#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 2.67 -0.13 0.00 1.01 -1.26 -4.49 116.67 114.47 1hjd s ASP 9 Ca 0.00 -0.68 -0.09 0.00 0.71 0.00 0.00 52.55 52.49 1hjd s ASP 9 Cb 0.00 -0.59 0.05 0.00 1.01 0.00 0.00 42.92 43.38 1hjd s ASP 9 CO 0.00 -0.28 0.33 0.00 0.21 0.00 0.00 175.17 175.43 1hjd s ARG 10 N 1.86 0.33 -0.06 8.23 1.70 -1.26 -2.53 118.95 127.22 1hjd s ARG 10 Ca 0.00 0.59 -0.03 0.00 -0.47 0.00 0.00 55.73 55.82 1hjd s ARG 10 Cb -0.16 0.02 0.03 0.00 -0.57 0.00 0.00 34.95 34.27 1hjd s ARG 10 CO -0.07 -0.12 0.15 0.21 -1.08 0.00 0.00 175.30 174.39 1hjd s LYS 11 N 0.92 0.12 0.11 3.89 2.20 -0.50 -3.19 119.74 123.29 1hjd s LYS 11 Ca -0.06 0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.68 1hjd s LYS 11 Cb -0.07 -0.11 -0.07 0.00 -1.51 0.00 0.00 37.83 36.07 1hjd s LYS 11 CO -0.07 -0.13 0.62 -0.51 -0.36 0.00 0.00 175.35 174.90 1hjd s LEU 12 N 0.90 4.52 0.18 5.43 1.02 -1.26 0.17 118.68 129.64 1hjd s LEU 12 Ca -0.07 1.34 -0.05 0.00 0.02 0.00 0.00 54.13 55.37 1hjd s LEU 12 Cb -0.09 -3.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.05 1hjd s LEU 12 CO -0.05 0.23 0.21 0.00 0.02 0.00 0.00 176.35 176.77 1hjd n ALA 14 N -0.24 1.73 -0.81 0.00 0.00 -1.25 -0.50 120.51 119.45 1hjd n ALA 14 Ca -0.03 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.53 1hjd n ALA 14 Cb 0.64 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.54 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 12.49 -4.61 -3.36 0.00 2.03 -1.26 -1.97 116.55 119.87 1hjd n ASP 15 Ca 0.46 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.43 1hjd n ASP 15 Cb 0.44 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.82 1hjd n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hjd n GLN 16 N -1.45 2.65 0.02 -0.67 3.00 -1.26 -3.30 117.38 116.38 1hjd n GLN 16 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 1hjd n GLN 16 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 30.24 27.49 1hjd n GLN 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1hjd n GLU 17 N 4.66 0.00 -3.66 -1.09 2.13 -1.25 -5.03 120.64 116.41 1hjd n GLU 17 Ca 0.58 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 58.14 1hjd n GLU 17 Cb 0.24 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.01 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 -2.52 -0.49 -3.63 0.00 0.02 -1.92 -3.44 113.55 101.57 1hjd h SER 19 Ca -0.57 0.02 -0.51 0.00 -0.84 0.00 0.00 61.79 59.89 1hjd h SER 19 Cb 1.37 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 1hjd h SER 19 CO 0.59 -0.19 0.40 -1.00 -1.14 0.00 0.00 176.83 175.48 1hjd s HIS 20 N -3.57 3.79 1.12 3.45 3.76 -1.26 -5.03 115.29 117.54 1hjd s HIS 20 Ca -0.08 1.77 -0.17 0.00 -0.15 0.00 0.00 55.06 56.43 1hjd s HIS 20 Cb 0.01 -3.11 0.14 0.00 1.11 0.00 0.00 32.58 30.74 1hjd s HIS 20 CO 0.25 0.01 0.30 -2.30 -0.85 0.00 0.00 174.74 172.15 1hjd n PRO 21 N 2.22 -1.68 0.02 8.40 -0.02 -1.26 -4.74 135.00 137.94 1hjd n PRO 21 Ca 0.01 -0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 60.84 1hjd n PRO 21 Cb 0.47 -1.84 -0.14 0.00 -0.02 0.00 0.00 33.50 31.98 1hjd n PRO 21 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1hjd h ILE 22 N -2.17 1.59 -1.09 4.25 6.09 -0.30 -3.26 117.51 122.61 1hjd h ILE 22 Ca -0.55 -2.49 0.00 0.00 -1.37 0.00 0.00 64.86 60.46 1hjd h ILE 22 Cb 1.35 3.25 0.00 0.00 0.47 0.00 0.00 36.82 41.89 1hjd h ILE 22 CO 0.41 0.69 0.00 -1.54 -3.07 0.00 0.00 178.15 174.63 1hjd n SER 23 N -4.25 0.00 -4.20 2.19 3.41 -0.85 0.41 113.62 110.33 1hjd n SER 23 Ca -0.13 -0.79 -0.27 0.00 -0.26 0.00 0.00 58.87 57.42 1hjd n SER 23 Cb 0.73 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.37 1.82 -0.09 4.33 1.75 0.30 -1.56 119.30 124.48 1hjd s MET 24 Ca 0.00 -0.72 -0.06 0.00 -1.25 0.00 0.00 55.69 53.66 1hjd s MET 24 Cb 0.00 -1.67 0.04 0.00 2.84 0.00 0.00 34.83 36.04 1hjd s MET 24 CO 0.00 0.38 0.23 0.00 -0.65 0.00 0.00 175.02 174.98 1hjd s ALA 25 N -0.29 -0.53 0.06 4.11 0.00 0.23 -1.54 121.76 123.80 1hjd s ALA 25 Ca 0.03 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1hjd s ALA 25 Cb -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1hjd s ALA 25 CO 0.01 -0.16 0.20 0.08 0.00 0.00 0.00 175.76 175.89 1hjd s VAL 26 N 0.77 5.32 0.03 0.00 1.01 -0.19 0.14 120.40 127.48 1hjd s VAL 26 Ca -0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 1hjd s VAL 26 Cb -0.07 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 1hjd s VAL 26 CO -0.05 0.13 1.60 0.00 0.00 0.00 0.00 175.10 176.79 1hjd s ALA 27 N -1.51 3.65 -2.36 5.51 0.00 0.15 0.15 121.76 127.35 1hjd s ALA 27 Ca 0.35 1.08 0.22 0.00 0.00 0.00 0.00 51.96 53.61 1hjd s ALA 27 Cb -0.13 -3.69 0.76 0.00 0.00 0.00 0.00 23.12 20.06 1hjd s ALA 27 CO 0.28 -1.13 1.56 -0.11 0.00 0.00 0.00 175.76 176.36 1hjd n LEU 28 N 5.89 1.83 0.00 0.00 0.00 0.32 -3.74 117.00 121.31 1hjd n LEU 28 Ca 0.16 -0.74 0.00 0.00 0.00 0.00 0.00 56.01 55.43 1hjd n LEU 28 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.74 1hjd n LEU 28 CO 0.62 0.37 0.00 0.00 0.00 0.00 0.00 177.39 178.38 1hjd n GLN 29 N 0.43 0.00 -2.13 1.96 1.13 -1.21 -4.96 117.38 112.59 1hjd n GLN 29 Ca 0.17 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.85 1hjd n GLN 29 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.72 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 5.94 -0.42 1.08 2.15 -1.26 -4.11 116.67 120.06 1hjd s ASP 30 Ca 0.00 2.43 0.07 0.00 0.43 0.00 0.00 52.55 55.47 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 -1.09 0.67 -0.47 -0.17 0.00 0.00 175.17 174.11 1hjd s TYR 31 N -1.48 -1.64 0.21 -5.34 5.04 0.19 -4.92 117.35 109.41 1hjd s TYR 31 Ca 0.66 0.16 -0.31 0.00 -2.44 0.00 0.00 57.07 55.14 1hjd s TYR 31 Cb -0.32 0.30 -0.10 0.00 0.35 0.00 0.00 41.96 42.20 1hjd s TYR 31 CO 0.38 -1.13 1.48 -1.64 -1.34 0.00 0.00 175.55 173.31 1hjd s MET 32 N 1.76 4.25 1.00 4.97 -1.94 -1.26 -1.01 119.30 127.06 1hjd s MET 32 Ca 0.17 2.31 -0.18 0.00 -1.71 0.00 0.00 55.69 56.28 1hjd s MET 32 Cb -0.03 -3.13 -0.15 0.00 2.01 0.00 0.00 34.83 33.52 1hjd s MET 32 CO -0.07 -0.49 -0.88 0.00 -0.01 0.00 0.00 175.02 173.57 1hjd n ALA 33 N 2.99 -5.51 -0.04 3.03 0.00 -1.26 -4.91 120.51 114.82 1hjd n ALA 33 Ca 0.09 -0.77 -0.14 0.00 0.00 0.00 0.00 53.44 52.63 1hjd n ALA 33 Cb 0.40 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.01 0.29 0.00 0.00 0.13 -1.93 -3.50 132.00 125.98 1hjd h PRO 34 Ca -0.43 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1hjd h PRO 34 Cb 1.31 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1hjd h PRO 34 CO 0.23 0.75 0.00 -3.47 -0.23 0.00 0.00 178.00 175.28 1hjd n ASP 35 N -4.58 0.00 0.00 1.44 -0.08 -1.26 -5.08 116.55 107.00 1hjd n ASP 35 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1hjd n ASP 35 Cb 0.38 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.84 1hjd n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hjd n ARG 37 N 0.00 0.24 -0.44 0.00 0.00 -1.26 -5.16 116.66 110.05 1hjd n ARG 37 Ca 0.00 -0.56 -0.24 0.00 -0.00 0.00 0.00 57.85 57.05 1hjd n ARG 37 Cb 0.00 0.41 0.22 0.00 -0.00 0.00 0.00 32.46 33.09 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1hjd n PHE 38 N -0.28 -3.55 -3.88 2.89 3.01 -1.12 -5.00 117.46 109.53 1hjd n PHE 38 Ca -0.13 -0.70 -0.36 0.00 1.01 0.00 0.00 57.45 57.27 1hjd n PHE 38 Cb 0.56 -0.96 -0.11 0.00 -0.01 0.00 0.00 39.48 38.96 1hjd n PHE 38 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1hjd s LEU 39 N 0.00 3.64 0.49 4.37 2.96 -1.26 -4.80 118.68 124.09 1hjd s LEU 39 Ca 0.54 -0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 54.25 1hjd s LEU 39 Cb -0.08 -1.95 -0.07 0.00 0.50 0.00 0.00 46.19 44.59 1hjd s LEU 39 CO 0.44 0.06 0.93 0.28 -1.32 0.00 0.00 176.35 176.74 1hjd s THR 40 N 1.05 4.62 0.03 3.68 -1.32 -1.26 -4.43 115.64 118.01 1hjd s THR 40 Ca 0.04 1.02 0.03 0.00 -1.21 0.00 0.00 61.69 61.57 1hjd s THR 40 Cb -0.14 -3.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.08 1hjd s THR 40 CO 0.03 -0.68 -0.03 -0.63 -2.21 0.00 0.00 174.62 171.10 1hjd s ILE 41 N -2.60 3.89 0.03 5.08 1.01 -0.18 -4.92 121.20 123.50 1hjd s ILE 41 Ca 0.56 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1hjd s ILE 41 Cb -0.10 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 1hjd s ILE 41 CO 0.33 0.30 -0.06 -2.28 0.00 0.00 0.00 174.94 173.23 1hjd s HIS 42 N -1.12 0.52 0.89 3.97 2.46 -1.26 0.57 115.29 121.33 1hjd s HIS 42 Ca 0.20 -0.43 -0.16 0.00 0.47 0.00 0.00 55.06 55.14 1hjd s HIS 42 Cb -0.11 -0.32 -0.09 0.00 -0.13 0.00 0.00 32.58 31.93 1hjd s HIS 42 CO 0.11 -0.10 -0.24 0.54 -2.47 0.00 0.00 174.74 172.59 1hjd n ARG 43 N 1.75 -0.04 -4.12 2.88 5.12 -1.26 -2.86 116.66 118.13 1hjd n ARG 43 Ca -0.21 0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.42 1hjd n ARG 43 Cb 0.55 -1.33 -0.04 0.00 -1.16 0.00 0.00 32.46 30.48 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 -0.25 2.74 -0.13 0.00 -1.25 -4.95 105.19 103.97 1hjd n GLY 44 Ca 0.03 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -6.85 0.70 0.72 1.61 0.74 -1.13 -4.98 119.66 110.47 1hjd s GLN 45 Ca 0.19 -0.50 -0.12 0.00 0.05 0.00 0.00 55.36 54.97 1hjd s GLN 45 Cb -0.10 -2.11 0.03 0.00 1.10 0.00 0.00 33.01 31.93 1hjd s GLN 45 CO 0.93 -0.67 1.10 0.08 -0.55 0.00 0.00 175.29 176.17 1hjd s VAL 46 N 1.82 3.31 0.00 1.34 1.01 -1.26 0.33 120.40 126.96 1hjd s VAL 46 Ca -0.00 0.50 -0.15 0.00 0.00 0.00 0.00 61.98 62.33 1hjd s VAL 46 Cb -0.17 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1hjd s VAL 46 CO -0.10 -0.48 0.31 -0.69 0.00 0.00 0.00 175.10 174.14 1hjd s VAL 47 N -2.67 0.06 -0.38 2.92 1.01 0.36 0.43 120.40 122.15 1hjd s VAL 47 Ca 0.64 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1hjd s VAL 47 Cb -0.18 -0.71 0.10 0.00 0.00 0.00 0.00 36.38 35.59 1hjd s VAL 47 CO 0.50 -0.29 0.14 -0.31 0.00 0.00 0.00 175.10 175.14 1hjd s TYR 48 N -1.66 3.63 -0.14 5.22 2.02 0.34 0.75 117.35 127.51 1hjd s TYR 48 Ca -0.11 -2.57 -0.29 0.00 -0.37 0.00 0.00 57.07 53.72 1hjd s TYR 48 Cb -0.04 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 1hjd s TYR 48 CO 0.02 -0.96 1.55 0.08 -1.57 0.00 0.00 175.55 174.67 1hjd s VAL 49 N 1.07 3.79 -0.14 0.71 1.01 -0.60 -1.82 120.40 124.42 1hjd s VAL 49 Ca 0.08 0.93 0.11 0.00 0.00 0.00 0.00 61.98 63.10 1hjd s VAL 49 Cb -0.21 -3.67 -0.23 0.00 0.00 0.00 0.00 36.38 32.26 1hjd s VAL 49 CO -0.05 -0.16 0.31 0.33 0.00 0.00 0.00 175.10 175.52 1hjd n PHE 50 N 7.44 0.56 -3.69 5.22 -0.00 -0.67 0.27 117.46 126.59 1hjd n PHE 50 Ca 0.17 0.18 -0.12 0.00 -0.00 0.00 0.00 57.45 57.67 1hjd n PHE 50 Cb 0.44 -1.09 -0.06 0.00 -0.00 0.00 0.00 39.48 38.76 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 -6.05 -0.24 -0.45 -2.13 1.04 -0.60 -3.91 113.70 101.36 1hjd s SER 51 Ca -0.12 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.27 1hjd s SER 51 Cb 0.07 0.41 0.16 0.00 0.10 0.00 0.00 66.02 66.77 1hjd s SER 51 CO 0.79 -0.66 0.34 -0.54 0.98 0.00 0.00 173.24 174.15 1hjd s LYS 52 N -2.58 1.12 0.03 4.02 1.02 -1.26 0.41 119.74 122.51 1hjd s LYS 52 Ca -0.05 -2.20 -0.30 0.00 0.02 0.00 0.00 55.97 53.44 1hjd s LYS 52 Cb -0.01 -1.77 -0.08 0.00 -0.52 0.00 0.00 37.83 35.45 1hjd s LYS 52 CO -0.03 -1.34 1.82 -1.17 -0.92 0.00 0.00 175.35 173.71 1hjd s LEU 53 N -0.03 4.39 0.00 3.17 0.20 -1.26 -4.39 118.68 120.75 1hjd s LEU 53 Ca 0.29 2.55 0.01 0.00 0.69 0.00 0.00 54.13 57.66 1hjd s LEU 53 Cb -0.02 -3.54 0.01 0.00 -0.43 0.00 0.00 46.19 42.20 1hjd s LEU 53 CO -0.16 -0.99 0.05 2.29 -0.29 0.00 0.00 176.35 177.25 1hjd n LYS 54 N 6.88 1.51 0.00 1.98 2.85 -1.19 -0.94 118.16 129.24 1hjd n LYS 54 Ca 0.18 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.64 1hjd n LYS 54 Cb 0.41 0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 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 3.56 1.36 0.05 2.58 0.00 -1.26 -3.50 105.19 107.98 1hjd n GLY 55 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1hjd n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hjd n ARG 56 N 0.00 -0.74 -0.67 1.61 1.74 -1.26 -4.75 116.66 112.59 1hjd n ARG 56 Ca 0.00 -0.57 -0.01 0.00 -0.77 0.00 0.00 57.85 56.50 1hjd n ARG 56 Cb 0.00 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hjd n GLY 57 N 0.08 0.80 0.28 -0.13 0.00 -1.23 -4.95 105.19 100.04 1hjd n GLY 57 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 0.07 0.37 0.00 1.61 2.43 -1.24 0.49 114.38 118.11 1hjd h ARG 58 Ca -0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1hjd h ARG 58 Cb 1.22 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1hjd h ARG 58 CO -0.05 0.24 0.00 1.37 -1.51 0.00 0.00 179.97 180.02 1hjd h LEU 59 N 0.38 0.00 -7.36 3.80 -0.00 -1.93 -3.34 115.31 106.86 1hjd h LEU 59 Ca 0.42 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.67 1hjd h LEU 59 Cb 0.68 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 40.93 1hjd h LEU 59 CO -0.44 0.00 -0.70 -0.36 -0.00 0.00 0.00 178.44 176.94 1hjd s PHE 60 N -3.55 2.90 0.98 0.17 0.40 0.17 -2.74 117.98 116.31 1hjd s PHE 60 Ca -0.01 -2.76 -0.16 0.00 -0.60 0.00 0.00 56.93 53.40 1hjd s PHE 60 Cb 0.07 -2.50 0.22 0.00 0.51 0.00 0.00 43.02 41.32 1hjd s PHE 60 CO 0.26 -0.83 1.33 -1.58 0.70 0.00 0.00 175.22 175.10 1hjd s TRP 61 N 0.49 1.30 -0.03 0.36 0.52 0.28 -4.42 118.94 117.43 1hjd s TRP 61 Ca 0.14 0.19 0.02 0.00 0.02 0.00 0.00 56.10 56.47 1hjd s TRP 61 Cb -0.22 -4.18 0.01 0.00 -1.15 0.00 0.00 33.47 27.92 1hjd s TRP 61 CO -0.06 -2.78 -0.09 0.20 0.02 0.00 0.00 176.95 174.24 1hjd s GLY 62 N -4.95 0.57 0.00 0.98 0.00 0.16 0.10 107.32 104.19 1hjd s GLY 62 Ca 0.76 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1hjd s GLY 62 CO 0.53 -0.00 0.00 0.61 0.00 0.00 0.00 173.10 174.24 1hjd n GLY 63 N 3.45 2.14 3.53 0.20 0.00 -0.04 -1.56 105.19 112.90 1hjd n GLY 63 Ca -0.20 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 2.00 -0.69 0.44 1.61 0.01 -0.76 -0.52 113.70 115.80 1hjd s SER 64 Ca 0.00 1.27 -0.22 0.00 1.31 0.00 0.00 55.95 58.31 1hjd s SER 64 Cb 0.00 1.26 -0.08 0.00 0.21 0.00 0.00 66.02 67.41 1hjd s SER 64 CO 0.00 -0.22 1.07 0.68 0.41 0.00 0.00 173.24 175.18 1hjd s VAL 65 N 0.59 3.63 0.37 3.43 -7.23 -1.26 0.13 120.40 120.06 1hjd s VAL 65 Ca -0.02 1.15 -0.26 0.00 -1.81 0.00 0.00 61.98 61.04 1hjd s VAL 65 Cb -0.05 -3.54 -0.12 0.00 0.56 0.00 0.00 36.38 33.23 1hjd s VAL 65 CO -0.03 -0.09 1.08 0.00 -0.31 0.00 0.00 175.10 175.75 1hjd n GLN 66 N -0.50 1.53 -1.30 4.82 10.64 0.17 -4.81 117.38 127.93 1hjd n GLN 66 Ca 0.07 0.54 0.03 0.00 -1.83 0.00 0.00 57.00 55.82 1hjd n GLN 66 Cb 0.50 -2.07 0.02 0.00 -0.86 0.00 0.00 30.24 27.84 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 1.09 1.01 0.19 2.61 0.00 -1.26 -4.89 105.19 103.94 1hjd n GLY 67 Ca 0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 1hjd n GLY 67 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hjd h ASP 68 N 0.82 0.40 -4.09 1.61 3.58 -2.01 -3.43 116.42 113.30 1hjd h ASP 68 Ca -0.18 0.01 -0.50 0.00 0.42 0.00 0.00 57.03 56.78 1hjd h ASP 68 Cb 1.79 -0.07 0.17 0.00 1.72 0.00 0.00 39.33 42.94 1hjd h ASP 68 CO 0.08 0.28 0.22 -0.31 -2.88 0.00 0.00 179.24 176.64 1hjd s TYR 69 N -6.15 2.01 0.23 0.28 1.51 -1.26 -4.92 117.35 109.05 1hjd s TYR 69 Ca -0.13 1.50 -0.31 0.00 -1.01 0.00 0.00 57.07 57.12 1hjd s TYR 69 Cb 0.12 -3.18 -0.11 0.00 -0.11 0.00 0.00 41.96 38.68 1hjd s TYR 69 CO 0.73 -2.59 1.63 0.71 -1.11 0.00 0.00 175.55 174.92 1hjd s TYR 70 N -2.76 2.90 0.00 2.71 1.51 -1.26 -4.74 117.35 115.70 1hjd s TYR 70 Ca 0.65 0.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.28 1hjd s TYR 70 Cb -0.20 -4.05 0.00 0.00 -0.11 0.00 0.00 41.96 37.59 1hjd s TYR 70 CO 0.58 -3.81 0.00 0.41 -1.11 0.00 0.00 175.55 171.62 1hjd n GLY 71 N 3.28 -1.47 1.39 0.71 0.00 -1.26 -5.06 105.19 102.78 1hjd n GLY 71 Ca 0.13 0.75 -0.01 0.00 0.00 0.00 0.00 46.02 46.89 1hjd n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hjd n ASP 72 N 0.00 -2.13 -3.93 1.61 8.00 -1.26 -5.05 116.55 113.78 1hjd n ASP 72 Ca 0.00 -0.03 -0.30 0.00 0.71 0.00 0.00 54.79 55.16 1hjd n ASP 72 Cb 0.00 -0.73 -0.15 0.00 -0.02 0.00 0.00 41.12 40.22 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hjd s LEU 73 N -2.73 4.08 -0.61 0.64 1.43 -1.26 -4.87 118.68 115.36 1hjd s LEU 73 Ca 0.01 -2.29 -0.07 0.00 -1.03 0.00 0.00 54.13 50.75 1hjd s LEU 73 Cb -0.00 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.77 1hjd s LEU 73 CO 0.04 -0.35 0.66 0.00 0.23 0.00 0.00 176.35 176.93 1hjd n ALA 74 N 4.05 -2.71 -3.08 4.21 0.00 -1.26 -4.99 120.51 116.73 1hjd n ALA 74 Ca 0.04 0.48 -0.37 0.00 0.00 0.00 0.00 53.44 53.59 1hjd n ALA 74 Cb 0.39 -2.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.29 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 -2.81 3.14 -0.05 0.00 0.00 -1.26 -5.07 121.76 115.70 1hjd s ALA 75 Ca 0.11 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 1hjd s ALA 75 Cb -0.03 -2.12 0.08 0.00 0.00 0.00 0.00 23.12 21.05 1hjd s ALA 75 CO 0.76 -0.65 0.72 1.03 0.00 0.00 0.00 175.76 177.63 1hjd s ARG 76 N 1.58 1.01 -0.05 0.00 1.81 -1.26 -5.12 118.95 116.91 1hjd s ARG 76 Ca 0.05 0.21 -0.30 0.00 -1.72 0.00 0.00 55.73 53.97 1hjd s ARG 76 Cb -0.16 0.47 -0.07 0.00 -0.45 0.00 0.00 34.95 34.75 1hjd s ARG 76 CO 0.03 -0.32 1.85 -1.17 -0.68 0.00 0.00 175.30 175.01 1hjd s LEU 77 N -1.27 4.23 0.42 2.53 2.96 -1.26 -4.81 118.68 121.48 1hjd s LEU 77 Ca -0.09 2.33 0.07 0.00 -0.22 0.00 0.00 54.13 56.22 1hjd s LEU 77 Cb -0.00 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 1hjd s LEU 77 CO 0.08 -1.13 0.29 -0.83 -1.32 0.00 0.00 176.35 173.43 1hjd s GLY 78 N 4.47 2.24 -0.16 7.98 0.00 0.32 -4.87 107.32 117.30 1hjd s GLY 78 Ca 0.83 -1.97 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 1hjd s GLY 78 CO 0.36 -1.80 -0.05 -0.19 0.00 0.00 0.00 173.10 171.41 1hjd s TYR 79 N -2.54 2.98 -0.15 1.90 2.02 -1.26 -0.86 117.35 119.44 1hjd s TYR 79 Ca 0.45 -0.43 -0.27 0.00 -0.37 0.00 0.00 57.07 56.44 1hjd s TYR 79 Cb 0.00 -1.96 0.07 0.00 -0.40 0.00 0.00 41.96 39.67 1hjd s TYR 79 CO 0.25 -0.13 0.67 -0.59 -1.57 0.00 0.00 175.55 174.18 1hjd s PHE 80 N 0.52 -0.69 1.05 2.71 -0.71 0.29 -4.77 117.98 116.39 1hjd s PHE 80 Ca -0.04 1.43 -0.14 0.00 -1.04 0.00 0.00 56.93 57.14 1hjd s PHE 80 Cb -0.15 0.33 0.13 0.00 -1.21 0.00 0.00 43.02 42.12 1hjd s PHE 80 CO 0.03 -0.49 0.49 -2.30 -1.34 0.00 0.00 175.22 171.61 1hjd n PRO 81 N 1.77 -1.23 -0.01 1.99 -0.02 -1.11 -0.56 135.00 135.83 1hjd n PRO 81 Ca -0.17 -0.33 -0.04 0.00 -2.02 0.00 0.00 63.50 60.95 1hjd n PRO 81 Cb 0.56 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.99 1hjd n PRO 81 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hjd n SER 82 N -2.58 0.72 0.09 2.55 3.41 -1.26 -4.36 113.62 112.19 1hjd n SER 82 Ca 0.04 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.84 1hjd n SER 82 Cb 0.57 0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 64.70 1hjd n SER 82 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1hjd h SER 83 N 0.00 -1.34 -0.97 4.04 4.64 -1.92 -1.53 113.55 116.47 1hjd h SER 83 Ca -0.25 0.15 0.23 0.00 -0.47 0.00 0.00 61.79 61.45 1hjd h SER 83 Cb 1.80 0.51 -0.08 0.00 -0.31 0.00 0.00 62.40 64.33 1hjd h SER 83 CO 0.05 -0.50 0.64 0.40 -0.87 0.00 0.00 176.83 176.56 1hjd h ILE 84 N -0.65 0.61 -1.46 0.95 5.03 -1.96 -3.42 117.51 116.61 1hjd h ILE 84 Ca 0.02 -0.13 -0.45 0.00 -0.12 0.00 0.00 64.86 64.19 1hjd h ILE 84 Cb 0.69 0.19 0.03 0.00 -3.03 0.00 0.00 36.82 34.71 1hjd h ILE 84 CO -0.28 0.07 -0.16 0.68 -0.68 0.00 0.00 178.15 177.78 1hjd s VAL 85 N -5.42 2.65 -0.21 1.67 -7.23 -0.58 0.12 120.40 111.39 1hjd s VAL 85 Ca -0.08 -0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 1hjd s VAL 85 Cb 0.24 -2.72 0.07 0.00 0.56 0.00 0.00 36.38 34.53 1hjd s VAL 85 CO 0.79 0.00 0.09 -0.60 -0.31 0.00 0.00 175.10 175.07 1hjd s ARG 86 N -4.56 0.26 0.00 4.82 3.52 0.40 -4.67 118.95 118.73 1hjd s ARG 86 Ca 0.58 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 1hjd s ARG 86 Cb -0.08 -1.74 -0.05 0.00 -1.56 0.00 0.00 34.95 31.52 1hjd s ARG 86 CO 0.36 -0.77 1.22 -2.00 -0.81 0.00 0.00 175.30 173.31 1hjd s GLU 87 N 2.04 4.38 -0.01 5.12 2.12 -1.26 -1.02 118.70 130.07 1hjd s GLU 87 Ca 0.03 1.75 -0.00 0.00 0.36 0.00 0.00 54.97 57.11 1hjd s GLU 87 Cb -0.16 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 1hjd s GLU 87 CO -0.16 -0.38 -0.01 -3.47 -0.54 0.00 0.00 175.26 170.70 1hjd n ASP 88 N 4.65 0.67 -4.93 -1.70 2.03 -0.59 -4.95 116.55 111.72 1hjd n ASP 88 Ca 0.10 0.01 -0.28 0.00 0.52 0.00 0.00 54.79 55.14 1hjd n ASP 88 Cb 0.46 -0.03 -0.03 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 -2.02 3.44 0.03 -0.67 0.74 -1.20 -4.98 119.66 115.00 1hjd s GLN 89 Ca -0.02 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.88 1hjd s GLN 89 Cb 0.01 -3.00 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1hjd s GLN 89 CO 0.02 0.56 -0.05 0.95 -0.55 0.00 0.00 175.29 176.22 1hjd s THR 90 N -1.64 0.31 -0.20 -0.34 -4.23 -1.26 0.11 115.64 108.39 1hjd s THR 90 Ca 0.35 -0.97 0.14 0.00 -1.18 0.00 0.00 61.69 60.02 1hjd s THR 90 Cb -0.12 -0.42 0.34 0.00 1.34 0.00 0.00 72.50 73.64 1hjd s THR 90 CO 0.28 -0.43 1.28 -0.11 -0.54 0.00 0.00 174.62 175.10 1hjd n LEU 91 N 1.57 -0.42 -4.55 4.79 0.00 -0.78 -4.89 117.00 112.73 1hjd n LEU 91 Ca -0.23 -2.75 -0.43 0.00 0.00 0.00 0.00 56.01 52.60 1hjd n LEU 91 Cb 0.55 0.14 -0.04 0.00 0.00 0.00 0.00 43.42 44.07 1hjd n LEU 91 CO 0.20 1.38 0.72 -0.75 0.00 0.00 0.00 177.39 178.94 1hjd s LYS 92 N -0.77 3.44 0.04 1.96 2.20 0.17 -4.45 119.74 122.33 1hjd s LYS 92 Ca 0.14 -0.04 -0.11 0.00 -0.36 0.00 0.00 55.97 55.60 1hjd s LYS 92 Cb 0.31 -3.97 -0.33 0.00 -1.51 0.00 0.00 37.83 32.33 1hjd s LYS 92 CO -0.08 -1.30 1.04 -1.00 -0.36 0.00 0.00 175.35 173.65 1hjd h PRO 93 N 9.15 0.43 -5.63 4.03 0.13 -1.86 -3.47 132.00 134.78 1hjd h PRO 93 Ca -0.25 -0.74 -0.57 0.00 -0.87 0.00 0.00 66.00 63.58 1hjd h PRO 93 Cb 1.08 0.27 -0.14 0.00 0.13 0.00 0.00 31.00 32.35 1hjd h PRO 93 CO 1.04 1.35 -0.64 0.20 -0.23 0.00 0.00 178.00 179.71 1hjd s GLY 94 N -4.64 2.18 -0.36 1.56 0.00 -1.26 -4.96 107.32 99.83 1hjd s GLY 94 Ca -0.07 -2.10 0.13 0.00 0.00 0.00 0.00 44.72 42.68 1hjd s GLY 94 CO 0.92 -1.97 1.19 0.58 0.00 0.00 0.00 173.10 173.82 1hjd n LYS 95 N -0.77 1.19 -3.60 2.90 2.85 -1.17 -3.76 118.16 115.79 1hjd n LYS 95 Ca -0.05 -2.44 -0.37 0.00 -1.05 0.00 0.00 58.31 54.40 1hjd n LYS 95 Cb 0.65 -0.57 -0.06 0.00 -0.65 0.00 0.00 35.03 34.40 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 -1.29 5.15 0.59 0.58 1.01 0.34 -4.75 120.40 122.03 1hjd s VAL 96 Ca 0.24 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 1hjd s VAL 96 Cb 0.43 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1hjd s VAL 96 CO -0.03 0.53 1.07 -0.62 0.00 0.00 0.00 175.10 176.04 1hjd s ASP 97 N -1.22 5.74 -0.23 3.32 2.15 -1.26 0.41 116.67 125.57 1hjd s ASP 97 Ca 0.24 1.88 -0.03 0.00 0.43 0.00 0.00 52.55 55.06 1hjd s ASP 97 Cb -0.15 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.03 1hjd s ASP 97 CO 0.12 -1.20 0.23 -0.69 -0.17 0.00 0.00 175.17 173.47 1hjd s VAL 98 N -2.35 -0.32 0.02 1.11 1.01 0.45 -4.84 120.40 115.48 1hjd s VAL 98 Ca 0.65 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1hjd s VAL 98 Cb -0.17 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1hjd s VAL 98 CO 0.35 -0.32 1.94 -1.59 0.00 0.00 0.00 175.10 175.48 1hjd s LYS 99 N 2.31 4.11 -0.19 2.72 -2.85 -1.26 -1.40 119.74 123.19 1hjd s LYS 99 Ca 0.08 2.55 -0.24 0.00 -1.00 0.00 0.00 55.97 57.36 1hjd s LYS 99 Cb -0.15 -4.15 -0.02 0.00 -2.06 0.00 0.00 37.83 31.45 1hjd s LYS 99 CO -0.20 -0.98 0.78 0.99 0.10 0.00 0.00 175.35 176.04 1hjd s THR 100 N 4.54 4.91 -0.05 3.79 2.01 -1.05 -4.82 115.64 124.97 1hjd s THR 100 Ca 0.87 1.50 0.02 0.00 0.31 0.00 0.00 61.69 64.39 1hjd s THR 100 Cb -0.41 -4.08 0.06 0.00 0.01 0.00 0.00 72.50 68.08 1hjd s THR 100 CO 0.40 0.03 0.59 -0.67 -0.69 0.00 0.00 174.62 174.28 1hjd n ASP 101 N 5.30 -0.30 0.15 3.53 -0.08 -1.26 -4.67 116.55 119.22 1hjd n ASP 101 Ca 0.03 -1.03 0.00 0.00 -1.51 0.00 0.00 54.79 52.28 1hjd n ASP 101 Cb 0.49 0.13 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1hjd n ASP 101 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1hjd n LYS 102 N -0.25 0.00 0.18 -0.67 3.00 -1.26 -4.86 118.16 114.30 1hjd n LYS 102 Ca -0.05 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.45 1hjd n LYS 102 Cb 0.52 0.00 0.78 0.00 0.00 0.00 0.00 35.03 36.32 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 -5.02 5.64 4.06 -1.98 -3.46 115.95 115.20 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 -0.69 -3.47 -3.56 0.00 0.00 178.44 170.72 1hjd n ASP 104 N -3.47 -7.49 -4.24 -3.49 2.03 -1.26 -4.95 116.55 93.68 1hjd n ASP 104 Ca 0.04 0.91 -0.42 0.00 0.52 0.00 0.00 54.79 55.85 1hjd n ASP 104 Cb 0.52 -5.00 -0.04 0.00 -0.72 0.00 0.00 41.12 35.88 1hjd n ASP 104 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1hjd s PHE 105 N -1.98 3.96 -0.10 -0.67 0.08 -1.26 -5.00 117.98 113.01 1hjd s PHE 105 Ca 0.11 -2.67 -0.06 0.00 0.12 0.00 0.00 56.93 54.43 1hjd s PHE 105 Cb -0.03 -3.57 0.04 0.00 -0.57 0.00 0.00 43.02 38.88 1hjd s PHE 105 CO 0.71 -0.88 0.24 -0.47 -0.10 0.00 0.00 175.22 174.72 1hjd s TYR 106 N -0.88 -0.29 0.96 0.36 6.14 -1.26 -5.15 117.35 117.22 1hjd s TYR 106 Ca 0.26 0.71 -0.10 0.00 0.64 0.00 0.00 57.07 58.57 1hjd s TYR 106 Cb -0.10 0.06 0.17 0.00 0.42 0.00 0.00 41.96 42.51 1hjd s TYR 106 CO -0.09 -0.19 1.12 0.00 0.64 0.00 0.00 175.55 177.03