#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 6.79 0.22 0.00 2.15 -1.26 -5.01 116.67 119.56 1hjd s ASP 9 Ca 0.00 0.98 0.10 0.00 0.43 0.00 0.00 52.55 54.07 1hjd s ASP 9 Cb 0.00 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 40.16 1hjd s ASP 9 CO 0.00 -0.48 -0.19 0.00 -0.17 0.00 0.00 175.17 174.33 1hjd s ARG 10 N 2.73 1.48 -0.07 4.34 3.03 -1.26 -0.47 118.95 128.73 1hjd s ARG 10 Ca 0.33 -1.60 -0.19 0.00 2.03 0.00 0.00 55.73 56.31 1hjd s ARG 10 Cb -0.15 -1.55 0.04 0.00 -1.03 0.00 0.00 34.95 32.25 1hjd s ARG 10 CO 0.08 0.30 0.44 -1.59 -1.13 0.00 0.00 175.30 173.39 1hjd s LYS 11 N -3.19 0.71 0.09 3.89 0.00 -0.54 -3.66 119.74 117.04 1hjd s LYS 11 Ca 0.23 0.17 -0.20 0.00 0.00 0.00 0.00 55.97 56.17 1hjd s LYS 11 Cb -0.05 0.33 -0.07 0.00 0.00 0.00 0.00 37.83 38.04 1hjd s LYS 11 CO 0.10 -0.17 0.61 -0.51 0.00 0.00 0.00 175.35 175.38 1hjd s LEU 12 N -0.79 4.54 0.45 2.77 1.02 -1.26 0.17 118.68 125.58 1hjd s LEU 12 Ca -0.09 1.34 0.03 0.00 0.02 0.00 0.00 54.13 55.43 1hjd s LEU 12 Cb -0.03 -2.99 -0.02 0.00 0.02 0.00 0.00 46.19 43.17 1hjd s LEU 12 CO 0.04 0.26 0.09 0.00 0.02 0.00 0.00 176.35 176.76 1hjd n ALA 14 N -1.05 5.97 -0.91 0.00 0.00 -1.24 -0.48 120.51 122.80 1hjd n ALA 14 Ca -0.11 -2.14 0.12 0.00 0.00 0.00 0.00 53.44 51.31 1hjd n ALA 14 Cb 0.65 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 1.35 -5.30 0.00 0.00 -0.08 -1.26 -4.10 116.55 107.16 1hjd n ASP 15 Ca 0.39 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 1hjd n ASP 15 Cb 0.67 -2.94 0.00 0.00 2.34 0.00 0.00 41.12 41.19 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 -2.85 0.00 -1.29 -0.67 -0.06 -1.26 -1.95 117.38 109.30 1hjd n GLN 16 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 1hjd n GLN 16 Cb 0.60 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.79 1hjd n GLN 16 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1hjd n GLU 17 N 0.00 0.28 -3.27 3.69 4.07 -1.26 -4.98 120.64 119.16 1hjd n GLU 17 Ca 0.00 -0.54 -0.23 0.00 -0.06 0.00 0.00 57.16 56.33 1hjd n GLU 17 Cb 0.00 0.38 0.05 0.00 -0.06 0.00 0.00 31.44 31.82 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hjd h SER 19 N -1.92 0.59 -3.15 0.00 0.87 -1.84 -3.46 113.55 104.65 1hjd h SER 19 Ca -0.55 -0.93 -0.59 0.00 -1.23 0.00 0.00 61.79 58.49 1hjd h SER 19 Cb 1.37 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 63.08 1hjd h SER 19 CO 0.57 1.56 -0.13 -1.00 -0.53 0.00 0.00 176.83 177.30 1hjd s HIS 20 N -2.50 3.71 0.77 2.24 3.76 -1.26 -5.08 115.29 116.93 1hjd s HIS 20 Ca -0.13 1.07 -0.11 0.00 -0.15 0.00 0.00 55.06 55.73 1hjd s HIS 20 Cb 0.03 -2.41 0.17 0.00 1.11 0.00 0.00 32.58 31.48 1hjd s HIS 20 CO 0.86 0.53 0.39 -2.30 -0.85 0.00 0.00 174.74 173.37 1hjd n PRO 21 N 2.17 -2.11 -0.05 8.40 -0.02 -1.26 -4.54 135.00 137.60 1hjd n PRO 21 Ca -0.11 -0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 60.61 1hjd n PRO 21 Cb 0.52 -1.06 -0.04 0.00 -0.02 0.00 0.00 33.50 32.90 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 -4.19 0.54 -3.77 4.25 0.13 -0.69 -4.23 119.36 111.40 1hjd n ILE 22 Ca 0.06 -0.16 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 1hjd n ILE 22 Cb 0.27 -1.37 0.00 0.00 -0.84 0.00 0.00 39.64 37.70 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 -3.22 0.00 -4.30 9.51 3.41 -1.23 0.15 113.62 117.93 1hjd n SER 23 Ca -0.19 -0.88 -0.29 0.00 -0.26 0.00 0.00 58.87 57.25 1hjd n SER 23 Cb 0.65 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.63 1.80 -0.13 4.33 1.75 0.26 -2.68 119.30 122.99 1hjd s MET 24 Ca 0.00 -0.99 -0.06 0.00 -1.25 0.00 0.00 55.69 53.39 1hjd s MET 24 Cb 0.00 -1.87 0.06 0.00 2.84 0.00 0.00 34.83 35.86 1hjd s MET 24 CO 0.00 0.50 0.29 0.00 -0.65 0.00 0.00 175.02 175.16 1hjd s ALA 25 N -0.71 -0.69 0.12 4.11 0.00 0.32 -2.16 121.76 122.75 1hjd s ALA 25 Ca 0.10 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 1hjd s ALA 25 Cb -0.10 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1hjd s ALA 25 CO 0.01 -0.43 0.31 0.08 0.00 0.00 0.00 175.76 175.74 1hjd s VAL 26 N 1.84 5.26 -0.03 0.00 1.01 0.41 0.12 120.40 129.00 1hjd s VAL 26 Ca -0.05 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1hjd s VAL 26 Cb -0.11 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1hjd s VAL 26 CO -0.10 0.05 1.62 0.00 0.00 0.00 0.00 175.10 176.67 1hjd s ALA 27 N -1.63 3.62 -2.24 5.51 0.00 0.21 0.14 121.76 127.38 1hjd s ALA 27 Ca 0.38 0.96 0.27 0.00 0.00 0.00 0.00 51.96 53.57 1hjd s ALA 27 Cb -0.12 -3.72 1.31 0.00 0.00 0.00 0.00 23.12 20.59 1hjd s ALA 27 CO 0.26 -1.31 1.88 -0.11 0.00 0.00 0.00 175.76 176.49 1hjd n LEU 28 N 6.75 0.83 0.00 0.00 7.94 0.80 -3.56 117.00 129.77 1hjd n LEU 28 Ca 0.17 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1hjd n LEU 28 Cb 0.43 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1hjd n LEU 28 CO 0.62 0.15 0.00 0.00 -1.11 0.00 0.00 177.39 177.05 1hjd n GLN 29 N -0.32 -1.54 -2.37 1.96 10.64 -1.25 -4.96 117.38 119.54 1hjd n GLN 29 Ca 0.20 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 55.01 1hjd n GLN 29 Cb 0.23 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.60 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 6.12 -0.47 2.61 2.15 -1.26 -3.91 116.67 121.91 1hjd s ASP 30 Ca 0.00 2.12 0.06 0.00 0.43 0.00 0.00 52.55 55.16 1hjd s ASP 30 Cb 0.00 -2.58 0.19 0.00 -0.30 0.00 0.00 42.92 40.23 1hjd s ASP 30 CO 0.00 -0.94 0.72 -0.47 -0.17 0.00 0.00 175.17 174.30 1hjd s TYR 31 N -1.77 -1.58 -1.14 -5.34 5.04 0.27 -4.92 117.35 107.91 1hjd s TYR 31 Ca 0.67 -0.25 -0.24 0.00 -2.44 0.00 0.00 57.07 54.81 1hjd s TYR 31 Cb -0.22 0.30 -0.15 0.00 0.35 0.00 0.00 41.96 42.24 1hjd s TYR 31 CO 0.27 -1.18 2.02 -1.64 -1.34 0.00 0.00 175.55 173.67 1hjd s MET 32 N 1.24 1.89 -0.93 4.97 -1.94 -1.26 -1.53 119.30 121.73 1hjd s MET 32 Ca 0.25 -0.83 -0.27 0.00 -1.71 0.00 0.00 55.69 53.13 1hjd s MET 32 Cb -0.01 -5.12 -0.22 0.00 2.01 0.00 0.00 34.83 31.49 1hjd s MET 32 CO -0.06 -4.67 2.47 0.00 -0.01 0.00 0.00 175.02 172.75 1hjd n ALA 33 N 16.80 0.35 -1.29 3.03 0.00 -1.26 -4.76 120.51 133.38 1hjd n ALA 33 Ca 0.43 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 1hjd n ALA 33 Cb 0.47 -2.13 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 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 7.66 3.07 -3.61 0.00 -0.04 -1.26 -3.39 135.00 137.44 1hjd n PRO 34 Ca 0.62 -1.93 -0.28 0.00 -0.04 0.00 0.00 63.50 61.87 1hjd n PRO 34 Cb 0.04 -2.43 -0.12 0.00 -0.04 0.00 0.00 33.50 30.95 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 1.73 3.08 -1.57 3.54 1.01 -1.26 -4.85 116.67 118.35 1hjd s ASP 35 Ca 0.66 -2.88 -0.04 0.00 0.71 0.00 0.00 52.55 50.99 1hjd s ASP 35 Cb 0.25 -0.85 0.00 0.00 1.01 0.00 0.00 42.92 43.33 1hjd s ASP 35 CO -0.06 -0.22 0.54 0.00 0.21 0.00 0.00 175.17 175.65 1hjd n ARG 37 N -3.89 -3.55 0.00 0.00 0.63 -1.26 -5.02 116.66 103.57 1hjd n ARG 37 Ca -0.13 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1hjd n ARG 37 Cb 0.63 -5.83 0.00 0.00 0.45 0.00 0.00 32.46 27.71 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 -3.51 -3.15 -2.62 -0.14 3.72 -1.10 -4.95 117.46 105.71 1hjd n PHE 38 Ca -0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 1hjd n PHE 38 Cb 0.63 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.14 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 3.47 0.75 4.37 2.96 -1.26 -4.78 118.68 124.19 1hjd s LEU 39 Ca 0.00 -0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 53.47 1hjd s LEU 39 Cb 0.00 -2.77 0.05 0.00 0.50 0.00 0.00 46.19 43.97 1hjd s LEU 39 CO 0.00 -1.62 1.12 0.28 -1.32 0.00 0.00 176.35 174.80 1hjd s THR 40 N 5.14 3.00 -0.00 3.68 -1.32 -1.26 -4.62 115.64 120.26 1hjd s THR 40 Ca 0.36 0.39 0.04 0.00 -1.21 0.00 0.00 61.69 61.27 1hjd s THR 40 Cb -0.09 -2.83 -0.03 0.00 -1.51 0.00 0.00 72.50 68.04 1hjd s THR 40 CO 0.18 -0.36 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.48 1hjd s ILE 41 N -2.57 3.22 0.06 5.08 1.01 -0.58 -4.91 121.20 122.51 1hjd s ILE 41 Ca 0.65 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1hjd s ILE 41 Cb -0.20 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1hjd s ILE 41 CO 0.50 0.44 -0.11 -2.28 0.00 0.00 0.00 174.94 173.49 1hjd s HIS 42 N -0.90 0.97 0.99 3.97 2.46 -1.26 0.97 115.29 122.50 1hjd s HIS 42 Ca 0.15 -0.51 -0.17 0.00 0.47 0.00 0.00 55.06 55.00 1hjd s HIS 42 Cb -0.11 -0.55 -0.07 0.00 -0.13 0.00 0.00 32.58 31.72 1hjd s HIS 42 CO 0.05 -0.01 -0.39 0.54 -2.47 0.00 0.00 174.74 172.46 1hjd n ARG 43 N 1.23 -0.23 -4.30 2.88 5.12 -1.25 -2.80 116.66 117.31 1hjd n ARG 43 Ca -0.21 -0.05 -0.36 0.00 -1.93 0.00 0.00 57.85 55.30 1hjd n ARG 43 Cb 0.55 -1.36 -0.05 0.00 -1.16 0.00 0.00 32.46 30.44 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 2.67 -0.36 2.90 -0.13 0.00 -1.23 -4.93 105.19 104.12 1hjd n GLY 44 Ca 0.01 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -7.04 1.42 0.64 1.61 0.74 -1.12 -4.96 119.66 110.95 1hjd s GLN 45 Ca 0.57 -1.02 -0.15 0.00 0.05 0.00 0.00 55.36 54.80 1hjd s GLN 45 Cb -0.32 -2.53 -0.01 0.00 1.10 0.00 0.00 33.01 31.25 1hjd s GLN 45 CO 0.96 -0.67 1.10 0.08 -0.55 0.00 0.00 175.29 176.21 1hjd s VAL 46 N 1.42 3.38 0.02 1.34 1.01 -1.26 0.67 120.40 126.98 1hjd s VAL 46 Ca -0.02 0.65 -0.14 0.00 0.00 0.00 0.00 61.98 62.47 1hjd s VAL 46 Cb -0.19 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1hjd s VAL 46 CO -0.09 -0.39 0.29 -0.69 0.00 0.00 0.00 175.10 174.23 1hjd s VAL 47 N -2.35 0.08 -0.28 2.92 1.01 0.33 0.86 120.40 122.97 1hjd s VAL 47 Ca 0.66 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1hjd s VAL 47 Cb -0.20 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.44 1hjd s VAL 47 CO 0.40 -0.34 -0.06 -0.31 0.00 0.00 0.00 175.10 174.78 1hjd s TYR 48 N -2.10 3.23 0.14 5.22 1.51 0.36 0.12 117.35 125.83 1hjd s TYR 48 Ca -0.08 -2.39 -0.31 0.00 -1.01 0.00 0.00 57.07 53.28 1hjd s TYR 48 Cb -0.03 -2.10 -0.08 0.00 -0.11 0.00 0.00 41.96 39.65 1hjd s TYR 48 CO -0.01 -0.88 1.34 0.08 -1.11 0.00 0.00 175.55 174.97 1hjd s VAL 49 N 1.11 3.36 -0.05 0.71 1.01 -1.09 -1.24 120.40 124.21 1hjd s VAL 49 Ca -0.04 1.02 0.07 0.00 0.00 0.00 0.00 61.98 63.03 1hjd s VAL 49 Cb -0.20 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 1hjd s VAL 49 CO -0.06 0.10 0.08 0.49 0.00 0.00 0.00 175.10 175.71 1hjd n PHE 50 N 3.50 0.00 -3.67 5.22 3.01 -0.09 -1.71 117.46 123.73 1hjd n PHE 50 Ca 0.09 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.40 1hjd n PHE 50 Cb 0.43 -0.30 -0.08 0.00 -0.01 0.00 0.00 39.48 39.53 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1hjd s SER 51 N -3.54 -0.39 -0.42 4.37 1.04 0.33 -4.70 113.70 110.39 1hjd s SER 51 Ca -0.03 0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.85 1hjd s SER 51 Cb 0.03 0.48 0.16 0.00 0.10 0.00 0.00 66.02 66.79 1hjd s SER 51 CO 0.31 -0.47 0.33 -0.54 0.98 0.00 0.00 173.24 173.85 1hjd s LYS 52 N -1.09 0.96 0.22 4.02 1.02 -1.25 0.13 119.74 123.76 1hjd s LYS 52 Ca -0.11 -2.06 -0.30 0.00 0.02 0.00 0.00 55.97 53.52 1hjd s LYS 52 Cb -0.03 -1.56 -0.09 0.00 -0.52 0.00 0.00 37.83 35.63 1hjd s LYS 52 CO 0.06 -1.35 1.16 -1.17 -0.92 0.00 0.00 175.35 173.14 1hjd s LEU 53 N 0.13 4.48 0.00 3.17 0.20 -1.26 -4.17 118.68 121.23 1hjd s LEU 53 Ca 0.29 2.25 0.00 0.00 0.69 0.00 0.00 54.13 57.37 1hjd s LEU 53 Cb -0.02 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.13 1hjd s LEU 53 CO -0.16 -0.29 0.00 0.29 -0.29 0.00 0.00 176.35 175.90 1hjd n LYS 54 N 2.01 0.99 -1.07 1.98 5.02 -1.24 -1.45 118.16 124.40 1hjd n LYS 54 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.29 1hjd n LYS 54 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.45 1hjd n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hjd n GLY 55 N 2.45 0.41 0.00 0.72 0.00 -1.26 -3.89 105.19 103.62 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 -2.13 0.00 0.00 0.00 173.32 171.19 1hjd n ARG 56 N -0.80 0.00 -0.35 1.61 0.63 -1.26 -4.97 116.66 111.51 1hjd n ARG 56 Ca -0.03 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.96 1hjd n ARG 56 Cb 0.35 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.35 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hjd n GLY 57 N 0.00 3.21 0.30 5.14 0.00 -1.25 -4.83 105.19 107.77 1hjd n GLY 57 Ca 0.00 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 0.16 0.40 0.00 1.61 2.43 -1.49 0.81 114.38 118.30 1hjd h ARG 58 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1hjd h ARG 58 Cb 1.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1hjd h ARG 58 CO 0.01 0.26 0.00 1.47 -1.51 0.00 0.00 179.97 180.20 1hjd n LEU 59 N -5.04 0.46 -3.98 3.80 -0.00 -1.26 -4.00 117.00 106.98 1hjd n LEU 59 Ca 0.19 0.65 -0.31 0.00 -0.00 0.00 0.00 56.01 56.54 1hjd n LEU 59 Cb 0.56 -0.64 -0.12 0.00 -0.00 0.00 0.00 43.42 43.22 1hjd n LEU 59 CO 0.14 -0.63 -0.07 -0.36 -0.00 0.00 0.00 177.39 176.47 1hjd s PHE 60 N -3.31 3.35 0.19 1.47 0.40 0.28 -1.45 117.98 118.91 1hjd s PHE 60 Ca 0.02 -3.10 -0.23 0.00 -0.60 0.00 0.00 56.93 53.02 1hjd s PHE 60 Cb 0.07 -2.91 -0.08 0.00 0.51 0.00 0.00 43.02 40.61 1hjd s PHE 60 CO 0.27 -0.72 0.75 -1.58 0.70 0.00 0.00 175.22 174.63 1hjd s TRP 61 N -0.54 3.78 -0.17 0.36 0.52 0.27 -4.44 118.94 118.72 1hjd s TRP 61 Ca 0.19 1.51 -0.19 0.00 0.02 0.00 0.00 56.10 57.64 1hjd s TRP 61 Cb -0.20 -2.69 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 1hjd s TRP 61 CO -0.05 0.43 0.52 0.20 0.02 0.00 0.00 176.95 178.08 1hjd s GLY 62 N -1.38 2.19 0.00 0.98 0.00 0.36 0.44 107.32 109.91 1hjd s GLY 62 Ca 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1hjd s GLY 62 CO 0.23 1.01 0.00 0.61 0.00 0.00 0.00 173.10 174.96 1hjd n GLY 63 N 3.66 3.39 3.53 0.20 0.00 0.15 -0.51 105.19 115.61 1hjd n GLY 63 Ca -0.05 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1hjd n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hjd s SER 64 N 1.84 -0.78 0.50 1.61 1.04 -0.37 0.89 113.70 118.43 1hjd s SER 64 Ca 0.00 1.31 -0.20 0.00 0.48 0.00 0.00 55.95 57.55 1hjd s SER 64 Cb 0.00 1.22 -0.08 0.00 0.10 0.00 0.00 66.02 67.26 1hjd s SER 64 CO 0.00 -0.22 1.05 0.68 0.98 0.00 0.00 173.24 175.72 1hjd s VAL 65 N 1.31 3.76 1.02 5.02 -7.23 -1.26 0.14 120.40 123.16 1hjd s VAL 65 Ca -0.08 1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 61.03 1hjd s VAL 65 Cb -0.06 -3.43 0.15 0.00 0.56 0.00 0.00 36.38 33.60 1hjd s VAL 65 CO -0.14 -0.27 0.79 0.00 -0.31 0.00 0.00 175.10 175.17 1hjd n GLN 66 N -1.11 -1.09 -3.21 4.82 10.64 0.25 -4.81 117.38 122.86 1hjd n GLN 66 Ca 0.09 -0.27 -0.24 0.00 -1.83 0.00 0.00 57.00 54.75 1hjd n GLN 66 Cb 0.52 -2.11 -0.07 0.00 -0.86 0.00 0.00 30.24 27.73 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 0.99 3.14 2.30 2.61 0.00 -1.26 -4.93 105.19 108.03 1hjd n GLY 67 Ca 0.07 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 1hjd n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hjd n ASP 68 N 1.25 6.59 -3.87 1.61 9.92 -1.26 -4.82 116.55 125.97 1hjd n ASP 68 Ca 0.22 -3.74 -0.30 0.00 -0.53 0.00 0.00 54.79 50.44 1hjd n ASP 68 Cb 0.53 -0.94 -0.15 0.00 -0.64 0.00 0.00 41.12 39.92 1hjd n ASP 68 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1hjd s TYR 69 N -3.68 2.71 -0.13 1.24 6.14 -1.26 -5.09 117.35 117.28 1hjd s TYR 69 Ca 0.63 -2.47 -0.29 0.00 0.64 0.00 0.00 57.07 55.57 1hjd s TYR 69 Cb 0.50 -2.33 -0.04 0.00 0.42 0.00 0.00 41.96 40.50 1hjd s TYR 69 CO 0.02 -0.88 1.70 0.71 0.64 0.00 0.00 175.55 177.74 1hjd s TYR 70 N 0.99 1.93 0.00 4.97 2.02 -1.26 -4.64 117.35 121.36 1hjd s TYR 70 Ca 0.12 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.15 1hjd s TYR 70 Cb -0.20 -3.96 0.00 0.00 -0.40 0.00 0.00 41.96 37.40 1hjd s TYR 70 CO -0.13 -3.59 0.00 0.41 -1.57 0.00 0.00 175.55 170.67 1hjd n GLY 71 N 4.50 -0.97 1.41 0.71 0.00 -1.26 -5.00 105.19 104.57 1hjd n GLY 71 Ca 0.19 0.34 -0.01 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 -2.16 -4.71 1.61 -0.08 -1.26 -5.02 116.55 104.93 1hjd n ASP 72 Ca 0.00 -0.04 -0.35 0.00 -1.51 0.00 0.00 54.79 52.89 1hjd n ASP 72 Cb 0.00 -0.80 0.11 0.00 2.34 0.00 0.00 41.12 42.77 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1hjd s LEU 73 N -2.76 3.29 0.00 -2.67 1.43 -1.26 -4.99 118.68 111.73 1hjd s LEU 73 Ca 0.02 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 1hjd s LEU 73 Cb -0.00 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.62 1hjd s LEU 73 CO 0.05 -2.46 0.00 0.00 0.23 0.00 0.00 176.35 174.17 1hjd n ALA 74 N -2.81 0.00 -1.56 4.21 0.00 -1.26 -5.16 120.51 113.92 1hjd n ALA 74 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 1hjd n ALA 74 Cb 0.50 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 2.29 -0.12 0.00 0.00 -1.26 -5.04 121.76 117.63 1hjd s ALA 75 Ca 0.00 1.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 1hjd s ALA 75 Cb 0.00 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.68 1hjd s ALA 75 CO 0.00 -1.63 0.28 1.03 0.00 0.00 0.00 175.76 175.44 1hjd s ARG 76 N -3.62 0.24 0.35 0.00 0.52 -1.26 -5.14 118.95 110.04 1hjd s ARG 76 Ca 0.78 0.60 -0.27 0.00 -0.52 0.00 0.00 55.73 56.31 1hjd s ARG 76 Cb -0.32 -0.09 -0.09 0.00 0.52 0.00 0.00 34.95 34.96 1hjd s ARG 76 CO 0.41 -0.17 1.20 -0.51 0.02 0.00 0.00 175.30 176.25 1hjd s LEU 77 N 1.35 4.36 0.25 2.53 1.02 -1.26 -4.54 118.68 122.39 1hjd s LEU 77 Ca -0.09 2.44 0.01 0.00 0.02 0.00 0.00 54.13 56.51 1hjd s LEU 77 Cb -0.10 -3.80 -0.03 0.00 0.02 0.00 0.00 46.19 42.28 1hjd s LEU 77 CO -0.10 -0.50 0.23 -0.83 0.02 0.00 0.00 176.35 175.17 1hjd s GLY 78 N -0.86 1.66 -0.16 -3.19 0.00 0.26 -4.95 107.32 100.07 1hjd s GLY 78 Ca 0.51 -1.74 0.01 0.00 0.00 0.00 0.00 44.72 43.50 1hjd s GLY 78 CO 0.44 -1.34 -0.19 -0.19 0.00 0.00 0.00 173.10 171.82 1hjd s TYR 79 N -3.85 2.75 0.05 1.90 1.51 -1.26 0.32 117.35 118.77 1hjd s TYR 79 Ca 0.38 -1.37 -0.26 0.00 -1.01 0.00 0.00 57.07 54.80 1hjd s TYR 79 Cb 0.04 -1.89 0.07 0.00 -0.11 0.00 0.00 41.96 40.07 1hjd s TYR 79 CO 0.17 -0.66 0.61 -0.59 -1.11 0.00 0.00 175.55 173.97 1hjd s PHE 80 N 1.04 -0.55 0.01 2.71 -0.12 0.17 -4.81 117.98 116.43 1hjd s PHE 80 Ca -0.01 0.66 -0.30 0.00 -0.05 0.00 0.00 56.93 57.23 1hjd s PHE 80 Cb -0.14 0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 42.62 1hjd s PHE 80 CO -0.06 -0.71 1.78 -1.25 -0.05 0.00 0.00 175.22 174.93 1hjd s PRO 81 N -2.47 4.17 0.52 1.99 0.04 -0.53 -0.56 135.00 138.16 1hjd s PRO 81 Ca -0.05 2.39 0.26 0.00 0.04 0.00 0.00 61.00 63.64 1hjd s PRO 81 Cb -0.01 -3.97 1.41 0.00 0.04 0.00 0.00 34.50 31.98 1hjd s PRO 81 CO -0.02 -0.87 2.07 0.66 0.04 0.00 0.00 177.00 178.89 1hjd h SER 82 N 9.69 0.00 -0.92 6.66 4.64 -1.87 -2.79 113.55 128.96 1hjd h SER 82 Ca -0.44 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.15 1hjd h SER 82 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 1hjd h SER 82 CO 0.94 0.12 0.80 -1.28 -0.87 0.00 0.00 176.83 176.54 1hjd h SER 83 N 0.00 0.00 0.77 4.97 0.87 -1.92 0.68 113.55 118.91 1hjd h SER 83 Ca -0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 1hjd h SER 83 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1hjd h SER 83 CO 0.02 0.00 -0.94 -0.29 -0.53 0.00 0.00 176.83 175.09 1hjd h ILE 84 N 0.00 1.58 -3.13 2.23 6.09 -1.90 -3.45 117.51 118.93 1hjd h ILE 84 Ca 0.44 -2.95 -0.65 0.00 -1.37 0.00 0.00 64.86 60.33 1hjd h ILE 84 Cb 2.03 2.64 -0.09 0.00 0.47 0.00 0.00 36.82 41.87 1hjd h ILE 84 CO -0.00 0.85 -0.58 0.68 -3.07 0.00 0.00 178.15 176.02 1hjd s VAL 85 N -2.98 4.68 -0.20 2.19 -7.23 0.24 -0.14 120.40 116.95 1hjd s VAL 85 Ca -0.01 -0.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1hjd s VAL 85 Cb 0.10 -3.19 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 1hjd s VAL 85 CO 0.82 0.25 0.03 -0.13 -0.31 0.00 0.00 175.10 175.76 1hjd s ARG 86 N -2.05 3.74 -0.30 4.82 0.52 0.38 -4.82 118.95 121.23 1hjd s ARG 86 Ca 0.26 -0.46 -0.29 0.00 -0.52 0.00 0.00 55.73 54.72 1hjd s ARG 86 Cb -0.12 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1hjd s ARG 86 CO 0.18 0.05 1.27 -1.21 0.02 0.00 0.00 175.30 175.61 1hjd s GLU 87 N 0.93 3.94 -0.27 3.54 2.02 -1.26 -0.45 118.70 127.16 1hjd s GLU 87 Ca 0.03 1.24 -0.14 0.00 0.02 0.00 0.00 54.97 56.11 1hjd s GLU 87 Cb -0.14 -3.86 -0.11 0.00 0.10 0.00 0.00 34.13 30.12 1hjd s GLU 87 CO 0.02 -1.08 -0.35 -3.47 0.02 0.00 0.00 175.26 170.40 1hjd n ASP 88 N 7.49 1.93 -4.79 -0.19 -0.08 -0.92 -4.95 116.55 115.04 1hjd n ASP 88 Ca 0.14 0.33 -0.31 0.00 -1.51 0.00 0.00 54.79 53.45 1hjd n ASP 88 Cb 0.47 -0.80 -0.06 0.00 2.34 0.00 0.00 41.12 43.06 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 -2.53 2.99 0.03 -0.67 0.74 -1.23 -4.99 119.66 114.00 1hjd s GLN 89 Ca -0.38 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 54.43 1hjd s GLN 89 Cb 0.14 -2.79 -0.02 0.00 1.10 0.00 0.00 33.01 31.44 1hjd s GLN 89 CO 0.48 0.59 -0.05 0.95 -0.55 0.00 0.00 175.29 176.70 1hjd s THR 90 N -1.36 0.32 0.00 -0.34 -4.23 -1.26 0.90 115.64 109.66 1hjd s THR 90 Ca 0.29 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 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 0.21 -0.42 0.91 -0.11 -0.54 0.00 0.00 174.62 174.67 1hjd n LEU 91 N 1.61 -0.41 -4.48 4.79 -0.00 -0.97 -4.91 117.00 112.62 1hjd n LEU 91 Ca -0.23 -1.70 -0.44 0.00 -0.00 0.00 0.00 56.01 53.64 1hjd n LEU 91 Cb 0.55 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.89 1hjd n LEU 91 CO 0.21 1.16 1.96 0.29 -0.00 0.00 0.00 177.39 181.01 1hjd n LYS 92 N 0.07 0.80 0.09 1.96 5.02 0.38 -4.70 118.16 121.80 1hjd n LYS 92 Ca -0.15 0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1hjd n LYS 92 Cb 0.72 -2.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.22 1hjd n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1hjd h PRO 93 N 14.27 0.00 -3.37 1.97 0.13 -1.81 -3.48 132.00 139.71 1hjd h PRO 93 Ca -0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 1hjd h PRO 93 Cb 1.31 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 1hjd h PRO 93 CO 1.14 0.24 -0.01 0.20 -0.23 0.00 0.00 178.00 179.35 1hjd s GLY 94 N -4.55 -0.02 -0.37 1.56 0.00 -1.26 -4.85 107.32 97.83 1hjd s GLY 94 Ca 0.00 -0.30 0.13 0.00 0.00 0.00 0.00 44.72 44.55 1hjd s GLY 94 CO 0.78 -0.33 1.18 0.58 0.00 0.00 0.00 173.10 175.31 1hjd n LYS 95 N -0.33 1.17 -3.25 2.90 2.85 -0.51 -3.71 118.16 117.28 1hjd n LYS 95 Ca -0.10 -2.44 -0.39 0.00 -1.05 0.00 0.00 58.31 54.34 1hjd n LYS 95 Cb 0.62 -0.57 -0.06 0.00 -0.65 0.00 0.00 35.03 34.38 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 -1.22 4.76 0.54 0.58 1.01 0.37 -4.66 120.40 121.79 1hjd s VAL 96 Ca 0.24 1.23 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 1hjd s VAL 96 Cb 0.42 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1hjd s VAL 96 CO -0.03 0.53 1.10 -0.62 0.00 0.00 0.00 175.10 176.07 1hjd s ASP 97 N -0.95 5.85 -0.23 3.32 -1.08 -1.26 1.00 116.67 123.31 1hjd s ASP 97 Ca 0.29 2.06 -0.03 0.00 -0.52 0.00 0.00 52.55 54.35 1hjd s ASP 97 Cb -0.19 -2.57 0.10 0.00 -1.46 0.00 0.00 42.92 38.80 1hjd s ASP 97 CO 0.19 -1.13 0.23 -0.69 0.52 0.00 0.00 175.17 174.29 1hjd s VAL 98 N -1.94 -0.32 -0.32 1.11 1.01 0.44 -4.84 120.40 115.54 1hjd s VAL 98 Ca 0.70 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1hjd s VAL 98 Cb -0.21 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1hjd s VAL 98 CO 0.27 -0.32 1.50 -1.59 0.00 0.00 0.00 175.10 174.96 1hjd s LYS 99 N 2.31 3.69 0.71 2.72 -2.85 -1.26 -1.47 119.74 123.59 1hjd s LYS 99 Ca 0.08 1.29 -0.11 0.00 -1.00 0.00 0.00 55.97 56.22 1hjd s LYS 99 Cb -0.15 -4.02 0.02 0.00 -2.06 0.00 0.00 37.83 31.62 1hjd s LYS 99 CO -0.19 -1.42 1.09 -0.08 0.10 0.00 0.00 175.35 174.84 1hjd s THR 100 N 5.31 3.56 0.67 3.79 -1.32 0.38 -4.97 115.64 123.08 1hjd s THR 100 Ca 0.66 0.51 0.02 0.00 -1.21 0.00 0.00 61.69 61.67 1hjd s THR 100 Cb -0.19 -3.45 0.11 0.00 -1.51 0.00 0.00 72.50 67.47 1hjd s THR 100 CO 0.29 -0.66 0.93 -0.62 -2.21 0.00 0.00 174.62 172.35 1hjd s ASP 101 N -4.23 4.58 0.30 8.08 -1.08 -1.26 -4.53 116.67 118.52 1hjd s ASP 101 Ca 0.58 -0.51 0.16 0.00 -0.52 0.00 0.00 52.55 52.26 1hjd s ASP 101 Cb -0.12 0.07 0.29 0.00 -1.46 0.00 0.00 42.92 41.70 1hjd s ASP 101 CO 0.53 -1.70 1.54 0.11 0.52 0.00 0.00 175.17 176.17 1hjd h LYS 102 N -0.31 0.00 -0.22 4.34 1.57 -1.98 -3.21 116.57 116.76 1hjd h LYS 102 Ca -0.34 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1hjd h LYS 102 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1hjd h LYS 102 CO 0.40 0.51 0.41 -1.49 -0.57 0.00 0.00 179.45 178.71 1hjd h TRP 103 N 0.00 0.00 -0.64 -1.35 4.06 -2.05 -1.66 115.95 114.30 1hjd h TRP 103 Ca -0.01 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.06 1hjd h TRP 103 Cb 1.23 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.31 1hjd h TRP 103 CO 0.00 0.00 0.20 0.22 -3.56 0.00 0.00 178.44 175.30 1hjd h ASP 104 N 0.00 0.15 -0.94 -3.49 1.82 -1.97 -3.47 116.42 108.51 1hjd h ASP 104 Ca 0.11 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1hjd h ASP 104 Cb 0.93 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.04 1hjd h ASP 104 CO -0.00 0.08 0.00 0.49 -1.61 0.00 0.00 179.24 178.19 1hjd n PHE 105 N -5.05 -1.94 -3.57 0.28 3.72 -0.63 -4.87 117.46 105.39 1hjd n PHE 105 Ca 0.10 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.40 1hjd n PHE 105 Cb 0.33 0.29 -0.10 0.00 -0.94 0.00 0.00 39.48 39.06 1hjd n PHE 105 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1hjd s TYR 106 N 0.00 -0.73 -0.01 1.38 6.14 -1.26 -5.06 117.35 117.80 1hjd s TYR 106 Ca 0.00 1.22 -0.02 0.00 0.64 0.00 0.00 57.07 58.91 1hjd s TYR 106 Cb 0.00 0.16 0.01 0.00 0.42 0.00 0.00 41.96 42.55 1hjd s TYR 106 CO 0.00 -0.53 0.04 0.00 0.64 0.00 0.00 175.55 175.70