#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 5.79 0.11 0.00 -1.08 -1.26 -4.54 116.67 115.68 1hjd s ASP 9 Ca 0.00 -0.80 0.04 0.00 -0.52 0.00 0.00 52.55 51.26 1hjd s ASP 9 Cb 0.00 -2.05 -0.04 0.00 -1.46 0.00 0.00 42.92 39.37 1hjd s ASP 9 CO 0.00 -0.33 -0.10 0.00 0.52 0.00 0.00 175.17 175.26 1hjd s ARG 10 N 1.61 0.89 -0.10 4.34 1.70 -1.26 -2.25 118.95 123.87 1hjd s ARG 10 Ca 0.04 -1.24 -0.11 0.00 -0.47 0.00 0.00 55.73 53.94 1hjd s ARG 10 Cb -0.18 -0.50 0.03 0.00 -0.57 0.00 0.00 34.95 33.72 1hjd s ARG 10 CO 0.08 0.06 0.30 0.21 -1.08 0.00 0.00 175.30 174.87 1hjd s LYS 11 N -3.15 0.38 0.10 3.89 2.20 -0.57 -3.67 119.74 118.93 1hjd s LYS 11 Ca 0.09 0.36 -0.20 0.00 -0.36 0.00 0.00 55.97 55.86 1hjd s LYS 11 Cb -0.01 0.18 -0.07 0.00 -1.51 0.00 0.00 37.83 36.43 1hjd s LYS 11 CO -0.01 -0.05 0.61 -0.51 -0.36 0.00 0.00 175.35 175.03 1hjd s LEU 12 N 0.02 4.51 0.19 5.43 1.02 -1.26 0.16 118.68 128.75 1hjd s LEU 12 Ca -0.01 1.32 0.11 0.00 0.02 0.00 0.00 54.13 55.57 1hjd s LEU 12 Cb -0.02 -3.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.11 1hjd s LEU 12 CO 0.01 0.24 -0.21 0.00 0.02 0.00 0.00 176.35 176.40 1hjd n ALA 14 N 0.27 6.72 0.00 0.00 0.00 -1.25 -1.14 120.51 125.11 1hjd n ALA 14 Ca -0.13 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.80 1hjd n ALA 14 Cb 0.56 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 3.03 0.00 -0.08 0.00 9.92 -1.26 -3.63 116.55 124.53 1hjd n ASP 15 Ca 0.57 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.70 1hjd n ASP 15 Cb 0.58 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.98 1hjd n ASP 15 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1hjd h GLN 16 N 0.00 0.00 0.00 -1.24 7.50 -1.94 -3.31 115.11 116.13 1hjd h GLN 16 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1hjd h GLN 16 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1hjd h GLN 16 CO 0.00 0.62 0.00 0.39 -1.50 0.00 0.00 178.83 178.34 1hjd n GLU 17 N -4.54 0.55 -2.50 1.46 -0.58 -1.26 -4.96 120.64 108.81 1hjd n GLU 17 Ca -0.19 0.02 -0.04 0.00 -0.42 0.00 0.00 57.16 56.54 1hjd n GLU 17 Cb 0.47 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1hjd n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hjd n SER 19 N 0.03 -0.87 -4.00 0.00 7.64 -1.26 -5.03 113.62 110.13 1hjd n SER 19 Ca 0.05 -1.70 -0.08 0.00 1.01 0.00 0.00 58.87 58.16 1hjd n SER 19 Cb 0.20 0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.07 0.36 0.68 1.43 3.76 -1.26 -5.05 115.29 115.29 1hjd s HIS 20 Ca 0.06 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 54.03 1hjd s HIS 20 Cb 0.24 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.68 1hjd s HIS 20 CO -0.07 -0.41 1.06 -1.25 -0.85 0.00 0.00 174.74 173.22 1hjd s PRO 21 N -3.57 2.95 -0.19 8.40 0.04 -1.26 -4.06 135.00 137.32 1hjd s PRO 21 Ca 0.03 1.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 1hjd s PRO 21 Cb 0.05 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1hjd s PRO 21 CO -0.09 -1.09 -0.21 1.51 0.04 0.00 0.00 177.00 177.16 1hjd n ILE 22 N -2.92 1.05 -3.06 0.56 0.13 -0.85 -4.13 119.36 110.14 1hjd n ILE 22 Ca 0.08 -0.33 0.00 0.00 -1.10 0.00 0.00 62.75 61.40 1hjd n ILE 22 Cb 0.53 -1.49 0.00 0.00 -0.84 0.00 0.00 39.64 37.85 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 -3.49 0.00 -3.93 9.51 3.41 -1.12 0.13 113.62 118.13 1hjd n SER 23 Ca -0.35 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.08 1hjd n SER 23 Cb 0.80 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.11 0.54 0.00 4.33 1.75 0.03 -2.10 119.30 123.74 1hjd s MET 24 Ca 0.00 -0.14 -0.01 0.00 -1.25 0.00 0.00 55.69 54.29 1hjd s MET 24 Cb 0.00 -0.56 -0.01 0.00 2.84 0.00 0.00 34.83 37.10 1hjd s MET 24 CO 0.00 0.03 0.01 0.00 -0.65 0.00 0.00 175.02 174.41 1hjd s ALA 25 N 0.32 -0.01 0.10 4.11 0.00 0.63 -1.39 121.76 125.53 1hjd s ALA 25 Ca -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1hjd s ALA 25 Cb -0.07 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1hjd s ALA 25 CO -0.00 -0.09 0.19 0.08 0.00 0.00 0.00 175.76 175.94 1hjd s VAL 26 N -0.71 5.09 -0.00 0.00 1.01 -0.21 0.16 120.40 125.73 1hjd s VAL 26 Ca -0.08 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1hjd s VAL 26 Cb -0.05 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1hjd s VAL 26 CO -0.00 0.04 1.63 0.00 0.00 0.00 0.00 175.10 176.77 1hjd s ALA 27 N -1.58 3.63 -2.30 5.51 0.00 0.26 0.12 121.76 127.39 1hjd s ALA 27 Ca 0.33 1.03 0.29 0.00 0.00 0.00 0.00 51.96 53.61 1hjd s ALA 27 Cb -0.12 -3.71 1.33 0.00 0.00 0.00 0.00 23.12 20.62 1hjd s ALA 27 CO 0.26 -1.24 1.90 -0.11 0.00 0.00 0.00 175.76 176.58 1hjd n LEU 28 N 6.38 0.95 0.00 0.00 7.94 0.30 -3.73 117.00 128.84 1hjd n LEU 28 Ca 0.16 -0.32 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1hjd n LEU 28 Cb 0.42 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1hjd n LEU 28 CO 0.62 0.16 0.00 0.00 -1.11 0.00 0.00 177.39 177.06 1hjd n GLN 29 N -0.25 0.00 -2.38 1.96 1.13 -1.23 -4.96 117.38 111.65 1hjd n GLN 29 Ca 0.20 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.90 1hjd n GLN 29 Cb 0.26 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.59 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 6.42 -0.42 1.08 -1.08 -1.26 -4.00 116.67 117.41 1hjd s ASP 30 Ca 0.00 2.20 0.07 0.00 -0.52 0.00 0.00 52.55 54.29 1hjd s ASP 30 Cb 0.00 -2.60 0.18 0.00 -1.46 0.00 0.00 42.92 39.05 1hjd s ASP 30 CO 0.00 -0.74 0.67 -0.47 0.52 0.00 0.00 175.17 175.15 1hjd s TYR 31 N -1.59 -1.63 -0.02 -5.34 5.04 0.17 -4.91 117.35 109.07 1hjd s TYR 31 Ca 0.61 0.13 -0.30 0.00 -2.44 0.00 0.00 57.07 55.07 1hjd s TYR 31 Cb -0.26 0.30 -0.07 0.00 0.35 0.00 0.00 41.96 42.29 1hjd s TYR 31 CO 0.32 -1.13 1.70 0.00 -1.34 0.00 0.00 175.55 175.10 1hjd s MET 32 N 1.71 4.18 0.94 4.97 0.23 -1.26 -1.53 119.30 128.54 1hjd s MET 32 Ca 0.18 2.28 -0.17 0.00 -1.03 0.00 0.00 55.69 56.96 1hjd s MET 32 Cb -0.03 -3.95 -0.15 0.00 -1.53 0.00 0.00 34.83 29.18 1hjd s MET 32 CO -0.07 -0.84 -0.74 0.00 -2.03 0.00 0.00 175.02 171.33 1hjd n ALA 33 N 6.92 -5.28 -0.14 3.16 0.00 -1.26 -4.88 120.51 119.04 1hjd n ALA 33 Ca 0.17 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.88 1hjd n ALA 33 Cb 0.42 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1hjd n ALA 33 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hjd h PRO 34 N -0.91 0.73 0.00 0.00 0.13 -1.97 -3.48 132.00 126.50 1hjd h PRO 34 Ca -0.42 -0.23 0.14 0.00 -0.87 0.00 0.00 66.00 64.61 1hjd h PRO 34 Cb 1.27 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1hjd h PRO 34 CO 0.23 0.81 0.36 -0.25 -0.23 0.00 0.00 178.00 178.92 1hjd n ASP 35 N -4.43 -0.46 -1.97 1.44 8.00 -1.26 -5.00 116.55 112.88 1hjd n ASP 35 Ca -0.01 -1.09 -0.18 0.00 0.71 0.00 0.00 54.79 54.22 1hjd n ASP 35 Cb 0.29 0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 42.08 1hjd n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hjd n ARG 37 N -2.70 -1.91 0.00 0.00 1.85 -1.26 -4.91 116.66 107.73 1hjd n ARG 37 Ca -0.21 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1hjd n ARG 37 Cb 0.65 -4.89 0.00 0.00 -1.05 0.00 0.00 32.46 27.17 1hjd n ARG 37 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1hjd n PHE 38 N -4.14 -1.88 -3.01 2.89 3.01 -1.09 -4.90 117.46 108.35 1hjd n PHE 38 Ca 0.10 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.12 1hjd n PHE 38 Cb 0.47 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.89 1hjd n PHE 38 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1hjd s LEU 39 N 0.00 4.71 0.82 4.37 1.98 -1.26 -4.82 118.68 124.48 1hjd s LEU 39 Ca 0.00 -0.88 -0.12 0.00 -2.89 0.00 0.00 54.13 50.24 1hjd s LEU 39 Cb 0.00 -2.51 0.08 0.00 0.66 0.00 0.00 46.19 44.42 1hjd s LEU 39 CO 0.00 -1.13 1.10 0.28 -1.89 0.00 0.00 176.35 174.72 1hjd s THR 40 N 3.26 2.88 0.04 3.68 -1.32 -1.26 -4.66 115.64 118.25 1hjd s THR 40 Ca 0.20 0.28 0.06 0.00 -1.21 0.00 0.00 61.69 61.02 1hjd s THR 40 Cb -0.18 -3.04 -0.03 0.00 -1.51 0.00 0.00 72.50 67.74 1hjd s THR 40 CO 0.12 -0.37 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.39 1hjd s ILE 41 N -3.19 3.06 0.01 5.08 1.01 -0.58 -4.94 121.20 121.66 1hjd s ILE 41 Ca 0.61 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1hjd s ILE 41 Cb -0.14 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1hjd s ILE 41 CO 0.54 0.31 -0.02 -2.28 0.00 0.00 0.00 174.94 173.49 1hjd s HIS 42 N -0.99 0.15 0.86 3.97 2.46 -1.26 0.44 115.29 120.92 1hjd s HIS 42 Ca 0.16 -0.27 -0.16 0.00 0.47 0.00 0.00 55.06 55.26 1hjd s HIS 42 Cb -0.11 -0.11 -0.09 0.00 -0.13 0.00 0.00 32.58 32.14 1hjd s HIS 42 CO 0.07 -0.09 -0.22 0.54 -2.47 0.00 0.00 174.74 172.57 1hjd n ARG 43 N 2.32 -0.01 -4.22 2.88 5.12 -1.26 -2.60 116.66 118.90 1hjd n ARG 43 Ca -0.18 0.02 -0.34 0.00 -1.93 0.00 0.00 57.85 55.41 1hjd n ARG 43 Cb 0.57 -1.31 -0.04 0.00 -1.16 0.00 0.00 32.46 30.52 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 2.61 -0.37 2.91 -0.13 0.00 -1.24 -4.94 105.19 104.04 1hjd n GLY 44 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.94 1.54 0.75 1.61 0.74 -1.07 -4.97 119.66 111.32 1hjd s GLN 45 Ca 0.54 -0.81 -0.11 0.00 0.05 0.00 0.00 55.36 55.03 1hjd s GLN 45 Cb -0.30 -2.39 0.05 0.00 1.10 0.00 0.00 33.01 31.47 1hjd s GLN 45 CO 0.94 -0.54 1.10 0.08 -0.55 0.00 0.00 175.29 176.31 1hjd s VAL 46 N 1.50 3.30 0.12 1.34 1.01 -1.26 0.89 120.40 127.29 1hjd s VAL 46 Ca -0.03 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1hjd s VAL 46 Cb -0.18 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1hjd s VAL 46 CO -0.07 -0.52 0.29 -0.69 0.00 0.00 0.00 175.10 174.11 1hjd s VAL 47 N -2.78 0.10 -0.30 2.92 1.01 0.42 -0.15 120.40 121.61 1hjd s VAL 47 Ca 0.62 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1hjd s VAL 47 Cb -0.18 -1.37 0.10 0.00 0.00 0.00 0.00 36.38 34.93 1hjd s VAL 47 CO 0.53 -0.46 0.09 -0.31 0.00 0.00 0.00 175.10 174.95 1hjd s TYR 48 N -3.86 1.68 0.17 5.22 2.02 0.32 -0.27 117.35 122.63 1hjd s TYR 48 Ca 0.06 -1.69 -0.30 0.00 -0.37 0.00 0.00 57.07 54.77 1hjd s TYR 48 Cb 0.03 -1.67 -0.08 0.00 -0.40 0.00 0.00 41.96 39.84 1hjd s TYR 48 CO -0.09 -0.86 1.30 0.08 -1.57 0.00 0.00 175.55 174.40 1hjd s VAL 49 N 1.63 3.36 -0.09 0.71 1.01 -0.89 -0.97 120.40 125.15 1hjd s VAL 49 Ca 0.09 1.08 0.15 0.00 0.00 0.00 0.00 61.98 63.30 1hjd s VAL 49 Cb -0.17 -3.69 -0.23 0.00 0.00 0.00 0.00 36.38 32.29 1hjd s VAL 49 CO -0.24 0.14 0.20 0.33 0.00 0.00 0.00 175.10 175.54 1hjd n PHE 50 N 2.98 0.00 -3.69 5.22 7.35 -0.15 -2.01 117.46 127.16 1hjd n PHE 50 Ca 0.07 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.70 1hjd n PHE 50 Cb 0.43 -0.59 -0.02 0.00 0.35 0.00 0.00 39.48 39.65 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1hjd s SER 51 N -4.47 -0.27 -0.36 -2.13 0.01 -0.54 -4.25 113.70 101.69 1hjd s SER 51 Ca -0.07 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1hjd s SER 51 Cb 0.08 0.53 0.14 0.00 0.21 0.00 0.00 66.02 66.97 1hjd s SER 51 CO 0.67 -0.94 0.21 -1.59 0.41 0.00 0.00 173.24 172.00 1hjd s LYS 52 N -3.43 0.66 0.00 12.44 0.00 -1.25 -1.05 119.74 127.12 1hjd s LYS 52 Ca 0.09 -1.39 -0.30 0.00 0.00 0.00 0.00 55.97 54.37 1hjd s LYS 52 Cb -0.02 -1.48 -0.07 0.00 0.00 0.00 0.00 37.83 36.26 1hjd s LYS 52 CO -0.01 -1.19 1.69 -1.17 0.00 0.00 0.00 175.35 174.67 1hjd s LEU 53 N 1.02 4.35 0.00 2.77 0.20 -1.25 -4.22 118.68 121.55 1hjd s LEU 53 Ca 0.17 2.37 0.00 0.00 0.69 0.00 0.00 54.13 57.37 1hjd s LEU 53 Cb -0.23 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 41.99 1hjd s LEU 53 CO -0.02 -0.92 0.00 2.29 -0.29 0.00 0.00 176.35 177.41 1hjd n LYS 54 N 6.60 2.22 0.00 1.98 2.85 -1.24 -1.90 118.16 128.68 1hjd n LYS 54 Ca 0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1hjd n LYS 54 Cb 0.42 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.80 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 4.18 1.22 0.00 2.58 0.00 -1.26 -3.44 105.19 108.48 1hjd n GLY 55 Ca 0.00 -0.02 0.00 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 2.68 -1.68 1.61 0.00 -1.26 -4.79 116.66 113.22 1hjd n ARG 56 Ca 0.00 -1.40 -0.02 0.00 -0.00 0.00 0.00 57.85 56.43 1hjd n ARG 56 Cb 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 32.46 31.53 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 -0.45 0.35 0.41 5.14 0.00 -1.22 -4.99 105.19 104.43 1hjd n GLY 57 Ca 0.00 -0.06 0.21 0.00 0.00 0.00 0.00 46.02 46.17 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 0.35 0.40 0.00 1.61 1.12 -1.59 0.79 114.38 117.05 1hjd h ARG 58 Ca -0.24 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.61 1hjd h ARG 58 Cb 1.09 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1hjd h ARG 58 CO -0.11 0.27 0.00 1.47 -3.11 0.00 0.00 179.97 178.49 1hjd n LEU 59 N -4.57 0.00 -4.02 3.80 -0.00 -1.26 -4.29 117.00 106.66 1hjd n LEU 59 Ca 0.22 0.19 -0.33 0.00 -0.00 0.00 0.00 56.01 56.09 1hjd n LEU 59 Cb 0.79 -0.19 -0.11 0.00 -0.00 0.00 0.00 43.42 43.91 1hjd n LEU 59 CO 0.28 -0.05 0.00 0.12 -0.00 0.00 0.00 177.39 177.74 1hjd s PHE 60 N -2.38 3.42 0.22 1.47 5.36 0.27 -0.95 117.98 125.39 1hjd s PHE 60 Ca 0.25 -3.01 -0.16 0.00 -0.96 0.00 0.00 56.93 53.05 1hjd s PHE 60 Cb 0.15 -3.01 -0.08 0.00 -0.34 0.00 0.00 43.02 39.74 1hjd s PHE 60 CO 0.31 -0.75 0.65 -1.58 -1.46 0.00 0.00 175.22 172.39 1hjd s TRP 61 N -0.54 3.56 -0.21 10.12 0.52 -0.49 -3.77 118.94 128.13 1hjd s TRP 61 Ca 0.20 1.20 -0.08 0.00 0.02 0.00 0.00 56.10 57.44 1hjd s TRP 61 Cb -0.18 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.62 1hjd s TRP 61 CO -0.05 0.31 0.08 0.20 0.02 0.00 0.00 176.95 177.51 1hjd s GLY 62 N -1.86 1.87 0.00 0.98 0.00 -0.21 0.11 107.32 108.20 1hjd s GLY 62 Ca 0.44 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1hjd s GLY 62 CO 0.20 0.25 0.00 0.61 0.00 0.00 0.00 173.10 174.15 1hjd n GLY 63 N 4.08 3.82 3.52 0.20 0.00 -0.04 -0.98 105.19 115.79 1hjd n GLY 63 Ca -0.16 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 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 1.68 -0.83 0.52 1.61 1.04 -0.15 -0.98 113.70 116.60 1hjd s SER 64 Ca 0.00 1.35 -0.19 0.00 0.48 0.00 0.00 55.95 57.59 1hjd s SER 64 Cb 0.00 1.53 -0.07 0.00 0.10 0.00 0.00 66.02 67.58 1hjd s SER 64 CO 0.00 -0.22 1.06 0.68 0.98 0.00 0.00 173.24 175.73 1hjd s VAL 65 N 2.08 3.68 0.64 5.02 -7.23 -1.26 0.12 120.40 123.44 1hjd s VAL 65 Ca -0.08 0.98 -0.18 0.00 -1.81 0.00 0.00 61.98 60.90 1hjd s VAL 65 Cb -0.09 -3.40 -0.02 0.00 0.56 0.00 0.00 36.38 33.43 1hjd s VAL 65 CO -0.17 -0.29 1.15 0.00 -0.31 0.00 0.00 175.10 175.48 1hjd n GLN 66 N -1.29 0.98 -3.27 4.82 10.64 0.78 -4.82 117.38 125.23 1hjd n GLN 66 Ca 0.10 0.39 -0.04 0.00 -1.83 0.00 0.00 57.00 55.61 1hjd n GLN 66 Cb 0.52 -2.38 -0.05 0.00 -0.86 0.00 0.00 30.24 27.47 1hjd n GLN 66 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1hjd s GLY 67 N -1.36 -0.69 -0.15 2.61 0.00 -1.26 -4.91 107.32 101.56 1hjd s GLY 67 Ca 0.80 1.08 -0.11 0.00 0.00 0.00 0.00 44.72 46.48 1hjd s GLY 67 CO 0.43 3.03 -0.25 1.34 0.00 0.00 0.00 173.10 177.65 1hjd n ASP 68 N 5.39 1.55 -4.65 1.64 -0.08 -1.26 -4.95 116.55 114.19 1hjd n ASP 68 Ca -0.01 0.26 -0.41 0.00 -1.51 0.00 0.00 54.79 53.11 1hjd n ASP 68 Cb 0.51 -0.61 -0.04 0.00 2.34 0.00 0.00 41.12 43.32 1hjd n ASP 68 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1hjd s TYR 69 N -2.51 3.34 0.77 -0.67 2.02 -1.26 -5.03 117.35 114.01 1hjd s TYR 69 Ca -0.24 1.12 -0.14 0.00 -0.37 0.00 0.00 57.07 57.44 1hjd s TYR 69 Cb 0.07 -3.01 0.06 0.00 -0.40 0.00 0.00 41.96 38.69 1hjd s TYR 69 CO 0.33 -0.34 1.18 0.71 -1.57 0.00 0.00 175.55 175.86 1hjd s TYR 70 N 2.58 1.99 -0.15 2.71 1.51 -1.26 -4.98 117.35 119.76 1hjd s TYR 70 Ca 0.34 1.64 0.24 0.00 -1.01 0.00 0.00 57.07 58.29 1hjd s TYR 70 Cb -0.16 -3.41 0.47 0.00 -0.11 0.00 0.00 41.96 38.76 1hjd s TYR 70 CO 0.09 -2.60 1.14 0.41 -1.11 0.00 0.00 175.55 173.48 1hjd n GLY 71 N 0.23 1.47 1.83 0.71 0.00 -1.26 -4.98 105.19 103.19 1hjd n GLY 71 Ca 0.13 -0.98 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.12 -2.53 -2.27 1.61 8.00 -1.26 -4.70 116.55 115.29 1hjd n ASP 72 Ca 0.07 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1hjd n ASP 72 Cb 0.95 -1.88 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1hjd n LEU 73 N -1.96 -5.31 0.00 0.64 7.94 -1.26 -5.06 117.00 111.99 1hjd n LEU 73 Ca -0.06 2.55 0.00 0.00 -1.11 0.00 0.00 56.01 57.38 1hjd n LEU 73 Cb 0.54 -2.92 0.00 0.00 0.53 0.00 0.00 43.42 41.58 1hjd n LEU 73 CO 0.18 -2.57 0.00 0.00 -1.11 0.00 0.00 177.39 173.89 1hjd n ALA 74 N 1.89 0.00 -3.64 1.96 0.00 -1.26 -5.16 120.51 114.29 1hjd n ALA 74 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1hjd n ALA 74 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.19 -0.13 0.00 0.00 -1.26 -4.94 121.76 113.24 1hjd s ALA 75 Ca 0.00 2.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.81 1hjd s ALA 75 Cb 0.00 -1.64 0.10 0.00 0.00 0.00 0.00 23.12 21.58 1hjd s ALA 75 CO 0.00 -0.32 0.85 0.50 0.00 0.00 0.00 175.76 176.79 1hjd s ARG 76 N 1.12 0.80 0.22 0.00 6.06 -1.26 -5.14 118.95 120.75 1hjd s ARG 76 Ca -0.06 0.27 -0.31 0.00 -2.50 0.00 0.00 55.73 53.12 1hjd s ARG 76 Cb -0.04 0.38 -0.11 0.00 0.06 0.00 0.00 34.95 35.23 1hjd s ARG 76 CO -0.13 -0.24 1.66 -0.51 -2.50 0.00 0.00 175.30 173.58 1hjd s LEU 77 N -0.98 4.36 0.42 -0.88 1.43 -1.26 -4.82 118.68 116.96 1hjd s LEU 77 Ca -0.05 2.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.96 1hjd s LEU 77 Cb -0.01 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 1hjd s LEU 77 CO 0.05 -0.93 0.06 -0.83 0.23 0.00 0.00 176.35 174.92 1hjd s GLY 78 N 0.98 2.51 -0.20 -3.19 0.00 -0.15 -4.94 107.32 102.33 1hjd s GLY 78 Ca 0.71 -2.06 0.01 0.00 0.00 0.00 0.00 44.72 43.37 1hjd s GLY 78 CO 0.36 -2.06 -0.09 -0.19 0.00 0.00 0.00 173.10 171.12 1hjd s TYR 79 N -2.70 2.34 0.06 1.90 2.02 -1.26 -0.87 117.35 118.85 1hjd s TYR 79 Ca 0.34 -1.57 -0.26 0.00 -0.37 0.00 0.00 57.07 55.21 1hjd s TYR 79 Cb 0.07 -1.59 0.07 0.00 -0.40 0.00 0.00 41.96 40.11 1hjd s TYR 79 CO 0.18 -0.74 0.61 -0.59 -1.57 0.00 0.00 175.55 173.44 1hjd s PHE 80 N 1.42 -0.55 -0.14 2.71 -0.12 0.29 -4.80 117.98 116.79 1hjd s PHE 80 Ca -0.02 0.63 -0.35 0.00 -0.05 0.00 0.00 56.93 57.13 1hjd s PHE 80 Cb -0.17 0.46 -0.12 0.00 -0.63 0.00 0.00 43.02 42.56 1hjd s PHE 80 CO -0.08 -0.72 1.88 -0.35 -0.05 0.00 0.00 175.22 175.90 1hjd n PRO 81 N 0.22 1.92 0.14 1.99 -0.04 -0.13 -1.39 135.00 137.72 1hjd n PRO 81 Ca -0.18 0.70 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 1hjd n PRO 81 Cb 0.61 -2.54 0.53 0.00 -0.04 0.00 0.00 33.50 32.06 1hjd n PRO 81 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1hjd n SER 82 N 6.64 0.63 -0.24 3.54 3.41 -1.26 -3.23 113.62 123.10 1hjd n SER 82 Ca 0.24 0.70 0.04 0.00 -0.26 0.00 0.00 58.87 59.60 1hjd n SER 82 Cb 0.26 -0.82 0.14 0.00 -0.26 0.00 0.00 64.21 63.53 1hjd n SER 82 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1hjd h SER 83 N 0.00 -0.32 -0.32 4.04 4.64 -1.92 0.42 113.55 120.09 1hjd h SER 83 Ca 0.00 0.18 0.09 0.00 -0.47 0.00 0.00 61.79 61.60 1hjd h SER 83 Cb 0.23 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1hjd h SER 83 CO 0.00 -0.16 0.27 0.40 -0.87 0.00 0.00 176.83 176.47 1hjd h ILE 84 N 0.11 0.65 -2.96 0.95 5.03 -1.95 -3.42 117.51 115.92 1hjd h ILE 84 Ca 0.39 0.00 -0.61 0.00 -0.12 0.00 0.00 64.86 64.52 1hjd h ILE 84 Cb 0.67 0.80 -0.09 0.00 -3.03 0.00 0.00 36.82 35.18 1hjd h ILE 84 CO -0.63 0.00 -0.60 0.68 -0.68 0.00 0.00 178.15 176.93 1hjd s VAL 85 N -4.85 4.39 -0.22 1.67 -7.23 0.15 0.11 120.40 114.41 1hjd s VAL 85 Ca -0.05 -0.98 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 1hjd s VAL 85 Cb 0.17 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.95 1hjd s VAL 85 CO 0.64 0.00 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.74 1hjd s ARG 86 N -2.74 3.04 0.32 4.82 3.52 0.31 -4.80 118.95 123.43 1hjd s ARG 86 Ca 0.29 -0.83 -0.28 0.00 -0.13 0.00 0.00 55.73 54.78 1hjd s ARG 86 Cb -0.11 -2.89 -0.09 0.00 -1.56 0.00 0.00 34.95 30.30 1hjd s ARG 86 CO 0.22 -0.29 1.17 -1.21 -0.81 0.00 0.00 175.30 174.38 1hjd s GLU 87 N 1.36 4.42 0.00 5.12 2.02 -1.26 -1.04 118.70 129.32 1hjd s GLU 87 Ca 0.03 1.91 0.00 0.00 0.02 0.00 0.00 54.97 56.93 1hjd s GLU 87 Cb -0.15 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1hjd s GLU 87 CO -0.06 -0.02 0.00 -3.47 0.02 0.00 0.00 175.26 171.73 1hjd n ASP 88 N 0.80 0.55 -4.24 -0.19 -0.08 -0.48 -4.94 116.55 107.97 1hjd n ASP 88 Ca 0.01 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.87 1hjd n ASP 88 Cb 0.45 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.87 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 -1.57 3.58 0.29 -0.67 0.74 -1.15 -5.00 119.66 115.88 1hjd s GLN 89 Ca 0.00 -2.97 -0.14 0.00 0.05 0.00 0.00 55.36 52.30 1hjd s GLN 89 Cb 0.00 -4.25 -0.09 0.00 1.10 0.00 0.00 33.01 29.78 1hjd s GLN 89 CO 0.00 -1.25 0.69 0.95 -0.55 0.00 0.00 175.29 175.13 1hjd s THR 90 N -0.79 4.73 0.00 -0.34 -4.23 -1.26 -0.79 115.64 112.95 1hjd s THR 90 Ca 0.25 0.87 0.03 0.00 -1.18 0.00 0.00 61.69 61.66 1hjd s THR 90 Cb -0.11 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.16 1hjd s THR 90 CO -0.09 -0.13 0.87 -0.11 -0.54 0.00 0.00 174.62 174.63 1hjd n LEU 91 N -0.23 -0.36 -4.51 4.79 0.00 -1.12 -4.93 117.00 110.65 1hjd n LEU 91 Ca 0.02 -1.62 -0.45 0.00 0.00 0.00 0.00 56.01 53.97 1hjd n LEU 91 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.89 1hjd n LEU 91 CO 0.42 1.12 1.91 2.29 0.00 0.00 0.00 177.39 183.13 1hjd n LYS 92 N 0.07 1.18 0.06 1.96 2.85 0.35 -4.75 118.16 119.87 1hjd n LYS 92 Ca -0.13 0.25 -0.22 0.00 -1.05 0.00 0.00 58.31 57.16 1hjd n LYS 92 Cb 0.70 -2.79 -0.15 0.00 -0.65 0.00 0.00 35.03 32.14 1hjd n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1hjd h PRO 93 N 14.71 0.34 -5.24 -1.58 0.13 -1.82 -3.48 132.00 135.06 1hjd h PRO 93 Ca -0.28 -0.59 -0.48 0.00 -0.87 0.00 0.00 66.00 63.79 1hjd h PRO 93 Cb 1.29 0.22 -0.14 0.00 0.13 0.00 0.00 31.00 32.50 1hjd h PRO 93 CO 1.07 1.28 -0.61 0.20 -0.23 0.00 0.00 178.00 179.72 1hjd s GLY 94 N -4.79 2.10 -0.37 1.56 0.00 -1.24 -4.87 107.32 99.71 1hjd s GLY 94 Ca -0.15 -2.05 0.12 0.00 0.00 0.00 0.00 44.72 42.63 1hjd s GLY 94 CO 0.83 -1.83 1.17 0.58 0.00 0.00 0.00 173.10 173.86 1hjd n LYS 95 N -0.70 1.16 -3.28 2.90 2.85 -1.04 -3.77 118.16 116.27 1hjd n LYS 95 Ca -0.02 -2.40 -0.39 0.00 -1.05 0.00 0.00 58.31 54.45 1hjd n LYS 95 Cb 0.67 -0.60 -0.06 0.00 -0.65 0.00 0.00 35.03 34.39 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 -1.08 4.88 0.58 0.58 1.01 -0.29 -4.73 120.40 121.34 1hjd s VAL 96 Ca 0.25 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 1hjd s VAL 96 Cb 0.41 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1hjd s VAL 96 CO -0.04 0.49 1.06 -0.62 0.00 0.00 0.00 175.10 175.99 1hjd s ASP 97 N -0.63 5.84 -0.29 3.32 2.15 -1.26 0.10 116.67 125.90 1hjd s ASP 97 Ca 0.29 1.86 -0.01 0.00 0.43 0.00 0.00 52.55 55.12 1hjd s ASP 97 Cb -0.18 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.02 1hjd s ASP 97 CO 0.17 -1.13 0.25 -0.69 -0.17 0.00 0.00 175.17 173.60 1hjd s VAL 98 N -2.33 -0.30 -0.92 1.11 1.01 0.42 -4.83 120.40 114.56 1hjd s VAL 98 Ca 0.65 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 1hjd s VAL 98 Cb -0.17 -0.98 -0.11 0.00 0.00 0.00 0.00 36.38 35.12 1hjd s VAL 98 CO 0.34 -0.55 2.14 -0.54 0.00 0.00 0.00 175.10 176.49 1hjd s LYS 99 N 2.26 1.99 0.46 2.72 1.02 -1.26 -1.51 119.74 125.43 1hjd s LYS 99 Ca 0.09 -0.12 -0.20 0.00 0.02 0.00 0.00 55.97 55.77 1hjd s LYS 99 Cb -0.15 -4.97 -0.10 0.00 -0.52 0.00 0.00 37.83 32.10 1hjd s LYS 99 CO -0.33 -4.16 0.98 -0.08 -0.92 0.00 0.00 175.35 170.84 1hjd s THR 100 N 12.95 4.29 0.33 2.17 -1.32 -0.95 -4.94 115.64 128.17 1hjd s THR 100 Ca 0.80 1.34 -0.24 0.00 -1.21 0.00 0.00 61.69 62.38 1hjd s THR 100 Cb -0.08 -3.59 -0.10 0.00 -1.51 0.00 0.00 72.50 67.22 1hjd s THR 100 CO 0.07 -0.39 0.91 -1.81 -2.21 0.00 0.00 174.62 171.18 1hjd s ASP 101 N -2.36 7.21 -0.03 8.08 1.01 -1.26 -4.59 116.67 124.73 1hjd s ASP 101 Ca 0.62 1.73 -0.22 0.00 0.71 0.00 0.00 52.55 55.39 1hjd s ASP 101 Cb -0.11 -2.54 -0.23 0.00 1.01 0.00 0.00 42.92 41.05 1hjd s ASP 101 CO 0.19 -0.11 1.06 0.11 0.21 0.00 0.00 175.17 176.63 1hjd h LYS 102 N 2.95 0.28 -0.14 8.23 1.57 -1.92 -3.21 116.57 124.32 1hjd h LYS 102 Ca -0.47 -0.29 0.04 0.00 -1.87 0.00 0.00 60.65 58.06 1hjd h LYS 102 Cb 1.19 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1hjd h LYS 102 CO 0.64 0.99 0.31 -1.49 -0.57 0.00 0.00 179.45 179.34 1hjd h TRP 103 N -0.33 0.00 0.03 -1.35 4.06 -2.04 -2.14 115.95 114.18 1hjd h TRP 103 Ca -0.05 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.92 1hjd h TRP 103 Cb 1.13 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.26 1hjd h TRP 103 CO 0.16 0.00 -0.18 -0.44 -3.56 0.00 0.00 178.44 174.42 1hjd h ASP 104 N 0.00 -0.52 -3.71 -3.49 5.19 -1.97 -3.38 116.42 108.54 1hjd h ASP 104 Ca 0.07 0.07 -0.66 0.00 -0.62 0.00 0.00 57.03 55.89 1hjd h ASP 104 Cb 0.68 0.21 -0.21 0.00 0.18 0.00 0.00 39.33 40.20 1hjd h ASP 104 CO -0.00 -0.25 -0.56 -0.36 -3.12 0.00 0.00 179.24 174.95 1hjd s PHE 105 N -6.12 3.17 -0.24 4.55 0.08 -0.81 -5.05 117.98 113.57 1hjd s PHE 105 Ca -0.15 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.51 1hjd s PHE 105 Cb 0.08 -2.34 0.13 0.00 -0.57 0.00 0.00 43.02 40.32 1hjd s PHE 105 CO 0.66 -0.36 0.39 -0.47 -0.10 0.00 0.00 175.22 175.33 1hjd s TYR 106 N 1.65 -0.84 0.09 0.36 6.14 -1.26 -4.96 117.35 118.54 1hjd s TYR 106 Ca 0.06 0.94 -0.31 0.00 0.64 0.00 0.00 57.07 58.40 1hjd s TYR 106 Cb -0.16 0.07 -0.10 0.00 0.42 0.00 0.00 41.96 42.18 1hjd s TYR 106 CO 0.07 -0.69 1.87 0.00 0.64 0.00 0.00 175.55 177.44