd s THR 90 Cb -0.11 -0.43 0.40 0.00 1.34 0.00 0.00 72.50 73.70 1hjd s THR 90 CO 0.25 -0.43 1.30 -0.11 -0.54 0.00 0.00 174.62 175.09 1hjd n LEU 91 N 1.56 -0.15 -4.50 4.79 0.00 -0.79 -4.90 117.00 113.02 1hjd n LEU 91 Ca -0.23 -2.91 -0.43 0.00 0.00 0.00 0.00 56.01 52.43 1hjd n LEU 91 Cb 0.55 0.21 -0.04 0.00 0.00 0.00 0.00 43.42 44.13 1hjd n LEU 91 CO 0.20 1.35 0.67 -1.59 0.00 0.00 0.00 177.39 178.03 1hjd s LYS 92 N -1.27 3.26 0.49 1.96 -2.85 0.10 -4.36 119.74 117.07 1hjd s LYS 92 Ca 0.16 -0.47 0.28 0.00 -1.00 0.00 0.00 55.97 54.95 1hjd s LYS 92 Cb 0.35 -4.09 0.96 0.00 -2.06 0.00 0.00 37.83 32.99 1hjd s LYS 92 CO -0.09 -1.49 1.83 -1.00 0.10 0.00 0.00 175.35 174.71 1hjd h PRO 93 N 9.29 0.00 -4.19 1.78 0.13 -1.88 -3.46 132.00 133.67 1hjd h PRO 93 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1hjd h PRO 93 Cb 1.08 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.08 1hjd h PRO 93 CO 1.08 0.08 -0.44 0.20 -0.23 0.00 0.00 178.00 178.69 1hjd s GLY 94 N -4.23 0.95 -0.37 1.56 0.00 -1.26 -4.87 107.32 99.10 1hjd s GLY 94 Ca 0.03 -1.29 0.12 0.00 0.00 0.00 0.00 44.72 43.57 1hjd s GLY 94 CO 0.60 -1.09 1.15 0.58 0.00 0.00 0.00 173.10 174.35 1hjd n LYS 95 N -0.26 1.15 -3.62 2.90 0.00 -1.21 -3.79 118.16 113.33 1hjd n LYS 95 Ca -0.02 -2.45 -0.37 0.00 -0.00 0.00 0.00 58.31 55.47 1hjd n LYS 95 Cb 0.64 -0.65 -0.06 0.00 -0.00 0.00 0.00 35.03 34.96 1hjd n LYS 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1hjd s VAL 96 N -1.19 5.18 0.47 0.58 1.01 -0.09 -4.79 120.40 121.58 1hjd s VAL 96 Ca 0.25 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 1hjd s VAL 96 Cb 0.41 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 1hjd s VAL 96 CO -0.04 0.54 1.00 -0.62 0.00 0.00 0.00 175.10 175.98 1hjd s ASP 97 N -1.20 6.58 -0.15 3.32 2.15 -1.26 0.37 116.67 126.47 1hjd s ASP 97 Ca 0.23 1.78 -0.04 0.00 0.43 0.00 0.00 52.55 54.95 1hjd s ASP 97 Cb -0.15 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.00 1hjd s ASP 97 CO 0.12 -0.62 0.21 -0.69 -0.17 0.00 0.00 175.17 174.02 1hjd s VAL 98 N -2.16 -0.33 -0.14 1.11 1.01 0.48 -4.87 120.40 115.50 1hjd s VAL 98 Ca 0.64 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 1hjd s VAL 98 Cb -0.13 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 1hjd s VAL 98 CO 0.19 -0.01 2.09 -0.75 0.00 0.00 0.00 175.10 176.62 1hjd s LYS 99 N 2.34 3.50 0.70 2.72 2.36 -1.26 -0.01 119.74 130.09 1hjd s LYS 99 Ca 0.04 2.17 -0.11 0.00 -2.55 0.00 0.00 55.97 55.52 1hjd s LYS 99 Cb -0.14 -4.28 0.01 0.00 -1.05 0.00 0.00 37.83 32.38 1hjd s LYS 99 CO -0.09 -1.68 1.08 -0.08 1.55 0.00 0.00 175.35 176.13 1hjd s THR 100 N 6.83 3.72 0.00 3.43 -1.32 0.01 -4.92 115.64 123.40 1hjd s THR 100 Ca 0.94 0.56 0.00 0.00 -1.21 0.00 0.00 61.69 61.98 1hjd s THR 100 Cb -0.35 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.15 1hjd s THR 100 CO 0.37 -0.73 0.00 0.47 -2.21 0.00 0.00 174.62 172.52 1hjd n ASP 101 N -3.03 0.00 0.00 8.08 9.92 -1.26 -4.82 116.55 125.44 1hjd n ASP 101 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1hjd n ASP 101 Cb 0.56 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1hjd n ASP 101 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1hjd n LYS 102 N -2.34 0.83 0.22 -1.24 5.02 -1.26 -4.76 118.16 114.63 1hjd n LYS 102 Ca 0.00 -0.79 0.18 0.00 -2.02 0.00 0.00 58.31 55.68 1hjd n LYS 102 Cb 0.00 -0.81 0.82 0.00 -0.02 0.00 0.00 35.03 35.02 1hjd n LYS 102 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1hjd h TRP 103 N 0.00 0.00 -2.31 2.13 4.06 -2.00 -3.12 115.95 114.72 1hjd h TRP 103 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 1hjd h TRP 103 Cb 0.48 0.00 -0.39 0.00 -1.00 0.00 0.00 29.16 28.25 1hjd h TRP 103 CO 0.00 0.00 -0.94 -3.47 -3.56 0.00 0.00 178.44 170.47 1hjd n ASP 104 N -3.43 0.59 -4.72 -3.49 -0.08 -1.26 -5.11 116.55 99.05 1hjd n ASP 104 Ca 0.02 -2.69 -0.41 0.00 -1.51 0.00 0.00 54.79 50.20 1hjd n ASP 104 Cb 0.43 -0.62 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 1hjd n ASP 104 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1hjd s PHE 105 N -0.81 3.65 -0.64 -0.67 -0.12 -1.18 -4.98 117.98 113.22 1hjd s PHE 105 Ca 0.33 1.48 -0.27 0.00 -0.05 0.00 0.00 56.93 58.43 1hjd s PHE 105 Cb 0.09 -2.94 -0.01 0.00 -0.63 0.00 0.00 43.02 39.53 1hjd s PHE 105 CO -0.15 0.09 1.72 -0.47 -0.05 0.00 0.00 175.22 176.36 1hjd s TYR 106 N 0.70 1.81 0.13 3.49 5.04 -1.26 -4.94 117.35 122.31 1hjd s TYR 106 Ca 0.44 0.59 -0.31 0.00 -2.44 0.00 0.00 57.07 55.34 1hjd s TYR 106 Cb -0.20 -4.22 -0.11 0.00 0.35 0.00 0.00 41.96 37.79 1hjd s TYR 106 CO 0.23 -2.26 1.84 0.00 -1.34 0.00 0.00 175.55 174.03