#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 -1.33 0.06 0.00 -1.08 -1.26 -4.73 116.67 108.32 1hjd s ASP 9 Ca 0.00 -0.64 -0.00 0.00 -0.52 0.00 0.00 52.55 51.39 1hjd s ASP 9 Cb 0.00 1.71 -0.04 0.00 -1.46 0.00 0.00 42.92 43.13 1hjd s ASP 9 CO 0.00 -0.15 -0.04 -0.13 0.52 0.00 0.00 175.17 175.37 1hjd s ARG 10 N 1.91 0.61 -0.17 4.34 3.00 -1.25 -0.27 118.95 127.11 1hjd s ARG 10 Ca 0.16 -1.12 -0.12 0.00 0.00 0.00 0.00 55.73 54.65 1hjd s ARG 10 Cb -0.03 0.07 0.05 0.00 0.00 0.00 0.00 34.95 35.04 1hjd s ARG 10 CO -0.09 -0.07 0.44 0.21 0.00 0.00 0.00 175.30 175.79 1hjd s LYS 11 N -3.36 0.46 0.09 3.54 2.20 0.03 -2.82 119.74 119.88 1hjd s LYS 11 Ca 0.03 0.74 -0.21 0.00 -0.36 0.00 0.00 55.97 56.18 1hjd s LYS 11 Cb 0.03 0.10 -0.07 0.00 -1.51 0.00 0.00 37.83 36.38 1hjd s LYS 11 CO -0.07 -0.12 0.62 -0.51 -0.36 0.00 0.00 175.35 174.91 1hjd s LEU 12 N 0.95 4.54 0.12 5.43 1.02 -1.26 0.17 118.68 129.65 1hjd s LEU 12 Ca -0.06 1.35 0.04 0.00 0.02 0.00 0.00 54.13 55.48 1hjd s LEU 12 Cb -0.06 -2.99 -0.04 0.00 0.02 0.00 0.00 46.19 43.12 1hjd s LEU 12 CO -0.08 0.25 -0.10 0.00 0.02 0.00 0.00 176.35 176.43 1hjd n ALA 14 N 0.19 3.29 -1.15 0.00 0.00 -1.25 -0.34 120.51 121.25 1hjd n ALA 14 Ca -0.13 -2.25 0.09 0.00 0.00 0.00 0.00 53.44 51.14 1hjd n ALA 14 Cb 0.59 -3.23 -0.02 0.00 0.00 0.00 0.00 19.45 16.79 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 5.97 -6.88 -3.83 0.00 9.92 -1.26 -3.18 116.55 117.29 1hjd n ASP 15 Ca 0.40 0.68 -0.40 0.00 -0.53 0.00 0.00 54.79 54.95 1hjd n ASP 15 Cb 0.24 -1.91 -0.07 0.00 -0.64 0.00 0.00 41.12 38.74 1hjd n ASP 15 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hjd n GLN 16 N -2.91 1.24 0.10 -1.24 1.13 -1.26 -3.16 117.38 111.28 1hjd n GLN 16 Ca 0.00 -1.84 0.00 0.00 -1.94 0.00 0.00 57.00 53.23 1hjd n GLN 16 Cb 0.29 -3.05 0.00 0.00 0.11 0.00 0.00 30.24 27.58 1hjd n GLN 16 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1hjd n GLU 17 N 7.45 0.00 -2.46 -1.09 2.13 -1.25 -5.02 120.64 120.39 1hjd n GLU 17 Ca 0.48 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 58.11 1hjd n GLU 17 Cb 0.42 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.13 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hjd n SER 19 N -2.00 2.00 -4.81 0.00 2.88 -1.26 -4.95 113.62 105.49 1hjd n SER 19 Ca -0.21 0.17 -0.34 0.00 -1.33 0.00 0.00 58.87 57.15 1hjd n SER 19 Cb 0.66 -0.74 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 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 -2.50 3.44 0.76 0.66 3.76 -1.26 -5.06 115.29 115.10 1hjd s HIS 20 Ca -0.30 1.58 -0.11 0.00 -0.15 0.00 0.00 55.06 56.08 1hjd s HIS 20 Cb 0.09 -2.81 0.05 0.00 1.11 0.00 0.00 32.58 31.02 1hjd s HIS 20 CO 0.63 0.03 1.08 -1.25 -0.85 0.00 0.00 174.74 174.39 1hjd s PRO 21 N -2.77 2.37 -0.04 8.40 0.04 -1.26 -4.82 135.00 136.91 1hjd s PRO 21 Ca 0.56 0.90 -0.24 0.00 0.04 0.00 0.00 61.00 62.27 1hjd s PRO 21 Cb -0.12 -1.93 -0.24 0.00 0.04 0.00 0.00 34.50 32.25 1hjd s PRO 21 CO 0.17 -1.49 1.04 0.97 0.04 0.00 0.00 177.00 177.73 1hjd h ILE 22 N -1.00 1.53 0.00 0.56 6.09 -1.14 -3.37 117.51 120.17 1hjd h ILE 22 Ca -0.45 -1.97 0.00 0.00 -1.37 0.00 0.00 64.86 61.07 1hjd h ILE 22 Cb 1.24 2.75 0.00 0.00 0.47 0.00 0.00 36.82 41.27 1hjd h ILE 22 CO 0.56 0.54 0.00 -1.54 -3.07 0.00 0.00 178.15 174.64 1hjd n SER 23 N -4.46 0.00 -4.30 2.19 3.41 -1.17 0.06 113.62 109.35 1hjd n SER 23 Ca -0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.20 1hjd n SER 23 Cb 0.53 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.17 2.27 -0.12 4.33 1.75 0.22 -2.74 119.30 124.85 1hjd s MET 24 Ca 0.00 -0.92 -0.08 0.00 -1.25 0.00 0.00 55.69 53.44 1hjd s MET 24 Cb 0.00 -2.09 0.04 0.00 2.84 0.00 0.00 34.83 35.62 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 -0.46 -0.71 0.09 4.11 0.00 -0.46 -1.89 121.76 122.44 1hjd s ALA 25 Ca 0.05 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1hjd s ALA 25 Cb -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1hjd s ALA 25 CO 0.01 -0.18 0.19 0.08 0.00 0.00 0.00 175.76 175.86 1hjd s VAL 26 N 0.80 5.15 0.21 0.00 1.01 -0.56 0.14 120.40 127.15 1hjd s VAL 26 Ca -0.05 -0.56 -0.32 0.00 0.00 0.00 0.00 61.98 61.05 1hjd s VAL 26 Cb -0.06 -3.54 -0.12 0.00 0.00 0.00 0.00 36.38 32.66 1hjd s VAL 26 CO -0.05 0.08 1.70 0.00 0.00 0.00 0.00 175.10 176.83 1hjd s ALA 27 N -1.54 3.91 -2.51 5.51 0.00 0.26 0.17 121.76 127.56 1hjd s ALA 27 Ca 0.33 1.57 0.23 0.00 0.00 0.00 0.00 51.96 54.10 1hjd s ALA 27 Cb -0.12 -3.69 0.56 0.00 0.00 0.00 0.00 23.12 19.87 1hjd s ALA 27 CO 0.27 -0.92 1.46 -0.11 0.00 0.00 0.00 175.76 176.46 1hjd n LEU 28 N 3.79 2.58 0.00 0.00 7.94 0.17 -3.99 117.00 127.49 1hjd n LEU 28 Ca 0.15 -1.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.01 1hjd n LEU 28 Cb 0.36 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1hjd n LEU 28 CO 0.64 0.52 0.00 0.00 -1.11 0.00 0.00 177.39 177.43 1hjd n GLN 29 N 0.95 -1.38 -2.10 1.96 1.13 -1.25 -4.90 117.38 111.78 1hjd n GLN 29 Ca 0.17 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.83 1hjd n GLN 29 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.82 1hjd n GLN 29 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1hjd s ASP 30 N 0.00 6.58 -0.47 1.08 2.15 -1.23 -3.98 116.67 120.80 1hjd s ASP 30 Ca 0.00 2.65 0.06 0.00 0.43 0.00 0.00 52.55 55.70 1hjd s ASP 30 Cb 0.00 -2.64 0.19 0.00 -0.30 0.00 0.00 42.92 40.16 1hjd s ASP 30 CO 0.00 -0.66 0.72 -0.47 -0.17 0.00 0.00 175.17 174.58 1hjd s TYR 31 N -1.21 -1.58 0.23 -5.34 5.04 0.29 -4.94 117.35 109.84 1hjd s TYR 31 Ca 0.52 -0.24 -0.30 0.00 -2.44 0.00 0.00 57.07 54.61 1hjd s TYR 31 Cb -0.38 0.30 -0.10 0.00 0.35 0.00 0.00 41.96 42.13 1hjd s TYR 31 CO 0.50 -1.18 1.47 1.41 -1.34 0.00 0.00 175.55 176.42 1hjd s MET 32 N 1.25 4.25 0.20 4.97 -2.45 -1.26 -1.06 119.30 125.21 1hjd s MET 32 Ca 0.24 2.32 -0.26 0.00 -1.25 0.00 0.00 55.69 56.74 1hjd s MET 32 Cb -0.01 -3.12 -0.16 0.00 1.25 0.00 0.00 34.83 32.79 1hjd s MET 32 CO -0.06 -0.47 0.46 0.00 1.05 0.00 0.00 175.02 176.00 1hjd n ALA 33 N 2.73 -2.79 0.01 4.11 0.00 -1.26 -4.86 120.51 118.45 1hjd n ALA 33 Ca 0.08 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1hjd n ALA 33 Cb 0.40 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 0.89 -0.25 0.00 0.00 0.11 -1.91 -3.48 132.00 127.37 1hjd h PRO 34 Ca -0.27 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1hjd h PRO 34 Cb 1.36 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.53 1hjd h PRO 34 CO 0.53 -0.16 0.00 -3.47 -0.21 0.00 0.00 178.00 174.69 1hjd n ASP 35 N -5.33 0.00 0.00 -2.05 2.03 -1.26 -5.06 116.55 104.88 1hjd n ASP 35 Ca -0.03 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.75 1hjd n ASP 35 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.00 0.00 -1.47 0.00 0.63 -1.26 -5.10 116.66 109.46 1hjd n ARG 37 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 1hjd n ARG 37 Cb 0.00 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.09 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 -3.95 -4.04 -0.14 3.72 -1.14 -5.06 117.46 106.84 1hjd n PHE 38 Ca 0.00 -0.96 -0.35 0.00 -0.05 0.00 0.00 57.45 56.09 1hjd n PHE 38 Cb 0.00 -0.89 -0.09 0.00 -0.94 0.00 0.00 39.48 37.56 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 3.89 0.46 4.37 0.20 -1.26 -4.71 118.68 121.62 1hjd s LEU 39 Ca 0.63 0.17 -0.12 0.00 0.69 0.00 0.00 54.13 55.50 1hjd s LEU 39 Cb -0.02 -1.96 -0.07 0.00 -0.43 0.00 0.00 46.19 43.71 1hjd s LEU 39 CO 0.45 0.26 0.86 0.28 -0.29 0.00 0.00 176.35 177.90 1hjd s THR 40 N -0.13 4.71 -0.25 3.68 -1.32 -1.26 -4.24 115.64 116.82 1hjd s THR 40 Ca 0.07 0.80 0.03 0.00 -1.21 0.00 0.00 61.69 61.38 1hjd s THR 40 Cb -0.12 -3.75 0.06 0.00 -1.51 0.00 0.00 72.50 67.18 1hjd s THR 40 CO 0.01 -0.64 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.04 1hjd s ILE 41 N -2.53 2.15 0.16 5.08 1.09 -0.22 -4.92 121.20 122.01 1hjd s ILE 41 Ca 0.54 -1.58 0.05 0.00 -1.10 0.00 0.00 60.65 58.55 1hjd s ILE 41 Cb -0.10 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 39.02 1hjd s ILE 41 CO 0.34 0.01 0.16 -2.28 -0.10 0.00 0.00 174.94 173.07 1hjd s HIS 42 N 1.12 3.21 0.93 3.97 2.46 -1.26 0.10 115.29 125.82 1hjd s HIS 42 Ca -0.08 0.01 -0.15 0.00 0.47 0.00 0.00 55.06 55.31 1hjd s HIS 42 Cb -0.19 -1.54 -0.07 0.00 -0.13 0.00 0.00 32.58 30.65 1hjd s HIS 42 CO -0.06 0.52 -0.17 0.54 -2.47 0.00 0.00 174.74 173.11 1hjd n ARG 43 N -0.34 -0.09 -4.03 2.88 5.12 -1.26 -3.07 116.66 115.88 1hjd n ARG 43 Ca -0.08 -0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.57 1hjd n ARG 43 Cb 0.54 -1.42 -0.03 0.00 -1.16 0.00 0.00 32.46 30.39 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 2.48 -0.22 2.73 -0.13 0.00 -1.26 -4.95 105.19 103.84 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 -6.71 0.66 0.68 1.61 0.74 -1.17 -4.96 119.66 110.51 1hjd s GLN 45 Ca 0.05 -0.58 -0.14 0.00 0.05 0.00 0.00 55.36 54.74 1hjd s GLN 45 Cb -0.03 -2.04 0.01 0.00 1.10 0.00 0.00 33.01 32.06 1hjd s GLN 45 CO 0.91 -0.74 1.11 0.08 -0.55 0.00 0.00 175.29 176.10 1hjd s VAL 46 N 1.81 3.26 0.19 1.34 1.01 -1.24 0.91 120.40 127.68 1hjd s VAL 46 Ca 0.02 0.55 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 1hjd s VAL 46 Cb -0.17 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1hjd s VAL 46 CO -0.13 -0.40 0.27 -0.69 0.00 0.00 0.00 175.10 174.14 1hjd s VAL 47 N -2.46 0.04 -0.33 2.92 1.01 0.38 -0.69 120.40 121.27 1hjd s VAL 47 Ca 0.66 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1hjd s VAL 47 Cb -0.20 -2.08 0.11 0.00 0.00 0.00 0.00 36.38 34.21 1hjd s VAL 47 CO 0.45 -0.19 0.15 -0.31 0.00 0.00 0.00 175.10 175.20 1hjd s TYR 48 N -4.03 1.23 0.14 5.22 2.02 0.17 -1.36 117.35 120.74 1hjd s TYR 48 Ca 0.24 -1.62 -0.31 0.00 -0.37 0.00 0.00 57.07 55.01 1hjd s TYR 48 Cb 0.04 -1.40 -0.08 0.00 -0.40 0.00 0.00 41.96 40.12 1hjd s TYR 48 CO 0.05 -0.84 1.34 0.08 -1.57 0.00 0.00 175.55 174.60 1hjd s VAL 49 N 1.42 3.35 -0.03 0.71 1.01 -1.11 -1.18 120.40 124.57 1hjd s VAL 49 Ca 0.12 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.18 1hjd s VAL 49 Cb -0.19 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1hjd s VAL 49 CO -0.19 0.11 0.08 0.49 0.00 0.00 0.00 175.10 175.59 1hjd n PHE 50 N 3.43 0.00 -3.83 5.22 3.72 -0.48 -0.73 117.46 124.80 1hjd n PHE 50 Ca 0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.38 1hjd n PHE 50 Cb 0.43 -0.22 -0.08 0.00 -0.94 0.00 0.00 39.48 38.67 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1hjd s SER 51 N -3.22 0.00 -0.42 4.37 0.01 -0.58 -4.44 113.70 109.43 1hjd s SER 51 Ca -0.03 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1hjd s SER 51 Cb 0.03 0.30 0.16 0.00 0.21 0.00 0.00 66.02 66.73 1hjd s SER 51 CO 0.25 -0.57 0.33 -1.59 0.41 0.00 0.00 173.24 172.07 1hjd s LYS 52 N -2.56 0.97 0.11 12.44 -2.85 -1.26 0.12 119.74 126.71 1hjd s LYS 52 Ca -0.05 -2.07 -0.31 0.00 -1.00 0.00 0.00 55.97 52.54 1hjd s LYS 52 Cb -0.01 -1.57 -0.10 0.00 -2.06 0.00 0.00 37.83 34.09 1hjd s LYS 52 CO -0.04 -1.35 1.86 -0.11 0.10 0.00 0.00 175.35 175.82 1hjd n LEU 53 N 2.99 4.09 0.00 2.77 0.00 -1.26 -4.09 117.00 121.51 1hjd n LEU 53 Ca 0.26 0.97 0.00 0.00 0.00 0.00 0.00 56.01 57.24 1hjd n LEU 53 Cb 0.45 -1.55 0.00 0.00 0.00 0.00 0.00 43.42 42.32 1hjd n LEU 53 CO 0.11 0.19 0.00 2.29 0.00 0.00 0.00 177.39 179.98 1hjd n LYS 54 N 5.94 1.70 -1.51 1.96 2.85 -1.13 -0.91 118.16 127.05 1hjd n LYS 54 Ca 0.18 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.26 1hjd n LYS 54 Cb 0.38 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.68 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 3.51 1.70 0.00 2.58 0.00 -1.26 -3.64 105.19 108.09 1hjd n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.98 0.00 -1.13 1.61 1.74 -1.26 -3.91 116.66 111.73 1hjd n ARG 56 Ca -0.18 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.95 1hjd n ARG 56 Cb 0.64 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.15 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 0.00 2.23 0.41 -0.13 0.00 -1.24 -4.85 105.19 101.60 1hjd n GLY 57 Ca 0.00 -0.92 0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 0.89 0.39 0.00 1.61 2.43 -1.26 0.78 114.38 119.21 1hjd h ARG 58 Ca -0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1hjd h ARG 58 Cb 1.58 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1hjd h ARG 58 CO 0.06 0.26 0.00 1.47 -1.51 0.00 0.00 179.97 180.25 1hjd n LEU 59 N -4.54 0.00 -3.94 3.80 -0.00 -1.26 -4.21 117.00 106.85 1hjd n LEU 59 Ca 0.21 0.38 -0.30 0.00 -0.00 0.00 0.00 56.01 56.31 1hjd n LEU 59 Cb 0.77 -0.38 -0.14 0.00 -0.00 0.00 0.00 43.42 43.67 1hjd n LEU 59 CO 0.29 -0.17 -0.18 0.12 -0.00 0.00 0.00 177.39 177.45 1hjd s PHE 60 N -2.77 3.12 0.19 1.47 5.36 0.27 -1.71 117.98 123.91 1hjd s PHE 60 Ca 0.12 -3.14 -0.25 0.00 -0.96 0.00 0.00 56.93 52.71 1hjd s PHE 60 Cb 0.11 -2.77 -0.08 0.00 -0.34 0.00 0.00 43.02 39.94 1hjd s PHE 60 CO 0.27 -0.74 0.79 -1.58 -1.46 0.00 0.00 175.22 172.50 1hjd s TRP 61 N -0.27 3.85 -0.05 10.12 0.52 -0.45 -4.03 118.94 128.63 1hjd s TRP 61 Ca 0.17 1.62 -0.14 0.00 0.02 0.00 0.00 56.10 57.77 1hjd s TRP 61 Cb -0.26 -2.77 -0.05 0.00 -1.15 0.00 0.00 33.47 29.24 1hjd s TRP 61 CO -0.00 0.46 0.36 0.20 0.02 0.00 0.00 176.95 177.99 1hjd s GLY 62 N -1.28 2.39 0.00 0.98 0.00 0.33 0.09 107.32 109.83 1hjd s GLY 62 Ca 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1hjd s GLY 62 CO 0.25 0.16 0.00 0.61 0.00 0.00 0.00 173.10 174.12 1hjd n GLY 63 N 2.16 2.46 3.52 0.20 0.00 0.13 -1.38 105.19 112.28 1hjd n GLY 63 Ca -0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 2.00 -0.84 0.45 1.61 1.04 -0.32 0.18 113.70 117.83 1hjd s SER 64 Ca 0.00 1.37 -0.22 0.00 0.48 0.00 0.00 55.95 57.58 1hjd s SER 64 Cb 0.00 1.77 -0.08 0.00 0.10 0.00 0.00 66.02 67.81 1hjd s SER 64 CO 0.00 -0.22 1.06 0.68 0.98 0.00 0.00 173.24 175.74 1hjd s VAL 65 N 2.47 3.65 0.05 5.02 -7.23 -1.26 0.45 120.40 123.54 1hjd s VAL 65 Ca -0.06 1.13 0.08 0.00 -1.81 0.00 0.00 61.98 61.32 1hjd s VAL 65 Cb -0.10 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1hjd s VAL 65 CO -0.17 -0.12 -0.22 0.00 -0.31 0.00 0.00 175.10 174.28 1hjd s GLN 66 N -2.90 1.49 0.00 4.82 -2.07 0.14 -4.86 119.66 116.28 1hjd s GLN 66 Ca 0.64 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 1hjd s GLN 66 Cb -0.20 -1.63 0.00 0.00 -1.09 0.00 0.00 33.01 30.09 1hjd s GLN 66 CO 0.25 0.42 0.00 0.41 -1.32 0.00 0.00 175.29 175.05 1hjd n GLY 67 N 1.81 -0.98 3.69 2.60 0.00 -1.26 -3.68 105.19 107.37 1hjd n GLY 67 Ca -0.17 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1hjd n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hjd s ASP 68 N 0.00 6.81 0.44 1.61 2.15 -1.26 -5.01 116.67 121.41 1hjd s ASP 68 Ca 0.00 2.20 0.03 0.00 0.43 0.00 0.00 52.55 55.21 1hjd s ASP 68 Cb 0.00 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1hjd s ASP 68 CO 0.00 -0.73 0.05 -0.31 -0.17 0.00 0.00 175.17 174.01 1hjd s TYR 69 N 2.23 1.95 -0.70 -5.34 2.02 -1.26 -5.07 117.35 111.18 1hjd s TYR 69 Ca 0.65 -1.02 -0.27 0.00 -0.37 0.00 0.00 57.07 56.07 1hjd s TYR 69 Cb -0.33 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1hjd s TYR 69 CO 0.28 0.07 1.59 -0.47 -1.57 0.00 0.00 175.55 175.44 1hjd s TYR 70 N -3.01 1.98 0.00 2.71 5.04 -1.26 -3.90 117.35 118.90 1hjd s TYR 70 Ca 0.20 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 1hjd s TYR 70 Cb 0.04 -4.36 0.00 0.00 0.35 0.00 0.00 41.96 38.00 1hjd s TYR 70 CO 0.10 -2.17 0.00 0.41 -1.34 0.00 0.00 175.55 172.55 1hjd n GLY 71 N 5.64 -0.08 0.00 8.97 0.00 -1.26 -5.06 105.19 113.40 1hjd n GLY 71 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.78 0.00 -4.71 1.61 8.00 -1.25 -5.15 116.55 114.27 1hjd n ASP 72 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1hjd n ASP 72 Cb 0.38 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.00 4.30 0.00 0.64 1.43 -1.26 -4.58 118.68 119.21 1hjd s LEU 73 Ca 0.00 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1hjd s LEU 73 Cb 0.00 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1hjd s LEU 73 CO 0.00 -0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.44 1hjd n ALA 74 N 3.93 0.00 -3.84 4.21 0.00 -1.26 -5.15 120.51 118.40 1hjd n ALA 74 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 1hjd n ALA 74 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 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 2.59 -0.16 0.00 0.00 -1.26 -5.05 121.76 117.88 1hjd s ALA 75 Ca 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 1hjd s ALA 75 Cb 0.00 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.63 1hjd s ALA 75 CO 0.00 -0.67 0.43 0.50 0.00 0.00 0.00 175.76 176.02 1hjd s ARG 76 N 1.31 0.49 -0.04 0.00 6.06 -1.26 -5.13 118.95 120.38 1hjd s ARG 76 Ca 0.01 0.62 -0.30 0.00 -2.50 0.00 0.00 55.73 53.57 1hjd s ARG 76 Cb -0.16 0.21 -0.06 0.00 0.06 0.00 0.00 34.95 35.01 1hjd s ARG 76 CO -0.07 -0.07 1.57 -1.17 -2.50 0.00 0.00 175.30 173.06 1hjd s LEU 77 N 0.38 4.31 0.27 -0.88 2.96 -1.26 -4.59 118.68 119.87 1hjd s LEU 77 Ca -0.01 2.20 0.09 0.00 -0.22 0.00 0.00 54.13 56.19 1hjd s LEU 77 Cb -0.04 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1hjd s LEU 77 CO -0.01 -0.87 0.02 -0.83 -1.32 0.00 0.00 176.35 173.35 1hjd s GLY 78 N 2.81 1.66 -0.17 7.98 0.00 0.13 -4.88 107.32 114.84 1hjd s GLY 78 Ca 0.70 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1hjd s GLY 78 CO 0.28 -1.70 -0.17 -0.19 0.00 0.00 0.00 173.10 171.32 1hjd s TYR 79 N -2.32 2.52 0.06 1.90 1.51 -1.26 0.21 117.35 119.98 1hjd s TYR 79 Ca 0.32 -1.49 -0.25 0.00 -1.01 0.00 0.00 57.07 54.64 1hjd s TYR 79 Cb -0.06 -1.77 0.07 0.00 -0.11 0.00 0.00 41.96 40.08 1hjd s TYR 79 CO 0.21 -0.75 0.60 -0.59 -1.11 0.00 0.00 175.55 173.91 1hjd s PHE 80 N 1.37 -0.55 0.42 2.71 -0.71 0.11 -4.82 117.98 116.53 1hjd s PHE 80 Ca 0.04 0.62 -0.26 0.00 -1.04 0.00 0.00 56.93 56.29 1hjd s PHE 80 Cb -0.13 0.45 -0.10 0.00 -1.21 0.00 0.00 43.02 42.03 1hjd s PHE 80 CO -0.12 -0.72 1.35 -0.35 -1.34 0.00 0.00 175.22 174.05 1hjd n PRO 81 N 0.23 2.14 0.13 1.99 -0.04 -0.70 -1.34 135.00 137.41 1hjd n PRO 81 Ca -0.18 0.76 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 1hjd n PRO 81 Cb 0.61 -2.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.28 0.00 -0.14 3.54 0.87 -1.89 -3.21 113.55 115.00 1hjd h SER 82 Ca -0.49 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.11 1hjd h SER 82 Cb 1.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1hjd h SER 82 CO 0.61 0.00 0.28 0.28 -0.53 0.00 0.00 176.83 177.47 1hjd h SER 83 N 0.00 0.00 -0.78 6.23 0.02 -1.92 0.12 113.55 117.22 1hjd h SER 83 Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 1hjd h SER 83 Cb 0.60 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.99 1hjd h SER 83 CO 0.00 0.00 0.32 0.00 -1.14 0.00 0.00 176.83 176.01 1hjd n ILE 84 N -3.36 2.99 -3.99 3.27 0.13 -1.21 -4.90 119.36 112.28 1hjd n ILE 84 Ca 0.01 -1.66 -0.10 0.00 -1.10 0.00 0.00 62.75 59.90 1hjd n ILE 84 Cb 0.38 -0.37 -0.07 0.00 -0.84 0.00 0.00 39.64 38.74 1hjd n ILE 84 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 1hjd s VAL 85 N -3.03 0.05 -0.25 9.51 -7.23 0.42 0.41 120.40 120.27 1hjd s VAL 85 Ca 0.56 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 1hjd s VAL 85 Cb 0.45 -1.97 0.08 0.00 0.56 0.00 0.00 36.38 35.49 1hjd s VAL 85 CO 0.14 -0.21 0.04 -0.60 -0.31 0.00 0.00 175.10 174.16 1hjd s ARG 86 N -4.00 0.89 -0.19 4.82 6.06 0.44 -4.65 118.95 122.33 1hjd s ARG 86 Ca 0.20 -0.84 -0.29 0.00 -2.50 0.00 0.00 55.73 52.30 1hjd s ARG 86 Cb 0.03 -2.19 -0.03 0.00 0.06 0.00 0.00 34.95 32.82 1hjd s ARG 86 CO 0.03 -0.78 1.64 -1.21 -2.50 0.00 0.00 175.30 172.47 1hjd s GLU 87 N 1.64 3.84 -0.25 5.12 2.02 -1.26 -1.50 118.70 128.31 1hjd s GLU 87 Ca 0.03 1.76 -0.13 0.00 0.02 0.00 0.00 54.97 56.65 1hjd s GLU 87 Cb -0.18 -4.04 -0.11 0.00 0.10 0.00 0.00 34.13 29.91 1hjd s GLU 87 CO -0.15 -1.24 -0.32 -3.47 0.02 0.00 0.00 175.26 170.10 1hjd n ASP 88 N 8.32 1.77 -4.82 -0.19 2.03 -0.79 -4.95 116.55 117.92 1hjd n ASP 88 Ca 0.19 0.31 -0.31 0.00 0.52 0.00 0.00 54.79 55.50 1hjd n ASP 88 Cb 0.45 -0.73 -0.06 0.00 -0.72 0.00 0.00 41.12 40.06 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 -2.48 3.05 0.03 -0.67 0.74 -1.21 -4.99 119.66 114.12 1hjd s GLN 89 Ca -0.35 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.46 1hjd s GLN 89 Cb 0.13 -2.82 -0.02 0.00 1.10 0.00 0.00 33.01 31.40 1hjd s GLN 89 CO 0.44 0.58 -0.05 0.95 -0.55 0.00 0.00 175.29 176.66 1hjd s THR 90 N -1.42 0.32 0.00 -0.34 -4.23 -1.26 0.72 115.64 109.42 1hjd s THR 90 Ca 0.31 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1hjd s THR 90 Cb -0.12 -0.42 0.08 0.00 1.34 0.00 0.00 72.50 73.38 1hjd s THR 90 CO 0.24 -0.41 0.87 -0.11 -0.54 0.00 0.00 174.62 174.66 1hjd n LEU 91 N 1.62 -0.08 -4.49 4.79 0.00 -1.12 -4.91 117.00 112.81 1hjd n LEU 91 Ca -0.23 -1.45 -0.44 0.00 0.00 0.00 0.00 56.01 53.89 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 0.87 1.97 0.29 0.00 0.00 0.00 177.39 180.72 1hjd n LYS 92 N 0.09 0.83 0.00 1.96 5.02 0.11 -4.73 118.16 121.44 1hjd n LYS 92 Ca -0.06 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.15 1hjd n LYS 92 Cb 0.72 -2.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.05 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 14.44 0.23 -4.79 1.97 0.13 -1.83 -3.49 132.00 138.67 1hjd h PRO 93 Ca -0.21 -0.39 -0.27 0.00 -0.87 0.00 0.00 66.00 64.25 1hjd h PRO 93 Cb 1.30 0.15 -0.15 0.00 0.13 0.00 0.00 31.00 32.43 1hjd h PRO 93 CO 1.14 1.19 -0.68 0.20 -0.23 0.00 0.00 178.00 179.62 1hjd s GLY 94 N -5.01 1.05 -0.37 1.56 0.00 -1.26 -4.88 107.32 98.41 1hjd s GLY 94 Ca -0.21 -1.50 0.13 0.00 0.00 0.00 0.00 44.72 43.14 1hjd s GLY 94 CO 0.76 -1.51 1.17 0.58 0.00 0.00 0.00 173.10 174.09 1hjd n LYS 95 N -0.17 1.16 -3.39 2.90 2.85 -1.12 -3.78 118.16 116.62 1hjd n LYS 95 Ca -0.09 -2.44 -0.38 0.00 -1.05 0.00 0.00 58.31 54.35 1hjd n LYS 95 Cb 0.62 -0.60 -0.06 0.00 -0.65 0.00 0.00 35.03 34.34 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 -1.21 4.88 0.52 0.58 1.01 0.54 -4.75 120.40 121.97 1hjd s VAL 96 Ca 0.24 1.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.07 1hjd s VAL 96 Cb 0.42 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1hjd s VAL 96 CO -0.04 0.57 1.02 -0.62 0.00 0.00 0.00 175.10 176.03 1hjd s ASP 97 N -1.09 6.29 -0.24 3.32 -1.08 -1.26 0.95 116.67 123.56 1hjd s ASP 97 Ca 0.26 1.78 -0.03 0.00 -0.52 0.00 0.00 52.55 54.04 1hjd s ASP 97 Cb -0.18 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.85 1hjd s ASP 97 CO 0.16 -0.81 0.23 -0.69 0.52 0.00 0.00 175.17 174.58 1hjd s VAL 98 N -2.31 -0.31 0.35 1.11 1.01 0.46 -4.84 120.40 115.85 1hjd s VAL 98 Ca 0.63 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 1hjd s VAL 98 Cb -0.14 -0.82 -0.11 0.00 0.00 0.00 0.00 36.38 35.31 1hjd s VAL 98 CO 0.27 -0.36 1.51 -1.59 0.00 0.00 0.00 175.10 174.93 1hjd s LYS 99 N 2.30 4.13 0.74 2.72 -2.85 -1.26 -0.79 119.74 124.73 1hjd s LYS 99 Ca 0.08 2.55 -0.12 0.00 -1.00 0.00 0.00 55.97 57.49 1hjd s LYS 99 Cb -0.15 -2.99 0.04 0.00 -2.06 0.00 0.00 37.83 32.66 1hjd s LYS 99 CO -0.22 -0.55 1.12 0.99 0.10 0.00 0.00 175.35 176.79 1hjd s THR 100 N -0.75 3.01 0.14 3.79 2.01 0.63 -4.89 115.64 119.57 1hjd s THR 100 Ca 0.56 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1hjd s THR 100 Cb -0.47 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1hjd s THR 100 CO 0.58 -0.43 0.00 0.47 -0.69 0.00 0.00 174.62 174.55 1hjd n ASP 101 N -3.11 0.40 -3.05 3.53 9.92 -1.26 -4.96 116.55 118.02 1hjd n ASP 101 Ca 0.07 0.22 -0.09 0.00 -0.53 0.00 0.00 54.79 54.47 1hjd n ASP 101 Cb 0.58 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.15 1hjd n ASP 101 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1hjd n LYS 102 N -3.24 -2.77 0.08 -1.24 4.76 -1.26 -4.79 118.16 109.71 1hjd n LYS 102 Ca 0.00 -0.41 0.06 0.00 -2.87 0.00 0.00 58.31 55.09 1hjd n LYS 102 Cb 0.00 -0.53 0.32 0.00 -1.84 0.00 0.00 35.03 32.98 1hjd n LYS 102 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1hjd n TRP 103 N -3.78 0.39 -2.38 2.13 7.02 -1.26 -4.82 117.44 114.75 1hjd n TRP 103 Ca 0.04 0.20 -0.18 0.00 -1.02 0.00 0.00 57.50 56.54 1hjd n TRP 103 Cb 0.17 -0.81 -0.01 0.00 -2.42 0.00 0.00 31.31 28.24 1hjd n TRP 103 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1hjd n ASP 104 N -1.89 -5.20 -3.64 -0.99 2.03 -1.26 -4.97 116.55 100.63 1hjd n ASP 104 Ca -0.00 -0.03 -0.10 0.00 0.52 0.00 0.00 54.79 55.17 1hjd n ASP 104 Cb 0.04 -4.26 -0.07 0.00 -0.72 0.00 0.00 41.12 36.11 1hjd n ASP 104 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1hjd s PHE 105 N -2.90 -0.70 -0.32 -0.67 2.19 -1.26 -5.13 117.98 109.18 1hjd s PHE 105 Ca 0.02 1.62 -0.01 0.00 0.33 0.00 0.00 56.93 58.89 1hjd s PHE 105 Cb -0.01 0.36 0.11 0.00 -1.31 0.00 0.00 43.02 42.17 1hjd s PHE 105 CO 0.02 -0.34 0.12 -0.47 1.83 0.00 0.00 175.22 176.39 1hjd s TYR 106 N 0.59 1.54 -0.28 10.12 5.04 -1.26 -5.10 117.35 128.00 1hjd s TYR 106 Ca -0.01 -1.71 -0.37 0.00 -2.44 0.00 0.00 57.07 52.53 1hjd s TYR 106 Cb -0.05 -1.60 0.16 0.00 0.35 0.00 0.00 41.96 40.82 1hjd s TYR 106 CO -0.06 -0.86 1.36 0.00 -1.34 0.00 0.00 175.55 174.65