#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 6.41 -0.00 0.00 1.01 -1.26 -4.27 116.67 118.56 1hjd s ASP 9 Ca 0.00 -0.02 -0.15 0.00 0.71 0.00 0.00 52.55 53.09 1hjd s ASP 9 Cb 0.00 -2.35 0.02 0.00 1.01 0.00 0.00 42.92 41.61 1hjd s ASP 9 CO 0.00 -0.74 0.32 0.00 0.21 0.00 0.00 175.17 174.96 1hjd s ARG 10 N 2.93 0.72 -0.06 8.23 3.03 -1.26 -0.16 118.95 132.38 1hjd s ARG 10 Ca 0.26 -0.25 -0.13 0.00 2.03 0.00 0.00 55.73 57.64 1hjd s ARG 10 Cb -0.14 0.32 0.03 0.00 -1.03 0.00 0.00 34.95 34.13 1hjd s ARG 10 CO 0.18 -0.21 0.31 -1.59 -1.13 0.00 0.00 175.30 172.86 1hjd s LYS 11 N -1.62 0.54 0.15 3.89 -2.85 -0.04 -2.29 119.74 117.52 1hjd s LYS 11 Ca -0.11 0.07 -0.18 0.00 -1.00 0.00 0.00 55.97 54.75 1hjd s LYS 11 Cb -0.04 0.24 -0.07 0.00 -2.06 0.00 0.00 37.83 35.90 1hjd s LYS 11 CO 0.03 -0.12 0.62 -0.51 0.10 0.00 0.00 175.35 175.47 1hjd s LEU 12 N -0.70 4.40 0.19 2.77 1.02 -1.26 0.19 118.68 125.30 1hjd s LEU 12 Ca -0.08 1.26 0.03 0.00 0.02 0.00 0.00 54.13 55.36 1hjd s LEU 12 Cb -0.04 -3.27 -0.05 0.00 0.02 0.00 0.00 46.19 42.85 1hjd s LEU 12 CO 0.03 0.13 -0.01 0.00 0.02 0.00 0.00 176.35 176.51 1hjd n ALA 14 N -0.31 5.37 -0.97 0.00 0.00 -1.25 0.14 120.51 123.50 1hjd n ALA 14 Ca -0.06 -2.44 0.04 0.00 0.00 0.00 0.00 53.44 50.98 1hjd n ALA 14 Cb 0.63 -3.12 -0.01 0.00 0.00 0.00 0.00 19.45 16.95 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 4.20 -5.77 0.27 0.00 -0.08 -1.26 -0.97 116.55 112.94 1hjd n ASP 15 Ca 0.53 0.31 0.18 0.00 -1.51 0.00 0.00 54.79 54.31 1hjd n ASP 15 Cb 0.17 -0.88 0.92 0.00 2.34 0.00 0.00 41.12 43.67 1hjd n ASP 15 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1hjd h GLN 16 N 0.00 0.00 0.40 -0.67 1.08 -1.97 -2.76 115.11 111.19 1hjd h GLN 16 Ca 0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1hjd h GLN 16 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1hjd h GLN 16 CO 0.00 0.00 -0.19 1.49 -0.95 0.00 0.00 178.83 179.18 1hjd h GLU 17 N 0.00 -0.51 -2.45 1.46 4.81 -1.97 -3.47 114.58 112.46 1hjd h GLU 17 Ca 0.05 0.04 -0.41 0.00 -0.13 0.00 0.00 59.36 58.91 1hjd h GLU 17 Cb 0.45 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1hjd h GLU 17 CO -0.00 -0.34 -0.47 0.00 -0.73 0.00 0.00 179.01 177.46 1hjd n SER 19 N -1.78 0.00 -4.73 0.00 7.64 -1.26 -4.85 113.62 108.64 1hjd n SER 19 Ca -0.23 0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.30 1hjd n SER 19 Cb 0.68 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1hjd n SER 19 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1hjd s HIS 20 N -0.12 2.98 0.89 1.43 3.76 -1.26 -4.99 115.29 117.97 1hjd s HIS 20 Ca 0.00 0.76 -0.12 0.00 -0.15 0.00 0.00 55.06 55.55 1hjd s HIS 20 Cb 0.00 -3.94 0.19 0.00 1.11 0.00 0.00 32.58 29.95 1hjd s HIS 20 CO 0.00 -3.28 0.44 -2.30 -0.85 0.00 0.00 174.74 168.75 1hjd n PRO 21 N 3.10 -2.04 -0.01 8.40 -0.02 -1.26 -4.70 135.00 138.46 1hjd n PRO 21 Ca 0.11 -0.74 -0.17 0.00 -2.02 0.00 0.00 63.50 60.68 1hjd n PRO 21 Cb 0.39 -1.24 -0.14 0.00 -0.02 0.00 0.00 33.50 32.49 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 -2.76 1.64 -1.20 4.25 6.09 -1.17 -3.36 117.51 121.00 1hjd h ILE 22 Ca -0.20 -2.39 0.00 0.00 -1.37 0.00 0.00 64.86 60.90 1hjd h ILE 22 Cb 0.67 3.24 0.00 0.00 0.47 0.00 0.00 36.82 41.21 1hjd h ILE 22 CO 0.12 0.65 0.00 -1.20 -3.07 0.00 0.00 178.15 174.65 1hjd n SER 23 N -4.38 0.00 -3.87 2.19 7.64 -1.22 0.14 113.62 114.12 1hjd n SER 23 Ca -0.12 -0.90 -0.26 0.00 1.01 0.00 0.00 58.87 58.60 1hjd n SER 23 Cb 0.64 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.67 1hjd n SER 23 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1hjd s MET 24 N -1.71 1.30 -0.02 1.43 1.75 0.14 -2.96 119.30 119.22 1hjd s MET 24 Ca 0.00 -0.20 0.05 0.00 -1.25 0.00 0.00 55.69 54.29 1hjd s MET 24 Cb 0.00 -1.50 -0.01 0.00 2.84 0.00 0.00 34.83 36.16 1hjd s MET 24 CO 0.00 -0.30 -0.18 0.00 -0.65 0.00 0.00 175.02 173.89 1hjd s ALA 25 N 1.76 1.54 0.05 4.11 0.00 0.27 -1.20 121.76 128.30 1hjd s ALA 25 Ca 0.05 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1hjd s ALA 25 Cb -0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1hjd s ALA 25 CO -0.08 0.35 0.20 0.08 0.00 0.00 0.00 175.76 176.32 1hjd s VAL 26 N -0.30 5.38 0.21 0.00 1.01 0.22 0.12 120.40 127.04 1hjd s VAL 26 Ca 0.04 -0.37 -0.32 0.00 0.00 0.00 0.00 61.98 61.33 1hjd s VAL 26 Cb -0.08 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 1hjd s VAL 26 CO 0.00 0.16 1.73 0.00 0.00 0.00 0.00 175.10 176.99 1hjd s ALA 27 N -1.48 3.94 -2.20 5.51 0.00 0.12 0.17 121.76 127.82 1hjd s ALA 27 Ca 0.34 1.59 0.20 0.00 0.00 0.00 0.00 51.96 54.09 1hjd s ALA 27 Cb -0.13 -3.70 0.53 0.00 0.00 0.00 0.00 23.12 19.82 1hjd s ALA 27 CO 0.27 -0.93 1.44 -0.11 0.00 0.00 0.00 175.76 176.43 1hjd n LEU 28 N 4.00 2.84 0.00 0.00 0.00 0.29 -4.08 117.00 120.06 1hjd n LEU 28 Ca 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 56.01 54.85 1hjd n LEU 28 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 43.42 43.49 1hjd n LEU 28 CO 0.64 0.66 0.00 0.00 0.00 0.00 0.00 177.39 178.69 1hjd n GLN 29 N 1.06 0.00 -1.99 1.96 6.02 -1.23 -4.98 117.38 118.22 1hjd n GLN 29 Ca 0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.77 1hjd n GLN 29 Cb 0.48 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.73 1hjd n GLN 29 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1hjd s ASP 30 N 0.00 6.41 -0.44 1.08 2.15 -1.26 -4.14 116.67 120.48 1hjd s ASP 30 Ca 0.00 2.78 0.06 0.00 0.43 0.00 0.00 52.55 55.82 1hjd s ASP 30 Cb 0.00 -2.65 0.18 0.00 -0.30 0.00 0.00 42.92 40.16 1hjd s ASP 30 CO 0.00 -0.79 0.69 -0.47 -0.17 0.00 0.00 175.17 174.43 1hjd s TYR 31 N -1.19 -1.60 -0.65 -5.34 5.04 0.31 -4.93 117.35 109.00 1hjd s TYR 31 Ca 0.54 -0.03 -0.26 0.00 -2.44 0.00 0.00 57.07 54.88 1hjd s TYR 31 Cb -0.41 0.30 -0.06 0.00 0.35 0.00 0.00 41.96 42.14 1hjd s TYR 31 CO 0.54 -1.14 2.14 0.00 -1.34 0.00 0.00 175.55 175.74 1hjd s MET 32 N 1.52 2.29 -0.94 4.97 0.23 -1.26 -1.50 119.30 124.60 1hjd s MET 32 Ca 0.21 0.71 -0.29 0.00 -1.03 0.00 0.00 55.69 55.29 1hjd s MET 32 Cb -0.02 -4.62 -0.21 0.00 -1.53 0.00 0.00 34.83 28.45 1hjd s MET 32 CO -0.07 -3.27 2.54 0.00 -2.03 0.00 0.00 175.02 172.19 1hjd n ALA 33 N 14.88 0.29 0.67 3.16 0.00 -1.26 -4.75 120.51 133.50 1hjd n ALA 33 Ca 0.33 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.51 1hjd n ALA 33 Cb 0.51 -2.15 0.11 0.00 0.00 0.00 0.00 19.45 17.92 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 7.96 1.95 -3.46 0.00 -0.04 -1.26 -4.34 135.00 135.81 1hjd n PRO 34 Ca 0.62 -0.84 -0.43 0.00 -0.04 0.00 0.00 63.50 62.81 1hjd n PRO 34 Cb 0.03 -1.59 -0.05 0.00 -0.04 0.00 0.00 33.50 31.85 1hjd n PRO 34 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1hjd s ASP 35 N -0.39 6.20 0.00 3.54 2.15 -1.26 -4.87 116.67 122.03 1hjd s ASP 35 Ca 0.15 -2.60 0.00 0.00 0.43 0.00 0.00 52.55 50.53 1hjd s ASP 35 Cb 0.11 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 1hjd s ASP 35 CO 0.06 -0.55 0.00 0.00 -0.17 0.00 0.00 175.17 174.51 1hjd n ARG 37 N 0.00 0.00 -0.47 0.00 0.63 -1.26 -5.17 116.66 110.39 1hjd n ARG 37 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 1hjd n ARG 37 Cb 0.00 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.04 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1hjd n PHE 38 N 0.00 -3.37 -2.67 -0.14 3.72 -1.03 -4.94 117.46 109.02 1hjd n PHE 38 Ca 0.00 -0.49 -0.43 0.00 -0.05 0.00 0.00 57.45 56.48 1hjd n PHE 38 Cb 0.00 -0.59 -0.02 0.00 -0.94 0.00 0.00 39.48 37.93 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 3.98 0.93 4.37 2.96 -1.26 -4.70 118.68 124.95 1hjd s LEU 39 Ca 0.36 1.07 -0.12 0.00 -0.22 0.00 0.00 54.13 55.22 1hjd s LEU 39 Cb -0.04 -3.50 0.15 0.00 0.50 0.00 0.00 46.19 43.30 1hjd s LEU 39 CO 0.28 -0.81 1.14 0.28 -1.32 0.00 0.00 176.35 175.91 1hjd s THR 40 N 3.50 1.99 -0.02 3.68 -1.32 -1.26 -4.61 115.64 117.60 1hjd s THR 40 Ca 0.44 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.98 1hjd s THR 40 Cb -0.13 -2.72 -0.01 0.00 -1.51 0.00 0.00 72.50 68.12 1hjd s THR 40 CO 0.13 0.00 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.70 1hjd s ILE 41 N -3.25 1.67 -0.00 5.08 1.09 -0.56 -4.89 121.20 120.33 1hjd s ILE 41 Ca 0.64 -0.90 0.02 0.00 -1.10 0.00 0.00 60.65 59.32 1hjd s ILE 41 Cb -0.15 -1.39 -0.01 0.00 -1.06 0.00 0.00 42.46 39.85 1hjd s ILE 41 CO 0.54 0.47 -0.08 -2.28 -0.10 0.00 0.00 174.94 173.49 1hjd s HIS 42 N -0.43 0.70 0.86 3.97 2.46 -1.26 0.11 115.29 121.71 1hjd s HIS 42 Ca 0.06 -0.16 -0.16 0.00 0.47 0.00 0.00 55.06 55.27 1hjd s HIS 42 Cb -0.09 -0.45 -0.10 0.00 -0.13 0.00 0.00 32.58 31.81 1hjd s HIS 42 CO -0.00 -0.01 -0.27 0.54 -2.47 0.00 0.00 174.74 172.52 1hjd n ARG 43 N 2.76 -0.01 -4.27 2.88 5.12 -1.26 -2.57 116.66 119.30 1hjd n ARG 43 Ca -0.14 0.01 -0.35 0.00 -1.93 0.00 0.00 57.85 55.45 1hjd n ARG 43 Cb 0.57 -1.27 -0.06 0.00 -1.16 0.00 0.00 32.46 30.54 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 2.69 -0.32 2.75 -0.13 0.00 -1.26 -4.93 105.19 104.00 1hjd n GLY 44 Ca 0.03 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 0.71 0.77 1.61 0.74 -1.06 -4.98 119.66 110.40 1hjd s GLN 45 Ca 0.45 -0.39 -0.11 0.00 0.05 0.00 0.00 55.36 55.37 1hjd s GLN 45 Cb -0.25 -2.01 0.05 0.00 1.10 0.00 0.00 33.01 31.90 1hjd s GLN 45 CO 0.96 -0.60 1.09 0.08 -0.55 0.00 0.00 175.29 176.28 1hjd s VAL 46 N 1.85 3.34 0.07 1.34 1.01 -1.26 0.14 120.40 126.88 1hjd s VAL 46 Ca -0.00 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 1hjd s VAL 46 Cb -0.17 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1hjd s VAL 46 CO -0.08 -0.56 0.23 -0.69 0.00 0.00 0.00 175.10 174.00 1hjd s VAL 47 N -2.89 0.11 -0.25 2.92 1.01 0.33 0.19 120.40 121.81 1hjd s VAL 47 Ca 0.61 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1hjd s VAL 47 Cb -0.17 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.15 1hjd s VAL 47 CO 0.56 -0.52 -0.01 -0.31 0.00 0.00 0.00 175.10 174.82 1hjd s TYR 48 N -3.25 2.30 -0.40 5.22 2.02 0.35 -0.56 117.35 123.02 1hjd s TYR 48 Ca 0.00 -1.80 -0.29 0.00 -0.37 0.00 0.00 57.07 54.61 1hjd s TYR 48 Cb 0.02 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 1hjd s TYR 48 CO -0.08 -0.79 1.12 0.08 -1.57 0.00 0.00 175.55 174.31 1hjd s VAL 49 N 1.42 4.33 -0.02 0.71 1.01 -1.15 -1.28 120.40 125.42 1hjd s VAL 49 Ca -0.01 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1hjd s VAL 49 Cb -0.18 -4.51 -0.26 0.00 0.00 0.00 0.00 36.38 31.43 1hjd s VAL 49 CO -0.10 -0.77 0.76 -0.26 0.00 0.00 0.00 175.10 174.73 1hjd h PHE 50 N 8.74 0.32 -3.93 5.22 0.04 -1.22 0.02 116.94 126.13 1hjd h PHE 50 Ca -0.22 -0.23 -0.12 0.00 2.80 0.00 0.00 57.97 60.19 1hjd h PHE 50 Cb 1.06 -0.01 -0.17 0.00 2.20 0.00 0.00 35.95 39.03 1hjd h PHE 50 CO 0.91 1.33 -0.56 -1.12 -0.60 0.00 0.00 178.31 178.27 1hjd s SER 51 N -6.75 0.25 -0.43 2.17 0.01 0.31 -4.30 113.70 104.96 1hjd s SER 51 Ca -0.09 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 56.54 1hjd s SER 51 Cb 0.07 0.22 0.16 0.00 0.21 0.00 0.00 66.02 66.69 1hjd s SER 51 CO 0.83 -0.54 0.33 -1.59 0.41 0.00 0.00 173.24 172.69 1hjd s LYS 52 N -2.96 1.02 0.33 12.44 -2.85 -1.26 0.11 119.74 126.57 1hjd s LYS 52 Ca -0.02 -2.11 -0.29 0.00 -1.00 0.00 0.00 55.97 52.54 1hjd s LYS 52 Cb 0.01 -1.64 -0.11 0.00 -2.06 0.00 0.00 37.83 34.03 1hjd s LYS 52 CO -0.06 -1.34 1.56 -1.17 0.10 0.00 0.00 175.35 174.43 1hjd s LEU 53 N 0.07 4.33 0.00 2.77 0.20 -1.18 -4.02 118.68 120.85 1hjd s LEU 53 Ca 0.29 3.01 0.00 0.00 0.69 0.00 0.00 54.13 58.12 1hjd s LEU 53 Cb -0.02 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 1hjd s LEU 53 CO -0.16 -0.91 0.00 2.29 -0.29 0.00 0.00 176.35 177.28 1hjd n LYS 54 N 1.46 1.49 0.00 1.98 2.85 -0.97 -3.09 118.16 121.88 1hjd n LYS 54 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1hjd n LYS 54 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 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 2.19 1.55 0.10 2.58 0.00 -1.26 -3.71 105.19 106.63 1hjd n GLY 55 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 2.86 -2.70 1.61 0.00 -1.26 -4.85 116.66 112.32 1hjd n ARG 56 Ca 0.00 -0.37 -0.06 0.00 -0.00 0.00 0.00 57.85 57.42 1hjd n ARG 56 Cb 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 32.46 31.65 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 0.75 -0.85 0.18 5.14 0.00 -1.24 -5.03 105.19 104.14 1hjd n GLY 57 Ca 0.02 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 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 3.06 0.06 -0.08 1.61 2.43 -1.79 0.31 114.38 119.98 1hjd h ARG 58 Ca -0.21 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1hjd h ARG 58 Cb 1.15 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1hjd h ARG 58 CO 0.03 0.04 0.08 1.37 -1.51 0.00 0.00 179.97 179.99 1hjd h LEU 59 N 0.06 0.00 -7.25 3.80 8.10 -1.93 -3.36 115.31 114.73 1hjd h LEU 59 Ca 0.22 0.00 -0.46 0.00 0.11 0.00 0.00 57.88 57.75 1hjd h LEU 59 Cb 0.33 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.58 1hjd h LEU 59 CO -0.40 0.00 1.48 0.49 -4.11 0.00 0.00 178.44 175.90 1hjd n PHE 60 N -3.87 1.76 -2.91 0.17 3.01 0.10 -2.47 117.46 113.25 1hjd n PHE 60 Ca -0.01 -1.30 -0.42 0.00 1.01 0.00 0.00 57.45 56.73 1hjd n PHE 60 Cb 0.18 -1.97 -0.04 0.00 -0.01 0.00 0.00 39.48 37.64 1hjd n PHE 60 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1hjd s TRP 61 N 8.78 3.34 -0.34 1.38 0.52 -0.64 -3.12 118.94 128.85 1hjd s TRP 61 Ca 0.66 1.14 -0.23 0.00 0.02 0.00 0.00 56.10 57.69 1hjd s TRP 61 Cb 0.07 -3.02 0.00 0.00 -1.15 0.00 0.00 33.47 29.38 1hjd s TRP 61 CO 0.17 -0.35 0.76 0.20 0.02 0.00 0.00 176.95 177.74 1hjd s GLY 62 N 1.30 1.69 0.00 0.98 0.00 0.29 -1.51 107.32 110.07 1hjd s GLY 62 Ca 0.35 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1hjd s GLY 62 CO 0.09 1.70 0.00 0.61 0.00 0.00 0.00 173.10 175.50 1hjd n GLY 63 N 4.44 3.94 3.45 0.20 0.00 0.46 -0.53 105.19 117.15 1hjd n GLY 63 Ca 0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 1.60 -0.54 0.42 1.61 0.15 -0.40 -1.08 113.70 115.46 1hjd s SER 64 Ca 0.00 0.49 -0.23 0.00 0.70 0.00 0.00 55.95 56.91 1hjd s SER 64 Cb 0.00 0.49 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 1hjd s SER 64 CO 0.00 -0.61 1.06 0.68 1.20 0.00 0.00 173.24 175.56 1hjd s VAL 65 N -1.51 3.69 0.96 4.45 -7.23 -1.26 0.13 120.40 119.62 1hjd s VAL 65 Ca -0.10 1.24 -0.13 0.00 -1.81 0.00 0.00 61.98 61.18 1hjd s VAL 65 Cb -0.01 -3.61 0.04 0.00 0.56 0.00 0.00 36.38 33.36 1hjd s VAL 65 CO 0.06 -0.04 0.42 0.00 -0.31 0.00 0.00 175.10 175.23 1hjd n GLN 66 N -0.28 -0.35 -1.30 4.82 10.64 0.13 -4.80 117.38 126.25 1hjd n GLN 66 Ca 0.06 -0.06 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1hjd n GLN 66 Cb 0.50 -1.87 0.06 0.00 -0.86 0.00 0.00 30.24 28.07 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 1.47 0.21 2.05 2.61 0.00 -1.26 -4.94 105.19 105.32 1hjd n GLY 67 Ca 0.07 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1hjd n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hjd n ASP 68 N -3.06 -0.90 -2.05 1.61 2.03 -1.26 -5.07 116.55 107.85 1hjd n ASP 68 Ca 0.07 0.31 -0.01 0.00 0.52 0.00 0.00 54.79 55.68 1hjd n ASP 68 Cb 0.25 1.02 0.01 0.00 -0.72 0.00 0.00 41.12 41.68 1hjd n ASP 68 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1hjd n TYR 69 N -2.93 -0.81 -2.79 -0.67 4.01 -1.26 -5.08 117.16 107.63 1hjd n TYR 69 Ca 0.00 -0.52 -0.07 0.00 -0.16 0.00 0.00 57.90 57.15 1hjd n TYR 69 Cb 0.00 0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.29 1hjd n TYR 69 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1hjd n TYR 70 N -0.33 -3.41 -2.68 -0.72 4.02 -1.26 -4.91 117.16 107.88 1hjd n TYR 70 Ca -0.00 1.39 -0.43 0.00 -0.01 0.00 0.00 57.90 58.84 1hjd n TYR 70 Cb 0.26 -4.00 -0.03 0.00 -0.02 0.00 0.00 39.34 35.55 1hjd n TYR 70 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1hjd s GLY 71 N -2.47 1.42 -0.31 2.72 0.00 -1.26 -4.79 107.32 102.63 1hjd s GLY 71 Ca 0.22 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.54 1hjd s GLY 71 CO 0.74 2.26 1.43 1.34 0.00 0.00 0.00 173.10 178.88 1hjd n ASP 72 N 7.38 -1.11 -2.27 1.64 2.03 -1.26 -5.10 116.55 117.85 1hjd n ASP 72 Ca 0.10 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.73 1hjd n ASP 72 Cb 0.48 1.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.95 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1hjd n LEU 73 N 0.50 -5.57 0.00 -2.67 0.00 -1.26 -5.06 117.00 102.95 1hjd n LEU 73 Ca -0.07 2.64 0.00 0.00 0.00 0.00 0.00 56.01 58.58 1hjd n LEU 73 Cb 0.76 -2.99 0.00 0.00 0.00 0.00 0.00 43.42 41.19 1hjd n LEU 73 CO -0.12 -2.60 0.00 0.00 0.00 0.00 0.00 177.39 174.68 1hjd n ALA 74 N 1.89 0.00 -3.15 1.96 0.00 -1.26 -5.14 120.51 114.81 1hjd n ALA 74 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1hjd n ALA 74 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.79 -0.28 0.00 0.00 -1.26 -5.08 121.76 112.35 1hjd s ALA 75 Ca 0.00 1.64 -0.06 0.00 0.00 0.00 0.00 51.96 53.54 1hjd s ALA 75 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1hjd s ALA 75 CO 0.00 -1.41 0.06 1.03 0.00 0.00 0.00 175.76 175.44 1hjd s ARG 76 N 2.90 3.19 -0.26 0.00 0.52 -1.26 -5.07 118.95 118.97 1hjd s ARG 76 Ca 0.12 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 1hjd s ARG 76 Cb -0.13 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 32.03 1hjd s ARG 76 CO -0.17 -0.38 1.14 -0.51 0.02 0.00 0.00 175.30 175.40 1hjd s LEU 77 N 1.51 4.03 0.32 2.53 1.43 -1.26 -4.77 118.68 122.46 1hjd s LEU 77 Ca 0.03 1.31 0.10 0.00 -1.03 0.00 0.00 54.13 54.54 1hjd s LEU 77 Cb -0.17 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 1hjd s LEU 77 CO 0.02 -0.82 -0.13 -0.83 0.23 0.00 0.00 176.35 174.81 1hjd s GLY 78 N 1.76 2.08 -0.18 -3.19 0.00 -0.24 -4.86 107.32 102.69 1hjd s GLY 78 Ca 0.49 -2.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 1hjd s GLY 78 CO 0.14 -2.01 -0.12 -0.19 0.00 0.00 0.00 173.10 170.92 1hjd s TYR 79 N -2.58 2.85 0.20 1.90 1.51 -1.26 -0.40 117.35 119.57 1hjd s TYR 79 Ca 0.32 -1.01 -0.21 0.00 -1.01 0.00 0.00 57.07 55.15 1hjd s TYR 79 Cb -0.00 -1.96 0.05 0.00 -0.11 0.00 0.00 41.96 39.93 1hjd s TYR 79 CO 0.16 -0.50 0.62 -0.59 -1.11 0.00 0.00 175.55 174.13 1hjd s PHE 80 N 1.03 -0.36 0.19 2.71 -0.71 -0.57 -4.76 117.98 115.50 1hjd s PHE 80 Ca -0.01 0.05 -0.32 0.00 -1.04 0.00 0.00 56.93 55.61 1hjd s PHE 80 Cb -0.15 0.58 -0.15 0.00 -1.21 0.00 0.00 43.02 42.09 1hjd s PHE 80 CO -0.02 -0.98 1.21 -2.30 -1.34 0.00 0.00 175.22 171.79 1hjd n PRO 81 N -0.40 1.33 0.15 1.99 -0.02 -1.03 -1.63 135.00 135.40 1hjd n PRO 81 Ca -0.12 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1hjd n PRO 81 Cb 0.63 -2.00 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 1hjd n PRO 81 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1hjd h SER 82 N 3.54 0.00 -1.15 2.55 0.87 -1.90 -3.31 113.55 114.14 1hjd h SER 82 Ca -0.44 0.00 0.33 0.00 -1.23 0.00 0.00 61.79 60.45 1hjd h SER 82 Cb 1.33 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.24 1hjd h SER 82 CO 0.71 0.27 0.81 0.28 -0.53 0.00 0.00 176.83 178.37 1hjd h SER 83 N 0.00 0.07 0.56 6.23 0.02 -1.90 0.81 113.55 119.34 1hjd h SER 83 Ca -0.02 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1hjd h SER 83 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1hjd h SER 83 CO 0.03 0.01 -0.39 -0.29 -1.14 0.00 0.00 176.83 175.05 1hjd h ILE 84 N 0.06 1.11 -5.81 3.27 6.09 -1.97 -3.45 117.51 116.81 1hjd h ILE 84 Ca 0.56 -1.43 -0.44 0.00 -1.37 0.00 0.00 64.86 62.19 1hjd h ILE 84 Cb 2.12 1.81 -0.01 0.00 0.47 0.00 0.00 36.82 41.22 1hjd h ILE 84 CO -0.05 0.38 -0.14 1.33 -3.07 0.00 0.00 178.15 176.60 1hjd n VAL 85 N -3.82 0.00 -3.65 2.19 0.24 0.28 0.11 118.33 113.68 1hjd n VAL 85 Ca -0.01 -1.69 -0.17 0.00 -2.04 0.00 0.00 64.34 60.43 1hjd n VAL 85 Cb 0.46 -0.35 -0.15 0.00 -1.47 0.00 0.00 33.84 32.33 1hjd n VAL 85 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1hjd s ARG 86 N -3.99 0.06 -0.00 7.34 3.00 0.44 -4.62 118.95 121.17 1hjd s ARG 86 Ca 0.37 0.56 -0.29 0.00 -1.00 0.00 0.00 55.73 55.37 1hjd s ARG 86 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 34.95 34.56 1hjd s ARG 86 CO 0.24 -0.33 0.95 -1.21 0.00 0.00 0.00 175.30 174.94 1hjd s GLU 87 N 2.31 4.55 0.00 5.12 2.02 -1.26 0.72 118.70 132.16 1hjd s GLU 87 Ca 0.03 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.38 1hjd s GLU 87 Cb -0.12 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1hjd s GLU 87 CO -0.07 -0.03 0.00 -3.47 0.02 0.00 0.00 175.26 171.72 1hjd n ASP 88 N 3.85 0.84 -4.24 -0.19 2.03 -0.34 -4.95 116.55 113.55 1hjd n ASP 88 Ca 0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.93 1hjd n ASP 88 Cb 0.51 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 1hjd n ASP 88 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1hjd s GLN 89 N -1.93 2.96 0.25 -0.67 2.00 -1.12 -4.99 119.66 116.16 1hjd s GLN 89 Ca 0.00 -2.18 -0.12 0.00 -2.00 0.00 0.00 55.36 51.06 1hjd s GLN 89 Cb 0.00 -4.11 -0.08 0.00 0.80 0.00 0.00 33.01 29.63 1hjd s GLN 89 CO 0.00 -1.24 0.61 0.95 -0.50 0.00 0.00 175.29 175.11 1hjd s THR 90 N 0.65 4.84 0.00 -0.34 -4.23 -1.26 0.23 115.64 115.53 1hjd s THR 90 Ca 0.12 0.66 0.05 0.00 -1.18 0.00 0.00 61.69 61.34 1hjd s THR 90 Cb -0.20 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.09 1hjd s THR 90 CO -0.04 -0.08 0.88 -0.11 -0.54 0.00 0.00 174.62 174.73 1hjd n LEU 91 N -0.12 0.01 -4.59 4.79 0.00 -1.05 -4.90 117.00 111.14 1hjd n LEU 91 Ca 0.01 -1.36 -0.42 0.00 0.00 0.00 0.00 56.01 54.25 1hjd n LEU 91 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.92 1hjd n LEU 91 CO 0.44 0.75 1.87 -0.75 0.00 0.00 0.00 177.39 179.69 1hjd s LYS 92 N 0.00 2.91 -0.03 1.96 2.20 0.38 -4.74 119.74 122.43 1hjd s LYS 92 Ca 0.06 1.85 -0.04 0.00 -0.36 0.00 0.00 55.97 57.49 1hjd s LYS 92 Cb 0.07 -4.41 -0.28 0.00 -1.51 0.00 0.00 37.83 31.70 1hjd s LYS 92 CO -0.03 -2.36 0.74 -1.00 -0.36 0.00 0.00 175.35 172.34 1hjd h PRO 93 N 15.95 0.26 -4.84 4.03 0.13 -1.84 -3.48 132.00 142.21 1hjd h PRO 93 Ca -0.37 -0.44 -0.31 0.00 -0.87 0.00 0.00 66.00 64.01 1hjd h PRO 93 Cb 1.24 0.17 -0.15 0.00 0.13 0.00 0.00 31.00 32.39 1hjd h PRO 93 CO 1.01 1.12 -0.65 0.20 -0.23 0.00 0.00 178.00 179.44 1hjd s GLY 94 N -5.08 1.34 -0.36 1.56 0.00 -1.26 -4.91 107.32 98.60 1hjd s GLY 94 Ca -0.12 -1.65 0.13 0.00 0.00 0.00 0.00 44.72 43.08 1hjd s GLY 94 CO 0.84 -1.55 1.19 0.58 0.00 0.00 0.00 173.10 174.16 1hjd n LYS 95 N -0.29 1.18 -3.28 2.90 2.85 -0.98 -3.75 118.16 116.78 1hjd n LYS 95 Ca -0.05 -2.44 -0.39 0.00 -1.05 0.00 0.00 58.31 54.39 1hjd n LYS 95 Cb 0.64 -0.56 -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 -1.25 4.83 0.51 0.58 1.01 0.12 -4.69 120.40 121.50 1hjd s VAL 96 Ca 0.24 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 1hjd s VAL 96 Cb 0.43 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 1hjd s VAL 96 CO -0.03 0.52 1.09 -0.62 0.00 0.00 0.00 175.10 176.05 1hjd s ASP 97 N -0.83 6.03 -0.23 3.32 -1.08 -1.26 0.12 116.67 122.74 1hjd s ASP 97 Ca 0.29 2.06 -0.03 0.00 -0.52 0.00 0.00 52.55 54.34 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 0.18 -1.00 0.23 -0.69 0.52 0.00 0.00 175.17 174.40 1hjd s VAL 98 N -1.87 -0.32 0.46 1.11 1.01 0.51 -4.83 120.40 116.48 1hjd s VAL 98 Ca 0.70 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 1hjd s VAL 98 Cb -0.20 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1hjd s VAL 98 CO 0.24 -0.30 1.41 -0.54 0.00 0.00 0.00 175.10 175.91 1hjd s LYS 99 N 2.31 3.63 0.38 2.72 1.02 -1.26 -0.86 119.74 127.67 1hjd s LYS 99 Ca 0.07 2.39 -0.16 0.00 0.02 0.00 0.00 55.97 58.29 1hjd s LYS 99 Cb -0.15 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 1hjd s LYS 99 CO -0.18 -0.85 0.81 0.99 -0.92 0.00 0.00 175.35 175.20 1hjd s THR 100 N -1.22 4.62 -0.42 2.17 2.01 0.77 -4.88 115.64 118.69 1hjd s THR 100 Ca 0.62 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.73 1hjd s THR 100 Cb -0.43 -3.64 0.25 0.00 0.01 0.00 0.00 72.50 68.69 1hjd s THR 100 CO 0.55 -0.32 0.54 -0.67 -0.69 0.00 0.00 174.62 174.02 1hjd n ASP 101 N -0.71 0.58 -0.36 3.53 -0.08 -1.26 -4.88 116.55 113.37 1hjd n ASP 101 Ca 0.04 -2.77 -0.05 0.00 -1.51 0.00 0.00 54.79 50.51 1hjd n ASP 101 Cb 0.54 -0.64 -0.02 0.00 2.34 0.00 0.00 41.12 43.34 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 1.42 -1.23 0.33 -0.67 3.00 -1.26 -4.84 118.16 114.90 1hjd n LYS 102 Ca 0.22 0.56 0.22 0.00 -0.00 0.00 0.00 58.31 59.31 1hjd n LYS 102 Cb 0.51 -4.60 1.18 0.00 0.00 0.00 0.00 35.03 32.12 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 -0.55 5.64 4.06 -1.99 -3.38 115.95 119.74 1hjd h TRP 103 Ca -0.10 0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.92 1hjd h TRP 103 Cb 0.76 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 28.73 1hjd h TRP 103 CO 0.42 0.00 -0.23 0.34 -3.56 0.00 0.00 178.44 175.40 1hjd s ASP 104 N -5.14 -0.86 -0.15 -3.49 2.15 -1.26 -5.06 116.67 102.85 1hjd s ASP 104 Ca -0.05 -0.30 -0.14 0.00 0.43 0.00 0.00 52.55 52.49 1hjd s ASP 104 Cb 0.13 1.20 -0.06 0.00 -0.30 0.00 0.00 42.92 43.89 1hjd s ASP 104 CO 0.41 -0.11 -0.29 0.49 -0.17 0.00 0.00 175.17 175.49 1hjd n PHE 105 N 4.30 0.00 -4.24 -5.34 3.01 -1.26 -5.04 117.46 108.89 1hjd n PHE 105 Ca 0.08 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.29 1hjd n PHE 105 Cb 0.60 -0.50 -0.08 0.00 -0.01 0.00 0.00 39.48 39.48 1hjd n PHE 105 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1hjd s TYR 106 N -2.69 2.77 0.60 1.38 5.04 -1.26 -5.10 117.35 118.09 1hjd s TYR 106 Ca -0.26 -0.18 -0.19 0.00 -2.44 0.00 0.00 57.07 54.00 1hjd s TYR 106 Cb 0.05 -1.31 -0.03 0.00 0.35 0.00 0.00 41.96 41.03 1hjd s TYR 106 CO 0.37 0.55 1.30 0.00 -1.34 0.00 0.00 175.55 176.43