#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 6.21 0.26 0.00 -1.08 -1.26 -4.30 116.67 116.51 1hjd s ASP 9 Ca 0.00 -1.98 0.12 0.00 -0.52 0.00 0.00 52.55 50.17 1hjd s ASP 9 Cb 0.00 -2.18 -0.05 0.00 -1.46 0.00 0.00 42.92 39.23 1hjd s ASP 9 CO 0.00 -0.78 -0.20 -0.13 0.52 0.00 0.00 175.17 174.58 1hjd s ARG 10 N 1.30 1.63 -0.04 4.34 3.00 -1.25 -3.66 118.95 124.26 1hjd s ARG 10 Ca 0.06 -1.73 -0.02 0.00 0.00 0.00 0.00 55.73 54.05 1hjd s ARG 10 Cb -0.26 -1.73 0.03 0.00 0.00 0.00 0.00 34.95 33.00 1hjd s ARG 10 CO 0.00 0.33 0.09 -1.59 0.00 0.00 0.00 175.30 174.13 1hjd s LYS 11 N -3.42 0.03 0.40 3.54 -2.85 0.29 -1.43 119.74 116.30 1hjd s LYS 11 Ca 0.28 0.28 -0.07 0.00 -1.00 0.00 0.00 55.97 55.47 1hjd s LYS 11 Cb -0.05 -0.20 -0.05 0.00 -2.06 0.00 0.00 37.83 35.47 1hjd s LYS 11 CO 0.14 -0.16 0.71 -0.48 0.10 0.00 0.00 175.35 175.65 1hjd s LEU 12 N 1.09 3.84 0.35 2.77 2.34 -1.26 0.23 118.68 128.04 1hjd s LEU 12 Ca -0.09 0.93 -0.05 0.00 0.06 0.00 0.00 54.13 54.98 1hjd s LEU 12 Cb -0.12 -3.81 0.01 0.00 -0.56 0.00 0.00 46.19 41.71 1hjd s LEU 12 CO -0.04 -0.40 0.54 0.00 -1.06 0.00 0.00 176.35 175.39 1hjd s ALA 14 N -2.90 1.52 0.18 0.00 0.00 -1.23 -0.96 121.76 118.36 1hjd s ALA 14 Ca 0.27 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1hjd s ALA 14 Cb -0.01 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.43 1hjd s ALA 14 CO 0.18 -5.55 0.00 -0.25 0.00 0.00 0.00 175.76 170.14 1hjd n ASP 15 N 15.47 -6.69 -3.71 0.00 8.00 -1.26 -3.13 116.55 125.23 1hjd n ASP 15 Ca 0.44 0.84 -0.42 0.00 0.71 0.00 0.00 54.79 56.36 1hjd n ASP 15 Cb 0.47 -2.36 -0.07 0.00 -0.02 0.00 0.00 41.12 39.14 1hjd n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hjd n GLN 16 N -3.05 1.26 0.04 -1.24 1.13 -1.26 -3.04 117.38 111.22 1hjd n GLN 16 Ca 0.01 -1.77 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 1hjd n GLN 16 Cb 0.36 -2.94 0.00 0.00 0.11 0.00 0.00 30.24 27.76 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 7.30 0.00 -3.53 -1.09 2.13 -1.25 -5.04 120.64 119.16 1hjd n GLU 17 Ca 0.49 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 58.08 1hjd n GLU 17 Cb 0.41 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.20 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 -2.76 1.98 -4.74 0.00 7.64 -1.26 -4.88 113.62 109.60 1hjd n SER 19 Ca 0.00 0.12 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 1hjd n SER 19 Cb 0.56 -0.65 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.51 3.85 1.16 1.43 3.76 -1.26 -5.04 115.29 116.68 1hjd s HIS 20 Ca -0.35 1.78 -0.17 0.00 -0.15 0.00 0.00 55.06 56.17 1hjd s HIS 20 Cb 0.11 -2.99 0.20 0.00 1.11 0.00 0.00 32.58 31.01 1hjd s HIS 20 CO 0.58 0.29 0.37 -2.30 -0.85 0.00 0.00 174.74 172.83 1hjd n PRO 21 N 2.41 -2.56 -0.12 8.40 -0.02 -1.26 -4.56 135.00 137.29 1hjd n PRO 21 Ca 0.00 -0.75 -0.26 0.00 -2.02 0.00 0.00 63.50 60.48 1hjd n PRO 21 Cb 0.49 -1.71 -0.11 0.00 -0.02 0.00 0.00 33.50 32.15 1hjd n PRO 21 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1hjd n ILE 22 N -4.76 1.54 -3.86 4.25 0.13 -0.19 -3.91 119.36 112.56 1hjd n ILE 22 Ca 0.05 -0.37 0.00 0.00 -1.10 0.00 0.00 62.75 61.33 1hjd n ILE 22 Cb 0.52 -1.83 0.00 0.00 -0.84 0.00 0.00 39.64 37.49 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 -4.08 0.00 -4.17 9.51 3.41 -1.12 0.50 113.62 117.67 1hjd n SER 23 Ca -0.48 -0.90 -0.27 0.00 -0.26 0.00 0.00 58.87 56.95 1hjd n SER 23 Cb 0.88 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.71 1.96 -0.06 4.33 1.75 0.31 -2.29 119.30 123.60 1hjd s MET 24 Ca 0.00 -0.68 -0.04 0.00 -1.25 0.00 0.00 55.69 53.72 1hjd s MET 24 Cb 0.00 -1.69 0.02 0.00 2.84 0.00 0.00 34.83 36.00 1hjd s MET 24 CO 0.00 0.27 0.15 0.00 -0.65 0.00 0.00 175.02 174.80 1hjd s ALA 25 N -0.01 -0.35 0.09 4.11 0.00 0.24 -1.51 121.76 124.34 1hjd s ALA 25 Ca -0.04 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.45 1hjd s ALA 25 Cb -0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1hjd s ALA 25 CO 0.03 -0.10 0.25 0.08 0.00 0.00 0.00 175.76 176.01 1hjd s VAL 26 N 0.46 5.35 0.11 0.00 1.01 -0.22 0.14 120.40 127.25 1hjd s VAL 26 Ca -0.03 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 1hjd s VAL 26 Cb -0.05 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1hjd s VAL 26 CO -0.02 0.07 1.61 0.00 0.00 0.00 0.00 175.10 176.76 1hjd s ALA 27 N -1.58 3.72 -2.58 5.51 0.00 0.27 0.15 121.76 127.25 1hjd s ALA 27 Ca 0.36 1.27 0.26 0.00 0.00 0.00 0.00 51.96 53.85 1hjd s ALA 27 Cb -0.12 -3.66 0.72 0.00 0.00 0.00 0.00 23.12 20.05 1hjd s ALA 27 CO 0.28 -0.95 1.55 -0.11 0.00 0.00 0.00 175.76 176.54 1hjd n LEU 28 N 4.84 1.95 0.00 0.00 7.94 0.31 -3.66 117.00 128.38 1hjd n LEU 28 Ca 0.15 -0.65 0.00 0.00 -1.11 0.00 0.00 56.01 54.40 1hjd n LEU 28 Cb 0.40 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1hjd n LEU 28 CO 0.62 0.33 0.00 0.00 -1.11 0.00 0.00 177.39 177.23 1hjd n GLN 29 N 0.47 -1.91 -2.56 1.96 10.64 -1.23 -4.93 117.38 119.82 1hjd n GLN 29 Ca 0.17 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.93 1hjd n GLN 29 Cb 0.44 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.77 1hjd n GLN 29 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1hjd s ASP 30 N 0.00 7.36 -0.45 2.61 2.15 -1.22 -3.65 116.67 123.47 1hjd s ASP 30 Ca 0.00 2.11 0.06 0.00 0.43 0.00 0.00 52.55 55.15 1hjd s ASP 30 Cb 0.00 -2.61 0.19 0.00 -0.30 0.00 0.00 42.92 40.19 1hjd s ASP 30 CO 0.00 -0.11 0.70 -0.47 -0.17 0.00 0.00 175.17 175.13 1hjd s TYR 31 N -0.75 -1.59 0.26 -5.34 5.04 0.13 -4.95 117.35 110.15 1hjd s TYR 31 Ca 0.46 -0.09 -0.30 0.00 -2.44 0.00 0.00 57.07 54.70 1hjd s TYR 31 Cb -0.29 0.30 -0.10 0.00 0.35 0.00 0.00 41.96 42.22 1hjd s TYR 31 CO 0.36 -1.15 1.45 1.41 -1.34 0.00 0.00 175.55 176.28 1hjd s MET 32 N 1.43 4.26 0.16 4.97 1.75 -1.26 -1.40 119.30 129.22 1hjd s MET 32 Ca 0.22 2.33 -0.28 0.00 -1.25 0.00 0.00 55.69 56.71 1hjd s MET 32 Cb -0.02 -3.10 -0.16 0.00 2.84 0.00 0.00 34.83 34.40 1hjd s MET 32 CO -0.07 -0.43 0.55 0.00 -0.65 0.00 0.00 175.02 174.43 1hjd n ALA 33 N 2.16 -2.85 0.02 4.11 0.00 -1.26 -4.88 120.51 117.80 1hjd n ALA 33 Ca 0.06 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 1hjd n ALA 33 Cb 0.40 -1.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 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 1.18 0.03 0.00 0.00 0.11 -1.91 -3.46 132.00 127.96 1hjd h PRO 34 Ca -0.29 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.94 1hjd h PRO 34 Cb 1.35 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 1hjd h PRO 34 CO 0.54 0.12 0.41 -3.47 -0.21 0.00 0.00 178.00 175.39 1hjd n ASP 35 N -5.03 -0.99 -2.03 -2.05 -0.08 -1.26 -4.98 116.55 100.13 1hjd n ASP 35 Ca -0.07 -1.46 -0.20 0.00 -1.51 0.00 0.00 54.79 51.55 1hjd n ASP 35 Cb 0.07 1.60 -0.04 0.00 2.34 0.00 0.00 41.12 45.09 1hjd n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hjd n ARG 37 N -2.70 -4.94 0.00 0.00 0.63 -1.26 -4.98 116.66 103.41 1hjd n ARG 37 Ca -0.22 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 1hjd n ARG 37 Cb 0.68 -5.20 0.00 0.00 0.45 0.00 0.00 32.46 28.38 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 -4.38 -2.19 -3.74 -0.14 3.72 -0.95 -5.01 117.46 104.77 1hjd n PHE 38 Ca -0.22 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.82 1hjd n PHE 38 Cb 0.64 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.09 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 4.01 0.51 4.37 0.20 -1.26 -4.69 118.68 121.81 1hjd s LEU 39 Ca 0.00 0.08 -0.08 0.00 0.69 0.00 0.00 54.13 54.83 1hjd s LEU 39 Cb 0.00 -2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 1hjd s LEU 39 CO 0.00 0.08 0.85 0.28 -0.29 0.00 0.00 176.35 177.28 1hjd s THR 40 N 0.94 4.83 -0.28 3.68 -1.32 -1.26 -4.26 115.64 117.96 1hjd s THR 40 Ca 0.07 0.48 0.02 0.00 -1.21 0.00 0.00 61.69 61.04 1hjd s THR 40 Cb -0.13 -3.84 0.08 0.00 -1.51 0.00 0.00 72.50 67.09 1hjd s THR 40 CO 0.03 -0.87 0.00 -0.63 -2.21 0.00 0.00 174.62 170.94 1hjd s ILE 41 N -2.80 1.69 0.07 5.08 1.09 -0.49 -4.92 121.20 120.92 1hjd s ILE 41 Ca 0.50 -1.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 1hjd s ILE 41 Cb -0.10 -2.08 -0.04 0.00 -1.06 0.00 0.00 42.46 39.17 1hjd s ILE 41 CO 0.45 -0.35 0.21 -2.28 -0.10 0.00 0.00 174.94 172.87 1hjd s HIS 42 N 1.26 3.50 0.98 3.97 2.46 -1.25 0.17 115.29 126.37 1hjd s HIS 42 Ca 0.02 0.22 -0.15 0.00 0.47 0.00 0.00 55.06 55.62 1hjd s HIS 42 Cb -0.19 -1.74 -0.08 0.00 -0.13 0.00 0.00 32.58 30.45 1hjd s HIS 42 CO -0.10 0.58 -0.32 0.54 -2.47 0.00 0.00 174.74 172.96 1hjd n ARG 43 N 0.21 -0.12 -4.21 2.88 5.12 -1.24 -2.98 116.66 116.32 1hjd n ARG 43 Ca -0.05 -0.02 -0.30 0.00 -1.93 0.00 0.00 57.85 55.55 1hjd n ARG 43 Cb 0.51 -1.34 -0.07 0.00 -1.16 0.00 0.00 32.46 30.40 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 2.70 -0.18 2.75 -0.13 0.00 -1.24 -4.93 105.19 104.16 1hjd n GLY 44 Ca 0.01 0.16 -0.27 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 -7.09 0.71 0.66 1.61 0.74 -1.16 -4.95 119.66 110.17 1hjd s GLN 45 Ca 0.08 -0.39 -0.15 0.00 0.05 0.00 0.00 55.36 54.94 1hjd s GLN 45 Cb -0.04 -2.02 -0.00 0.00 1.10 0.00 0.00 33.01 32.05 1hjd s GLN 45 CO 0.96 -0.60 1.11 0.08 -0.55 0.00 0.00 175.29 176.29 1hjd s VAL 46 N 1.85 3.24 -0.03 1.34 1.01 -1.26 0.97 120.40 127.52 1hjd s VAL 46 Ca -0.00 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 1hjd s VAL 46 Cb -0.17 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1hjd s VAL 46 CO -0.08 -0.36 0.33 -0.69 0.00 0.00 0.00 175.10 174.31 1hjd s VAL 47 N -2.34 0.05 -0.38 2.92 1.01 0.38 0.99 120.40 123.03 1hjd s VAL 47 Ca 0.67 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1hjd s VAL 47 Cb -0.21 -0.62 0.11 0.00 0.00 0.00 0.00 36.38 35.66 1hjd s VAL 47 CO 0.41 -0.22 0.13 -0.31 0.00 0.00 0.00 175.10 175.12 1hjd s TYR 48 N -1.14 3.68 0.14 5.22 2.02 0.23 0.81 117.35 128.32 1hjd s TYR 48 Ca -0.12 -2.71 -0.31 0.00 -0.37 0.00 0.00 57.07 53.56 1hjd s TYR 48 Cb -0.05 -3.08 -0.08 0.00 -0.40 0.00 0.00 41.96 38.35 1hjd s TYR 48 CO 0.04 -0.96 1.34 0.08 -1.57 0.00 0.00 175.55 174.48 1hjd s VAL 49 N 1.01 3.34 -0.12 0.71 1.01 -0.97 -1.80 120.40 123.59 1hjd s VAL 49 Ca 0.10 1.01 0.18 0.00 0.00 0.00 0.00 61.98 63.27 1hjd s VAL 49 Cb -0.21 -3.65 -0.26 0.00 0.00 0.00 0.00 36.38 32.26 1hjd s VAL 49 CO -0.06 0.11 0.21 0.33 0.00 0.00 0.00 175.10 175.69 1hjd n PHE 50 N 3.42 0.00 -3.72 5.22 7.35 0.38 -1.02 117.46 129.09 1hjd n PHE 50 Ca 0.09 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.75 1hjd n PHE 50 Cb 0.43 -0.72 -0.01 0.00 0.35 0.00 0.00 39.48 39.52 1hjd n PHE 50 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1hjd s SER 51 N -4.86 -0.18 -0.36 -2.13 1.04 -0.19 -4.17 113.70 102.84 1hjd s SER 51 Ca -0.08 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1hjd s SER 51 Cb 0.08 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.79 1hjd s SER 51 CO 0.78 -0.82 0.21 -1.59 0.98 0.00 0.00 173.24 172.80 1hjd s LYS 52 N -3.20 0.66 0.49 4.02 -2.85 -1.26 0.52 119.74 118.13 1hjd s LYS 52 Ca 0.12 -1.39 -0.23 0.00 -1.00 0.00 0.00 55.97 53.46 1hjd s LYS 52 Cb -0.01 -1.48 -0.07 0.00 -2.06 0.00 0.00 37.83 34.21 1hjd s LYS 52 CO 0.01 -1.19 1.32 -0.11 0.10 0.00 0.00 175.35 175.48 1hjd n LEU 53 N 4.04 4.84 0.00 2.77 0.00 -1.12 -4.30 117.00 123.24 1hjd n LEU 53 Ca 0.10 1.04 0.00 0.00 0.00 0.00 0.00 56.01 57.15 1hjd n LEU 53 Cb 0.37 -1.55 0.00 0.00 0.00 0.00 0.00 43.42 42.24 1hjd n LEU 53 CO 0.15 -0.59 0.00 2.29 0.00 0.00 0.00 177.39 179.24 1hjd n LYS 54 N -0.49 1.22 0.00 1.96 2.85 -0.52 -3.28 118.16 119.90 1hjd n LYS 54 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 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 1.53 2.05 0.00 2.58 0.00 -1.26 -3.79 105.19 106.30 1hjd n GLY 55 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1hjd n GLY 55 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hjd n ARG 56 N 0.00 1.31 -2.70 1.61 1.85 -1.26 -4.87 116.66 112.61 1hjd n ARG 56 Ca 0.00 -0.28 -0.06 0.00 -1.00 0.00 0.00 57.85 56.51 1hjd n ARG 56 Cb 0.00 -0.75 0.06 0.00 -1.05 0.00 0.00 32.46 30.72 1hjd n ARG 56 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1hjd n GLY 57 N 0.27 -1.06 0.36 2.89 0.00 -1.26 -5.01 105.19 101.38 1hjd n GLY 57 Ca 0.00 0.68 0.08 0.00 0.00 0.00 0.00 46.02 46.78 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 3.54 0.92 0.00 1.61 2.43 -1.82 0.44 114.38 121.51 1hjd h ARG 58 Ca -0.19 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1hjd h ARG 58 Cb 1.14 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1hjd h ARG 58 CO 0.01 0.61 -0.02 1.37 -1.51 0.00 0.00 179.97 180.43 1hjd h LEU 59 N 0.95 0.00 -7.31 3.80 8.10 -1.93 -3.37 115.31 115.55 1hjd h LEU 59 Ca 0.51 0.00 -0.42 0.00 0.11 0.00 0.00 57.88 58.08 1hjd h LEU 59 Cb 0.56 0.00 0.05 0.00 -0.44 0.00 0.00 40.66 40.83 1hjd h LEU 59 CO -0.29 0.02 1.23 0.33 -4.11 0.00 0.00 178.44 175.62 1hjd n PHE 60 N -4.04 1.24 -2.74 0.17 7.35 0.15 -2.55 117.46 117.04 1hjd n PHE 60 Ca -0.03 -0.95 -0.43 0.00 -0.76 0.00 0.00 57.45 55.29 1hjd n PHE 60 Cb 0.10 -1.80 -0.03 0.00 0.35 0.00 0.00 39.48 38.10 1hjd n PHE 60 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1hjd s TRP 61 N 9.74 3.31 -0.37 -5.13 0.52 -0.39 -2.78 118.94 123.84 1hjd s TRP 61 Ca 0.69 1.32 -0.24 0.00 0.02 0.00 0.00 56.10 57.88 1hjd s TRP 61 Cb 0.07 -3.24 0.01 0.00 -1.15 0.00 0.00 33.47 29.16 1hjd s TRP 61 CO 0.21 -0.49 0.85 0.20 0.02 0.00 0.00 176.95 177.74 1hjd s GLY 62 N 1.30 1.61 0.00 0.98 0.00 0.19 -1.22 107.32 110.18 1hjd s GLY 62 Ca 0.41 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1hjd s GLY 62 CO 0.08 1.87 0.00 0.61 0.00 0.00 0.00 173.10 175.66 1hjd n GLY 63 N 4.48 5.12 3.51 0.20 0.00 0.95 -0.47 105.19 118.99 1hjd n GLY 63 Ca 0.05 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1hjd n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hjd s SER 64 N 1.13 -0.80 0.42 1.61 0.01 -0.75 -0.60 113.70 114.72 1hjd s SER 64 Ca 0.00 1.31 -0.23 0.00 1.31 0.00 0.00 55.95 58.34 1hjd s SER 64 Cb 0.00 1.20 -0.09 0.00 0.21 0.00 0.00 66.02 67.34 1hjd s SER 64 CO 0.00 -0.22 1.06 0.68 0.41 0.00 0.00 173.24 175.17 1hjd s VAL 65 N 1.59 3.65 0.53 3.43 -7.23 -1.26 0.77 120.40 121.88 1hjd s VAL 65 Ca -0.10 1.22 -0.20 0.00 -1.81 0.00 0.00 61.98 61.08 1hjd s VAL 65 Cb -0.06 -3.60 -0.08 0.00 0.56 0.00 0.00 36.38 33.20 1hjd s VAL 65 CO -0.18 -0.04 0.88 0.00 -0.31 0.00 0.00 175.10 175.46 1hjd n GLN 66 N -0.30 0.97 -3.60 4.82 10.64 0.28 -4.85 117.38 125.34 1hjd n GLN 66 Ca 0.06 0.36 -0.28 0.00 -1.83 0.00 0.00 57.00 55.31 1hjd n GLN 66 Cb 0.50 -2.02 -0.16 0.00 -0.86 0.00 0.00 30.24 27.70 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 -1.05 0.52 0.77 2.61 0.00 -1.26 -4.92 107.32 103.99 1hjd s GLY 67 Ca 0.70 -0.87 -0.12 0.00 0.00 0.00 0.00 44.72 44.43 1hjd s GLY 67 CO 0.52 1.87 1.11 0.99 0.00 0.00 0.00 173.10 177.59 1hjd s ASP 68 N 2.05 4.76 -0.92 1.64 1.11 -1.26 -4.97 116.67 119.08 1hjd s ASP 68 Ca 0.06 1.19 -0.02 0.00 0.18 0.00 0.00 52.55 53.96 1hjd s ASP 68 Cb -0.16 -1.92 0.28 0.00 1.07 0.00 0.00 42.92 42.19 1hjd s ASP 68 CO -0.25 -1.79 2.08 -1.22 1.18 0.00 0.00 175.17 175.17 1hjd n TYR 69 N -3.30 2.70 -1.73 4.23 4.01 -1.26 -4.58 117.16 117.23 1hjd n TYR 69 Ca 0.07 -2.41 -0.13 0.00 -0.16 0.00 0.00 57.90 55.27 1hjd n TYR 69 Cb 0.57 -1.28 0.11 0.00 -0.31 0.00 0.00 39.34 38.43 1hjd n TYR 69 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1hjd n TYR 70 N 0.03 1.73 -1.29 -0.72 9.36 -1.26 -4.96 117.16 120.05 1hjd n TYR 70 Ca 0.52 -1.98 0.00 0.00 3.32 0.00 0.00 57.90 59.76 1hjd n TYR 70 Cb 0.28 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.54 1hjd n TYR 70 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1hjd n GLY 71 N -0.93 -0.30 0.00 2.98 0.00 -1.26 -5.07 105.19 100.62 1hjd n GLY 71 Ca 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1hjd n GLY 71 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hjd n ASP 72 N -0.67 0.00 -4.50 1.61 2.03 -1.26 -5.12 116.55 108.64 1hjd n ASP 72 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1hjd n ASP 72 Cb 0.24 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.60 1hjd n ASP 72 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1hjd s LEU 73 N 0.00 4.21 0.00 -2.67 2.96 -1.26 -4.76 118.68 117.16 1hjd s LEU 73 Ca 0.00 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 1hjd s LEU 73 Cb 0.00 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1hjd s LEU 73 CO 0.00 -1.25 0.00 0.00 -1.32 0.00 0.00 176.35 173.78 1hjd n ALA 74 N 7.44 0.00 -2.84 5.97 0.00 -1.26 -5.16 120.51 124.66 1hjd n ALA 74 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1hjd n ALA 74 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 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 3.76 -0.03 0.00 0.00 -1.26 -5.10 121.76 119.13 1hjd s ALA 75 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 1hjd s ALA 75 Cb 0.00 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.24 1hjd s ALA 75 CO 0.00 0.58 0.07 0.50 0.00 0.00 0.00 175.76 176.91 1hjd s ARG 76 N -0.89 0.06 0.55 0.00 3.52 -1.26 -5.14 118.95 115.79 1hjd s ARG 76 Ca 0.14 0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.67 1hjd s ARG 76 Cb -0.12 -0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.18 1hjd s ARG 76 CO 0.03 -0.06 1.34 -0.51 -0.81 0.00 0.00 175.30 175.30 1hjd s LEU 77 N 0.37 3.84 -0.02 -0.88 1.02 -1.26 -4.74 118.68 117.02 1hjd s LEU 77 Ca -0.03 2.73 -0.12 0.00 0.02 0.00 0.00 54.13 56.73 1hjd s LEU 77 Cb -0.04 -4.30 0.02 0.00 0.02 0.00 0.00 46.19 41.89 1hjd s LEU 77 CO -0.01 -1.57 0.27 -0.83 0.02 0.00 0.00 176.35 174.22 1hjd s GLY 78 N -1.01 -0.11 -0.21 -3.19 0.00 0.23 -4.86 107.32 98.18 1hjd s GLY 78 Ca 0.72 0.26 -0.07 0.00 0.00 0.00 0.00 44.72 45.64 1hjd s GLY 78 CO 0.47 0.08 0.05 -0.19 0.00 0.00 0.00 173.10 173.51 1hjd s TYR 79 N -1.18 3.12 0.10 1.90 1.51 -1.26 -0.03 117.35 121.52 1hjd s TYR 79 Ca -0.12 -0.24 -0.24 0.00 -1.01 0.00 0.00 57.07 55.45 1hjd s TYR 79 Cb -0.05 -2.14 0.07 0.00 -0.11 0.00 0.00 41.96 39.73 1hjd s TYR 79 CO 0.03 -0.14 0.59 -0.59 -1.11 0.00 0.00 175.55 174.34 1hjd s PHE 80 N 0.99 -0.53 0.14 2.71 -0.12 -0.36 -4.76 117.98 116.05 1hjd s PHE 80 Ca 0.03 0.47 -0.35 0.00 -0.05 0.00 0.00 56.93 57.04 1hjd s PHE 80 Cb -0.14 0.49 -0.14 0.00 -0.63 0.00 0.00 43.02 42.59 1hjd s PHE 80 CO 0.03 -0.77 1.53 -0.35 -0.05 0.00 0.00 175.22 175.60 1hjd n PRO 81 N -0.03 1.92 0.16 1.99 -0.04 -1.06 -1.26 135.00 136.68 1hjd n PRO 81 Ca -0.17 0.69 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1hjd n PRO 81 Cb 0.63 -2.44 0.53 0.00 -0.04 0.00 0.00 33.50 32.18 1hjd n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1hjd h SER 82 N 5.67 0.00 -0.58 3.54 4.64 -1.91 -3.11 113.55 121.81 1hjd h SER 82 Ca -0.46 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.03 1hjd h SER 82 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1hjd h SER 82 CO 0.86 0.00 0.48 -1.28 -0.87 0.00 0.00 176.83 176.02 1hjd h SER 83 N 0.00 0.00 -0.36 4.97 0.87 -1.90 0.42 113.55 117.56 1hjd h SER 83 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hjd h SER 83 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1hjd h SER 83 CO 0.00 0.00 0.00 -0.38 -0.53 0.00 0.00 176.83 175.92 1hjd n ILE 84 N -4.06 1.18 -4.03 2.23 -0.00 -1.18 -4.86 119.36 108.63 1hjd n ILE 84 Ca 0.11 -0.70 -0.09 0.00 -0.00 0.00 0.00 62.75 62.07 1hjd n ILE 84 Cb 0.71 -0.14 -0.08 0.00 -0.00 0.00 0.00 39.64 40.13 1hjd n ILE 84 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 1hjd s VAL 85 N -1.79 0.10 -0.22 1.39 -7.23 0.15 0.11 120.40 112.91 1hjd s VAL 85 Ca 0.29 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1hjd s VAL 85 Cb 0.20 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 35.37 1hjd s VAL 85 CO 0.13 -0.46 0.01 0.00 -0.31 0.00 0.00 175.10 174.46 1hjd s ARG 86 N -3.98 1.00 -0.17 4.82 1.70 0.39 -4.69 118.95 118.01 1hjd s ARG 86 Ca 0.18 -0.69 -0.29 0.00 -0.47 0.00 0.00 55.73 54.45 1hjd s ARG 86 Cb 0.05 -2.27 -0.02 0.00 -0.57 0.00 0.00 34.95 32.14 1hjd s ARG 86 CO -0.01 -0.66 1.32 -1.21 -1.08 0.00 0.00 175.30 173.66 1hjd s GLU 87 N 1.67 4.17 -0.18 3.89 2.02 -1.26 -1.06 118.70 127.95 1hjd s GLU 87 Ca -0.02 1.67 -0.09 0.00 0.02 0.00 0.00 54.97 56.56 1hjd s GLU 87 Cb -0.18 -3.81 -0.08 0.00 0.10 0.00 0.00 34.13 30.16 1hjd s GLU 87 CO -0.09 -0.79 -0.23 -3.47 0.02 0.00 0.00 175.26 170.70 1hjd n ASP 88 N 6.86 1.23 -4.90 -0.19 -0.08 -0.57 -4.95 116.55 113.95 1hjd n ASP 88 Ca 0.15 0.21 -0.30 0.00 -1.51 0.00 0.00 54.79 53.34 1hjd n ASP 88 Cb 0.45 -0.52 -0.04 0.00 2.34 0.00 0.00 41.12 43.35 1hjd n ASP 88 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1hjd s GLN 89 N -2.32 3.33 0.03 -0.67 0.74 -1.18 -4.98 119.66 114.61 1hjd s GLN 89 Ca -0.24 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.65 1hjd s GLN 89 Cb 0.09 -2.96 -0.02 0.00 1.10 0.00 0.00 33.01 31.22 1hjd s GLN 89 CO 0.31 0.58 -0.05 0.95 -0.55 0.00 0.00 175.29 176.53 1hjd s THR 90 N -1.55 0.30 -0.30 -0.34 -4.23 -1.26 0.12 115.64 108.37 1hjd s THR 90 Ca 0.34 -0.97 0.14 0.00 -1.18 0.00 0.00 61.69 60.03 1hjd s THR 90 Cb -0.12 -0.41 0.41 0.00 1.34 0.00 0.00 72.50 73.71 1hjd s THR 90 CO 0.27 -0.43 1.43 -0.11 -0.54 0.00 0.00 174.62 175.23 1hjd n LEU 91 N 1.57 -0.82 -4.45 4.79 0.00 -0.85 -4.89 117.00 112.36 1hjd n LEU 91 Ca -0.23 -3.10 -0.44 0.00 0.00 0.00 0.00 56.01 52.24 1hjd n LEU 91 Cb 0.55 0.16 -0.06 0.00 0.00 0.00 0.00 43.42 44.07 1hjd n LEU 91 CO 0.20 1.56 0.40 -1.59 0.00 0.00 0.00 177.39 177.96 1hjd s LYS 92 N -0.65 3.14 0.13 1.96 -2.85 0.18 -4.33 119.74 117.31 1hjd s LYS 92 Ca 0.12 -0.86 -0.03 0.00 -1.00 0.00 0.00 55.97 54.20 1hjd s LYS 92 Cb 0.40 -4.11 -0.11 0.00 -2.06 0.00 0.00 37.83 31.94 1hjd s LYS 92 CO -0.11 -1.30 1.29 -1.00 0.10 0.00 0.00 175.35 174.33 1hjd h PRO 93 N 9.06 0.34 -5.46 1.78 0.13 -1.87 -3.47 132.00 132.52 1hjd h PRO 93 Ca -0.28 -0.40 -0.46 0.00 -0.87 0.00 0.00 66.00 63.99 1hjd h PRO 93 Cb 1.09 0.12 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1hjd h PRO 93 CO 1.00 1.10 -0.69 0.20 -0.23 0.00 0.00 178.00 179.37 1hjd s GLY 94 N -4.48 1.65 -0.38 1.56 0.00 -1.26 -4.85 107.32 99.56 1hjd s GLY 94 Ca -0.05 -1.80 0.12 0.00 0.00 0.00 0.00 44.72 42.99 1hjd s GLY 94 CO 0.86 -1.79 1.14 0.58 0.00 0.00 0.00 173.10 173.89 1hjd n LYS 95 N -0.49 1.14 -3.62 2.90 2.85 -1.07 -3.55 118.16 116.32 1hjd n LYS 95 Ca -0.06 -2.44 -0.37 0.00 -1.05 0.00 0.00 58.31 54.39 1hjd n LYS 95 Cb 0.62 -0.71 -0.07 0.00 -0.65 0.00 0.00 35.03 34.23 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 -1.11 5.31 -0.14 0.58 1.01 -0.13 -4.79 120.40 121.13 1hjd s VAL 96 Ca 0.25 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 1hjd s VAL 96 Cb 0.40 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1hjd s VAL 96 CO -0.04 0.47 1.44 -0.62 0.00 0.00 0.00 175.10 176.35 1hjd s ASP 97 N -0.11 6.78 -0.40 3.32 2.15 -1.26 0.23 116.67 127.38 1hjd s ASP 97 Ca 0.17 1.86 -0.13 0.00 0.43 0.00 0.00 52.55 54.88 1hjd s ASP 97 Cb -0.13 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 1hjd s ASP 97 CO 0.05 -0.88 0.25 -0.69 -0.17 0.00 0.00 175.17 173.73 1hjd s VAL 98 N 3.90 4.84 -0.95 1.11 1.01 0.62 -4.80 120.40 126.13 1hjd s VAL 98 Ca 0.63 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 1hjd s VAL 98 Cb -0.26 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1hjd s VAL 98 CO 0.22 -0.30 1.77 -1.59 0.00 0.00 0.00 175.10 175.20 1hjd s LYS 99 N 1.60 2.93 0.72 2.72 -2.85 -1.26 0.10 119.74 123.70 1hjd s LYS 99 Ca 0.03 -0.61 -0.11 0.00 -1.00 0.00 0.00 55.97 54.28 1hjd s LYS 99 Cb -0.20 -5.17 0.03 0.00 -2.06 0.00 0.00 37.83 30.43 1hjd s LYS 99 CO 0.08 -2.97 1.10 -0.08 0.10 0.00 0.00 175.35 173.57 1hjd s THR 100 N 8.28 3.39 -0.11 3.79 -1.32 -1.24 -4.95 115.64 123.49 1hjd s THR 100 Ca 0.62 0.45 -0.31 0.00 -1.21 0.00 0.00 61.69 61.23 1hjd s THR 100 Cb -0.04 -3.40 0.12 0.00 -1.51 0.00 0.00 72.50 67.67 1hjd s THR 100 CO -0.04 -0.59 1.04 -0.62 -2.21 0.00 0.00 174.62 172.20 1hjd s ASP 101 N -4.27 -0.27 0.00 8.08 2.15 -1.26 -4.67 116.67 116.43 1hjd s ASP 101 Ca 0.59 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.62 1hjd s ASP 101 Cb -0.12 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.77 1hjd s ASP 101 CO 0.52 -0.42 0.00 1.17 -0.17 0.00 0.00 175.17 176.27 1hjd n LYS 102 N -0.02 0.00 0.31 4.34 4.81 -1.26 -4.11 118.16 122.23 1hjd n LYS 102 Ca -0.05 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.57 1hjd n LYS 102 Cb 0.60 0.00 0.93 0.00 0.02 0.00 0.00 35.03 36.58 1hjd n LYS 102 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1hjd h TRP 103 N 0.00 0.00 -1.00 5.64 4.06 -2.03 -2.12 115.95 120.50 1hjd h TRP 103 Ca 0.00 0.00 0.21 0.00 2.06 0.00 0.00 58.89 61.16 1hjd h TRP 103 Cb 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.05 1hjd h TRP 103 CO 0.00 0.00 0.60 0.22 -3.56 0.00 0.00 178.44 175.70 1hjd h ASP 104 N 0.00 0.74 -3.42 -3.49 3.58 -1.94 -3.47 116.42 108.42 1hjd h ASP 104 Ca 0.02 0.11 0.38 0.00 0.42 0.00 0.00 57.03 57.96 1hjd h ASP 104 Cb 0.49 -0.02 -0.14 0.00 1.72 0.00 0.00 39.33 41.38 1hjd h ASP 104 CO -0.00 0.22 -0.86 0.33 -2.88 0.00 0.00 179.24 176.05 1hjd n PHE 105 N -4.81 -3.81 -4.16 0.28 7.35 -0.80 -5.00 117.46 106.51 1hjd n PHE 105 Ca 0.24 1.98 -0.10 0.00 -0.76 0.00 0.00 57.45 58.82 1hjd n PHE 105 Cb 0.63 -3.46 -0.10 0.00 0.35 0.00 0.00 39.48 36.90 1hjd n PHE 105 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 1hjd s TYR 106 N -3.11 0.85 -0.29 -5.13 5.04 -1.26 -5.09 117.35 108.36 1hjd s TYR 106 Ca 0.00 -1.11 -0.16 0.00 -2.44 0.00 0.00 57.07 53.36 1hjd s TYR 106 Cb 0.00 -0.51 0.16 0.00 0.35 0.00 0.00 41.96 41.97 1hjd s TYR 106 CO 0.00 -0.37 1.04 0.00 -1.34 0.00 0.00 175.55 174.88