#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5c s ASN 2 N 0.00 6.21 -0.20 0.00 2.20 -1.26 -4.89 114.94 116.99 1j5c s ASN 2 Ca 0.00 1.86 -0.15 0.00 -0.94 0.00 0.00 52.86 53.64 1j5c s ASN 2 Cb 0.00 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.66 1j5c s ASN 2 CO 0.00 -0.87 0.34 0.00 -2.94 0.00 0.00 177.10 173.63 1j5c s ALA 3 N -2.17 3.57 0.12 3.54 0.00 -1.16 -4.93 121.76 120.72 1j5c s ALA 3 Ca 0.65 -0.57 0.10 0.00 0.00 0.00 0.00 51.96 52.15 1j5c s ALA 3 Cb -0.16 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1j5c s ALA 3 CO 0.26 -0.22 -0.26 -0.08 0.00 0.00 0.00 175.76 175.45 1j5c s THR 4 N 1.14 2.17 0.00 0.00 -1.32 -1.26 -1.91 115.64 114.46 1j5c s THR 4 Ca 0.17 -1.69 0.02 0.00 -1.21 0.00 0.00 61.69 58.98 1j5c s THR 4 Cb -0.14 -1.92 -0.01 0.00 -1.51 0.00 0.00 72.50 68.92 1j5c s THR 4 CO 0.07 0.10 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.81 1j5c s VAL 5 N -1.04 0.56 0.10 5.08 1.01 0.55 -4.87 120.40 121.77 1j5c s VAL 5 Ca 0.13 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1j5c s VAL 5 Cb -0.10 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 1j5c s VAL 5 CO 0.05 0.06 0.91 -1.59 0.00 0.00 0.00 175.10 174.54 1j5c s LYS 6 N -0.43 4.65 -1.06 2.72 -2.85 -1.26 -2.83 119.74 118.69 1j5c s LYS 6 Ca 0.01 1.36 -0.21 0.00 -1.00 0.00 0.00 55.97 56.12 1j5c s LYS 6 Cb -0.04 -3.37 -0.09 0.00 -2.06 0.00 0.00 37.83 32.27 1j5c s LYS 6 CO -0.00 0.23 1.93 -1.33 0.10 0.00 0.00 175.35 176.28 1j5c n MET 7 N 2.79 1.83 0.00 1.78 2.81 0.33 -4.21 117.12 122.44 1j5c n MET 7 Ca 0.01 -2.33 0.00 0.00 -1.81 0.00 0.00 57.70 53.58 1j5c n MET 7 Cb 0.49 -3.36 0.00 0.00 -0.71 0.00 0.00 33.22 29.65 1j5c n MET 7 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j5c n GLY 8 N 5.13 0.02 3.17 3.03 0.00 -1.25 -3.62 105.19 111.68 1j5c n GLY 8 Ca 0.48 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1j5c n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5c s SER 9 N -4.00 0.20 0.02 1.61 0.15 -1.10 -3.21 113.70 107.37 1j5c s SER 9 Ca 0.00 -0.70 -0.26 0.00 0.70 0.00 0.00 55.95 55.69 1j5c s SER 9 Cb 0.00 0.29 -0.17 0.00 -1.71 0.00 0.00 66.02 64.43 1j5c s SER 9 CO 0.00 -0.67 1.35 -0.78 1.20 0.00 0.00 173.24 174.34 1j5c h ASP 10 N 2.97 -0.29 -0.63 5.45 3.58 -1.94 -3.14 116.42 122.42 1j5c h ASP 10 Ca -0.34 -0.17 0.11 0.00 0.42 0.00 0.00 57.03 57.05 1j5c h ASP 10 Cb 1.18 0.07 -0.12 0.00 1.72 0.00 0.00 39.33 42.19 1j5c h ASP 10 CO 0.57 0.03 -0.30 -1.28 -2.88 0.00 0.00 179.24 175.38 1j5c h SER 11 N -0.62 -1.06 0.00 2.28 0.87 -2.00 -3.46 113.55 109.56 1j5c h SER 11 Ca -0.03 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1j5c h SER 11 Cb 0.44 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1j5c h SER 11 CO 0.06 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.68 1j5c n GLY 12 N -1.44 0.32 3.41 5.77 0.00 -1.19 -5.16 105.19 106.90 1j5c n GLY 12 Ca 0.05 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 1j5c n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c s ALA 13 N 0.00 2.45 -1.28 4.61 0.00 -1.26 -5.02 121.76 121.26 1j5c s ALA 13 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 1j5c s ALA 13 Cb 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 1j5c s ALA 13 CO 0.00 0.55 2.52 1.28 0.00 0.00 0.00 175.76 180.12 1j5c n LEU 14 N 1.00 6.85 -3.57 0.00 4.77 -1.26 -3.91 117.00 120.87 1j5c n LEU 14 Ca -0.17 -3.65 -0.17 0.00 -0.03 0.00 0.00 56.01 51.99 1j5c n LEU 14 Cb 0.53 -1.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.21 1j5c n LEU 14 CO 0.24 1.32 0.37 0.68 -1.33 0.00 0.00 177.39 178.68 1j5c s VAL 15 N 2.84 0.01 -0.11 4.08 -7.23 -1.26 -4.40 120.40 114.33 1j5c s VAL 15 Ca 0.55 -0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.67 1j5c s VAL 15 Cb 0.14 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 1j5c s VAL 15 CO -0.04 -0.03 -0.15 0.72 -0.31 0.00 0.00 175.10 175.29 1j5c s PHE 16 N -0.98 2.75 -0.00 2.82 -0.12 -1.26 -2.72 117.98 118.47 1j5c s PHE 16 Ca -0.10 -0.56 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 1j5c s PHE 16 Cb -0.01 -1.77 -0.00 0.00 -0.63 0.00 0.00 43.02 40.60 1j5c s PHE 16 CO 0.08 -0.13 -0.03 -1.21 -0.05 0.00 0.00 175.22 173.87 1j5c s GLU 17 N 0.07 0.28 0.11 1.99 2.02 -1.20 -2.00 118.70 119.96 1j5c s GLU 17 Ca -0.06 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.51 1j5c s GLU 17 Cb -0.15 -0.27 -0.06 0.00 0.10 0.00 0.00 34.13 33.75 1j5c s GLU 17 CO 0.05 0.07 1.15 -1.25 0.02 0.00 0.00 175.26 175.29 1j5c s PRO 18 N -0.07 4.50 0.34 0.39 0.04 -1.26 -4.21 135.00 134.72 1j5c s PRO 18 Ca 0.01 1.73 0.24 0.00 0.04 0.00 0.00 61.00 63.03 1j5c s PRO 18 Cb -0.01 -3.32 1.21 0.00 0.04 0.00 0.00 34.50 32.42 1j5c s PRO 18 CO -0.00 -0.11 1.73 0.66 0.04 0.00 0.00 177.00 179.32 1j5c h SER 19 N 6.08 0.00 -3.65 6.66 4.64 -1.74 -3.41 113.55 122.13 1j5c h SER 19 Ca -0.43 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.66 1j5c h SER 19 Cb 1.21 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.01 1j5c h SER 19 CO 0.77 0.00 -0.65 -0.89 -0.87 0.00 0.00 176.83 175.19 1j5c s THR 20 N -3.53 -0.02 0.33 2.95 2.01 -1.26 -2.27 115.64 113.84 1j5c s THR 20 Ca -0.01 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.11 1j5c s THR 20 Cb 0.08 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.43 1j5c s THR 20 CO 0.28 0.03 0.17 -0.69 -0.69 0.00 0.00 174.62 173.72 1j5c s VAL 21 N 0.45 0.34 -0.11 3.82 1.01 -1.26 -5.06 120.40 119.58 1j5c s VAL 21 Ca -0.03 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 59.91 1j5c s VAL 21 Cb -0.05 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1j5c s VAL 21 CO -0.02 0.00 0.01 0.42 0.00 0.00 0.00 175.10 175.52 1j5c s THR 22 N -3.51 4.40 0.05 3.92 -4.23 -1.26 -3.07 115.64 111.94 1j5c s THR 22 Ca 0.34 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1j5c s THR 22 Cb 0.04 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1j5c s THR 22 CO 0.18 0.57 -0.05 -0.51 -0.54 0.00 0.00 174.62 174.27 1j5c s ILE 23 N -0.50 0.40 0.16 2.99 2.07 0.35 -4.42 121.20 122.24 1j5c s ILE 23 Ca 0.09 -1.48 0.01 0.00 -1.41 0.00 0.00 60.65 57.86 1j5c s ILE 23 Cb -0.12 -1.08 -0.04 0.00 0.13 0.00 0.00 42.46 41.35 1j5c s ILE 23 CO 0.02 -0.72 0.32 -0.54 -1.91 0.00 0.00 174.94 172.11 1j5c s LYS 24 N -2.82 3.47 -0.54 3.50 -0.14 -1.26 0.19 119.74 122.14 1j5c s LYS 24 Ca -0.01 -0.47 -0.27 0.00 -1.36 0.00 0.00 55.97 53.87 1j5c s LYS 24 Cb -0.01 -2.93 -0.04 0.00 -1.68 0.00 0.00 37.83 33.18 1j5c s LYS 24 CO -0.04 0.49 2.06 0.00 -0.76 0.00 0.00 175.35 177.10 1j5c s ALA 25 N -1.76 2.04 0.00 5.17 0.00 -1.19 -0.76 121.76 125.26 1j5c s ALA 25 Ca 0.36 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1j5c s ALA 25 Cb -0.11 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1j5c s ALA 25 CO 0.28 -3.98 0.00 0.41 0.00 0.00 0.00 175.76 172.47 1j5c n GLY 26 N 5.79 1.99 3.68 0.00 0.00 0.13 -4.96 105.19 111.82 1j5c n GLY 26 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 1j5c n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j5c n GLU 27 N 0.00 -2.40 -4.51 1.61 -0.58 0.06 -4.67 120.64 110.15 1j5c n GLU 27 Ca 0.00 -1.89 -0.25 0.00 -0.42 0.00 0.00 57.16 54.60 1j5c n GLU 27 Cb 0.00 -1.54 -0.08 0.00 -0.57 0.00 0.00 31.44 29.25 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1j5c s GLU 28 N -5.68 1.91 0.10 3.49 1.03 -1.26 -1.35 118.70 116.93 1j5c s GLU 28 Ca 0.73 -2.15 0.04 0.00 0.03 0.00 0.00 54.97 53.62 1j5c s GLU 28 Cb -0.05 -0.62 -0.04 0.00 -0.80 0.00 0.00 34.13 32.63 1j5c s GLU 28 CO 0.54 -0.46 -0.10 0.08 -1.33 0.00 0.00 175.26 174.00 1j5c s VAL 29 N -3.22 0.92 -0.05 1.83 1.01 0.29 -2.97 120.40 118.21 1j5c s VAL 29 Ca 0.25 -1.67 0.04 0.00 0.00 0.00 0.00 61.98 60.60 1j5c s VAL 29 Cb 0.03 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1j5c s VAL 29 CO 0.15 -0.59 -0.17 -0.75 0.00 0.00 0.00 175.10 173.74 1j5c s LYS 30 N -2.89 1.82 -0.34 2.72 2.20 -0.80 -1.57 119.74 120.89 1j5c s LYS 30 Ca 0.06 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1j5c s LYS 30 Cb -0.02 -1.57 0.10 0.00 -1.51 0.00 0.00 37.83 34.83 1j5c s LYS 30 CO -0.00 0.23 0.07 -1.58 -0.36 0.00 0.00 175.35 173.71 1j5c s TRP 31 N 0.07 3.06 0.17 4.03 0.51 -0.91 -0.33 118.94 125.54 1j5c s TRP 31 Ca -0.05 -2.59 -0.19 0.00 -2.12 0.00 0.00 56.10 51.16 1j5c s TRP 31 Cb -0.12 -2.52 -0.08 0.00 -0.81 0.00 0.00 33.47 29.95 1j5c s TRP 31 CO 0.02 -0.92 0.66 0.08 -0.51 0.00 0.00 176.95 176.28 1j5c s VAL 32 N 1.10 4.65 0.13 4.03 1.01 -1.13 -2.43 120.40 127.76 1j5c s VAL 32 Ca 0.11 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 1j5c s VAL 32 Cb -0.19 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1j5c s VAL 32 CO -0.13 0.31 1.14 0.20 0.00 0.00 0.00 175.10 176.62 1j5c s ASN 33 N -1.52 7.18 -0.01 3.32 0.01 -1.26 -0.51 114.94 122.15 1j5c s ASN 33 Ca 0.38 2.06 -0.02 0.00 -0.71 0.00 0.00 52.86 54.57 1j5c s ASN 33 Cb -0.17 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.89 1j5c s ASN 33 CO 0.21 -0.33 -0.04 -3.20 -1.51 0.00 0.00 177.10 172.23 1j5c n ASN 34 N 3.03 0.29 -1.81 -1.22 2.85 -1.24 -4.71 115.26 112.44 1j5c n ASN 34 Ca 0.05 0.05 -0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1j5c n ASN 34 Cb 0.46 -0.36 0.01 0.00 1.24 0.00 0.00 39.78 41.13 1j5c n ASN 34 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1j5c n LYS 35 N -2.78 0.14 -2.57 1.20 4.81 -1.24 -4.91 118.16 112.81 1j5c n LYS 35 Ca -0.02 -0.38 -0.07 0.00 -0.87 0.00 0.00 58.31 56.98 1j5c n LYS 35 Cb 0.06 0.54 0.03 0.00 0.02 0.00 0.00 35.03 35.68 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j5c n LEU 36 N 0.00 -4.52 -4.87 3.14 4.32 -1.26 -4.80 117.00 109.01 1j5c n LEU 36 Ca 0.00 -0.33 -0.31 0.00 -0.02 0.00 0.00 56.01 55.35 1j5c n LEU 36 Cb 0.19 -2.29 -0.04 0.00 -1.62 0.00 0.00 43.42 39.66 1j5c n LEU 36 CO 0.06 -0.16 0.46 -0.94 -1.22 0.00 0.00 177.39 175.59 1j5c s SER 37 N -3.07 6.60 0.81 -1.43 1.04 -1.26 -4.37 113.70 112.02 1j5c s SER 37 Ca 0.21 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1j5c s SER 37 Cb -0.03 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1j5c s SER 37 CO 0.47 -0.37 0.00 -0.81 0.98 0.00 0.00 173.24 173.51 1j5c n PRO 38 N -1.08 -0.21 -3.76 4.02 -0.04 -1.26 -5.13 135.00 127.53 1j5c n PRO 38 Ca 0.03 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 1j5c n PRO 38 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 1j5c n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1j5c s HIS 39 N -0.81 -0.34 -0.10 0.54 3.76 -0.98 -4.97 115.29 112.38 1j5c s HIS 39 Ca 0.00 0.82 -0.08 0.00 -0.15 0.00 0.00 55.06 55.66 1j5c s HIS 39 Cb 0.00 0.12 0.03 0.00 1.11 0.00 0.00 32.58 33.84 1j5c s HIS 39 CO 0.00 -0.19 0.26 -0.80 -0.85 0.00 0.00 174.74 173.15 1j5c s ASN 40 N 0.04 -0.27 -0.58 1.40 0.01 -1.26 -1.88 114.94 112.39 1j5c s ASN 40 Ca -0.01 0.53 0.06 0.00 -0.71 0.00 0.00 52.86 52.73 1j5c s ASN 40 Cb -0.03 0.49 0.23 0.00 0.41 0.00 0.00 41.25 42.36 1j5c s ASN 40 CO 0.01 -0.12 0.64 -0.38 -1.51 0.00 0.00 177.10 175.74 1j5c n ILE 41 N 3.47 1.38 -2.62 0.60 5.41 -1.08 -3.91 119.36 122.62 1j5c n ILE 41 Ca -0.18 -4.80 -0.40 0.00 1.00 0.00 0.00 62.75 58.36 1j5c n ILE 41 Cb 0.56 -2.06 -0.05 0.00 -0.71 0.00 0.00 39.64 37.39 1j5c n ILE 41 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1j5c s VAL 42 N -1.92 3.90 0.05 1.39 1.01 -1.00 -1.38 120.40 122.45 1j5c s VAL 42 Ca 0.36 1.81 0.04 0.00 0.00 0.00 0.00 61.98 64.19 1j5c s VAL 42 Cb 0.12 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1j5c s VAL 42 CO -0.06 0.39 -0.02 -0.36 0.00 0.00 0.00 175.10 175.04 1j5c s PHE 43 N -0.84 2.96 0.00 5.22 0.40 -1.26 -1.78 117.98 122.69 1j5c s PHE 43 Ca 0.44 -0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 56.75 1j5c s PHE 43 Cb -0.28 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 1j5c s PHE 43 CO 0.35 0.45 0.13 0.00 0.70 0.00 0.00 175.22 176.85 1j5c s ALA 44 N -1.19 3.75 -1.22 5.36 0.00 -0.51 -4.77 121.76 123.19 1j5c s ALA 44 Ca 0.22 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 1j5c s ALA 44 Cb -0.11 -1.70 0.18 0.00 0.00 0.00 0.00 23.12 21.48 1j5c s ALA 44 CO 0.14 0.73 1.51 0.00 0.00 0.00 0.00 175.76 178.13 1j5c n ALA 45 N 0.98 4.18 -3.55 0.00 0.00 -1.26 -4.13 120.51 116.73 1j5c n ALA 45 Ca -0.11 -4.28 -0.41 0.00 0.00 0.00 0.00 53.44 48.64 1j5c n ALA 45 Cb 0.52 -3.01 -0.08 0.00 0.00 0.00 0.00 19.45 16.88 1j5c n ALA 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j5c s ASP 46 N 2.36 5.77 0.00 0.00 2.15 -1.26 -4.49 116.67 121.19 1j5c s ASP 46 Ca 0.42 -2.18 0.00 0.00 0.43 0.00 0.00 52.55 51.21 1j5c s ASP 46 Cb -0.01 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.60 1j5c s ASP 46 CO 0.00 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 1j5c n GLY 47 N 4.54 2.98 3.92 2.66 0.00 -1.26 -4.90 105.19 113.12 1j5c n GLY 47 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1j5c n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5c s VAL 48 N -1.78 5.20 0.80 1.61 1.01 -1.26 -5.06 120.40 120.92 1j5c s VAL 48 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 1j5c s VAL 48 Cb 0.00 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1j5c s VAL 48 CO 0.00 -0.10 0.66 0.47 0.00 0.00 0.00 175.10 176.13 1j5c n ASP 49 N -0.38 -0.88 0.10 3.32 8.00 -1.26 -4.75 116.55 120.70 1j5c n ASP 49 Ca -0.04 0.53 -0.10 0.00 0.71 0.00 0.00 54.79 55.89 1j5c n ASP 49 Cb 0.53 -1.28 -0.07 0.00 -0.02 0.00 0.00 41.12 40.28 1j5c n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5c h ALA 50 N -0.78 -0.33 -0.99 2.24 0.00 -1.97 -1.31 119.26 116.13 1j5c h ALA 50 Ca -0.45 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.48 1j5c h ALA 50 Cb 1.32 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 1j5c h ALA 50 CO 0.41 -0.38 0.58 0.22 0.00 0.00 0.00 179.25 180.08 1j5c h ASP 51 N -0.94 0.69 0.19 0.00 1.82 -1.99 0.35 116.42 116.54 1j5c h ASP 51 Ca -0.03 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 1j5c h ASP 51 Cb 0.49 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1j5c h ASP 51 CO 0.06 0.18 -0.09 0.74 -1.61 0.00 0.00 179.24 178.51 1j5c h THR 52 N 0.65 0.00 -1.08 2.25 2.02 -1.92 -2.75 112.91 112.08 1j5c h THR 52 Ca 0.60 -0.05 0.35 0.00 0.77 0.00 0.00 66.41 68.08 1j5c h THR 52 Cb 1.03 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.30 1j5c h THR 52 CO -0.43 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.10 1j5c h ALA 53 N -1.83 2.19 -0.04 6.16 0.00 -0.73 0.35 119.26 125.35 1j5c h ALA 53 Ca -0.03 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1j5c h ALA 53 Cb 0.20 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1j5c h ALA 53 CO 0.04 -0.80 -0.49 0.00 0.00 0.00 0.00 179.25 178.01 1j5c h ALA 54 N 1.78 -0.80 -0.81 0.00 0.00 -0.19 1.60 119.26 120.84 1j5c h ALA 54 Ca 0.75 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.66 1j5c h ALA 54 Cb 1.92 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 20.52 1j5c h ALA 54 CO -0.55 -1.04 0.49 -0.22 0.00 0.00 0.00 179.25 177.94 1j5c h LYS 55 N -0.61 0.87 0.00 0.00 3.64 -0.08 0.63 116.57 121.03 1j5c h LYS 55 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1j5c h LYS 55 Cb 0.69 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1j5c h LYS 55 CO -0.36 0.57 0.00 1.28 -2.27 0.00 0.00 179.45 178.67 1j5c n LEU 56 N -4.66 0.00 -4.76 5.20 4.32 -0.19 -4.68 117.00 112.23 1j5c n LEU 56 Ca 0.11 0.25 -0.38 0.00 -0.02 0.00 0.00 56.01 55.97 1j5c n LEU 56 Cb 0.17 -0.25 -0.06 0.00 -1.62 0.00 0.00 43.42 41.67 1j5c n LEU 56 CO 0.30 -0.09 0.17 -0.94 -1.22 0.00 0.00 177.39 175.62 1j5c s SER 57 N -2.49 6.77 -0.42 -1.43 1.04 0.53 -4.44 113.70 113.25 1j5c s SER 57 Ca 0.20 0.91 -0.03 0.00 0.48 0.00 0.00 55.95 57.51 1j5c s SER 57 Cb 0.13 -2.29 0.11 0.00 0.10 0.00 0.00 66.02 64.08 1j5c s SER 57 CO 0.29 0.10 0.22 -1.00 0.98 0.00 0.00 173.24 173.84 1j5c s HIS 58 N 0.04 3.57 0.50 5.02 3.76 -0.48 -4.85 115.29 122.84 1j5c s HIS 58 Ca 0.26 -2.39 0.37 0.00 -0.15 0.00 0.00 55.06 53.15 1j5c s HIS 58 Cb -0.16 -3.25 1.52 0.00 1.11 0.00 0.00 32.58 31.81 1j5c s HIS 58 CO 0.12 -0.97 1.67 0.87 -0.85 0.00 0.00 174.74 175.58 1j5c h LYS 59 N 8.04 0.07 0.00 1.40 1.57 -1.93 -2.77 116.57 122.95 1j5c h LYS 59 Ca -0.13 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1j5c h LYS 59 Cb 1.05 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1j5c h LYS 59 CO 0.71 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 180.04 1j5c n GLY 60 N -1.70 2.00 1.70 3.86 0.00 -1.26 -4.70 105.19 105.08 1j5c n GLY 60 Ca 0.35 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.96 1j5c n GLY 60 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5c n LEU 61 N 0.00 -0.17 -4.40 0.99 -0.00 -0.79 -4.90 117.00 107.72 1j5c n LEU 61 Ca 0.00 -1.09 -0.41 0.00 -0.00 0.00 0.00 56.01 54.51 1j5c n LEU 61 Cb 0.00 1.00 -0.11 0.00 -0.00 0.00 0.00 43.42 44.31 1j5c n LEU 61 CO 0.00 1.00 -0.14 0.00 -0.00 0.00 0.00 177.39 178.25 1j5c s ALA 62 N 0.00 3.33 0.07 1.96 0.00 -1.11 -4.89 121.76 121.12 1j5c s ALA 62 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1j5c s ALA 62 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1j5c s ALA 62 CO -0.00 -1.35 0.00 1.19 0.00 0.00 0.00 175.76 175.60 1j5c n PHE 63 N 5.03 -0.19 -2.82 0.00 3.01 -1.26 -2.33 117.46 118.90 1j5c n PHE 63 Ca -0.12 0.03 -0.39 0.00 1.01 0.00 0.00 57.45 57.99 1j5c n PHE 63 Cb 0.47 0.07 -0.06 0.00 -0.01 0.00 0.00 39.48 39.94 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j5c s ALA 64 N -2.00 3.31 -1.06 4.37 0.00 -1.26 -4.86 121.76 120.26 1j5c s ALA 64 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 1j5c s ALA 64 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1j5c s ALA 64 CO 0.00 0.22 1.80 0.00 0.00 0.00 0.00 175.76 177.77 1j5c s ALA 65 N -1.36 2.19 0.00 0.00 0.00 -1.26 -3.09 121.76 118.25 1j5c s ALA 65 Ca 0.44 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1j5c s ALA 65 Cb -0.22 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.30 1j5c s ALA 65 CO 0.27 -4.41 0.00 0.41 0.00 0.00 0.00 175.76 172.04 1j5c n GLY 66 N 6.38 0.03 3.55 0.00 0.00 -1.26 -5.03 105.19 108.87 1j5c n GLY 66 Ca 0.41 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 1j5c n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5c s GLU 67 N 0.00 3.23 0.12 1.61 2.02 -1.18 -4.95 118.70 119.55 1j5c s GLU 67 Ca 0.00 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 54.86 1j5c s GLU 67 Cb 0.00 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.03 1j5c s GLU 67 CO 0.00 -2.10 0.00 -1.54 0.02 0.00 0.00 175.26 171.65 1j5c s SER 68 N 3.65 4.96 0.46 -0.19 1.04 -1.26 -4.43 113.70 117.92 1j5c s SER 68 Ca 0.36 -0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1j5c s SER 68 Cb -0.08 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.90 1j5c s SER 68 CO 0.16 0.14 0.49 -0.36 0.98 0.00 0.00 173.24 174.65 1j5c s PHE 69 N -1.44 2.42 0.03 5.02 0.08 -1.02 -4.95 117.98 118.12 1j5c s PHE 69 Ca 0.26 -0.54 -0.06 0.00 0.12 0.00 0.00 56.93 56.71 1j5c s PHE 69 Cb -0.11 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1j5c s PHE 69 CO 0.18 -0.39 0.10 0.99 -0.10 0.00 0.00 175.22 176.01 1j5c s THR 70 N -2.51 0.13 -0.01 0.64 2.01 -1.26 -2.13 115.64 112.51 1j5c s THR 70 Ca 0.50 -1.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 1j5c s THR 70 Cb -0.05 -0.83 0.01 0.00 0.01 0.00 0.00 72.50 71.63 1j5c s THR 70 CO 0.30 -0.58 0.17 -0.55 -0.69 0.00 0.00 174.62 173.27 1j5c s SER 71 N -2.03 -0.03 -0.10 3.53 0.15 -0.61 -4.94 113.70 109.67 1j5c s SER 71 Ca -0.06 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1j5c s SER 71 Cb -0.02 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1j5c s SER 71 CO -0.04 -0.34 -0.19 -0.89 1.20 0.00 0.00 173.24 172.98 1j5c s THR 72 N -1.20 1.72 -0.52 6.45 2.01 -1.26 0.11 115.64 122.94 1j5c s THR 72 Ca -0.13 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 60.96 1j5c s THR 72 Cb -0.07 -1.53 0.13 0.00 0.01 0.00 0.00 72.50 71.05 1j5c s THR 72 CO 0.02 0.48 0.42 -0.36 -0.69 0.00 0.00 174.62 174.49 1j5c s PHE 73 N 0.67 3.39 0.04 4.92 0.40 -0.46 -4.89 117.98 122.05 1j5c s PHE 73 Ca -0.12 -1.73 -0.07 0.00 -0.60 0.00 0.00 56.93 54.40 1j5c s PHE 73 Cb -0.16 -3.60 -0.30 0.00 0.51 0.00 0.00 43.02 39.46 1j5c s PHE 73 CO 0.03 -1.00 1.01 1.15 0.70 0.00 0.00 175.22 177.11 1j5c h THR 74 N 5.95 1.32 -3.44 0.64 2.02 -1.89 0.36 112.91 117.87 1j5c h THR 74 Ca -0.21 -2.87 -0.59 0.00 0.77 0.00 0.00 66.41 63.50 1j5c h THR 74 Cb 1.07 2.92 -0.10 0.00 -1.74 0.00 0.00 68.15 70.30 1j5c h THR 74 CO 0.91 0.85 -0.09 -1.61 0.37 0.00 0.00 175.52 175.94 1j5c s GLU 75 N -2.63 4.22 -1.08 6.66 0.41 -1.26 -4.37 118.70 120.65 1j5c s GLU 75 Ca -0.07 0.38 -0.22 0.00 -0.41 0.00 0.00 54.97 54.64 1j5c s GLU 75 Cb 0.06 -3.53 -0.00 0.00 -1.78 0.00 0.00 34.13 28.88 1j5c s GLU 75 CO 0.89 -0.06 1.75 -1.25 -0.49 0.00 0.00 175.26 176.10 1j5c s PRO 76 N 1.36 3.17 0.00 0.39 0.04 -1.26 -4.80 135.00 133.89 1j5c s PRO 76 Ca 0.23 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.18 1j5c s PRO 76 Cb -0.15 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1j5c s PRO 76 CO 0.09 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.64 1j5c n GLY 77 N 6.34 5.19 2.69 0.56 0.00 -1.26 -4.94 105.19 113.77 1j5c n GLY 77 Ca 0.41 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1j5c n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5c s THR 78 N 0.78 0.58 0.56 2.61 2.01 -1.26 -2.22 115.64 118.71 1j5c s THR 78 Ca 0.00 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 1j5c s THR 78 Cb 0.00 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1j5c s THR 78 CO 0.00 -0.56 0.95 -0.31 -0.69 0.00 0.00 174.62 174.01 1j5c s TYR 79 N 1.78 3.59 0.14 4.92 1.51 -1.23 -4.91 117.35 123.14 1j5c s TYR 79 Ca 0.07 1.18 0.10 0.00 -1.01 0.00 0.00 57.07 57.40 1j5c s TYR 79 Cb -0.17 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 1j5c s TYR 79 CO -0.23 -0.52 -0.24 0.99 -1.11 0.00 0.00 175.55 174.43 1j5c s THR 80 N -2.97 2.10 -0.07 -0.71 2.01 -1.26 -2.26 115.64 112.49 1j5c s THR 80 Ca 0.53 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.47 1j5c s THR 80 Cb -0.11 -1.89 0.11 0.00 0.01 0.00 0.00 72.50 70.62 1j5c s THR 80 CO 0.48 -0.01 0.96 -0.72 -0.69 0.00 0.00 174.62 174.64 1j5c s TYR 81 N -1.26 -0.33 0.05 4.92 -0.85 -0.93 -1.42 117.35 117.54 1j5c s TYR 81 Ca 0.13 0.30 -0.09 0.00 -0.52 0.00 0.00 57.07 56.90 1j5c s TYR 81 Cb -0.09 0.51 0.03 0.00 0.38 0.00 0.00 41.96 42.79 1j5c s TYR 81 CO 0.06 -0.45 0.42 2.48 -1.52 0.00 0.00 175.55 176.55 1j5c n TYR 82 N 0.03 -0.73 -3.61 -3.49 0.18 -0.74 -2.66 117.16 106.15 1j5c n TYR 82 Ca -0.08 -0.44 -0.39 0.00 1.88 0.00 0.00 57.90 58.86 1j5c n TYR 82 Cb 0.60 0.21 -0.08 0.00 -0.38 0.00 0.00 39.34 39.70 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1j5c h GLU 84 N 7.53 -0.39 -2.74 0.00 5.08 -1.93 -3.29 114.58 118.84 1j5c h GLU 84 Ca -0.03 0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 1j5c h GLU 84 Cb 1.00 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1j5c h GLU 84 CO 0.75 -0.07 1.45 -0.35 -1.00 0.00 0.00 179.01 179.80 1j5c n PRO 85 N -5.07 2.13 -3.83 2.33 -0.04 -1.26 -4.75 135.00 124.50 1j5c n PRO 85 Ca -0.08 -1.25 -0.13 0.00 -0.04 0.00 0.00 63.50 62.00 1j5c n PRO 85 Cb 0.26 -2.23 -0.14 0.00 -0.04 0.00 0.00 33.50 31.35 1j5c n PRO 85 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1j5c s HIS 86 N 2.17 -0.01 -0.59 0.54 2.46 -1.24 -4.91 115.29 113.70 1j5c s HIS 86 Ca 0.51 0.09 -0.39 0.00 0.47 0.00 0.00 55.06 55.74 1j5c s HIS 86 Cb 0.19 -0.06 -0.19 0.00 -0.13 0.00 0.00 32.58 32.39 1j5c s HIS 86 CO -0.02 -0.04 2.18 0.54 -2.47 0.00 0.00 174.74 174.93 1j5c n ARG 87 N 3.42 0.00 -1.29 2.88 3.00 -1.26 -4.49 116.66 118.91 1j5c n ARG 87 Ca -0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.38 1j5c n ARG 87 Cb 0.57 -1.43 -0.15 0.00 0.00 0.00 0.00 32.46 31.44 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j5c n GLY 88 N 6.94 -0.43 1.45 -0.13 0.00 -1.26 -4.51 105.19 107.26 1j5c n GLY 88 Ca 0.55 0.63 0.00 0.00 0.00 0.00 0.00 46.02 47.20 1j5c n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c n ALA 89 N 7.47 3.00 0.00 4.61 0.00 -1.26 -5.13 120.51 129.20 1j5c n ALA 89 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1j5c n ALA 89 Cb 0.06 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1j5c n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5c n GLY 90 N 2.54 2.40 2.91 0.00 0.00 -1.26 -5.14 105.19 106.64 1j5c n GLY 90 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1j5c n GLY 90 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j5c s MET 91 N -0.53 0.69 -0.16 1.61 1.00 -1.26 -4.43 119.30 116.22 1j5c s MET 91 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 55.69 55.06 1j5c s MET 91 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 34.83 34.39 1j5c s MET 91 CO 0.00 -1.19 -0.16 0.14 0.00 0.00 0.00 175.02 173.81 1j5c s VAL 92 N 1.61 2.58 -0.05 -6.03 -7.23 -1.26 -3.94 120.40 106.07 1j5c s VAL 92 Ca 0.16 -0.80 -0.06 0.00 -1.81 0.00 0.00 61.98 59.47 1j5c s VAL 92 Cb -0.12 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.75 1j5c s VAL 92 CO -0.06 0.52 0.17 -0.83 -0.31 0.00 0.00 175.10 174.59 1j5c s GLY 93 N 0.87 -0.10 -0.02 2.32 0.00 -1.09 -4.88 107.32 104.43 1j5c s GLY 93 Ca -0.04 0.37 -0.05 0.00 0.00 0.00 0.00 44.72 45.00 1j5c s GLY 93 CO -0.01 0.29 0.10 0.54 0.00 0.00 0.00 173.10 174.01 1j5c s LYS 94 N -0.22 0.30 0.36 2.90 1.02 -0.96 -2.19 119.74 120.95 1j5c s LYS 94 Ca -0.03 -0.18 0.06 0.00 0.02 0.00 0.00 55.97 55.83 1j5c s LYS 94 Cb -0.03 0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.40 1j5c s LYS 94 CO 0.01 -0.06 0.51 0.08 -0.92 0.00 0.00 175.35 174.97 1j5c s VAL 95 N -0.74 4.02 -0.08 3.17 1.01 -0.96 -4.16 120.40 122.65 1j5c s VAL 95 Ca -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1j5c s VAL 95 Cb -0.05 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1j5c s VAL 95 CO 0.00 -0.18 0.16 -0.69 0.00 0.00 0.00 175.10 174.39 1j5c s VAL 96 N -2.25 -0.23 0.20 2.92 1.01 -1.17 -3.58 120.40 117.30 1j5c s VAL 96 Ca 0.46 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 1j5c s VAL 96 Cb -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1j5c s VAL 96 CO 0.32 0.14 0.38 -0.69 0.00 0.00 0.00 175.10 175.25 1j5c s VAL 97 N 2.12 5.22 0.00 2.92 1.01 -0.94 -0.49 120.40 130.24 1j5c s VAL 97 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1j5c s VAL 97 Cb -0.12 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1j5c s VAL 97 CO -0.06 -0.17 0.14 -0.67 0.00 0.00 0.00 175.10 174.35