#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 4.26 0.04 0.00 1.01 -1.26 -4.66 116.67 116.05 1hjd s ASP 9 Ca 0.00 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 52.82 1hjd s ASP 9 Cb 0.00 -1.72 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 1hjd s ASP 9 CO 0.00 -0.00 0.08 0.00 0.21 0.00 0.00 175.17 175.46 1hjd s ARG 10 N 1.36 0.57 0.02 8.23 3.03 -1.26 -0.94 118.95 129.96 1hjd s ARG 10 Ca 0.04 -0.75 -0.03 0.00 2.03 0.00 0.00 55.73 57.02 1hjd s ARG 10 Cb -0.14 0.22 -0.01 0.00 -1.03 0.00 0.00 34.95 33.99 1hjd s ARG 10 CO -0.03 -0.14 0.05 -1.59 -1.13 0.00 0.00 175.30 172.46 1hjd s LYS 11 N -2.53 0.42 0.01 3.89 0.00 -0.56 -3.54 119.74 117.43 1hjd s LYS 11 Ca -0.06 -0.57 -0.21 0.00 0.00 0.00 0.00 55.97 55.13 1hjd s LYS 11 Cb -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 37.83 37.92 1hjd s LYS 11 CO -0.04 -0.09 0.62 -0.51 0.00 0.00 0.00 175.35 175.33 1hjd s LEU 12 N -1.57 4.43 0.17 2.77 1.02 -1.25 0.16 118.68 124.40 1hjd s LEU 12 Ca -0.13 1.21 0.05 0.00 0.02 0.00 0.00 54.13 55.28 1hjd s LEU 12 Cb -0.07 -2.97 -0.04 0.00 0.02 0.00 0.00 46.19 43.13 1hjd s LEU 12 CO -0.01 0.10 0.16 0.00 0.02 0.00 0.00 176.35 176.62 1hjd n ALA 14 N -0.44 5.36 0.00 0.00 0.00 -1.25 -1.85 120.51 122.33 1hjd n ALA 14 Ca -0.08 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.66 1hjd n ALA 14 Cb 0.55 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1hjd n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hjd n ASP 15 N 0.89 0.00 -0.06 0.00 8.00 -1.25 -3.10 116.55 121.03 1hjd n ASP 15 Ca 0.30 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.75 1hjd n ASP 15 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 1hjd n ASP 15 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1hjd h GLN 16 N 0.00 0.00 -0.55 -1.24 4.15 -1.96 -3.36 115.11 112.15 1hjd h GLN 16 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1hjd h GLN 16 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1hjd h GLN 16 CO 0.00 0.36 0.00 -0.85 -1.93 0.00 0.00 178.83 176.41 1hjd n GLU 17 N -4.70 2.50 -2.91 1.69 0.28 -1.26 -4.97 120.64 111.27 1hjd n GLU 17 Ca -0.05 -1.74 -0.11 0.00 -0.16 0.00 0.00 57.16 55.10 1hjd n GLU 17 Cb 0.20 -1.56 0.01 0.00 1.43 0.00 0.00 31.44 31.53 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hjd n SER 19 N -0.16 0.75 -3.61 0.00 2.88 -1.26 -5.04 113.62 107.18 1hjd n SER 19 Ca 0.08 -2.06 -0.10 0.00 -1.33 0.00 0.00 58.87 55.46 1hjd n SER 19 Cb 0.44 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.66 1hjd n SER 19 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1hjd s HIS 20 N -2.48 -0.45 0.51 0.66 3.76 -1.26 -5.05 115.29 110.98 1hjd s HIS 20 Ca 0.23 0.96 -0.20 0.00 -0.15 0.00 0.00 55.06 55.89 1hjd s HIS 20 Cb 0.35 0.40 -0.07 0.00 1.11 0.00 0.00 32.58 34.37 1hjd s HIS 20 CO -0.07 -0.29 1.10 -1.25 -0.85 0.00 0.00 174.74 173.38 1hjd s PRO 21 N -0.36 3.55 -0.06 8.40 0.04 -1.26 -4.21 135.00 141.10 1hjd s PRO 21 Ca 0.01 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.34 1hjd s PRO 21 Cb -0.03 -2.09 -0.23 0.00 0.04 0.00 0.00 34.50 32.20 1hjd s PRO 21 CO -0.02 -0.68 1.06 0.97 0.04 0.00 0.00 177.00 178.37 1hjd h ILE 22 N 1.40 1.55 -1.16 0.56 6.09 -1.17 -3.24 117.51 121.53 1hjd h ILE 22 Ca -0.50 -1.71 0.00 0.00 -1.37 0.00 0.00 64.86 61.28 1hjd h ILE 22 Cb 1.25 2.67 0.00 0.00 0.47 0.00 0.00 36.82 41.21 1hjd h ILE 22 CO 0.58 0.45 0.00 -1.54 -3.07 0.00 0.00 178.15 174.57 1hjd n SER 23 N -4.68 0.00 -4.30 2.19 3.41 -1.03 -0.11 113.62 109.09 1hjd n SER 23 Ca -0.09 -0.87 -0.30 0.00 -0.26 0.00 0.00 58.87 57.35 1hjd n SER 23 Cb 0.39 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.62 1.88 -0.12 4.33 1.75 0.30 -1.89 119.30 123.92 1hjd s MET 24 Ca 0.00 -0.95 -0.06 0.00 -1.25 0.00 0.00 55.69 53.43 1hjd s MET 24 Cb 0.00 -1.90 0.05 0.00 2.84 0.00 0.00 34.83 35.82 1hjd s MET 24 CO 0.00 0.51 0.29 0.00 -0.65 0.00 0.00 175.02 175.17 1hjd s ALA 25 N -0.66 -0.69 0.11 4.11 0.00 0.29 -1.78 121.76 123.15 1hjd s ALA 25 Ca 0.10 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.16 1hjd s ALA 25 Cb -0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1hjd s ALA 25 CO 0.00 -0.27 0.32 0.08 0.00 0.00 0.00 175.76 175.90 1hjd s VAL 26 N 1.43 5.24 0.14 0.00 1.01 -0.57 0.16 120.40 127.81 1hjd s VAL 26 Ca -0.08 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 1hjd s VAL 26 Cb -0.10 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1hjd s VAL 26 CO -0.10 0.08 1.73 0.00 0.00 0.00 0.00 175.10 176.81 1hjd s ALA 27 N -1.61 3.79 -2.06 5.51 0.00 0.19 0.18 121.76 127.77 1hjd s ALA 27 Ca 0.39 1.43 0.15 0.00 0.00 0.00 0.00 51.96 53.92 1hjd s ALA 27 Cb -0.12 -3.71 0.44 0.00 0.00 0.00 0.00 23.12 19.72 1hjd s ALA 27 CO 0.25 -1.06 1.36 -0.11 0.00 0.00 0.00 175.76 176.20 1hjd n LEU 28 N 4.99 2.29 0.00 0.00 0.00 0.57 -4.08 117.00 120.76 1hjd n LEU 28 Ca 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 56.01 55.06 1hjd n LEU 28 Cb 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 43.42 43.53 1hjd n LEU 28 CO 0.64 0.56 0.00 0.00 0.00 0.00 0.00 177.39 178.59 1hjd n GLN 29 N 0.74 0.00 -2.45 1.96 6.02 -1.25 -4.99 117.38 117.41 1hjd n GLN 29 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 1hjd n GLN 29 Cb 0.37 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.60 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 7.12 -0.29 1.08 2.15 -1.26 -4.04 116.67 121.42 1hjd s ASP 30 Ca 0.00 1.99 0.02 0.00 0.43 0.00 0.00 52.55 54.99 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 -0.43 0.63 -0.47 -0.17 0.00 0.00 175.17 174.73 1hjd s TYR 31 N 0.97 -1.65 0.27 -5.34 6.14 0.19 -4.95 117.35 112.97 1hjd s TYR 31 Ca 0.57 1.27 -0.30 0.00 0.64 0.00 0.00 57.07 59.26 1hjd s TYR 31 Cb -0.29 0.40 -0.10 0.00 0.42 0.00 0.00 41.96 42.39 1hjd s TYR 31 CO 0.29 -0.94 1.42 1.41 0.64 0.00 0.00 175.55 178.37 1hjd s MET 32 N 2.85 4.27 0.42 4.97 -2.45 -1.26 -1.20 119.30 126.90 1hjd s MET 32 Ca 0.15 2.30 -0.19 0.00 -1.25 0.00 0.00 55.69 56.70 1hjd s MET 32 Cb -0.12 -3.09 -0.14 0.00 1.25 0.00 0.00 34.83 32.73 1hjd s MET 32 CO -0.23 -0.38 -0.01 0.00 1.05 0.00 0.00 175.02 175.45 1hjd n ALA 33 N 1.88 -2.93 -0.04 4.11 0.00 -1.26 -4.85 120.51 117.42 1hjd n ALA 33 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1hjd n ALA 33 Cb 0.40 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1hjd n ALA 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hjd h PRO 34 N 0.16 -0.14 0.00 0.00 0.11 -1.92 -3.46 132.00 126.76 1hjd h PRO 34 Ca -0.36 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.84 1hjd h PRO 34 Cb 1.36 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 1hjd h PRO 34 CO 0.42 -0.09 0.26 -3.47 -0.21 0.00 0.00 178.00 174.91 1hjd n ASP 35 N -5.30 -0.63 -1.57 -2.05 2.03 -1.26 -4.97 116.55 102.80 1hjd n ASP 35 Ca -0.01 -1.29 -0.20 0.00 0.52 0.00 0.00 54.79 53.80 1hjd n ASP 35 Cb 0.22 1.01 -0.08 0.00 -0.72 0.00 0.00 41.12 41.55 1hjd n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hjd n ARG 37 N -2.43 -3.99 -0.52 0.00 0.63 -1.26 -4.98 116.66 104.11 1hjd n ARG 37 Ca -0.20 0.58 -0.09 0.00 -0.92 0.00 0.00 57.85 57.21 1hjd n ARG 37 Cb 0.66 -4.97 0.07 0.00 0.45 0.00 0.00 32.46 28.67 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1hjd n PHE 38 N -4.22 -3.77 -2.63 -0.14 3.72 -1.07 -4.96 117.46 104.40 1hjd n PHE 38 Ca -0.26 -0.35 -0.43 0.00 -0.05 0.00 0.00 57.45 56.36 1hjd n PHE 38 Cb 0.66 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 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 3.61 1.00 4.37 2.96 -1.26 -4.59 118.68 124.77 1hjd s LEU 39 Ca 0.23 0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 54.16 1hjd s LEU 39 Cb -0.01 -3.23 0.19 0.00 0.50 0.00 0.00 46.19 43.64 1hjd s LEU 39 CO 0.17 -1.37 1.10 0.28 -1.32 0.00 0.00 176.35 175.22 1hjd s THR 40 N 4.63 2.00 -0.02 3.68 -1.32 -1.26 -4.48 115.64 118.87 1hjd s THR 40 Ca 0.42 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.97 1hjd s THR 40 Cb -0.08 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.36 1hjd s THR 40 CO 0.26 0.00 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.82 1hjd s ILE 41 N -3.03 1.76 -0.00 5.08 1.09 -0.34 -4.87 121.20 120.88 1hjd s ILE 41 Ca 0.65 -0.95 0.02 0.00 -1.10 0.00 0.00 60.65 59.27 1hjd s ILE 41 Cb -0.18 -1.46 -0.01 0.00 -1.06 0.00 0.00 42.46 39.76 1hjd s ILE 41 CO 0.57 0.50 -0.06 -2.28 -0.10 0.00 0.00 174.94 173.56 1hjd s HIS 42 N -0.51 0.57 0.99 3.97 2.46 -1.26 0.53 115.29 122.04 1hjd s HIS 42 Ca 0.08 -0.13 -0.17 0.00 0.47 0.00 0.00 55.06 55.31 1hjd s HIS 42 Cb -0.09 -0.36 -0.11 0.00 -0.13 0.00 0.00 32.58 31.89 1hjd s HIS 42 CO -0.01 -0.01 -0.62 0.54 -2.47 0.00 0.00 174.74 172.17 1hjd n ARG 43 N 2.83 -0.09 -4.43 2.88 5.12 -1.26 -2.54 116.66 119.17 1hjd n ARG 43 Ca -0.14 -0.02 -0.39 0.00 -1.93 0.00 0.00 57.85 55.38 1hjd n ARG 43 Cb 0.58 -1.18 -0.07 0.00 -1.16 0.00 0.00 32.46 30.62 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 3.08 -0.34 2.84 -0.13 0.00 -1.26 -4.92 105.19 104.47 1hjd n GLY 44 Ca -0.00 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -7.21 1.17 0.71 1.61 0.74 -1.05 -4.98 119.66 110.65 1hjd s GLN 45 Ca 0.61 -0.57 -0.13 0.00 0.05 0.00 0.00 55.36 55.32 1hjd s GLN 45 Cb -0.35 -2.13 0.03 0.00 1.10 0.00 0.00 33.01 31.65 1hjd s GLN 45 CO 1.00 -0.54 1.10 0.08 -0.55 0.00 0.00 175.29 176.39 1hjd s VAL 46 N 1.67 3.30 -0.13 1.34 1.01 -1.26 0.53 120.40 126.85 1hjd s VAL 46 Ca -0.01 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1hjd s VAL 46 Cb -0.17 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1hjd s VAL 46 CO -0.07 -0.46 0.32 -0.69 0.00 0.00 0.00 175.10 174.19 1hjd s VAL 47 N -2.61 -0.03 -0.54 2.92 1.01 0.42 0.15 120.40 121.71 1hjd s VAL 47 Ca 0.64 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1hjd s VAL 47 Cb -0.19 -0.47 0.11 0.00 0.00 0.00 0.00 36.38 35.83 1hjd s VAL 47 CO 0.48 0.05 0.55 -0.31 0.00 0.00 0.00 175.10 175.87 1hjd s TYR 48 N 1.20 3.17 0.11 5.22 1.51 0.28 0.11 117.35 128.94 1hjd s TYR 48 Ca -0.08 -1.10 -0.30 0.00 -1.01 0.00 0.00 57.07 54.57 1hjd s TYR 48 Cb -0.09 -3.75 -0.07 0.00 -0.11 0.00 0.00 41.96 37.94 1hjd s TYR 48 CO -0.09 -1.06 1.20 0.08 -1.11 0.00 0.00 175.55 174.56 1hjd s VAL 49 N 1.96 3.84 -0.03 0.71 1.01 -0.79 -1.71 120.40 125.38 1hjd s VAL 49 Ca 0.06 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.51 1hjd s VAL 49 Cb -0.27 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 1hjd s VAL 49 CO 0.05 0.16 0.11 0.49 0.00 0.00 0.00 175.10 175.90 1hjd n PHE 50 N 3.36 0.00 -3.92 5.22 3.01 -0.68 -0.86 117.46 123.59 1hjd n PHE 50 Ca 0.07 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.43 1hjd n PHE 50 Cb 0.46 -0.24 -0.10 0.00 -0.01 0.00 0.00 39.48 39.59 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 -3.25 0.13 -0.43 4.37 1.04 0.14 -4.23 113.70 111.47 1hjd s SER 51 Ca -0.03 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.08 1hjd s SER 51 Cb 0.04 0.17 0.16 0.00 0.10 0.00 0.00 66.02 66.49 1hjd s SER 51 CO 0.29 -0.36 0.33 -1.59 0.98 0.00 0.00 173.24 172.90 1hjd s LYS 52 N -1.55 1.00 -0.13 4.02 -2.85 -1.23 0.11 119.74 119.11 1hjd s LYS 52 Ca -0.14 -2.10 -0.29 0.00 -1.00 0.00 0.00 55.97 52.44 1hjd s LYS 52 Cb -0.08 -1.61 -0.05 0.00 -2.06 0.00 0.00 37.83 34.04 1hjd s LYS 52 CO -0.00 -1.35 1.76 -1.17 0.10 0.00 0.00 175.35 174.70 1hjd s LEU 53 N 0.09 4.06 0.00 2.77 0.20 -1.25 -3.85 118.68 120.70 1hjd s LEU 53 Ca 0.29 2.02 0.00 0.00 0.69 0.00 0.00 54.13 57.14 1hjd s LEU 53 Cb -0.02 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 1hjd s LEU 53 CO -0.16 -1.21 0.00 2.29 -0.29 0.00 0.00 176.35 176.98 1hjd n LYS 54 N 7.61 2.28 0.00 1.98 2.85 -1.23 -1.85 118.16 129.80 1hjd n LYS 54 Ca 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1hjd n LYS 54 Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 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 3.75 1.15 0.07 2.58 0.00 -1.26 -3.19 105.19 108.29 1hjd n GLY 55 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 1.76 -0.79 1.61 5.12 -1.26 -4.77 116.66 118.34 1hjd n ARG 56 Ca 0.00 -1.78 -0.04 0.00 -1.93 0.00 0.00 57.85 54.10 1hjd n ARG 56 Cb 0.00 -1.10 -0.04 0.00 -1.16 0.00 0.00 32.46 30.16 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1hjd n GLY 57 N -0.77 0.12 0.45 -0.13 0.00 -1.19 -4.97 105.19 98.70 1hjd n GLY 57 Ca 0.06 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.35 1hjd n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hjd h ARG 58 N 0.00 0.00 0.00 1.61 2.43 -1.56 0.74 114.38 117.60 1hjd h ARG 58 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1hjd h ARG 58 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1hjd h ARG 58 CO -0.17 0.00 0.00 1.47 -1.51 0.00 0.00 179.97 179.76 1hjd n LEU 59 N -4.05 0.00 -3.76 3.80 -0.00 -1.26 -4.32 117.00 107.41 1hjd n LEU 59 Ca 0.16 0.23 -0.30 0.00 -0.00 0.00 0.00 56.01 56.10 1hjd n LEU 59 Cb 0.91 -0.23 -0.14 0.00 -0.00 0.00 0.00 43.42 43.97 1hjd n LEU 59 CO 0.35 -0.07 -0.26 0.12 -0.00 0.00 0.00 177.39 177.53 1hjd s PHE 60 N -2.45 2.17 0.21 1.47 5.36 0.26 -1.89 117.98 123.11 1hjd s PHE 60 Ca 0.23 -2.41 -0.05 0.00 -0.96 0.00 0.00 56.93 53.74 1hjd s PHE 60 Cb 0.14 -2.02 -0.05 0.00 -0.34 0.00 0.00 43.02 40.75 1hjd s PHE 60 CO 0.31 -0.81 0.46 -1.58 -1.46 0.00 0.00 175.22 172.14 1hjd s TRP 61 N 0.56 3.47 -0.20 10.12 0.52 -0.38 -3.74 118.94 129.29 1hjd s TRP 61 Ca 0.16 0.59 -0.08 0.00 0.02 0.00 0.00 56.10 56.78 1hjd s TRP 61 Cb -0.23 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.00 1hjd s TRP 61 CO -0.05 0.32 0.09 0.20 0.02 0.00 0.00 176.95 177.53 1hjd s GLY 62 N -2.77 1.93 0.00 0.98 0.00 0.29 0.16 107.32 107.92 1hjd s GLY 62 Ca 0.42 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1hjd s GLY 62 CO 0.26 0.14 0.00 0.61 0.00 0.00 0.00 173.10 174.11 1hjd n GLY 63 N 3.69 3.26 3.52 0.20 0.00 -0.55 -0.68 105.19 114.62 1hjd n GLY 63 Ca -0.16 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 1.89 -0.81 0.56 1.61 1.04 -0.70 -0.36 113.70 116.93 1hjd s SER 64 Ca 0.00 1.32 -0.17 0.00 0.48 0.00 0.00 55.95 57.58 1hjd s SER 64 Cb 0.00 1.28 -0.05 0.00 0.10 0.00 0.00 66.02 67.35 1hjd s SER 64 CO 0.00 -0.22 1.05 0.68 0.98 0.00 0.00 173.24 175.73 1hjd s VAL 65 N 1.71 3.78 0.95 5.02 -7.23 -1.26 0.10 120.40 123.47 1hjd s VAL 65 Ca -0.09 0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 60.90 1hjd s VAL 65 Cb -0.07 -3.40 0.12 0.00 0.56 0.00 0.00 36.38 33.59 1hjd s VAL 65 CO -0.18 -0.40 0.87 0.00 -0.31 0.00 0.00 175.10 175.08 1hjd n GLN 66 N -1.65 -0.57 0.00 4.82 10.64 0.39 -4.79 117.38 126.22 1hjd n GLN 66 Ca 0.09 -0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1hjd n GLN 66 Cb 0.53 -2.18 0.00 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 0.77 0.00 2.83 2.61 0.00 -1.26 -4.95 105.19 105.18 1hjd n GLY 67 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1hjd n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hjd s ASP 68 N 0.00 0.91 0.00 1.61 1.01 -1.26 -4.95 116.67 114.00 1hjd s ASP 68 Ca 0.00 0.20 0.25 0.00 0.71 0.00 0.00 52.55 53.71 1hjd s ASP 68 Cb 0.00 0.33 0.44 0.00 1.01 0.00 0.00 42.92 44.70 1hjd s ASP 68 CO 0.00 -0.27 1.37 0.00 0.21 0.00 0.00 175.17 176.48 1hjd n TYR 69 N 5.33 0.00 -3.63 4.23 9.36 -1.26 -4.83 117.16 126.36 1hjd n TYR 69 Ca -0.05 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.02 1hjd n TYR 69 Cb 0.50 -0.05 -0.14 0.00 -0.63 0.00 0.00 39.34 39.02 1hjd n TYR 69 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1hjd s TYR 70 N -2.38 -0.35 0.00 2.98 1.13 -1.26 -5.09 117.35 112.37 1hjd s TYR 70 Ca 0.24 0.76 0.00 0.00 -1.41 0.00 0.00 57.07 56.66 1hjd s TYR 70 Cb 0.19 -0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.91 1hjd s TYR 70 CO 0.50 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.57 1hjd n GLY 71 N 5.34 0.30 0.00 5.49 0.00 -1.26 -4.68 105.19 110.38 1hjd n GLY 71 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1hjd n GLY 71 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hjd n ASP 72 N 5.92 0.00 -2.84 1.61 5.75 -1.26 -5.03 116.55 120.71 1hjd n ASP 72 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 1hjd n ASP 72 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1hjd s LEU 73 N 0.00 -1.22 0.00 -2.12 1.43 -1.26 -5.06 118.68 110.44 1hjd s LEU 73 Ca 0.00 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 1hjd s LEU 73 Cb 0.00 1.59 0.00 0.00 0.03 0.00 0.00 46.19 47.81 1hjd s LEU 73 CO 0.00 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.51 1hjd n ALA 74 N 3.23 0.00 -3.54 4.21 0.00 -1.26 -5.18 120.51 117.97 1hjd n ALA 74 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 1hjd n ALA 74 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.80 -0.62 0.00 0.00 -1.26 -4.84 121.76 113.25 1hjd s ALA 75 Ca 0.00 1.41 -0.24 0.00 0.00 0.00 0.00 51.96 53.13 1hjd s ALA 75 Cb 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.97 1hjd s ALA 75 CO 0.00 -0.36 1.03 1.03 0.00 0.00 0.00 175.76 177.46 1hjd s ARG 76 N -1.06 3.24 0.01 0.00 0.52 -1.26 -4.99 118.95 115.42 1hjd s ARG 76 Ca -0.09 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 1hjd s ARG 76 Cb -0.00 -4.13 -0.08 0.00 0.52 0.00 0.00 34.95 31.25 1hjd s ARG 76 CO 0.08 -1.73 1.88 -1.17 0.02 0.00 0.00 175.30 174.38 1hjd s LEU 77 N 4.37 4.40 0.00 2.53 0.20 -1.26 -4.70 118.68 124.22 1hjd s LEU 77 Ca 0.29 2.55 0.02 0.00 0.69 0.00 0.00 54.13 57.69 1hjd s LEU 77 Cb -0.13 -3.53 0.02 0.00 -0.43 0.00 0.00 46.19 42.12 1hjd s LEU 77 CO 0.16 -1.02 0.21 0.61 -0.29 0.00 0.00 176.35 176.02 1hjd n GLY 78 N 4.42 2.94 2.80 7.98 0.00 0.51 -4.91 105.19 118.93 1hjd n GLY 78 Ca 0.19 -2.24 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.50 0.97 0.07 1.61 1.51 -1.26 -1.49 117.35 117.27 1hjd s TYR 79 Ca 0.16 -0.50 -0.25 0.00 -1.01 0.00 0.00 57.07 55.47 1hjd s TYR 79 Cb -0.01 -0.97 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 1hjd s TYR 79 CO 0.10 -0.45 0.60 -0.59 -1.11 0.00 0.00 175.55 174.10 1hjd s PHE 80 N 1.87 -0.54 0.25 2.71 -0.12 0.12 -4.77 117.98 117.50 1hjd s PHE 80 Ca 0.03 0.60 -0.31 0.00 -0.05 0.00 0.00 56.93 57.20 1hjd s PHE 80 Cb -0.14 0.45 -0.12 0.00 -0.63 0.00 0.00 43.02 42.59 1hjd s PHE 80 CO -0.07 -0.72 1.65 -0.35 -0.05 0.00 0.00 175.22 175.68 1hjd n PRO 81 N 0.21 2.71 0.30 1.99 -0.04 -0.79 -1.25 135.00 138.13 1hjd n PRO 81 Ca -0.18 0.97 0.16 0.00 -0.04 0.00 0.00 63.50 64.41 1hjd n PRO 81 Cb 0.61 -2.78 0.94 0.00 -0.04 0.00 0.00 33.50 32.24 1hjd n PRO 81 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1hjd h SER 82 N 5.72 0.00 -1.15 3.54 0.87 -1.84 -2.36 113.55 118.34 1hjd h SER 82 Ca -0.45 0.00 0.33 0.00 -1.23 0.00 0.00 61.79 60.44 1hjd h SER 82 Cb 1.22 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 1hjd h SER 82 CO 0.87 0.00 0.80 0.28 -0.53 0.00 0.00 176.83 178.25 1hjd h SER 83 N 0.00 0.12 -0.45 6.23 0.02 -1.94 0.42 113.55 117.95 1hjd h SER 83 Ca 0.00 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 1hjd h SER 83 Cb 0.00 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1hjd h SER 83 CO -0.00 0.02 -0.14 0.40 -1.14 0.00 0.00 176.83 175.97 1hjd h ILE 84 N 0.10 1.27 -6.30 3.27 2.04 -1.80 -3.45 117.51 112.63 1hjd h ILE 84 Ca 0.58 -1.27 -0.48 0.00 1.00 0.00 0.00 64.86 64.68 1hjd h ILE 84 Cb 2.07 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1hjd h ILE 84 CO -0.10 0.44 -0.11 1.33 0.00 0.00 0.00 178.15 179.71 1hjd n VAL 85 N -4.14 0.00 -3.62 1.67 0.24 0.15 -0.32 118.33 112.32 1hjd n VAL 85 Ca 0.01 -1.90 -0.28 0.00 -2.04 0.00 0.00 64.34 60.13 1hjd n VAL 85 Cb 0.41 -0.42 -0.16 0.00 -1.47 0.00 0.00 33.84 32.20 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 -4.42 0.28 0.12 7.34 3.00 0.49 -4.60 118.95 121.15 1hjd s ARG 86 Ca 0.51 -0.42 -0.31 0.00 -1.00 0.00 0.00 55.73 54.51 1hjd s ARG 86 Cb -0.04 -1.63 -0.08 0.00 0.00 0.00 0.00 34.95 33.19 1hjd s ARG 86 CO 0.32 -0.84 1.47 -1.21 0.00 0.00 0.00 175.30 175.05 1hjd s GLU 87 N 2.02 4.27 0.00 5.12 2.02 -1.26 -1.51 118.70 129.37 1hjd s GLU 87 Ca 0.05 2.17 0.00 0.00 0.02 0.00 0.00 54.97 57.22 1hjd s GLU 87 Cb -0.16 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1hjd s GLU 87 CO -0.21 -0.53 0.00 -3.47 0.02 0.00 0.00 175.26 171.07 1hjd n ASP 88 N 4.22 0.49 -4.89 -0.19 2.03 -0.73 -4.96 116.55 112.53 1hjd n ASP 88 Ca 0.13 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.15 1hjd n ASP 88 Cb 0.41 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.98 3.26 0.03 -0.67 2.00 -1.22 -4.98 119.66 116.10 1hjd s GLN 89 Ca 0.00 -0.61 0.01 0.00 -2.00 0.00 0.00 55.36 52.77 1hjd s GLN 89 Cb 0.00 -2.90 -0.02 0.00 0.80 0.00 0.00 33.01 30.89 1hjd s GLN 89 CO 0.00 0.55 -0.05 0.95 -0.50 0.00 0.00 175.29 176.24 1hjd s THR 90 N -1.61 0.33 -0.32 -0.34 -4.23 -1.26 0.11 115.64 108.31 1hjd s THR 90 Ca 0.33 -0.98 0.16 0.00 -1.18 0.00 0.00 61.69 60.01 1hjd s THR 90 Cb -0.12 -0.43 0.44 0.00 1.34 0.00 0.00 72.50 73.73 1hjd s THR 90 CO 0.26 -0.43 1.41 -0.11 -0.54 0.00 0.00 174.62 175.22 1hjd n LEU 91 N 1.55 -0.62 -4.48 4.79 0.00 -0.91 -4.89 117.00 112.45 1hjd n LEU 91 Ca -0.23 -3.18 -0.43 0.00 0.00 0.00 0.00 56.01 52.16 1hjd n LEU 91 Cb 0.55 0.20 -0.06 0.00 0.00 0.00 0.00 43.42 44.11 1hjd n LEU 91 CO 0.20 1.54 0.40 -1.59 0.00 0.00 0.00 177.39 177.94 1hjd s LYS 92 N -0.98 3.20 0.13 1.96 -2.85 0.84 -4.46 119.74 117.57 1hjd s LYS 92 Ca 0.15 -0.65 0.11 0.00 -1.00 0.00 0.00 55.97 54.58 1hjd s LYS 92 Cb 0.41 -4.05 -0.13 0.00 -2.06 0.00 0.00 37.83 32.00 1hjd s LYS 92 CO -0.10 -1.19 1.16 -1.00 0.10 0.00 0.00 175.35 174.32 1hjd h PRO 93 N 9.00 0.00 -5.22 1.78 0.13 -1.81 -3.47 132.00 132.41 1hjd h PRO 93 Ca -0.27 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.35 1hjd h PRO 93 Cb 1.09 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 1hjd h PRO 93 CO 0.96 0.69 -0.58 0.20 -0.23 0.00 0.00 178.00 179.04 1hjd s GLY 94 N -4.72 2.28 -0.37 1.56 0.00 -1.18 -4.86 107.32 100.03 1hjd s GLY 94 Ca 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 44.72 43.05 1hjd s GLY 94 CO 0.80 -1.87 1.19 0.58 0.00 0.00 0.00 173.10 173.80 1hjd n LYS 95 N -0.79 1.17 -2.95 2.90 2.85 -0.83 -3.77 118.16 116.74 1hjd n LYS 95 Ca -0.04 -2.40 -0.40 0.00 -1.05 0.00 0.00 58.31 54.42 1hjd n LYS 95 Cb 0.66 -0.54 -0.06 0.00 -0.65 0.00 0.00 35.03 34.45 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 -1.15 4.39 0.16 0.58 1.01 -0.77 -4.65 120.40 119.97 1hjd s VAL 96 Ca 0.24 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 1hjd s VAL 96 Cb 0.42 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 1hjd s VAL 96 CO -0.04 0.49 0.99 -0.62 0.00 0.00 0.00 175.10 175.93 1hjd s ASP 97 N -0.97 7.47 -0.28 3.32 2.15 -1.26 0.11 116.67 127.20 1hjd s ASP 97 Ca 0.37 1.90 0.00 0.00 0.43 0.00 0.00 52.55 55.25 1hjd s ASP 97 Cb -0.23 -2.60 0.08 0.00 -0.30 0.00 0.00 42.92 39.88 1hjd s ASP 97 CO 0.27 -0.06 0.04 -0.69 -0.17 0.00 0.00 175.17 174.56 1hjd s VAL 98 N -0.32 1.24 -0.33 1.11 1.01 0.42 -4.91 120.40 118.61 1hjd s VAL 98 Ca 0.46 -1.41 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1hjd s VAL 98 Cb -0.25 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1hjd s VAL 98 CO 0.32 -0.45 1.74 -0.75 0.00 0.00 0.00 175.10 175.95 1hjd s LYS 99 N 1.47 3.39 0.71 2.72 2.20 -1.26 -1.49 119.74 127.48 1hjd s LYS 99 Ca 0.04 1.38 -0.11 0.00 -0.36 0.00 0.00 55.97 56.92 1hjd s LYS 99 Cb -0.18 -4.17 0.01 0.00 -1.51 0.00 0.00 37.83 31.99 1hjd s LYS 99 CO -0.15 -1.79 1.09 -0.08 -0.36 0.00 0.00 175.35 174.06 1hjd s THR 100 N 6.59 3.63 0.00 3.43 -1.32 -0.12 -4.94 115.64 122.91 1hjd s THR 100 Ca 0.77 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 61.78 1hjd s THR 100 Cb -0.21 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 1hjd s THR 100 CO 0.34 -0.69 0.00 0.47 -2.21 0.00 0.00 174.62 172.52 1hjd n ASP 101 N -3.04 0.00 0.00 8.08 8.00 -1.26 -4.64 116.55 123.68 1hjd n ASP 101 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1hjd n ASP 101 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.87 1.91 -0.04 -1.24 3.00 -1.26 -4.70 118.16 114.96 1hjd n LYS 102 Ca 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 58.31 58.56 1hjd n LYS 102 Cb 0.00 -0.94 0.68 0.00 0.00 0.00 0.00 35.03 34.76 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 -2.16 5.64 4.06 -1.99 -2.50 115.95 119.00 1hjd h TRP 103 Ca 0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 1hjd h TRP 103 Cb 0.38 0.00 -0.42 0.00 -1.00 0.00 0.00 29.16 28.13 1hjd h TRP 103 CO 0.00 0.00 -0.68 -0.25 -3.56 0.00 0.00 178.44 173.95 1hjd n ASP 104 N -3.67 3.21 -3.17 -3.49 9.92 -1.26 -4.99 116.55 113.10 1hjd n ASP 104 Ca 0.14 -3.33 0.05 0.00 -0.53 0.00 0.00 54.79 51.11 1hjd n ASP 104 Cb 0.93 -0.66 -0.02 0.00 -0.64 0.00 0.00 41.12 40.73 1hjd n ASP 104 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1hjd s PHE 105 N -2.31 -0.59 -0.30 1.24 5.36 -0.94 -4.95 117.98 115.48 1hjd s PHE 105 Ca 0.40 0.67 -0.02 0.00 -0.96 0.00 0.00 56.93 57.02 1hjd s PHE 105 Cb 0.16 0.23 0.12 0.00 -0.34 0.00 0.00 43.02 43.18 1hjd s PHE 105 CO -0.03 -0.32 0.20 -0.47 -1.46 0.00 0.00 175.22 173.14 1hjd s TYR 106 N 2.87 0.10 -0.30 10.12 6.14 -1.26 -4.99 117.35 130.03 1hjd s TYR 106 Ca 0.00 -0.75 -0.15 0.00 0.64 0.00 0.00 57.07 56.81 1hjd s TYR 106 Cb -0.10 -0.75 0.18 0.00 0.42 0.00 0.00 41.96 41.71 1hjd s TYR 106 CO -0.12 -0.86 1.13 0.00 0.64 0.00 0.00 175.55 176.34