#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjd n ASP 9 N 0.00 -7.31 -3.86 0.00 9.92 -1.26 -4.80 116.55 109.23 1hjd n ASP 9 Ca 0.00 -0.14 -0.09 0.00 -0.53 0.00 0.00 54.79 54.03 1hjd n ASP 9 Cb 0.00 -5.03 -0.04 0.00 -0.64 0.00 0.00 41.12 35.41 1hjd n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hjd s ARG 10 N -3.16 1.53 -0.23 -1.24 3.03 -1.26 0.51 118.95 118.12 1hjd s ARG 10 Ca 0.05 -1.04 -0.20 0.00 2.03 0.00 0.00 55.73 56.58 1hjd s ARG 10 Cb -0.01 0.52 0.06 0.00 -1.03 0.00 0.00 34.95 34.50 1hjd s ARG 10 CO 0.70 -0.66 0.61 -1.59 -1.13 0.00 0.00 175.30 173.23 1hjd s LYS 11 N -3.94 0.70 0.00 3.89 -2.85 -0.45 -3.24 119.74 113.85 1hjd s LYS 11 Ca 0.14 0.89 -0.21 0.00 -1.00 0.00 0.00 55.97 55.79 1hjd s LYS 11 Cb -0.02 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 1hjd s LYS 11 CO 0.04 -0.10 0.62 -0.51 0.10 0.00 0.00 175.35 175.50 1hjd s LEU 12 N 0.52 4.42 0.46 2.77 1.02 -1.25 0.17 118.68 126.79 1hjd s LEU 12 Ca -0.02 1.20 0.07 0.00 0.02 0.00 0.00 54.13 55.40 1hjd s LEU 12 Cb -0.05 -2.97 -0.01 0.00 0.02 0.00 0.00 46.19 43.19 1hjd s LEU 12 CO -0.02 0.09 0.34 0.00 0.02 0.00 0.00 176.35 176.78 1hjd n ALA 14 N -1.55 4.34 0.00 0.00 0.00 -1.25 -1.83 120.51 120.22 1hjd n ALA 14 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1hjd n ALA 14 Cb 0.63 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.08 0.00 -0.05 0.00 9.92 -1.26 -2.50 116.55 122.74 1hjd n ASP 15 Ca 0.26 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.51 1hjd n ASP 15 Cb 0.82 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.29 1hjd n ASP 15 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1hjd h GLN 16 N 0.00 0.00 0.00 -1.24 1.08 -1.93 -3.31 115.11 109.71 1hjd h GLN 16 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1hjd h GLN 16 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1hjd h GLN 16 CO 0.00 0.04 0.00 1.05 -0.95 0.00 0.00 178.83 178.97 1hjd h GLU 17 N -1.00 0.00 -4.64 1.46 9.09 -1.99 -3.48 114.58 114.02 1hjd h GLU 17 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1hjd h GLU 17 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1hjd h GLU 17 CO -0.00 0.00 -0.23 0.00 0.05 0.00 0.00 179.01 178.82 1hjd n SER 19 N -0.76 0.03 -4.77 0.00 2.88 -1.26 -5.02 113.62 104.72 1hjd n SER 19 Ca 0.06 0.07 -0.40 0.00 -1.33 0.00 0.00 58.87 57.26 1hjd n SER 19 Cb 0.38 0.04 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 1hjd n SER 19 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1hjd s HIS 20 N -2.00 2.85 1.26 0.66 3.76 -1.26 -5.00 115.29 115.56 1hjd s HIS 20 Ca 0.00 1.37 -0.19 0.00 -0.15 0.00 0.00 55.06 56.10 1hjd s HIS 20 Cb 0.00 -3.73 0.28 0.00 1.11 0.00 0.00 32.58 30.24 1hjd s HIS 20 CO 0.00 -2.17 0.64 -2.30 -0.85 0.00 0.00 174.74 170.06 1hjd n PRO 21 N 0.39 -3.36 -0.10 8.40 -0.02 -1.26 -4.27 135.00 134.77 1hjd n PRO 21 Ca 0.02 -0.99 -0.19 0.00 -2.02 0.00 0.00 63.50 60.33 1hjd n PRO 21 Cb 0.42 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.00 1hjd n PRO 21 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1hjd n ILE 22 N -5.15 1.10 -3.02 4.25 0.13 0.04 -4.56 119.36 112.16 1hjd n ILE 22 Ca 0.08 -0.33 0.00 0.00 -1.10 0.00 0.00 62.75 61.40 1hjd n ILE 22 Cb 0.53 -1.56 0.00 0.00 -0.84 0.00 0.00 39.64 37.76 1hjd n ILE 22 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1hjd n SER 23 N -3.61 0.00 -4.29 9.51 3.41 -1.06 0.32 113.62 117.90 1hjd n SER 23 Ca -0.38 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.92 1hjd n SER 23 Cb 0.81 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.03 2.33 -0.09 4.33 1.75 0.24 -2.20 119.30 125.64 1hjd s MET 24 Ca 0.00 -0.91 -0.07 0.00 -1.25 0.00 0.00 55.69 53.46 1hjd s MET 24 Cb 0.00 -2.10 0.03 0.00 2.84 0.00 0.00 34.83 35.60 1hjd s MET 24 CO 0.00 0.46 0.22 0.00 -0.65 0.00 0.00 175.02 175.05 1hjd s ALA 25 N -0.37 -0.52 0.19 4.11 0.00 -0.17 -1.56 121.76 123.45 1hjd s ALA 25 Ca 0.03 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.75 1hjd s ALA 25 Cb -0.12 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1hjd s ALA 25 CO 0.01 -0.13 0.30 0.08 0.00 0.00 0.00 175.76 176.02 1hjd s VAL 26 N 0.50 5.18 0.00 0.00 1.01 -0.49 0.17 120.40 126.77 1hjd s VAL 26 Ca -0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1hjd s VAL 26 Cb -0.05 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1hjd s VAL 26 CO -0.03 -0.21 1.37 0.00 0.00 0.00 0.00 175.10 176.23 1hjd s ALA 27 N -1.86 3.56 -1.65 5.51 0.00 0.29 0.18 121.76 127.78 1hjd s ALA 27 Ca 0.34 0.86 0.28 0.00 0.00 0.00 0.00 51.96 53.44 1hjd s ALA 27 Cb -0.10 -3.58 1.13 0.00 0.00 0.00 0.00 23.12 20.58 1hjd s ALA 27 CO 0.28 -0.86 1.80 1.28 0.00 0.00 0.00 175.76 178.26 1hjd n LEU 28 N 5.22 0.56 0.00 0.00 4.77 0.34 -3.74 117.00 124.16 1hjd n LEU 28 Ca 0.13 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1hjd n LEU 28 Cb 0.44 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1hjd n LEU 28 CO 0.58 0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.74 1hjd n GLN 29 N -0.91 -1.83 -2.48 3.23 10.64 -1.23 -4.95 117.38 119.85 1hjd n GLN 29 Ca 0.14 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.92 1hjd n GLN 29 Cb 0.29 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.63 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 7.02 -0.40 2.61 2.15 -1.26 -3.87 116.67 122.92 1hjd s ASP 30 Ca 0.00 2.19 0.07 0.00 0.43 0.00 0.00 52.55 55.24 1hjd s ASP 30 Cb 0.00 -2.61 0.18 0.00 -0.30 0.00 0.00 42.92 40.19 1hjd s ASP 30 CO 0.00 -0.32 0.66 -0.47 -0.17 0.00 0.00 175.17 174.87 1hjd s TYR 31 N -1.36 -1.65 -1.14 -5.34 5.04 0.19 -4.93 117.35 108.16 1hjd s TYR 31 Ca 0.50 0.24 -0.25 0.00 -2.44 0.00 0.00 57.07 55.13 1hjd s TYR 31 Cb -0.28 0.30 -0.16 0.00 0.35 0.00 0.00 41.96 42.17 1hjd s TYR 31 CO 0.36 -1.12 2.02 0.00 -1.34 0.00 0.00 175.55 175.47 1hjd s MET 32 N 1.85 1.84 -0.94 4.97 0.23 -1.26 -1.29 119.30 124.71 1hjd s MET 32 Ca 0.16 -0.84 -0.27 0.00 -1.03 0.00 0.00 55.69 53.71 1hjd s MET 32 Cb -0.03 -5.12 -0.22 0.00 -1.53 0.00 0.00 34.83 27.93 1hjd s MET 32 CO -0.08 -4.75 2.49 0.00 -2.03 0.00 0.00 175.02 170.65 1hjd n ALA 33 N 17.00 0.34 -1.28 3.16 0.00 -1.26 -4.76 120.51 133.70 1hjd n ALA 33 Ca 0.43 -0.30 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 1hjd n ALA 33 Cb 0.47 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.68 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 7.73 2.74 -3.64 0.00 -0.04 -1.26 -3.79 135.00 136.74 1hjd n PRO 34 Ca 0.62 -1.81 -0.29 0.00 -0.04 0.00 0.00 63.50 61.98 1hjd n PRO 34 Cb 0.04 -2.27 -0.13 0.00 -0.04 0.00 0.00 33.50 31.10 1hjd n PRO 34 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hjd s ASP 35 N 1.52 3.46 -1.78 3.54 1.01 -1.26 -4.83 116.67 118.32 1hjd s ASP 35 Ca 0.65 -2.44 0.00 0.00 0.71 0.00 0.00 52.55 51.47 1hjd s ASP 35 Cb 0.29 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 43.39 1hjd s ASP 35 CO -0.07 -0.29 0.00 0.00 0.21 0.00 0.00 175.17 175.02 1hjd n ARG 37 N -2.98 -7.81 0.00 0.00 0.63 -1.26 -4.99 116.66 100.25 1hjd n ARG 37 Ca -0.25 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 1hjd n ARG 37 Cb 0.69 -5.88 0.00 0.00 0.45 0.00 0.00 32.46 27.72 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 -4.91 -2.20 -2.59 -0.14 3.72 -0.76 -4.89 117.46 105.69 1hjd n PHE 38 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 1hjd n PHE 38 Cb 0.57 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.09 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 3.48 1.03 4.37 2.96 -1.26 -4.81 118.68 124.45 1hjd s LEU 39 Ca 0.00 0.16 -0.13 0.00 -0.22 0.00 0.00 54.13 53.94 1hjd s LEU 39 Cb 0.00 -3.22 0.21 0.00 0.50 0.00 0.00 46.19 43.67 1hjd s LEU 39 CO 0.00 -1.45 1.09 0.28 -1.32 0.00 0.00 176.35 174.95 1hjd s THR 40 N 4.88 2.00 -0.00 3.68 -1.32 -1.26 -4.67 115.64 118.95 1hjd s THR 40 Ca 0.44 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.99 1hjd s THR 40 Cb -0.07 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 1hjd s THR 40 CO 0.26 -0.00 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.83 1hjd s ILE 41 N -2.91 2.53 0.01 5.08 -1.09 -0.41 -4.89 121.20 119.52 1hjd s ILE 41 Ca 0.66 -1.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1hjd s ILE 41 Cb -0.19 -1.98 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 1hjd s ILE 41 CO 0.58 0.48 -0.07 -2.28 -1.23 0.00 0.00 174.94 172.42 1hjd s HIS 42 N -0.76 0.64 0.88 3.97 2.46 -1.25 0.56 115.29 121.79 1hjd s HIS 42 Ca 0.12 -0.25 -0.16 0.00 0.47 0.00 0.00 55.06 55.24 1hjd s HIS 42 Cb -0.10 -0.40 -0.08 0.00 -0.13 0.00 0.00 32.58 31.87 1hjd s HIS 42 CO 0.02 -0.03 -0.19 0.54 -2.47 0.00 0.00 174.74 172.61 1hjd n ARG 43 N 2.37 -0.03 -4.20 2.88 5.12 -1.25 -2.41 116.66 119.14 1hjd n ARG 43 Ca -0.17 0.01 -0.36 0.00 -1.93 0.00 0.00 57.85 55.40 1hjd n ARG 43 Cb 0.57 -1.36 -0.04 0.00 -1.16 0.00 0.00 32.46 30.46 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 2.55 -0.44 3.08 -0.13 0.00 -1.25 -4.92 105.19 104.09 1hjd n GLY 44 Ca 0.03 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.89 2.24 0.68 1.61 0.74 -1.01 -4.95 119.66 112.08 1hjd s GLN 45 Ca 0.72 -1.35 -0.14 0.00 0.05 0.00 0.00 55.36 54.64 1hjd s GLN 45 Cb -0.41 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 30.78 1hjd s GLN 45 CO 0.89 -0.58 1.11 0.08 -0.55 0.00 0.00 175.29 176.23 1hjd s VAL 46 N 1.11 3.22 0.20 1.34 1.01 -1.26 0.10 120.40 126.12 1hjd s VAL 46 Ca -0.08 0.54 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 1hjd s VAL 46 Cb -0.20 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1hjd s VAL 46 CO -0.05 -0.37 0.29 -0.69 0.00 0.00 0.00 175.10 174.28 1hjd s VAL 47 N -2.40 0.03 -0.32 2.92 1.01 0.45 -2.16 120.40 119.92 1hjd s VAL 47 Ca 0.66 -1.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1hjd s VAL 47 Cb -0.20 -2.18 0.11 0.00 0.00 0.00 0.00 36.38 34.11 1hjd s VAL 47 CO 0.44 -0.12 0.15 -0.31 0.00 0.00 0.00 175.10 175.25 1hjd s TYR 48 N -4.05 0.98 0.20 5.22 1.51 0.15 -1.00 117.35 120.37 1hjd s TYR 48 Ca 0.26 -1.43 -0.30 0.00 -1.01 0.00 0.00 57.07 54.58 1hjd s TYR 48 Cb 0.03 -1.25 -0.09 0.00 -0.11 0.00 0.00 41.96 40.55 1hjd s TYR 48 CO 0.07 -0.84 1.30 0.08 -1.11 0.00 0.00 175.55 175.05 1hjd s VAL 49 N 1.59 3.24 -0.07 0.71 1.01 -0.93 -1.63 120.40 124.33 1hjd s VAL 49 Ca 0.12 1.02 0.12 0.00 0.00 0.00 0.00 61.98 63.24 1hjd s VAL 49 Cb -0.19 -3.65 -0.18 0.00 0.00 0.00 0.00 36.38 32.36 1hjd s VAL 49 CO -0.23 0.15 0.17 0.49 0.00 0.00 0.00 175.10 175.68 1hjd n PHE 50 N 2.63 0.00 -3.86 5.22 3.72 -0.27 -0.78 117.46 124.12 1hjd n PHE 50 Ca 0.06 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.37 1hjd n PHE 50 Cb 0.43 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 38.47 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1hjd s SER 51 N -4.01 -0.16 -0.42 4.37 1.04 -0.21 -4.12 113.70 110.19 1hjd s SER 51 Ca -0.05 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.72 1hjd s SER 51 Cb 0.06 0.57 0.16 0.00 0.10 0.00 0.00 66.02 66.91 1hjd s SER 51 CO 0.53 -1.07 0.31 -0.75 0.98 0.00 0.00 173.24 173.24 1hjd s LYS 52 N -3.93 0.94 0.22 4.02 2.36 -1.10 -0.59 119.74 121.66 1hjd s LYS 52 Ca 0.14 -1.99 -0.31 0.00 -2.55 0.00 0.00 55.97 51.27 1hjd s LYS 52 Cb -0.00 -1.57 -0.10 0.00 -1.05 0.00 0.00 37.83 35.10 1hjd s LYS 52 CO 0.02 -1.32 1.54 -1.17 1.55 0.00 0.00 175.35 175.96 1hjd s LEU 53 N 0.23 4.37 0.00 5.43 0.20 -1.25 -3.76 118.68 123.90 1hjd s LEU 53 Ca 0.28 2.71 0.00 0.00 0.69 0.00 0.00 54.13 57.81 1hjd s LEU 53 Cb -0.05 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.10 1hjd s LEU 53 CO -0.13 -0.81 0.00 2.29 -0.29 0.00 0.00 176.35 177.41 1hjd n LYS 54 N 3.05 0.09 0.00 1.98 2.85 -1.20 -3.29 118.16 121.64 1hjd n LYS 54 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1hjd n LYS 54 Cb 0.39 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 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 0.18 1.14 0.00 2.58 0.00 -1.26 -3.55 105.19 104.27 1hjd n GLY 55 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1hjd n GLY 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hjd n ARG 56 N 0.00 1.31 -2.70 1.61 0.00 -1.26 -4.77 116.66 110.85 1hjd n ARG 56 Ca 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.85 57.74 1hjd n ARG 56 Cb 0.00 -1.30 0.09 0.00 0.00 0.00 0.00 32.46 31.24 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1hjd n GLY 57 N 1.44 0.24 0.38 5.14 0.00 -1.23 -4.98 105.19 106.17 1hjd n GLY 57 Ca 0.01 0.12 0.20 0.00 0.00 0.00 0.00 46.02 46.35 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 2.22 0.00 0.00 1.61 2.43 -1.78 0.32 114.38 119.18 1hjd h ARG 58 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1hjd h ARG 58 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1hjd h ARG 58 CO -0.01 0.00 0.00 1.47 -1.51 0.00 0.00 179.97 179.92 1hjd n LEU 59 N -4.11 0.00 -3.87 3.80 -0.00 -1.26 -4.32 117.00 107.25 1hjd n LEU 59 Ca 0.08 0.12 -0.30 0.00 -0.00 0.00 0.00 56.01 55.91 1hjd n LEU 59 Cb 0.57 -0.12 -0.14 0.00 -0.00 0.00 0.00 43.42 43.73 1hjd n LEU 59 CO 0.33 -0.03 -0.21 0.12 -0.00 0.00 0.00 177.39 177.59 1hjd s PHE 60 N -2.24 2.76 0.41 1.47 5.36 0.11 -2.00 117.98 123.85 1hjd s PHE 60 Ca 0.29 -2.88 -0.11 0.00 -0.96 0.00 0.00 56.93 53.27 1hjd s PHE 60 Cb 0.15 -2.48 -0.06 0.00 -0.34 0.00 0.00 43.02 40.29 1hjd s PHE 60 CO 0.29 -0.77 0.78 -1.58 -1.46 0.00 0.00 175.22 172.49 1hjd s TRP 61 N 0.02 3.47 -0.25 10.12 0.52 0.86 -3.91 118.94 129.77 1hjd s TRP 61 Ca 0.17 1.07 -0.11 0.00 0.02 0.00 0.00 56.10 57.25 1hjd s TRP 61 Cb -0.25 -2.46 -0.05 0.00 -1.15 0.00 0.00 33.47 29.56 1hjd s TRP 61 CO -0.01 -0.13 0.16 0.20 0.02 0.00 0.00 176.95 177.20 1hjd s GLY 62 N -3.17 1.98 0.00 0.98 0.00 0.24 0.74 107.32 108.08 1hjd s GLY 62 Ca 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1hjd s GLY 62 CO 0.32 0.43 0.00 0.61 0.00 0.00 0.00 173.10 174.46 1hjd n GLY 63 N 4.40 2.81 3.53 0.20 0.00 -0.19 -1.04 105.19 114.89 1hjd n GLY 63 Ca -0.15 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.33 -0.83 0.40 1.61 0.01 -0.64 -0.07 113.70 113.85 1hjd s SER 64 Ca 0.00 1.34 -0.24 0.00 1.31 0.00 0.00 55.95 58.36 1hjd s SER 64 Cb 0.00 1.43 -0.09 0.00 0.21 0.00 0.00 66.02 67.57 1hjd s SER 64 CO 0.00 -0.23 1.08 0.68 0.41 0.00 0.00 173.24 175.18 1hjd s VAL 65 N 1.92 3.57 0.14 3.43 -7.23 -1.26 0.33 120.40 121.30 1hjd s VAL 65 Ca -0.08 1.23 0.03 0.00 -1.81 0.00 0.00 61.98 61.34 1hjd s VAL 65 Cb -0.08 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1hjd s VAL 65 CO -0.18 0.03 0.21 0.00 -0.31 0.00 0.00 175.10 174.85 1hjd s GLN 66 N -2.46 3.21 0.00 4.82 -2.07 -0.92 -4.85 119.66 117.40 1hjd s GLN 66 Ca 0.58 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 53.44 1hjd s GLN 66 Cb -0.24 -2.85 0.00 0.00 -1.09 0.00 0.00 33.01 28.83 1hjd s GLN 66 CO 0.30 0.52 0.00 0.41 -1.32 0.00 0.00 175.29 175.20 1hjd n GLY 67 N -0.30 -1.38 2.30 2.60 0.00 -1.26 -4.58 105.19 102.56 1hjd n GLY 67 Ca -0.07 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 1hjd n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hjd n ASP 68 N 0.00 6.91 -2.19 1.61 5.68 -1.26 -4.63 116.55 122.66 1hjd n ASP 68 Ca 0.00 -3.78 -0.25 0.00 -0.50 0.00 0.00 54.79 50.26 1hjd n ASP 68 Cb 0.00 -0.81 0.15 0.00 -1.14 0.00 0.00 41.12 39.32 1hjd n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hjd n TYR 69 N -0.83 2.95 -3.48 2.11 4.19 -1.26 -4.92 117.16 115.93 1hjd n TYR 69 Ca 0.57 -2.01 -0.15 0.00 3.31 0.00 0.00 57.90 59.62 1hjd n TYR 69 Cb 0.71 -1.01 -0.04 0.00 0.49 0.00 0.00 39.34 39.48 1hjd n TYR 69 CO 0.00 0.00 0.00 -0.47 0.91 0.00 0.00 176.86 177.30 1hjd s TYR 70 N -3.23 -0.60 -0.94 2.98 5.04 -1.26 -5.08 117.35 114.26 1hjd s TYR 70 Ca 0.56 0.77 -0.25 0.00 -2.44 0.00 0.00 57.07 55.70 1hjd s TYR 70 Cb 0.46 0.47 -0.11 0.00 0.35 0.00 0.00 41.96 43.13 1hjd s TYR 70 CO 0.08 -0.71 2.12 0.20 -1.34 0.00 0.00 175.55 175.90 1hjd s GLY 71 N -1.87 -0.34 -0.31 8.97 0.00 -1.26 -4.39 107.32 108.12 1hjd s GLY 71 Ca -0.06 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.33 1hjd s GLY 71 CO -0.00 3.86 1.44 2.09 0.00 0.00 0.00 173.10 180.48 1hjd n ASP 72 N 16.39 -1.06 -4.58 1.64 5.75 -1.26 -5.11 116.55 128.32 1hjd n ASP 72 Ca 0.43 -1.59 -0.41 0.00 -0.01 0.00 0.00 54.79 53.21 1hjd n ASP 72 Cb 0.46 1.02 -0.03 0.00 -1.03 0.00 0.00 41.12 41.54 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1hjd s LEU 73 N -1.01 3.44 0.00 -2.12 0.20 -1.26 -4.75 118.68 113.18 1hjd s LEU 73 Ca 0.20 0.99 0.00 0.00 0.69 0.00 0.00 54.13 56.01 1hjd s LEU 73 Cb 0.30 -3.19 0.00 0.00 -0.43 0.00 0.00 46.19 42.87 1hjd s LEU 73 CO -0.22 -1.94 0.00 0.00 -0.29 0.00 0.00 176.35 173.91 1hjd n ALA 74 N 11.16 0.00 -2.80 5.97 0.00 -1.26 -5.16 120.51 128.42 1hjd n ALA 74 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.32 1hjd n ALA 74 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 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 3.47 -0.23 0.00 0.00 -1.26 -5.08 121.76 118.65 1hjd s ALA 75 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 1hjd s ALA 75 Cb 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1hjd s ALA 75 CO 0.00 0.19 -0.06 1.03 0.00 0.00 0.00 175.76 176.92 1hjd s ARG 76 N 0.33 3.15 0.75 0.00 0.52 -1.26 -5.10 118.95 117.35 1hjd s ARG 76 Ca 0.04 -0.77 -0.13 0.00 -0.52 0.00 0.00 55.73 54.35 1hjd s ARG 76 Cb -0.12 -2.97 0.05 0.00 0.52 0.00 0.00 34.95 32.43 1hjd s ARG 76 CO -0.00 -0.28 1.15 -0.48 0.02 0.00 0.00 175.30 175.71 1hjd s LEU 77 N 1.41 3.20 0.00 2.53 0.05 -1.26 -4.77 118.68 119.84 1hjd s LEU 77 Ca 0.04 2.15 0.00 0.00 0.05 0.00 0.00 54.13 56.36 1hjd s LEU 77 Cb -0.15 -4.56 0.00 0.00 -2.05 0.00 0.00 46.19 39.43 1hjd s LEU 77 CO -0.04 -2.23 0.00 0.61 -0.55 0.00 0.00 176.35 174.14 1hjd n GLY 78 N -0.14 3.98 2.99 -3.48 0.00 0.90 -4.93 105.19 104.51 1hjd n GLY 78 Ca 0.12 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.81 1.36 0.10 1.61 1.51 -1.26 -1.02 117.35 116.84 1hjd s TYR 79 Ca 0.00 -0.52 -0.24 0.00 -1.01 0.00 0.00 57.07 55.30 1hjd s TYR 79 Cb 0.00 -1.03 0.07 0.00 -0.11 0.00 0.00 41.96 40.88 1hjd s TYR 79 CO 0.00 -0.30 0.59 -0.59 -1.11 0.00 0.00 175.55 174.15 1hjd s PHE 80 N 0.84 -0.53 1.02 2.71 -0.12 0.23 -4.79 117.98 117.34 1hjd s PHE 80 Ca -0.12 0.48 -0.11 0.00 -0.05 0.00 0.00 56.93 57.13 1hjd s PHE 80 Cb -0.15 0.48 0.20 0.00 -0.63 0.00 0.00 43.02 42.92 1hjd s PHE 80 CO 0.02 -0.77 1.07 -0.35 -0.05 0.00 0.00 175.22 175.14 1hjd n PRO 81 N -0.01 -1.25 0.03 1.99 -0.04 -0.85 -0.10 135.00 134.77 1hjd n PRO 81 Ca -0.17 -0.31 -0.18 0.00 -0.04 0.00 0.00 63.50 62.80 1hjd n PRO 81 Cb 0.63 -2.28 -0.14 0.00 -0.04 0.00 0.00 33.50 31.67 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 -2.21 0.36 -0.58 3.54 0.87 -1.87 -3.34 113.55 110.33 1hjd h SER 82 Ca -0.50 -0.63 0.17 0.00 -1.23 0.00 0.00 61.79 59.60 1hjd h SER 82 Cb 1.30 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1hjd h SER 82 CO 0.44 1.54 0.55 -1.28 -0.53 0.00 0.00 176.83 177.55 1hjd h SER 83 N 0.06 0.00 1.25 6.23 0.87 -1.94 0.77 113.55 120.79 1hjd h SER 83 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1hjd h SER 83 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1hjd h SER 83 CO 0.13 0.00 0.00 -0.29 -0.53 0.00 0.00 176.83 176.14 1hjd h ILE 84 N 0.00 0.00 -2.28 2.23 6.09 -1.96 -3.45 117.51 118.14 1hjd h ILE 84 Ca 0.27 -0.47 -0.55 0.00 -1.37 0.00 0.00 64.86 62.75 1hjd h ILE 84 Cb 1.37 1.38 -0.13 0.00 0.47 0.00 0.00 36.82 39.91 1hjd h ILE 84 CO -0.00 0.00 -0.57 0.68 -3.07 0.00 0.00 178.15 175.19 1hjd s VAL 85 N -3.25 1.12 -0.23 2.19 -7.23 0.27 0.13 120.40 113.39 1hjd s VAL 85 Ca 0.07 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1hjd s VAL 85 Cb 0.10 -2.60 0.07 0.00 0.56 0.00 0.00 36.38 34.51 1hjd s VAL 85 CO 0.53 0.00 0.06 -0.60 -0.31 0.00 0.00 175.10 174.78 1hjd s ARG 86 N -3.82 0.63 -0.16 4.82 3.52 0.47 -4.67 118.95 119.75 1hjd s ARG 86 Ca 0.28 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.99 1hjd s ARG 86 Cb 0.06 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.42 1hjd s ARG 86 CO 0.14 -0.77 1.79 -1.21 -0.81 0.00 0.00 175.30 174.44 1hjd s GLU 87 N 1.82 3.78 -0.25 5.12 2.02 -1.26 -1.40 118.70 128.53 1hjd s GLU 87 Ca 0.03 1.95 -0.14 0.00 0.02 0.00 0.00 54.97 56.83 1hjd s GLU 87 Cb -0.17 -4.11 -0.11 0.00 0.10 0.00 0.00 34.13 29.84 1hjd s GLU 87 CO -0.15 -1.33 -0.34 -3.47 0.02 0.00 0.00 175.26 169.99 1hjd n ASP 88 N 8.71 1.84 -4.82 -0.19 -0.08 -0.60 -4.94 116.55 116.46 1hjd n ASP 88 Ca 0.21 0.32 -0.31 0.00 -1.51 0.00 0.00 54.79 53.50 1hjd n ASP 88 Cb 0.44 -0.76 -0.06 0.00 2.34 0.00 0.00 41.12 43.08 1hjd n ASP 88 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1hjd s GLN 89 N -2.52 3.08 0.03 -0.67 2.00 -1.19 -4.99 119.66 115.40 1hjd s GLN 89 Ca -0.35 -0.58 0.01 0.00 -2.00 0.00 0.00 55.36 52.44 1hjd s GLN 89 Cb 0.13 -2.84 -0.02 0.00 0.80 0.00 0.00 33.01 31.07 1hjd s GLN 89 CO 0.45 0.59 -0.05 0.95 -0.50 0.00 0.00 175.29 176.73 1hjd s THR 90 N -1.39 0.32 0.00 -0.34 -4.23 -1.26 0.81 115.64 109.54 1hjd s THR 90 Ca 0.30 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.90 1hjd s THR 90 Cb -0.12 -0.42 0.06 0.00 1.34 0.00 0.00 72.50 73.36 1hjd s THR 90 CO 0.23 -0.41 0.88 -0.11 -0.54 0.00 0.00 174.62 174.66 1hjd n LEU 91 N 1.61 -0.33 -4.59 4.79 0.00 -1.14 -4.92 117.00 112.42 1hjd n LEU 91 Ca -0.23 -1.61 -0.42 0.00 0.00 0.00 0.00 56.01 53.75 1hjd n LEU 91 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.94 1hjd n LEU 91 CO 0.21 1.10 1.65 -0.75 0.00 0.00 0.00 177.39 179.59 1hjd s LYS 92 N 0.00 3.17 0.04 1.96 2.20 0.15 -4.76 119.74 122.50 1hjd s LYS 92 Ca 0.05 1.54 0.23 0.00 -0.36 0.00 0.00 55.97 57.43 1hjd s LYS 92 Cb 0.05 -4.28 0.17 0.00 -1.51 0.00 0.00 37.83 32.27 1hjd s LYS 92 CO -0.02 -2.05 1.15 -0.35 -0.36 0.00 0.00 175.35 173.71 1hjd n PRO 93 N 8.60 0.18 -4.05 4.03 -0.04 -1.26 -4.98 135.00 137.48 1hjd n PRO 93 Ca 0.25 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1hjd n PRO 93 Cb 0.47 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1hjd n PRO 93 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1hjd s GLY 94 N -3.41 0.78 -0.38 0.55 0.00 -1.04 -4.84 107.32 98.98 1hjd s GLY 94 Ca 0.06 -1.09 0.11 0.00 0.00 0.00 0.00 44.72 43.81 1hjd s GLY 94 CO 0.77 -0.82 1.13 0.28 0.00 0.00 0.00 173.10 174.47 1hjd n LYS 95 N -0.36 1.13 -3.07 2.90 5.02 -0.97 -3.82 118.16 118.98 1hjd n LYS 95 Ca -0.01 -2.41 -0.39 0.00 -2.02 0.00 0.00 58.31 53.48 1hjd n LYS 95 Cb 0.63 -0.74 -0.05 0.00 -0.02 0.00 0.00 35.03 34.85 1hjd n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hjd s VAL 96 N -1.01 4.76 0.18 -0.18 1.01 -0.76 -4.71 120.40 119.68 1hjd s VAL 96 Ca 0.25 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1hjd s VAL 96 Cb 0.39 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1hjd s VAL 96 CO -0.05 0.41 0.97 -0.62 0.00 0.00 0.00 175.10 175.81 1hjd s ASP 97 N -0.27 7.54 -0.34 3.32 2.15 -1.26 0.78 116.67 128.60 1hjd s ASP 97 Ca 0.35 1.90 0.02 0.00 0.43 0.00 0.00 52.55 55.25 1hjd s ASP 97 Cb -0.20 -2.60 0.10 0.00 -0.30 0.00 0.00 42.92 39.92 1hjd s ASP 97 CO 0.21 0.02 0.09 -0.69 -0.17 0.00 0.00 175.17 174.62 1hjd s VAL 98 N -0.55 1.64 0.17 1.11 1.01 0.44 -4.90 120.40 119.32 1hjd s VAL 98 Ca 0.45 -1.99 -0.32 0.00 0.00 0.00 0.00 61.98 60.12 1hjd s VAL 98 Cb -0.25 -2.22 -0.11 0.00 0.00 0.00 0.00 36.38 33.80 1hjd s VAL 98 CO 0.31 -0.66 1.75 -1.59 0.00 0.00 0.00 175.10 174.92 1hjd s LYS 99 N 1.14 4.14 -0.42 2.72 -2.85 -1.26 -1.33 119.74 121.87 1hjd s LYS 99 Ca 0.11 2.57 -0.15 0.00 -1.00 0.00 0.00 55.97 57.50 1hjd s LYS 99 Cb -0.19 -3.31 0.03 0.00 -2.06 0.00 0.00 37.83 32.30 1hjd s LYS 99 CO -0.15 -0.78 0.32 0.99 0.10 0.00 0.00 175.35 175.83 1hjd s THR 100 N 1.86 5.25 -0.13 3.79 2.01 0.18 -4.80 115.64 123.80 1hjd s THR 100 Ca 0.77 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 62.14 1hjd s THR 100 Cb -0.47 -3.96 0.15 0.00 0.01 0.00 0.00 72.50 68.23 1hjd s THR 100 CO 0.34 -0.35 0.89 -0.67 -0.69 0.00 0.00 174.62 174.14 1hjd n ASP 101 N 5.19 -0.64 0.00 3.53 2.03 -1.26 -4.70 116.55 120.71 1hjd n ASP 101 Ca -0.11 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.76 1hjd n ASP 101 Cb 0.47 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 1hjd n ASP 101 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1hjd n LYS 102 N -0.58 0.00 0.21 -0.67 5.02 -1.26 -4.87 118.16 116.00 1hjd n LYS 102 Ca -0.09 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.38 1hjd n LYS 102 Cb 0.63 0.00 0.80 0.00 -0.02 0.00 0.00 35.03 36.44 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 -5.09 2.13 4.06 -1.96 -3.46 115.95 111.63 1hjd h TRP 103 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1hjd h TRP 103 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1hjd h TRP 103 CO 0.00 0.00 -0.42 -0.25 -3.56 0.00 0.00 178.44 174.21 1hjd n ASP 104 N -3.40 -7.44 -4.46 -3.49 9.92 -1.26 -4.91 116.55 101.50 1hjd n ASP 104 Ca 0.03 0.45 -0.43 0.00 -0.53 0.00 0.00 54.79 54.31 1hjd n ASP 104 Cb 0.47 -5.02 -0.03 0.00 -0.64 0.00 0.00 41.12 35.89 1hjd n ASP 104 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1hjd s PHE 105 N -2.51 2.75 -0.22 1.24 5.36 -1.26 -4.95 117.98 118.38 1hjd s PHE 105 Ca 0.21 -0.73 -0.27 0.00 -0.96 0.00 0.00 56.93 55.18 1hjd s PHE 105 Cb -0.06 -4.32 0.13 0.00 -0.34 0.00 0.00 43.02 38.43 1hjd s PHE 105 CO 0.70 -1.65 1.03 -0.47 -1.46 0.00 0.00 175.22 173.38 1hjd s TYR 106 N 3.88 -0.41 -0.16 10.12 5.04 -1.26 -5.12 117.35 129.45 1hjd s TYR 106 Ca 0.26 0.86 -0.29 0.00 -2.44 0.00 0.00 57.07 55.46 1hjd s TYR 106 Cb -0.13 0.41 -0.06 0.00 0.35 0.00 0.00 41.96 42.53 1hjd s TYR 106 CO 0.05 -0.27 2.11 0.00 -1.34 0.00 0.00 175.55 176.10