#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 0.00 -3.58 0.00 2.03 -1.26 -5.02 116.55 108.72 1hjd n ASP 9 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1hjd n ASP 9 Cb 0.00 0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.42 1hjd n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hjd s ARG 10 N -1.36 1.06 0.14 -0.67 3.03 -1.26 -0.08 118.95 119.80 1hjd s ARG 10 Ca 0.00 -0.37 -0.12 0.00 2.03 0.00 0.00 55.73 57.27 1hjd s ARG 10 Cb 0.00 0.48 0.01 0.00 -1.03 0.00 0.00 34.95 34.41 1hjd s ARG 10 CO 0.00 -0.40 0.33 -1.59 -1.13 0.00 0.00 175.30 172.51 1hjd s LYS 11 N -2.87 1.09 0.13 3.89 0.00 0.11 -3.30 119.74 118.80 1hjd s LYS 11 Ca -0.03 -0.95 -0.19 0.00 0.00 0.00 0.00 55.97 54.80 1hjd s LYS 11 Cb -0.00 0.42 -0.07 0.00 0.00 0.00 0.00 37.83 38.17 1hjd s LYS 11 CO -0.05 -0.41 0.62 -0.51 0.00 0.00 0.00 175.35 175.01 1hjd s LEU 12 N -2.88 4.45 -0.02 2.77 1.02 -1.23 0.20 118.68 122.99 1hjd s LEU 12 Ca 0.09 1.30 0.05 0.00 0.02 0.00 0.00 54.13 55.60 1hjd s LEU 12 Cb 0.03 -3.18 -0.01 0.00 0.02 0.00 0.00 46.19 43.04 1hjd s LEU 12 CO -0.06 0.18 -0.18 0.00 0.02 0.00 0.00 176.35 176.30 1hjd n ALA 14 N 2.70 2.25 -1.12 0.00 0.00 -1.25 -1.40 120.51 121.69 1hjd n ALA 14 Ca -0.15 -3.04 0.14 0.00 0.00 0.00 0.00 53.44 50.38 1hjd n ALA 14 Cb 0.54 -3.64 -0.04 0.00 0.00 0.00 0.00 19.45 16.31 1hjd n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hjd n ASP 15 N 9.45 -6.24 0.00 0.00 -0.08 -1.26 -4.16 116.55 114.25 1hjd n ASP 15 Ca 0.48 0.60 0.00 0.00 -1.51 0.00 0.00 54.79 54.35 1hjd n ASP 15 Cb 0.42 -3.58 0.00 0.00 2.34 0.00 0.00 41.12 40.30 1hjd n ASP 15 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1hjd n GLN 16 N -3.45 0.00 -2.68 -0.67 7.27 -1.26 -2.63 117.38 113.96 1hjd n GLN 16 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.01 1hjd n GLN 16 Cb 0.63 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.33 1hjd n GLN 16 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1hjd n GLU 17 N 0.00 0.57 -3.02 3.69 2.13 -1.26 -4.97 120.64 117.77 1hjd n GLU 17 Ca 0.00 -1.15 -0.17 0.00 0.66 0.00 0.00 57.16 56.50 1hjd n GLU 17 Cb 0.00 -0.10 0.04 0.00 0.27 0.00 0.00 31.44 31.65 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hjd h SER 19 N -1.44 0.22 -2.53 0.00 4.64 -1.78 -3.46 113.55 109.20 1hjd h SER 19 Ca -0.41 -0.22 -0.58 0.00 -0.47 0.00 0.00 61.79 60.11 1hjd h SER 19 Cb 1.27 -0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 63.18 1hjd h SER 19 CO 0.42 1.11 -0.67 -1.00 -0.87 0.00 0.00 176.83 175.83 1hjd s HIS 20 N -2.88 2.71 0.17 4.77 3.76 -1.26 -5.11 115.29 117.45 1hjd s HIS 20 Ca -0.02 -0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 54.66 1hjd s HIS 20 Cb 0.09 -1.25 0.04 0.00 1.11 0.00 0.00 32.58 32.57 1hjd s HIS 20 CO 0.84 0.57 0.12 -0.35 -0.85 0.00 0.00 174.74 175.08 1hjd n PRO 21 N -0.51 -1.80 -0.05 8.40 -0.04 -1.26 -4.31 135.00 135.43 1hjd n PRO 21 Ca -0.08 -0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.09 1hjd n PRO 21 Cb 0.57 -0.22 -0.04 0.00 -0.04 0.00 0.00 33.50 33.78 1hjd n PRO 21 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1hjd n ILE 22 N -3.06 0.53 -3.58 0.52 0.13 0.11 -4.34 119.36 109.67 1hjd n ILE 22 Ca 0.02 -0.16 0.00 0.00 -1.10 0.00 0.00 62.75 61.51 1hjd n ILE 22 Cb 0.07 -1.33 0.00 0.00 -0.84 0.00 0.00 39.64 37.54 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 -3.19 0.00 -4.05 9.51 3.41 -1.16 -0.71 113.62 117.44 1hjd n SER 23 Ca -0.18 -0.77 -0.25 0.00 -0.26 0.00 0.00 58.87 57.40 1hjd n SER 23 Cb 0.65 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.32 1.83 0.07 4.33 1.75 0.31 -2.88 119.30 123.39 1hjd s MET 24 Ca 0.00 -0.47 0.02 0.00 -1.25 0.00 0.00 55.69 53.99 1hjd s MET 24 Cb 0.00 -1.50 -0.03 0.00 2.84 0.00 0.00 34.83 36.14 1hjd s MET 24 CO 0.00 0.05 -0.07 0.00 -0.65 0.00 0.00 175.02 174.36 1hjd s ALA 25 N 0.59 0.76 0.13 4.11 0.00 0.10 -1.26 121.76 126.20 1hjd s ALA 25 Ca -0.14 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.80 1hjd s ALA 25 Cb -0.16 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1hjd s ALA 25 CO 0.04 -0.15 0.01 0.08 0.00 0.00 0.00 175.76 175.75 1hjd s VAL 26 N -2.64 3.94 0.09 0.00 1.01 0.13 0.25 120.40 123.17 1hjd s VAL 26 Ca 0.02 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 60.51 1hjd s VAL 26 Cb -0.01 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 1hjd s VAL 26 CO -0.03 0.00 1.39 0.00 0.00 0.00 0.00 175.10 176.47 1hjd s ALA 27 N -1.52 3.58 -2.46 5.51 0.00 0.45 0.21 121.76 127.53 1hjd s ALA 27 Ca 0.27 1.06 0.27 0.00 0.00 0.00 0.00 51.96 53.56 1hjd s ALA 27 Cb -0.11 -3.55 1.05 0.00 0.00 0.00 0.00 23.12 20.52 1hjd s ALA 27 CO 0.19 -0.68 1.74 -0.11 0.00 0.00 0.00 175.76 176.90 1hjd n LEU 28 N 4.30 1.46 0.00 0.00 7.94 0.30 -3.80 117.00 127.21 1hjd n LEU 28 Ca 0.12 -0.50 0.00 0.00 -1.11 0.00 0.00 56.01 54.52 1hjd n LEU 28 Cb 0.43 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1hjd n LEU 28 CO 0.59 0.25 0.00 0.00 -1.11 0.00 0.00 177.39 177.12 1hjd n GLN 29 N 0.15 -1.62 -2.33 1.96 1.13 -1.24 -4.95 117.38 110.47 1hjd n GLN 29 Ca 0.19 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.85 1hjd n GLN 29 Cb 0.34 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.66 1hjd n GLN 29 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1hjd s ASP 30 N 0.00 6.98 -0.47 1.08 2.15 -1.21 -3.84 116.67 121.35 1hjd s ASP 30 Ca 0.00 2.41 0.07 0.00 0.43 0.00 0.00 52.55 55.45 1hjd s ASP 30 Cb 0.00 -2.63 0.19 0.00 -0.30 0.00 0.00 42.92 40.18 1hjd s ASP 30 CO 0.00 -0.36 0.71 -0.47 -0.17 0.00 0.00 175.17 174.88 1hjd s TYR 31 N -1.21 -1.60 0.12 -5.34 5.04 0.12 -4.93 117.35 109.55 1hjd s TYR 31 Ca 0.48 -0.26 -0.31 0.00 -2.44 0.00 0.00 57.07 54.54 1hjd s TYR 31 Cb -0.34 0.31 -0.09 0.00 0.35 0.00 0.00 41.96 42.19 1hjd s TYR 31 CO 0.44 -1.20 1.57 0.00 -1.34 0.00 0.00 175.55 175.02 1hjd s MET 32 N 1.23 4.23 0.17 4.97 0.23 -1.26 -1.06 119.30 127.80 1hjd s MET 32 Ca 0.25 2.30 -0.30 0.00 -1.03 0.00 0.00 55.69 56.90 1hjd s MET 32 Cb -0.01 -3.33 -0.17 0.00 -1.53 0.00 0.00 34.83 29.78 1hjd s MET 32 CO -0.06 -0.63 0.65 0.00 -2.03 0.00 0.00 175.02 172.96 1hjd n ALA 33 N 4.57 -2.89 -0.17 3.16 0.00 -1.25 -4.88 120.51 119.05 1hjd n ALA 33 Ca 0.14 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.94 1hjd n ALA 33 Cb 0.40 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1hjd n ALA 33 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hjd h PRO 34 N 1.45 0.96 -2.89 0.00 0.13 -1.90 -3.48 132.00 126.27 1hjd h PRO 34 Ca -0.33 -0.37 0.05 0.00 -0.87 0.00 0.00 66.00 64.48 1hjd h PRO 34 Cb 1.43 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 1hjd h PRO 34 CO 0.59 1.03 0.32 0.34 -0.23 0.00 0.00 178.00 180.05 1hjd s ASP 35 N -6.58 -0.09 0.41 1.44 2.15 -1.26 -5.10 116.67 107.64 1hjd s ASP 35 Ca -0.12 -0.87 -0.19 0.00 0.43 0.00 0.00 52.55 51.80 1hjd s ASP 35 Cb 0.12 0.74 -0.14 0.00 -0.30 0.00 0.00 42.92 43.34 1hjd s ASP 35 CO 0.85 -1.44 0.01 0.00 -0.17 0.00 0.00 175.17 174.42 1hjd n ARG 37 N 1.30 0.00 -2.09 0.00 0.63 -1.26 -4.97 116.66 110.28 1hjd n ARG 37 Ca 0.09 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.75 1hjd n ARG 37 Cb 0.40 -0.16 0.06 0.00 0.45 0.00 0.00 32.46 33.21 1hjd n ARG 37 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1hjd s PHE 38 N -0.72 3.07 0.08 -0.14 0.08 -0.62 -4.57 117.98 115.17 1hjd s PHE 38 Ca 0.00 0.69 0.05 0.00 0.12 0.00 0.00 56.93 57.80 1hjd s PHE 38 Cb 0.00 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.25 1hjd s PHE 38 CO 0.00 -1.35 -0.14 -1.17 -0.10 0.00 0.00 175.22 172.45 1hjd s LEU 39 N -5.32 2.29 0.46 -0.37 0.20 -1.26 -4.84 118.68 109.84 1hjd s LEU 39 Ca 0.59 -0.64 -0.05 0.00 0.69 0.00 0.00 54.13 54.72 1hjd s LEU 39 Cb -0.11 -0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 45.10 1hjd s LEU 39 CO 0.47 -0.09 0.75 0.28 -0.29 0.00 0.00 176.35 177.48 1hjd s THR 40 N -1.39 4.93 -0.27 3.68 -1.32 -1.26 -3.83 115.64 116.18 1hjd s THR 40 Ca -0.01 0.15 -0.02 0.00 -1.21 0.00 0.00 61.69 60.60 1hjd s THR 40 Cb -0.09 -3.85 0.08 0.00 -1.51 0.00 0.00 72.50 67.13 1hjd s THR 40 CO 0.02 -0.79 0.07 -0.63 -2.21 0.00 0.00 174.62 171.08 1hjd s ILE 41 N -2.66 0.75 0.14 5.08 1.01 -0.22 -4.89 121.20 120.41 1hjd s ILE 41 Ca 0.47 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1hjd s ILE 41 Cb -0.10 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1hjd s ILE 41 CO 0.43 -0.49 0.34 -2.28 0.00 0.00 0.00 174.94 172.94 1hjd s HIS 42 N 1.71 3.49 1.00 3.97 2.46 -1.26 0.11 115.29 126.76 1hjd s HIS 42 Ca 0.05 0.44 -0.17 0.00 0.47 0.00 0.00 55.06 55.85 1hjd s HIS 42 Cb -0.17 -1.91 -0.08 0.00 -0.13 0.00 0.00 32.58 30.28 1hjd s HIS 42 CO -0.19 0.46 -0.48 0.54 -2.47 0.00 0.00 174.74 172.60 1hjd n ARG 43 N -0.03 -0.22 -3.49 2.88 5.12 -1.25 -2.46 116.66 117.22 1hjd n ARG 43 Ca -0.03 -0.05 -0.21 0.00 -1.93 0.00 0.00 57.85 55.62 1hjd n ARG 43 Cb 0.52 -1.31 -0.04 0.00 -1.16 0.00 0.00 32.46 30.47 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 2.78 -0.45 3.09 -0.13 0.00 -1.25 -4.90 105.19 104.33 1hjd n GLY 44 Ca 0.01 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -6.09 2.58 0.58 1.61 0.74 -1.03 -4.94 119.66 113.12 1hjd s GLN 45 Ca 0.41 -1.08 -0.18 0.00 0.05 0.00 0.00 55.36 54.56 1hjd s GLN 45 Cb -0.24 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 1hjd s GLN 45 CO 0.50 -0.39 1.12 0.08 -0.55 0.00 0.00 175.29 176.05 1hjd s VAL 46 N 1.21 3.20 0.02 1.34 1.01 -1.26 -0.41 120.40 125.50 1hjd s VAL 46 Ca -0.02 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1hjd s VAL 46 Cb -0.16 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1hjd s VAL 46 CO -0.09 -0.23 -0.03 -0.69 0.00 0.00 0.00 175.10 174.06 1hjd s VAL 47 N -1.98 0.13 -0.41 2.92 1.01 0.69 -0.25 120.40 122.51 1hjd s VAL 47 Ca 0.71 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1hjd s VAL 47 Cb -0.23 -0.24 0.11 0.00 0.00 0.00 0.00 36.38 36.03 1hjd s VAL 47 CO 0.32 -0.35 0.16 -0.47 0.00 0.00 0.00 175.10 174.76 1hjd s TYR 48 N -1.06 3.62 0.03 5.22 6.14 0.33 0.02 117.35 131.64 1hjd s TYR 48 Ca -0.11 -2.79 -0.30 0.00 0.64 0.00 0.00 57.07 54.50 1hjd s TYR 48 Cb -0.07 -3.05 -0.06 0.00 0.42 0.00 0.00 41.96 39.20 1hjd s TYR 48 CO -0.01 -0.93 1.42 0.08 0.64 0.00 0.00 175.55 176.75 1hjd s VAL 49 N 0.79 3.58 -0.13 3.14 1.01 -1.14 -2.11 120.40 125.53 1hjd s VAL 49 Ca 0.11 1.02 0.17 0.00 0.00 0.00 0.00 61.98 63.28 1hjd s VAL 49 Cb -0.21 -3.65 -0.24 0.00 0.00 0.00 0.00 36.38 32.28 1hjd s VAL 49 CO -0.05 0.01 0.38 0.49 0.00 0.00 0.00 175.10 175.93 1hjd n PHE 50 N 5.09 0.41 -3.80 5.22 3.01 -0.58 0.09 117.46 126.90 1hjd n PHE 50 Ca 0.13 0.15 -0.10 0.00 1.01 0.00 0.00 57.45 58.64 1hjd n PHE 50 Cb 0.43 -1.02 -0.07 0.00 -0.01 0.00 0.00 39.48 38.81 1hjd n PHE 50 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1hjd s SER 51 N -5.60 0.00 -0.46 4.37 0.15 -0.45 -4.15 113.70 107.56 1hjd s SER 51 Ca -0.07 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1hjd s SER 51 Cb 0.08 0.35 0.15 0.00 -1.71 0.00 0.00 66.02 64.89 1hjd s SER 51 CO 0.83 -0.69 0.29 -1.59 1.20 0.00 0.00 173.24 173.28 1hjd s LYS 52 N -3.35 1.31 -0.24 5.44 -2.85 -1.25 -0.70 119.74 118.10 1hjd s LYS 52 Ca 0.01 -2.15 -0.28 0.00 -1.00 0.00 0.00 55.97 52.54 1hjd s LYS 52 Cb 0.02 -2.21 -0.04 0.00 -2.06 0.00 0.00 37.83 33.54 1hjd s LYS 52 CO -0.08 -1.23 2.06 -1.17 0.10 0.00 0.00 175.35 175.03 1hjd s LEU 53 N 0.10 3.52 0.00 2.77 0.20 -1.18 -3.56 118.68 120.53 1hjd s LEU 53 Ca 0.22 1.74 0.00 0.00 0.69 0.00 0.00 54.13 56.78 1hjd s LEU 53 Cb -0.16 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 1hjd s LEU 53 CO -0.06 -1.82 0.00 2.29 -0.29 0.00 0.00 176.35 176.47 1hjd n LYS 54 N 8.57 3.01 0.00 1.98 2.85 -1.21 -2.50 118.16 130.87 1hjd n LYS 54 Ca 0.27 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 1hjd n LYS 54 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 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 4.06 1.60 0.10 2.58 0.00 -1.26 -3.66 105.19 108.61 1hjd n GLY 55 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 1.04 -2.21 1.61 3.00 -1.26 -4.85 116.66 113.99 1hjd n ARG 56 Ca 0.00 -1.16 -0.02 0.00 -0.00 0.00 0.00 57.85 56.67 1hjd n ARG 56 Cb 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 32.46 31.74 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 -0.34 0.44 0.44 5.14 0.00 -1.24 -4.10 105.19 105.53 1hjd n GLY 57 Ca 0.02 -0.08 0.25 0.00 0.00 0.00 0.00 46.02 46.21 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 0.71 0.00 0.00 1.61 2.43 -1.72 0.69 114.38 118.10 1hjd h ARG 58 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1hjd h ARG 58 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1hjd h ARG 58 CO -0.11 0.00 0.00 1.47 -1.51 0.00 0.00 179.97 179.82 1hjd n LEU 59 N -3.81 0.00 -3.91 3.80 -0.00 -1.26 -4.37 117.00 107.46 1hjd n LEU 59 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.85 1hjd n LEU 59 Cb 0.87 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 44.15 1hjd n LEU 59 CO 0.31 0.00 -0.19 -0.36 -0.00 0.00 0.00 177.39 177.14 1hjd s PHE 60 N -2.00 2.97 -0.07 1.47 0.40 0.24 -2.00 117.98 118.98 1hjd s PHE 60 Ca 0.32 -3.04 -0.11 0.00 -0.60 0.00 0.00 56.93 53.50 1hjd s PHE 60 Cb 0.15 -2.65 -0.05 0.00 0.51 0.00 0.00 43.02 40.98 1hjd s PHE 60 CO 0.25 -0.75 0.27 -1.58 0.70 0.00 0.00 175.22 174.11 1hjd s TRP 61 N -0.19 3.65 -0.07 0.36 0.52 -0.05 -3.10 118.94 120.07 1hjd s TRP 61 Ca 0.17 0.74 -0.07 0.00 0.02 0.00 0.00 56.10 56.96 1hjd s TRP 61 Cb -0.26 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1hjd s TRP 61 CO -0.00 0.67 0.21 0.20 0.02 0.00 0.00 176.95 178.05 1hjd s GLY 62 N -0.97 2.22 0.00 0.98 0.00 0.12 0.10 107.32 109.77 1hjd s GLY 62 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1hjd s GLY 62 CO 0.08 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.45 1hjd n GLY 63 N 1.66 -0.66 3.39 0.20 0.00 -0.56 -1.34 105.19 107.89 1hjd n GLY 63 Ca -0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1hjd n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hjd s SER 64 N -4.00 -0.45 0.54 1.61 0.15 -0.90 -0.57 113.70 110.08 1hjd s SER 64 Ca 0.00 0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.49 1hjd s SER 64 Cb 0.00 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 1hjd s SER 64 CO 0.00 -0.85 1.01 -0.69 1.20 0.00 0.00 173.24 173.92 1hjd s VAL 65 N -3.25 4.21 0.47 4.45 1.01 -1.26 0.12 120.40 126.15 1hjd s VAL 65 Ca -0.01 1.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.82 1hjd s VAL 65 Cb -0.00 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1hjd s VAL 65 CO -0.08 -0.58 1.06 0.00 0.00 0.00 0.00 175.10 175.50 1hjd n GLN 66 N -1.68 1.37 -3.76 2.72 10.64 0.65 -4.66 117.38 122.67 1hjd n GLN 66 Ca 0.08 0.50 -0.29 0.00 -1.83 0.00 0.00 57.00 55.46 1hjd n GLN 66 Cb 0.53 -2.16 -0.16 0.00 -0.86 0.00 0.00 30.24 27.60 1hjd n GLN 66 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1hjd s GLY 67 N -0.82 0.87 0.91 2.61 0.00 -1.26 -4.97 107.32 104.66 1hjd s GLY 67 Ca 0.66 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 1hjd s GLY 67 CO 0.55 1.43 1.24 -0.35 0.00 0.00 0.00 173.10 175.96 1hjd s ASP 68 N 1.74 3.32 -0.46 1.64 -1.08 -1.26 -4.98 116.67 115.58 1hjd s ASP 68 Ca 0.01 -0.04 0.04 0.00 -0.52 0.00 0.00 52.55 52.04 1hjd s ASP 68 Cb -0.17 -0.03 0.65 0.00 -1.46 0.00 0.00 42.92 41.90 1hjd s ASP 68 CO -0.13 -2.57 1.92 -1.22 0.52 0.00 0.00 175.17 173.68 1hjd n TYR 69 N -3.52 3.06 -3.04 -5.34 4.01 -1.26 -4.36 117.16 106.70 1hjd n TYR 69 Ca 0.16 -1.92 -0.23 0.00 -0.16 0.00 0.00 57.90 55.75 1hjd n TYR 69 Cb 0.60 -0.98 -0.04 0.00 -0.31 0.00 0.00 39.34 38.61 1hjd n TYR 69 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1hjd n TYR 70 N -1.11 2.42 -1.71 -0.72 9.36 -1.26 -4.96 117.16 119.17 1hjd n TYR 70 Ca 0.60 -3.91 -0.01 0.00 3.32 0.00 0.00 57.90 57.89 1hjd n TYR 70 Cb 1.59 -0.46 0.00 0.00 -0.63 0.00 0.00 39.34 39.85 1hjd n TYR 70 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1hjd n GLY 71 N -0.03 -0.80 2.66 2.98 0.00 -1.26 -5.06 105.19 103.68 1hjd n GLY 71 Ca 0.28 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.47 -1.14 -4.86 1.61 2.03 -1.26 -4.97 116.55 107.49 1hjd n ASP 72 Ca 0.02 -1.74 -0.22 0.00 0.52 0.00 0.00 54.79 53.38 1hjd n ASP 72 Cb 0.07 1.10 0.09 0.00 -0.72 0.00 0.00 41.12 41.66 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1hjd s LEU 73 N -1.14 3.00 -0.32 -2.67 1.02 -1.26 -4.52 118.68 112.79 1hjd s LEU 73 Ca 0.20 -0.70 -0.02 0.00 0.02 0.00 0.00 54.13 53.64 1hjd s LEU 73 Cb 0.30 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.85 1hjd s LEU 73 CO -0.21 -1.65 0.06 0.00 0.02 0.00 0.00 176.35 174.57 1hjd n ALA 74 N -2.55 -3.45 -2.61 4.21 0.00 -1.26 -4.98 120.51 109.87 1hjd n ALA 74 Ca 0.16 0.57 -0.38 0.00 0.00 0.00 0.00 53.44 53.80 1hjd n ALA 74 Cb 0.61 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.74 3.53 -0.53 0.00 0.00 -1.26 -5.05 121.76 116.71 1hjd s ALA 75 Ca 0.03 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 1hjd s ALA 75 Cb -0.01 -2.45 0.11 0.00 0.00 0.00 0.00 23.12 20.77 1hjd s ALA 75 CO 0.79 -0.50 0.50 0.50 0.00 0.00 0.00 175.76 177.05 1hjd s ARG 76 N 1.66 3.00 0.02 0.00 3.52 -1.26 -5.04 118.95 120.85 1hjd s ARG 76 Ca 0.07 -1.52 -0.30 0.00 -0.13 0.00 0.00 55.73 53.85 1hjd s ARG 76 Cb -0.16 -4.24 -0.07 0.00 -1.56 0.00 0.00 34.95 28.93 1hjd s ARG 76 CO 0.10 -1.26 1.54 -1.17 -0.81 0.00 0.00 175.30 173.70 1hjd s LEU 77 N 1.79 4.33 0.00 -0.88 0.20 -1.26 -4.80 118.68 118.06 1hjd s LEU 77 Ca 0.05 2.27 0.00 0.00 0.69 0.00 0.00 54.13 57.14 1hjd s LEU 77 Cb -0.27 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 41.93 1hjd s LEU 77 CO 0.05 -0.82 0.00 0.61 -0.29 0.00 0.00 176.35 175.90 1hjd n GLY 78 N 3.86 5.87 3.03 7.98 0.00 0.26 -4.90 105.19 121.29 1hjd n GLY 78 Ca 0.15 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 1.34 -0.31 0.09 1.61 1.51 -1.26 -1.49 117.35 118.84 1hjd s TYR 79 Ca 0.00 0.75 -0.24 0.00 -1.01 0.00 0.00 57.07 56.57 1hjd s TYR 79 Cb 0.00 0.02 0.07 0.00 -0.11 0.00 0.00 41.96 41.93 1hjd s TYR 79 CO 0.00 -0.23 0.59 -0.59 -1.11 0.00 0.00 175.55 174.21 1hjd s PHE 80 N 1.34 -0.53 0.70 2.71 -0.12 0.29 -4.74 117.98 117.62 1hjd s PHE 80 Ca -0.08 0.51 -0.16 0.00 -0.05 0.00 0.00 56.93 57.15 1hjd s PHE 80 Cb -0.11 0.47 0.02 0.00 -0.63 0.00 0.00 43.02 42.78 1hjd s PHE 80 CO -0.08 -0.75 1.21 -1.25 -0.05 0.00 0.00 175.22 174.30 1hjd s PRO 81 N -2.94 2.34 0.27 1.99 0.04 -0.85 -0.87 135.00 134.98 1hjd s PRO 81 Ca -0.03 1.79 0.15 0.00 0.04 0.00 0.00 61.00 62.95 1hjd s PRO 81 Cb -0.01 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.75 1hjd s PRO 81 CO -0.06 -1.69 1.45 0.66 0.04 0.00 0.00 177.00 177.40 1hjd h SER 82 N -0.01 0.00 -0.70 6.66 4.64 -1.86 -3.27 113.55 119.01 1hjd h SER 82 Ca -0.48 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.04 1hjd h SER 82 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1hjd h SER 82 CO 0.51 0.52 0.58 0.77 -0.87 0.00 0.00 176.83 178.35 1hjd h SER 83 N 0.00 0.00 -0.02 4.97 4.64 -1.93 0.82 113.55 122.04 1hjd h SER 83 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1hjd h SER 83 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1hjd h SER 83 CO 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1hjd n ILE 84 N -4.02 0.02 -4.28 0.95 0.13 -1.23 -4.83 119.36 106.10 1hjd n ILE 84 Ca 0.14 -0.08 -0.17 0.00 -1.10 0.00 0.00 62.75 61.54 1hjd n ILE 84 Cb 0.84 -0.19 -0.06 0.00 -0.84 0.00 0.00 39.64 39.39 1hjd n ILE 84 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 1hjd n VAL 85 N -0.62 0.00 -3.51 9.51 0.24 0.29 0.11 118.33 124.35 1hjd n VAL 85 Ca 0.21 -2.02 -0.20 0.00 -2.04 0.00 0.00 64.34 60.28 1hjd n VAL 85 Cb 0.17 0.95 -0.14 0.00 -1.47 0.00 0.00 33.84 33.35 1hjd n VAL 85 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1hjd s ARG 86 N -3.17 0.17 0.01 7.34 1.81 0.57 -4.61 118.95 121.07 1hjd s ARG 86 Ca 0.30 0.11 -0.30 0.00 -1.72 0.00 0.00 55.73 54.11 1hjd s ARG 86 Cb 0.01 -1.31 -0.04 0.00 -0.45 0.00 0.00 34.95 33.16 1hjd s ARG 86 CO 0.21 -0.69 1.16 -2.00 -0.68 0.00 0.00 175.30 173.31 1hjd s GLU 87 N 2.28 4.42 0.00 3.54 2.12 -1.26 0.20 118.70 130.01 1hjd s GLU 87 Ca 0.06 1.68 0.00 0.00 0.36 0.00 0.00 54.97 57.07 1hjd s GLU 87 Cb -0.16 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1hjd s GLU 87 CO -0.13 -0.30 0.00 -3.47 -0.54 0.00 0.00 175.26 170.82 1hjd n ASP 88 N 4.40 0.31 -4.90 -1.70 -0.08 -0.39 -4.95 116.55 109.23 1hjd n ASP 88 Ca 0.09 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.08 1hjd n ASP 88 Cb 0.47 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.89 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 -1.99 3.34 0.03 -0.67 0.74 -1.03 -4.98 119.66 115.09 1hjd s GLN 89 Ca 0.00 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.87 1hjd s GLN 89 Cb 0.00 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 31.13 1hjd s GLN 89 CO 0.00 0.57 -0.05 0.95 -0.55 0.00 0.00 175.29 176.21 1hjd s THR 90 N -1.59 0.29 -0.31 -0.34 -4.23 -1.26 0.11 115.64 108.31 1hjd s THR 90 Ca 0.34 -0.97 0.16 0.00 -1.18 0.00 0.00 61.69 60.04 1hjd s THR 90 Cb -0.12 -0.41 0.44 0.00 1.34 0.00 0.00 72.50 73.75 1hjd s THR 90 CO 0.27 -0.44 1.41 -0.11 -0.54 0.00 0.00 174.62 175.21 1hjd n LEU 91 N 1.56 -0.54 -4.47 4.79 0.00 -1.05 -4.88 117.00 112.40 1hjd n LEU 91 Ca -0.23 -3.15 -0.43 0.00 0.00 0.00 0.00 56.01 52.19 1hjd n LEU 91 Cb 0.55 0.21 -0.05 0.00 0.00 0.00 0.00 43.42 44.12 1hjd n LEU 91 CO 0.20 1.51 0.52 -1.59 0.00 0.00 0.00 177.39 178.03 1hjd s LYS 92 N -1.06 3.20 0.35 1.96 -2.85 0.12 -4.50 119.74 116.96 1hjd s LYS 92 Ca 0.14 -0.65 0.18 0.00 -1.00 0.00 0.00 55.97 54.64 1hjd s LYS 92 Cb 0.41 -4.09 0.52 0.00 -2.06 0.00 0.00 37.83 32.61 1hjd s LYS 92 CO -0.10 -1.36 1.66 -1.00 0.10 0.00 0.00 175.35 174.64 1hjd h PRO 93 N 9.15 0.00 -4.69 1.78 0.13 -1.86 -3.46 132.00 133.04 1hjd h PRO 93 Ca -0.27 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.58 1hjd h PRO 93 Cb 1.09 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.07 1hjd h PRO 93 CO 1.03 0.42 -0.62 0.20 -0.23 0.00 0.00 178.00 178.80 1hjd s GLY 94 N -4.39 1.47 -0.36 1.56 0.00 -1.26 -4.78 107.32 99.57 1hjd s GLY 94 Ca 0.01 -1.72 0.13 0.00 0.00 0.00 0.00 44.72 43.14 1hjd s GLY 94 CO 0.70 -1.48 1.20 0.58 0.00 0.00 0.00 173.10 174.11 1hjd n LYS 95 N -0.32 1.21 -3.33 2.90 2.85 -1.18 -3.81 118.16 116.48 1hjd n LYS 95 Ca -0.00 -2.43 -0.38 0.00 -1.05 0.00 0.00 58.31 54.45 1hjd n LYS 95 Cb 0.66 -0.56 -0.06 0.00 -0.65 0.00 0.00 35.03 34.42 1hjd n LYS 95 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1hjd s VAL 96 N -1.30 4.82 0.35 0.58 1.01 -0.49 -4.75 120.40 120.62 1hjd s VAL 96 Ca 0.23 1.12 -0.26 0.00 0.00 0.00 0.00 61.98 63.08 1hjd s VAL 96 Cb 0.42 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 1hjd s VAL 96 CO -0.04 0.56 1.04 -0.62 0.00 0.00 0.00 175.10 176.04 1hjd s ASP 97 N -1.07 7.00 -0.10 3.32 2.15 -1.26 0.12 116.67 126.82 1hjd s ASP 97 Ca 0.28 2.05 -0.04 0.00 0.43 0.00 0.00 52.55 55.27 1hjd s ASP 97 Cb -0.19 -2.59 0.05 0.00 -0.30 0.00 0.00 42.92 39.89 1hjd s ASP 97 CO 0.17 -0.32 0.21 -0.69 -0.17 0.00 0.00 175.17 174.37 1hjd s VAL 98 N -1.52 -0.31 0.64 1.11 1.01 0.53 -4.86 120.40 117.00 1hjd s VAL 98 Ca 0.53 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 1hjd s VAL 98 Cb -0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1hjd s VAL 98 CO 0.30 0.13 1.28 -0.54 0.00 0.00 0.00 175.10 176.28 1hjd s LYS 99 N 2.27 2.60 0.89 2.72 1.02 -1.26 0.07 119.74 128.05 1hjd s LYS 99 Ca 0.01 2.04 -0.14 0.00 0.02 0.00 0.00 55.97 57.90 1hjd s LYS 99 Cb -0.12 -1.85 0.14 0.00 -0.52 0.00 0.00 37.83 35.47 1hjd s LYS 99 CO -0.07 -1.55 1.22 -0.08 -0.92 0.00 0.00 175.35 173.95 1hjd s THR 100 N -1.42 1.98 0.56 2.17 -1.32 0.88 -4.80 115.64 113.69 1hjd s THR 100 Ca 0.82 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 61.21 1hjd s THR 100 Cb -0.37 -2.94 0.14 0.00 -1.51 0.00 0.00 72.50 67.82 1hjd s THR 100 CO 0.39 0.00 0.53 0.47 -2.21 0.00 0.00 174.62 173.80 1hjd n ASP 101 N -3.60 -1.23 0.00 8.08 8.00 -1.26 -4.97 116.55 121.57 1hjd n ASP 101 Ca 0.11 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1hjd n ASP 101 Cb 0.60 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1hjd n ASP 101 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1hjd n LYS 102 N -2.93 0.00 0.20 -1.24 3.00 -1.26 -4.39 118.16 111.54 1hjd n LYS 102 Ca 0.07 0.14 0.18 0.00 -0.00 0.00 0.00 58.31 58.70 1hjd n LYS 102 Cb 0.28 -0.53 0.80 0.00 0.00 0.00 0.00 35.03 35.57 1hjd n LYS 102 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1hjd h TRP 103 N 0.00 0.00 -3.57 5.64 4.06 -2.07 -3.45 115.95 116.56 1hjd h TRP 103 Ca 0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.64 1hjd h TRP 103 Cb 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 29.16 28.21 1hjd h TRP 103 CO 0.00 0.00 -0.47 -3.47 -3.56 0.00 0.00 178.44 170.94 1hjd n ASP 104 N -3.41 -5.10 -1.45 -3.49 -0.08 -1.26 -4.75 116.55 97.02 1hjd n ASP 104 Ca 0.03 -0.23 0.18 0.00 -1.51 0.00 0.00 54.79 53.27 1hjd n ASP 104 Cb 0.48 -3.94 -0.07 0.00 2.34 0.00 0.00 41.12 39.93 1hjd n ASP 104 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1hjd n PHE 105 N -4.23 -3.71 -3.65 -0.67 7.35 -1.26 -4.97 117.46 106.32 1hjd n PHE 105 Ca -0.09 1.94 -0.04 0.00 -0.76 0.00 0.00 57.45 58.50 1hjd n PHE 105 Cb 0.59 -3.37 -0.06 0.00 0.35 0.00 0.00 39.48 36.99 1hjd n PHE 105 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 1hjd s TYR 106 N -3.23 -1.10 -0.86 -5.13 5.04 -1.26 -5.08 117.35 105.73 1hjd s TYR 106 Ca 0.00 1.96 -0.26 0.00 -2.44 0.00 0.00 57.07 56.32 1hjd s TYR 106 Cb 0.00 0.57 -0.16 0.00 0.35 0.00 0.00 41.96 42.72 1hjd s TYR 106 CO 0.00 -0.59 2.34 0.00 -1.34 0.00 0.00 175.55 175.96