#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 6.44 0.18 0.00 2.20 -1.26 -4.70 114.94 117.80 1j5c s ASN 2 Ca 0.00 1.11 0.04 0.00 -0.94 0.00 0.00 52.86 53.07 1j5c s ASN 2 Cb 0.00 -2.32 -0.03 0.00 -2.00 0.00 0.00 41.25 36.90 1j5c s ASN 2 CO 0.00 -0.48 0.27 0.00 -2.94 0.00 0.00 177.10 173.94 1j5c s ALA 3 N -2.53 3.85 0.04 3.54 0.00 -1.21 -4.98 121.76 120.46 1j5c s ALA 3 Ca 0.51 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1j5c s ALA 3 Cb -0.10 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1j5c s ALA 3 CO 0.36 0.43 -0.04 -0.08 0.00 0.00 0.00 175.76 176.43 1j5c s THR 4 N -1.84 0.26 -0.08 0.00 -1.32 -1.26 -0.54 115.64 110.86 1j5c s THR 4 Ca 0.34 -1.25 -0.06 0.00 -1.21 0.00 0.00 61.69 59.50 1j5c s THR 4 Cb -0.10 -0.75 0.02 0.00 -1.51 0.00 0.00 72.50 70.16 1j5c s THR 4 CO 0.27 -0.63 0.20 -0.69 -2.21 0.00 0.00 174.62 171.56 1j5c s VAL 5 N -2.24 -0.01 -0.15 5.08 1.01 -0.37 -4.63 120.40 119.10 1j5c s VAL 5 Ca -0.07 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 1j5c s VAL 5 Cb -0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1j5c s VAL 5 CO -0.03 0.01 0.35 -0.54 0.00 0.00 0.00 175.10 174.89 1j5c s LYS 6 N 0.33 4.28 -1.20 2.72 1.02 -1.24 -1.57 119.74 124.08 1j5c s LYS 6 Ca -0.02 0.19 -0.20 0.00 0.02 0.00 0.00 55.97 55.96 1j5c s LYS 6 Cb -0.03 -3.44 0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1j5c s LYS 6 CO -0.01 0.20 1.71 -1.64 -0.92 0.00 0.00 175.35 174.69 1j5c s MET 7 N 0.57 3.61 0.00 1.68 -1.94 0.02 -3.95 119.30 119.28 1j5c s MET 7 Ca 0.19 -1.59 0.00 0.00 -1.71 0.00 0.00 55.69 52.58 1j5c s MET 7 Cb -0.14 -5.43 0.00 0.00 2.01 0.00 0.00 34.83 31.27 1j5c s MET 7 CO 0.06 -2.56 0.00 0.41 -0.01 0.00 0.00 175.02 172.92 1j5c n GLY 8 N 5.88 0.44 3.02 -0.03 0.00 -1.04 -3.24 105.19 110.21 1j5c n GLY 8 Ca 0.44 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1j5c n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5c s SER 9 N -4.00 0.42 0.14 1.61 0.01 -1.24 -4.32 113.70 106.32 1j5c s SER 9 Ca 0.00 -0.59 -0.31 0.00 1.31 0.00 0.00 55.95 56.36 1j5c s SER 9 Cb 0.00 0.10 -0.07 0.00 0.21 0.00 0.00 66.02 66.25 1j5c s SER 9 CO 0.00 -0.32 1.56 0.44 0.41 0.00 0.00 173.24 175.32 1j5c h ASP 10 N 4.39 -1.74 0.34 2.44 3.32 -1.97 -2.47 116.42 120.72 1j5c h ASP 10 Ca -0.33 0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1j5c h ASP 10 Cb 1.20 0.72 -0.01 0.00 0.22 0.00 0.00 39.33 41.46 1j5c h ASP 10 CO 0.45 -0.40 -0.31 -1.28 -1.72 0.00 0.00 179.24 175.98 1j5c h SER 11 N -0.38 -0.83 0.00 6.45 0.87 -2.03 -3.48 113.55 114.15 1j5c h SER 11 Ca 0.09 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1j5c h SER 11 Cb 0.60 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1j5c h SER 11 CO -0.59 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 175.90 1j5c n GLY 12 N -1.35 0.68 2.99 5.77 0.00 -0.93 -5.08 105.19 107.26 1j5c n GLY 12 Ca -0.08 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 0.13 -1.22 4.61 0.00 -1.26 -4.94 121.76 119.07 1j5c s ALA 13 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 1j5c s ALA 13 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1j5c s ALA 13 CO 0.00 -0.17 2.77 1.28 0.00 0.00 0.00 175.76 179.64 1j5c n LEU 14 N 1.53 7.90 -4.23 0.00 4.32 -1.26 -3.66 117.00 121.60 1j5c n LEU 14 Ca -0.24 -4.44 -0.13 0.00 -0.02 0.00 0.00 56.01 51.19 1j5c n LEU 14 Cb 0.55 -1.43 -0.10 0.00 -1.62 0.00 0.00 43.42 40.82 1j5c n LEU 14 CO 0.20 2.00 -0.30 0.68 -1.22 0.00 0.00 177.39 178.75 1j5c s VAL 15 N 0.22 0.46 -0.23 4.08 -7.23 -1.26 -3.95 120.40 112.49 1j5c s VAL 15 Ca 0.62 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1j5c s VAL 15 Cb 0.22 -2.22 0.06 0.00 0.56 0.00 0.00 36.38 34.99 1j5c s VAL 15 CO -0.09 -0.35 -0.05 -0.36 -0.31 0.00 0.00 175.10 173.94 1j5c s PHE 16 N -3.81 2.28 -0.08 2.82 0.08 -1.26 -2.48 117.98 115.52 1j5c s PHE 16 Ca 0.28 -1.67 0.02 0.00 0.12 0.00 0.00 56.93 55.67 1j5c s PHE 16 Cb 0.07 -1.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 1j5c s PHE 16 CO 0.06 -0.76 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.28 1j5c s GLU 17 N 1.43 1.93 0.31 0.44 2.12 -1.25 -0.27 118.70 123.41 1j5c s GLU 17 Ca -0.05 -0.48 -0.28 0.00 0.36 0.00 0.00 54.97 54.52 1j5c s GLU 17 Cb -0.19 -1.61 -0.09 0.00 0.26 0.00 0.00 34.13 32.50 1j5c s GLU 17 CO -0.06 0.00 1.07 -1.25 -0.54 0.00 0.00 175.26 174.48 1j5c s PRO 18 N 0.77 4.54 0.00 4.30 0.04 -1.26 -3.65 135.00 139.74 1j5c s PRO 18 Ca -0.12 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.43 1j5c s PRO 18 Cb -0.16 -3.04 -0.23 0.00 0.04 0.00 0.00 34.50 31.12 1j5c s PRO 18 CO 0.02 0.15 1.11 1.03 0.04 0.00 0.00 177.00 179.35 1j5c h SER 19 N 3.52 0.51 -3.57 6.66 0.87 -1.00 -3.45 113.55 117.10 1j5c h SER 19 Ca -0.47 -0.75 -0.67 0.00 -1.23 0.00 0.00 61.79 58.67 1j5c h SER 19 Cb 1.21 -0.16 -0.25 0.00 -0.44 0.00 0.00 62.40 62.76 1j5c h SER 19 CO 0.66 1.19 -0.76 -0.89 -0.53 0.00 0.00 176.83 176.50 1j5c s THR 20 N -3.25 3.09 0.19 2.23 2.01 -1.25 -2.12 115.64 116.53 1j5c s THR 20 Ca -0.13 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 1j5c s THR 20 Cb 0.03 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1j5c s THR 20 CO 0.82 0.55 0.25 0.68 -0.69 0.00 0.00 174.62 176.22 1j5c s VAL 21 N -0.04 0.04 0.09 3.82 -7.23 -1.25 -5.05 120.40 110.78 1j5c s VAL 21 Ca -0.03 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1j5c s VAL 21 Cb -0.14 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1j5c s VAL 21 CO 0.04 -0.18 0.25 0.42 -0.31 0.00 0.00 175.10 175.32 1j5c s THR 22 N -4.04 5.34 -0.04 5.32 -4.23 -1.26 -2.71 115.64 114.01 1j5c s THR 22 Ca 0.25 -0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 60.33 1j5c s THR 22 Cb 0.04 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.25 1j5c s THR 22 CO 0.06 0.08 0.19 -0.51 -0.54 0.00 0.00 174.62 173.90 1j5c s ILE 23 N -1.57 0.03 0.09 2.99 -1.16 -0.35 -4.52 121.20 116.72 1j5c s ILE 23 Ca 0.36 -0.26 -0.20 0.00 -0.51 0.00 0.00 60.65 60.04 1j5c s ILE 23 Cb -0.13 -0.35 -0.07 0.00 0.61 0.00 0.00 42.46 42.52 1j5c s ILE 23 CO 0.28 -0.14 0.61 -0.54 -2.81 0.00 0.00 174.94 172.33 1j5c s LYS 24 N -0.48 4.27 -0.53 3.50 -0.14 -1.26 0.87 119.74 125.96 1j5c s LYS 24 Ca -0.06 0.82 -0.26 0.00 -1.36 0.00 0.00 55.97 55.11 1j5c s LYS 24 Cb -0.04 -3.23 -0.07 0.00 -1.68 0.00 0.00 37.83 32.81 1j5c s LYS 24 CO 0.01 0.62 2.34 0.00 -0.76 0.00 0.00 175.35 177.57 1j5c s ALA 25 N -1.13 1.61 0.00 5.17 0.00 -1.26 -0.29 121.76 125.85 1j5c s ALA 25 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1j5c s ALA 25 Cb -0.20 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.55 1j5c s ALA 25 CO 0.20 -4.54 0.00 0.41 0.00 0.00 0.00 175.76 171.84 1j5c n GLY 26 N 6.05 1.12 3.26 0.00 0.00 0.25 -4.94 105.19 110.92 1j5c n GLY 26 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.13 -4.35 1.61 -0.58 0.60 -4.63 120.64 111.15 1j5c n GLU 27 Ca 0.00 -1.68 -0.18 0.00 -0.42 0.00 0.00 57.16 54.88 1j5c n GLU 27 Cb 0.00 -1.35 -0.10 0.00 -0.57 0.00 0.00 31.44 29.42 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 -5.38 1.52 0.22 3.49 4.04 -1.25 -0.99 118.70 120.34 1j5c s GLU 28 Ca 0.65 -1.85 0.07 0.00 0.04 0.00 0.00 54.97 53.88 1j5c s GLU 28 Cb -0.04 -0.34 -0.05 0.00 0.02 0.00 0.00 34.13 33.72 1j5c s GLU 28 CO 0.48 -0.33 -0.12 0.08 -1.84 0.00 0.00 175.26 173.53 1j5c s VAL 29 N -3.62 1.69 -0.14 1.83 1.01 0.15 -3.31 120.40 118.01 1j5c s VAL 29 Ca 0.36 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1j5c s VAL 29 Cb 0.07 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1j5c s VAL 29 CO 0.15 -0.53 -0.14 -0.75 0.00 0.00 0.00 175.10 173.83 1j5c s LYS 30 N -3.67 2.23 -0.48 2.72 2.20 0.29 -2.21 119.74 120.82 1j5c s LYS 30 Ca 0.24 -0.53 -0.09 0.00 -0.36 0.00 0.00 55.97 55.22 1j5c s LYS 30 Cb 0.00 -2.04 0.12 0.00 -1.51 0.00 0.00 37.83 34.41 1j5c s LYS 30 CO 0.08 -0.22 0.35 -1.58 -0.36 0.00 0.00 175.35 173.62 1j5c s TRP 31 N 1.44 3.43 0.18 4.03 0.51 -0.53 -1.24 118.94 126.77 1j5c s TRP 31 Ca 0.04 -1.88 -0.20 0.00 -2.12 0.00 0.00 56.10 51.94 1j5c s TRP 31 Cb -0.13 -3.51 -0.08 0.00 -0.81 0.00 0.00 33.47 28.94 1j5c s TRP 31 CO -0.09 -0.99 0.69 0.08 -0.51 0.00 0.00 176.95 176.12 1j5c s VAL 32 N 1.34 4.60 -0.19 4.03 1.01 -0.61 -2.63 120.40 127.95 1j5c s VAL 32 Ca 0.06 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.07 1j5c s VAL 32 Cb -0.26 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1j5c s VAL 32 CO -0.01 0.31 0.78 0.21 0.00 0.00 0.00 175.10 176.39 1j5c s ASN 33 N -1.51 6.86 0.00 3.32 3.84 -1.26 -0.80 114.94 125.38 1j5c s ASN 33 Ca 0.39 1.05 0.00 0.00 0.21 0.00 0.00 52.86 54.52 1j5c s ASN 33 Cb -0.18 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1j5c s ASN 33 CO 0.21 -0.39 0.00 -3.20 -2.79 0.00 0.00 177.10 170.93 1j5c n ASN 34 N 5.36 0.00 -2.99 -4.21 2.85 -1.20 -4.53 115.26 110.54 1j5c n ASN 34 Ca 0.03 0.06 -0.08 0.00 -0.11 0.00 0.00 54.58 54.48 1j5c n ASN 34 Cb 0.49 -0.14 0.02 0.00 1.24 0.00 0.00 39.78 41.39 1j5c n ASN 34 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1j5c s LYS 35 N -0.28 2.09 -0.27 1.20 2.36 -1.21 -4.80 119.74 118.83 1j5c s LYS 35 Ca 0.00 -1.35 -0.00 0.00 -2.55 0.00 0.00 55.97 52.07 1j5c s LYS 35 Cb 0.00 0.58 0.00 0.00 -1.05 0.00 0.00 37.83 37.36 1j5c s LYS 35 CO 0.00 -0.98 0.26 1.28 1.55 0.00 0.00 175.35 177.46 1j5c n LEU 36 N -0.56 -3.81 -4.90 5.43 7.99 -1.26 -4.54 117.00 115.34 1j5c n LEU 36 Ca -0.08 -0.02 -0.28 0.00 -0.01 0.00 0.00 56.01 55.63 1j5c n LEU 36 Cb 0.60 -1.87 -0.02 0.00 -0.11 0.00 0.00 43.42 42.02 1j5c n LEU 36 CO 0.26 -0.44 0.33 -0.94 -1.51 0.00 0.00 177.39 175.09 1j5c s SER 37 N -2.35 6.38 0.96 -1.43 1.04 -1.26 -4.44 113.70 112.60 1j5c s SER 37 Ca 0.00 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1j5c s SER 37 Cb -0.00 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1j5c s SER 37 CO 0.28 -0.38 0.00 -0.81 0.98 0.00 0.00 173.24 173.31 1j5c n PRO 38 N -1.58 -0.43 -3.24 4.02 -0.04 -1.26 -5.08 135.00 127.39 1j5c n PRO 38 Ca -0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1j5c n PRO 38 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.96 -1.39 -0.03 0.54 3.76 -1.16 -4.94 115.29 111.11 1j5c s HIS 39 Ca 0.00 0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 54.95 1j5c s HIS 39 Cb 0.00 0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.76 1j5c s HIS 39 CO 0.00 -1.10 0.40 -0.80 -0.85 0.00 0.00 174.74 172.39 1j5c s ASN 40 N 2.01 6.75 -0.63 1.40 -0.87 -1.26 -4.11 114.94 118.23 1j5c s ASN 40 Ca 0.14 0.89 0.05 0.00 -1.57 0.00 0.00 52.86 52.38 1j5c s ASN 40 Cb -0.08 -2.24 0.29 0.00 -0.02 0.00 0.00 41.25 39.20 1j5c s ASN 40 CO -0.12 0.28 0.87 -0.38 -2.57 0.00 0.00 177.10 175.18 1j5c n ILE 41 N 2.16 2.82 -2.80 0.60 5.41 -1.26 -4.43 119.36 121.87 1j5c n ILE 41 Ca -0.13 -5.41 -0.41 0.00 1.00 0.00 0.00 62.75 57.79 1j5c n ILE 41 Cb 0.52 -1.80 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 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 -3.36 4.91 -0.05 1.39 1.01 -1.24 -1.95 120.40 121.12 1j5c s VAL 42 Ca 0.43 1.90 -0.03 0.00 0.00 0.00 0.00 61.98 64.28 1j5c s VAL 42 Cb 0.20 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1j5c s VAL 42 CO -0.06 0.18 0.11 -0.36 0.00 0.00 0.00 175.10 174.96 1j5c s PHE 43 N 0.99 3.41 -0.00 5.22 0.40 -1.26 -2.00 117.98 124.74 1j5c s PHE 43 Ca 0.48 0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 57.11 1j5c s PHE 43 Cb -0.20 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 1j5c s PHE 43 CO 0.25 0.61 0.20 0.00 0.70 0.00 0.00 175.22 176.98 1j5c s ALA 44 N -1.13 3.95 -1.28 5.36 0.00 0.12 -4.66 121.76 124.12 1j5c s ALA 44 Ca 0.20 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 1j5c s ALA 44 Cb -0.12 -1.90 0.14 0.00 0.00 0.00 0.00 23.12 21.24 1j5c s ALA 44 CO 0.10 0.74 1.75 0.00 0.00 0.00 0.00 175.76 178.36 1j5c n ALA 45 N 0.89 4.61 -3.29 0.00 0.00 -1.26 -4.20 120.51 117.25 1j5c n ALA 45 Ca -0.10 -4.17 -0.46 0.00 0.00 0.00 0.00 53.44 48.71 1j5c n ALA 45 Cb 0.52 -3.17 -0.05 0.00 0.00 0.00 0.00 19.45 16.75 1j5c n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j5c s ASP 46 N 2.35 6.19 0.00 0.00 1.01 -1.26 -4.35 116.67 120.60 1j5c s ASP 46 Ca 0.44 -1.76 0.00 0.00 0.71 0.00 0.00 52.55 51.93 1j5c s ASP 46 Cb 0.05 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1j5c s ASP 46 CO 0.00 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.12 1j5c n GLY 47 N 5.25 2.80 3.95 0.21 0.00 -1.26 -4.78 105.19 111.36 1j5c n GLY 47 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.52 2.99 1.08 1.61 1.01 -1.26 -5.08 120.40 119.23 1j5c s VAL 48 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1j5c s VAL 48 Cb 0.00 -3.15 0.23 0.00 0.00 0.00 0.00 36.38 33.46 1j5c s VAL 48 CO 0.00 -0.13 1.07 -1.81 0.00 0.00 0.00 175.10 174.23 1j5c s ASP 49 N -4.39 1.85 -0.11 3.32 1.01 -1.26 -4.82 116.67 112.27 1j5c s ASP 49 Ca 0.56 1.26 -0.16 0.00 0.71 0.00 0.00 52.55 54.92 1j5c s ASP 49 Cb -0.10 -1.97 -0.14 0.00 1.01 0.00 0.00 42.92 41.72 1j5c s ASP 49 CO 0.40 -3.63 0.45 0.00 0.21 0.00 0.00 175.17 172.61 1j5c h ALA 50 N -2.23 -0.03 -0.91 5.23 0.00 -1.98 -2.64 119.26 116.71 1j5c h ALA 50 Ca -0.58 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.20 1j5c h ALA 50 Cb 1.34 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1j5c h ALA 50 CO 0.55 -0.03 0.59 -0.44 0.00 0.00 0.00 179.25 179.91 1j5c h ASP 51 N -0.99 0.75 0.70 0.00 3.32 -1.99 1.00 116.42 119.21 1j5c h ASP 51 Ca -0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1j5c h ASP 51 Cb 0.52 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.97 1j5c h ASP 51 CO 0.00 0.40 -0.34 0.74 -1.72 0.00 0.00 179.24 178.32 1j5c h THR 52 N 0.80 0.00 -0.14 0.35 2.02 -1.95 -2.14 112.91 111.85 1j5c h THR 52 Ca 0.45 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.61 1j5c h THR 52 Cb 0.60 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1j5c h THR 52 CO -0.21 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.01 1j5c h ALA 53 N -1.51 1.60 0.64 6.16 0.00 -1.05 -1.33 119.26 123.77 1j5c h ALA 53 Ca -0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1j5c h ALA 53 Cb 0.72 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1j5c h ALA 53 CO 0.16 -0.41 -0.31 0.00 0.00 0.00 0.00 179.25 178.69 1j5c h ALA 54 N 1.47 -1.19 -0.66 0.00 0.00 -0.16 1.55 119.26 120.26 1j5c h ALA 54 Ca 0.07 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1j5c h ALA 54 Cb 0.73 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1j5c h ALA 54 CO -0.00 -1.13 0.37 0.87 0.00 0.00 0.00 179.25 179.36 1j5c h LYS 55 N -0.89 0.68 0.00 0.00 1.57 -0.96 0.11 116.57 117.08 1j5c h LYS 55 Ca -0.09 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1j5c h LYS 55 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1j5c h LYS 55 CO 0.14 0.45 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.23 1j5c h LEU 56 N 0.70 0.00-10.00 2.94 -0.00 -1.19 -3.43 115.31 104.34 1j5c h LEU 56 Ca 0.29 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.69 1j5c h LEU 56 Cb 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.82 1j5c h LEU 56 CO -0.16 0.18 0.41 -0.55 -0.00 0.00 0.00 178.44 178.31 1j5c s SER 57 N -6.91 6.62 -0.44 -0.43 0.15 0.53 -4.59 113.70 108.63 1j5c s SER 57 Ca -0.04 2.01 -0.04 0.00 0.70 0.00 0.00 55.95 58.59 1j5c s SER 57 Cb 0.15 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 62.00 1j5c s SER 57 CO 0.68 -0.59 0.24 -1.00 1.20 0.00 0.00 173.24 173.78 1j5c s HIS 58 N -1.76 3.56 -0.65 3.44 3.76 -0.82 -4.85 115.29 117.97 1j5c s HIS 58 Ca 0.61 -2.39 -0.02 0.00 -0.15 0.00 0.00 55.06 53.11 1j5c s HIS 58 Cb -0.20 -3.26 0.42 0.00 1.11 0.00 0.00 32.58 30.65 1j5c s HIS 58 CO 0.25 -0.96 2.04 1.63 -0.85 0.00 0.00 174.74 176.85 1j5c n LYS 59 N 4.52 2.62 0.00 1.40 5.02 -1.26 -3.94 118.16 126.52 1j5c n LYS 59 Ca -0.02 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 1j5c n LYS 59 Cb 0.41 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j5c n GLY 60 N -0.77 1.99 3.65 0.72 0.00 -1.26 -5.17 105.19 104.35 1j5c n GLY 60 Ca 0.59 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1j5c n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5c s LEU 61 N 0.00 -0.14 0.11 0.99 1.43 -1.26 -4.99 118.68 114.81 1j5c s LEU 61 Ca 0.00 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1j5c s LEU 61 Cb 0.00 1.21 -0.03 0.00 0.03 0.00 0.00 46.19 47.40 1j5c s LEU 61 CO 0.00 -0.04 -0.17 0.00 0.23 0.00 0.00 176.35 176.37 1j5c s ALA 62 N 1.03 1.60 0.00 4.21 0.00 -1.26 -5.00 121.76 122.34 1j5c s ALA 62 Ca -0.07 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1j5c s ALA 62 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1j5c s ALA 62 CO -0.11 0.24 0.00 1.97 0.00 0.00 0.00 175.76 177.86 1j5c n PHE 63 N 0.92 -1.23 -2.53 0.00 -1.74 -1.26 -2.98 117.46 108.64 1j5c n PHE 63 Ca -0.18 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.28 1j5c n PHE 63 Cb 0.55 0.25 -0.02 0.00 1.52 0.00 0.00 39.48 41.77 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1j5c s ALA 64 N -1.49 3.63 -0.77 1.98 0.00 -1.26 -4.85 121.76 118.99 1j5c s ALA 64 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.99 1j5c s ALA 64 Cb 0.00 -3.61 -0.14 0.00 0.00 0.00 0.00 23.12 19.36 1j5c s ALA 64 CO 0.00 -1.21 2.41 0.00 0.00 0.00 0.00 175.76 176.96 1j5c n ALA 65 N 6.62 0.43 0.00 0.00 0.00 -1.26 -2.19 120.51 124.11 1j5c n ALA 65 Ca 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1j5c n ALA 65 Cb 0.46 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1j5c n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5c n GLY 66 N 6.64 0.79 3.54 0.00 0.00 -1.26 -5.06 105.19 109.84 1j5c n GLY 66 Ca 0.47 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 3.40 -0.02 1.61 0.41 -0.93 -4.96 118.70 118.21 1j5c s GLU 67 Ca 0.00 -0.10 0.07 0.00 -0.41 0.00 0.00 54.97 54.53 1j5c s GLU 67 Cb 0.00 -4.03 -0.02 0.00 -1.78 0.00 0.00 34.13 28.30 1j5c s GLU 67 CO 0.00 -1.49 -0.22 -1.12 -0.49 0.00 0.00 175.26 171.94 1j5c s SER 68 N 2.78 3.38 0.52 -0.19 0.01 -1.26 -4.40 113.70 114.54 1j5c s SER 68 Ca 0.34 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.22 1j5c s SER 68 Cb -0.11 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.65 1j5c s SER 68 CO 0.22 0.32 0.73 -0.36 0.41 0.00 0.00 173.24 174.55 1j5c s PHE 69 N -0.68 2.89 -0.01 2.43 0.08 -1.08 -4.90 117.98 116.70 1j5c s PHE 69 Ca 0.11 -0.05 -0.09 0.00 0.12 0.00 0.00 56.93 57.03 1j5c s PHE 69 Cb -0.10 -2.65 0.01 0.00 -0.57 0.00 0.00 43.02 39.71 1j5c s PHE 69 CO 0.00 -0.75 0.18 0.99 -0.10 0.00 0.00 175.22 175.54 1j5c s THR 70 N -2.68 0.07 0.04 0.64 2.01 -1.26 -1.45 115.64 113.02 1j5c s THR 70 Ca 0.56 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1j5c s THR 70 Cb -0.10 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1j5c s THR 70 CO 0.37 -0.30 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.02 1j5c s SER 71 N -1.15 0.55 -0.18 3.53 1.04 -0.94 -4.95 113.70 111.61 1j5c s SER 71 Ca -0.12 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.60 1j5c s SER 71 Cb -0.06 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1j5c s SER 71 CO 0.02 -0.39 -0.18 -0.89 0.98 0.00 0.00 173.24 172.78 1j5c s THR 72 N -2.43 1.92 -0.72 2.02 2.01 -1.26 0.29 115.64 117.47 1j5c s THR 72 Ca -0.05 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.85 1j5c s THR 72 Cb -0.03 -1.77 0.08 0.00 0.01 0.00 0.00 72.50 70.79 1j5c s THR 72 CO -0.04 0.49 1.01 -0.36 -0.69 0.00 0.00 174.62 175.03 1j5c s PHE 73 N 1.34 2.75 -0.10 4.92 0.40 -0.17 -4.87 117.98 122.25 1j5c s PHE 73 Ca 0.04 -0.71 -0.17 0.00 -0.60 0.00 0.00 56.93 55.49 1j5c s PHE 73 Cb -0.13 -4.30 -0.14 0.00 0.51 0.00 0.00 43.02 38.95 1j5c s PHE 73 CO -0.12 -1.63 0.54 1.15 0.70 0.00 0.00 175.22 175.86 1j5c h THR 74 N 5.97 0.93 -3.41 0.64 2.02 -1.88 0.72 112.91 117.91 1j5c h THR 74 Ca -0.19 -1.55 -0.55 0.00 0.77 0.00 0.00 66.41 64.89 1j5c h THR 74 Cb 1.06 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 1j5c h THR 74 CO 1.18 0.30 0.27 -0.70 0.37 0.00 0.00 175.52 176.93 1j5c s GLU 75 N -2.34 4.53 -1.04 6.66 2.12 -1.26 -4.15 118.70 123.22 1j5c s GLU 75 Ca -0.11 1.23 -0.23 0.00 0.36 0.00 0.00 54.97 56.22 1j5c s GLU 75 Cb -0.01 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1j5c s GLU 75 CO 0.40 0.02 1.73 -1.25 -0.54 0.00 0.00 175.26 175.62 1j5c s PRO 76 N 0.82 3.14 0.00 4.30 0.04 -1.26 -4.81 135.00 137.23 1j5c s PRO 76 Ca 0.46 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1j5c s PRO 76 Cb -0.20 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.07 1j5c s PRO 76 CO 0.25 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.84 1j5c n GLY 77 N 6.54 5.52 2.59 0.56 0.00 -1.26 -4.93 105.19 114.21 1j5c n GLY 77 Ca 0.39 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 1.98 -0.15 0.32 2.61 2.01 -1.26 -2.19 115.64 118.97 1j5c s THR 78 Ca 0.00 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 1j5c s THR 78 Cb 0.00 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 1j5c s THR 78 CO 0.00 -0.67 0.82 -0.31 -0.69 0.00 0.00 174.62 173.77 1j5c s TYR 79 N 2.15 3.49 0.05 4.92 1.51 -1.19 -4.81 117.35 123.46 1j5c s TYR 79 Ca 0.09 1.46 0.04 0.00 -1.01 0.00 0.00 57.07 57.65 1j5c s TYR 79 Cb -0.16 -2.70 -0.02 0.00 -0.11 0.00 0.00 41.96 38.97 1j5c s TYR 79 CO -0.36 0.13 -0.11 0.99 -1.11 0.00 0.00 175.55 175.09 1j5c s THR 80 N -1.85 0.87 0.03 -0.71 2.01 -1.26 -1.54 115.64 113.19 1j5c s THR 80 Ca 0.52 -1.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.33 1j5c s THR 80 Cb -0.13 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 1j5c s THR 80 CO 0.18 -0.23 0.14 -0.72 -0.69 0.00 0.00 174.62 173.30 1j5c s TYR 81 N -1.20 0.11 0.25 4.92 -0.85 -1.24 0.12 117.35 119.46 1j5c s TYR 81 Ca -0.04 -0.33 0.01 0.00 -0.52 0.00 0.00 57.07 56.19 1j5c s TYR 81 Cb -0.09 -0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 1j5c s TYR 81 CO 0.01 -0.36 0.10 1.52 -1.52 0.00 0.00 175.55 175.30 1j5c s TYR 82 N -2.25 1.47 -0.48 -3.49 1.13 -0.85 -4.48 117.35 108.40 1j5c s TYR 82 Ca -0.08 -1.21 0.08 0.00 -1.41 0.00 0.00 57.07 54.45 1j5c s TYR 82 Cb -0.03 -0.84 0.27 0.00 -1.10 0.00 0.00 41.96 40.26 1j5c s TYR 82 CO -0.03 -0.38 0.65 0.00 -2.51 0.00 0.00 175.55 173.28 1j5c h GLU 84 N 3.85 -0.21 -3.76 0.00 4.22 -1.94 -3.27 114.58 113.48 1j5c h GLU 84 Ca 0.12 0.01 -0.59 0.00 0.08 0.00 0.00 59.36 58.98 1j5c h GLU 84 Cb 0.79 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.10 1j5c h GLU 84 CO 0.61 0.01 2.93 -0.35 -2.18 0.00 0.00 179.01 180.03 1j5c n PRO 85 N -5.10 2.46 -2.68 0.92 -0.04 -1.26 -4.02 135.00 125.27 1j5c n PRO 85 Ca -0.09 -2.00 -0.05 0.00 -0.04 0.00 0.00 63.50 61.33 1j5c n PRO 85 Cb 0.17 -2.85 0.10 0.00 -0.04 0.00 0.00 33.50 30.88 1j5c n PRO 85 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j5c n HIS 86 N 5.41 -1.14 -3.21 0.54 -0.00 -1.23 -4.75 115.22 110.83 1j5c n HIS 86 Ca 0.55 -1.09 -0.16 0.00 -0.00 0.00 0.00 57.72 57.02 1j5c n HIS 86 Cb 0.29 1.28 0.02 0.00 -0.00 0.00 0.00 29.99 31.58 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1j5c n ARG 87 N 0.71 -1.62 -1.48 1.57 0.63 -1.26 -4.48 116.66 110.74 1j5c n ARG 87 Ca -0.01 1.47 -0.42 0.00 -0.92 0.00 0.00 57.85 57.96 1j5c n ARG 87 Cb 0.73 -2.60 -0.13 0.00 0.45 0.00 0.00 32.46 30.91 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j5c n GLY 88 N 0.43 -0.34 0.88 5.14 0.00 -1.26 -4.66 105.19 105.38 1j5c n GLY 88 Ca -0.02 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 10.89 2.70 0.00 4.61 0.00 -1.26 -5.08 120.51 132.37 1j5c n ALA 89 Ca 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1j5c n ALA 89 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 3.35 -1.91 3.03 0.00 0.00 -1.26 -5.13 105.19 103.26 1j5c n GLY 90 Ca 0.00 1.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 1.79 0.00 1.61 -1.94 -1.25 -4.37 119.30 115.13 1j5c s MET 91 Ca 0.00 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1j5c s MET 91 Cb 0.00 -1.50 0.00 0.00 2.01 0.00 0.00 34.83 35.34 1j5c s MET 91 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 175.02 176.56 1j5c n VAL 92 N 3.92 0.00 -1.26 -6.03 3.14 -1.26 -4.49 118.33 112.35 1j5c n VAL 92 Ca -0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1j5c n VAL 92 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j5c n GLY 93 N 1.96 -4.45 3.09 7.55 0.00 -1.26 -4.40 105.19 107.67 1j5c n GLY 93 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1j5c n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5c s LYS 94 N -3.07 0.44 0.22 1.61 0.00 -0.90 -3.68 119.74 114.36 1j5c s LYS 94 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 55.97 55.66 1j5c s LYS 94 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 37.83 37.97 1j5c s LYS 94 CO 0.00 -0.10 0.07 0.08 0.00 0.00 0.00 175.35 175.40 1j5c s VAL 95 N -1.29 3.97 -0.04 1.79 1.01 -0.59 -3.80 120.40 121.44 1j5c s VAL 95 Ca -0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 61.98 60.34 1j5c s VAL 95 Cb -0.07 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1j5c s VAL 95 CO 0.01 -0.24 0.08 -0.69 0.00 0.00 0.00 175.10 174.26 1j5c s VAL 96 N -1.98 -0.09 -0.13 2.92 1.01 -1.10 -3.16 120.40 117.87 1j5c s VAL 96 Ca 0.30 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 1j5c s VAL 96 Cb -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1j5c s VAL 96 CO 0.21 0.11 0.41 -0.69 0.00 0.00 0.00 175.10 175.15 1j5c s VAL 97 N 1.49 5.22 0.00 2.92 1.01 -0.93 -1.21 120.40 128.91 1j5c s VAL 97 Ca -0.04 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1j5c s VAL 97 Cb -0.12 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1j5c s VAL 97 CO -0.04 0.36 0.42 -0.67 0.00 0.00 0.00 175.10 175.16