#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 4.19 -0.13 0.00 2.20 -1.26 -4.54 114.94 115.39 1j5c s ASN 2 Ca 0.00 -0.56 -0.06 0.00 -0.94 0.00 0.00 52.86 51.31 1j5c s ASN 2 Cb 0.00 -0.69 -0.04 0.00 -2.00 0.00 0.00 41.25 38.52 1j5c s ASN 2 CO 0.00 0.13 0.07 0.00 -2.94 0.00 0.00 177.10 174.36 1j5c s ALA 3 N -1.53 3.54 0.05 3.54 0.00 -1.19 -4.97 121.76 121.19 1j5c s ALA 3 Ca 0.23 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1j5c s ALA 3 Cb -0.09 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1j5c s ALA 3 CO 0.14 0.44 -0.18 -0.08 0.00 0.00 0.00 175.76 176.08 1j5c s THR 4 N -0.45 1.43 0.01 0.00 -1.32 -1.26 -2.14 115.64 111.91 1j5c s THR 4 Ca 0.10 -1.14 0.03 0.00 -1.21 0.00 0.00 61.69 59.47 1j5c s THR 4 Cb -0.12 -1.27 -0.01 0.00 -1.51 0.00 0.00 72.50 69.59 1j5c s THR 4 CO 0.02 0.10 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.75 1j5c s VAL 5 N -0.85 0.66 -0.51 5.08 1.01 -0.68 -4.77 120.40 120.35 1j5c s VAL 5 Ca 0.05 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 1j5c s VAL 5 Cb -0.08 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.78 1j5c s VAL 5 CO 0.02 0.06 0.55 -1.59 0.00 0.00 0.00 175.10 174.14 1j5c s LYS 6 N -0.53 3.06 0.05 2.72 -2.85 -1.24 -2.49 119.74 118.45 1j5c s LYS 6 Ca 0.01 -1.13 -0.09 0.00 -1.00 0.00 0.00 55.97 53.76 1j5c s LYS 6 Cb -0.05 -4.14 -0.02 0.00 -2.06 0.00 0.00 37.83 31.57 1j5c s LYS 6 CO 0.00 -1.20 1.01 -1.33 0.10 0.00 0.00 175.35 173.93 1j5c n MET 7 N 5.83 -0.13 0.00 1.78 2.81 -0.99 -4.28 117.12 122.14 1j5c n MET 7 Ca -0.09 1.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 1j5c n MET 7 Cb 0.44 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.07 1.47 3.24 3.03 0.00 -1.26 -4.05 105.19 106.55 1j5c n GLY 8 Ca 0.01 -1.74 -0.09 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 -1.00 0.17 0.22 1.61 0.01 -0.82 -4.66 113.70 109.23 1j5c s SER 9 Ca 0.00 -0.94 -0.08 0.00 1.31 0.00 0.00 55.95 56.23 1j5c s SER 9 Cb 0.00 0.36 0.18 0.00 0.21 0.00 0.00 66.02 66.77 1j5c s SER 9 CO 0.00 -0.79 1.85 0.44 0.41 0.00 0.00 173.24 175.14 1j5c h ASP 10 N 2.72 1.03 -0.52 2.44 3.32 -1.91 -2.03 116.42 121.47 1j5c h ASP 10 Ca -0.33 -0.09 -0.32 0.00 0.02 0.00 0.00 57.03 56.31 1j5c h ASP 10 Cb 1.21 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 1j5c h ASP 10 CO 0.54 0.82 0.33 -1.20 -1.72 0.00 0.00 179.24 178.02 1j5c n SER 11 N -4.40 6.31 -4.07 6.45 7.64 -1.26 -4.82 113.62 119.48 1j5c n SER 11 Ca 0.08 -3.00 -0.33 0.00 1.01 0.00 0.00 58.87 56.63 1j5c n SER 11 Cb 0.08 -1.12 -0.05 0.00 -1.01 0.00 0.00 64.21 62.12 1j5c n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5c n GLY 12 N 0.66 -0.35 3.35 0.23 0.00 -0.76 -4.90 105.19 103.42 1j5c n GLY 12 Ca 0.32 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.01 2.86 -1.09 4.61 0.00 -1.25 -4.89 121.76 117.98 1j5c s ALA 13 Ca 0.17 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 1j5c s ALA 13 Cb -0.10 -1.70 -0.08 0.00 0.00 0.00 0.00 23.12 21.24 1j5c s ALA 13 CO 0.86 -0.33 2.54 1.47 0.00 0.00 0.00 175.76 180.30 1j5c n LEU 14 N 4.61 6.35 -4.17 0.00 -0.00 -1.26 -1.95 117.00 120.58 1j5c n LEU 14 Ca -0.18 -3.43 -0.28 0.00 -0.00 0.00 0.00 56.01 52.12 1j5c n LEU 14 Cb 0.51 -1.28 -0.16 0.00 -0.00 0.00 0.00 43.42 42.49 1j5c n LEU 14 CO 0.30 1.26 -0.52 0.68 -0.00 0.00 0.00 177.39 179.10 1j5c s VAL 15 N 2.69 1.65 -0.44 1.47 -7.23 -1.26 -4.69 120.40 112.59 1j5c s VAL 15 Ca 0.53 -0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 59.70 1j5c s VAL 15 Cb 0.15 -1.42 0.03 0.00 0.56 0.00 0.00 36.38 35.70 1j5c s VAL 15 CO -0.04 0.47 0.42 0.72 -0.31 0.00 0.00 175.10 176.36 1j5c s PHE 16 N 0.07 3.19 0.00 2.82 -0.71 -1.26 -4.48 117.98 117.62 1j5c s PHE 16 Ca -0.06 -0.53 0.03 0.00 -1.04 0.00 0.00 56.93 55.32 1j5c s PHE 16 Cb -0.13 -2.93 -0.01 0.00 -1.21 0.00 0.00 43.02 38.74 1j5c s PHE 16 CO 0.04 -0.72 -0.08 -1.21 -1.34 0.00 0.00 175.22 171.90 1j5c s GLU 17 N 2.00 0.63 0.27 1.99 2.02 -1.26 -2.44 118.70 121.91 1j5c s GLU 17 Ca 0.09 -0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 1j5c s GLU 17 Cb -0.19 -0.60 -0.09 0.00 0.10 0.00 0.00 34.13 33.35 1j5c s GLU 17 CO 0.11 0.16 1.08 -1.25 0.02 0.00 0.00 175.26 175.39 1j5c s PRO 18 N -0.36 4.66 0.25 0.39 0.04 -1.26 -3.70 135.00 135.01 1j5c s PRO 18 Ca 0.02 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1j5c s PRO 18 Cb -0.04 -3.21 0.52 0.00 0.04 0.00 0.00 34.50 31.81 1j5c s PRO 18 CO -0.00 0.23 1.30 -1.13 0.04 0.00 0.00 177.00 177.44 1j5c n SER 19 N 1.32 -0.19 -4.35 6.66 3.41 -1.02 -4.30 113.62 115.14 1j5c n SER 19 Ca -0.01 1.42 -0.26 0.00 -0.26 0.00 0.00 58.87 59.76 1j5c n SER 19 Cb 0.45 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 63.80 1j5c n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5c s THR 20 N -5.90 2.02 0.01 6.66 2.01 -1.26 -2.72 115.64 116.46 1j5c s THR 20 Ca -0.12 -1.73 0.01 0.00 0.31 0.00 0.00 61.69 60.16 1j5c s THR 20 Cb 0.23 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 1j5c s THR 20 CO 0.65 -0.04 -0.04 0.68 -0.69 0.00 0.00 174.62 175.18 1j5c s VAL 21 N -1.29 0.23 0.19 3.82 -7.23 -1.24 -5.06 120.40 109.84 1j5c s VAL 21 Ca 0.12 -0.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.63 1j5c s VAL 21 Cb -0.09 -0.27 -0.08 0.00 0.56 0.00 0.00 36.38 36.50 1j5c s VAL 21 CO 0.06 -0.16 0.69 0.42 -0.31 0.00 0.00 175.10 175.80 1j5c s THR 22 N -0.63 4.60 0.24 5.32 -4.23 -1.26 -2.13 115.64 117.55 1j5c s THR 22 Ca -0.05 1.26 -0.05 0.00 -1.18 0.00 0.00 61.69 61.66 1j5c s THR 22 Cb -0.05 -3.87 -0.02 0.00 1.34 0.00 0.00 72.50 69.90 1j5c s THR 22 CO -0.00 0.27 0.30 -0.51 -0.54 0.00 0.00 174.62 174.15 1j5c s ILE 23 N -1.44 0.00 0.05 2.99 -1.16 0.90 -4.10 121.20 118.45 1j5c s ILE 23 Ca 0.40 -1.73 0.08 0.00 -0.51 0.00 0.00 60.65 58.89 1j5c s ILE 23 Cb -0.17 -2.40 -0.03 0.00 0.61 0.00 0.00 42.46 40.47 1j5c s ILE 23 CO 0.21 0.00 -0.21 -0.54 -2.81 0.00 0.00 174.94 171.60 1j5c s LYS 24 N -3.97 1.95 -0.52 3.50 -0.14 -1.26 -0.79 119.74 118.50 1j5c s LYS 24 Ca 0.32 -1.05 -0.26 0.00 -1.36 0.00 0.00 55.97 53.62 1j5c s LYS 24 Cb 0.03 -2.12 -0.06 0.00 -1.68 0.00 0.00 37.83 34.01 1j5c s LYS 24 CO 0.12 0.52 2.28 0.00 -0.76 0.00 0.00 175.35 177.52 1j5c s ALA 25 N -0.92 1.76 0.00 5.17 0.00 -1.26 0.03 121.76 126.54 1j5c s ALA 25 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1j5c s ALA 25 Cb -0.10 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1j5c s ALA 25 CO 0.05 -4.33 0.00 0.41 0.00 0.00 0.00 175.76 171.89 1j5c n GLY 26 N 5.93 1.82 3.59 0.00 0.00 0.52 -4.91 105.19 112.14 1j5c n GLY 26 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.18 -4.39 1.61 4.71 0.10 -4.68 120.64 115.80 1j5c n GLU 27 Ca 0.00 -1.85 -0.20 0.00 -0.01 0.00 0.00 57.16 55.09 1j5c n GLU 27 Cb 0.00 -1.47 -0.10 0.00 -1.01 0.00 0.00 31.44 28.86 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1j5c s GLU 28 N -5.63 1.46 -0.04 3.49 2.02 -1.26 -2.18 118.70 116.56 1j5c s GLU 28 Ca 0.71 -1.69 0.03 0.00 0.02 0.00 0.00 54.97 54.04 1j5c s GLU 28 Cb -0.04 -1.20 0.01 0.00 0.10 0.00 0.00 34.13 33.00 1j5c s GLU 28 CO 0.52 0.13 -0.11 0.08 0.02 0.00 0.00 175.26 175.91 1j5c s VAL 29 N -2.95 0.98 -0.17 2.63 1.01 -0.83 -3.16 120.40 117.91 1j5c s VAL 29 Ca 0.26 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1j5c s VAL 29 Cb 0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1j5c s VAL 29 CO 0.10 0.31 0.02 -0.75 0.00 0.00 0.00 175.10 174.78 1j5c s LYS 30 N 0.39 3.85 -0.39 2.72 2.20 -0.91 -1.93 119.74 125.66 1j5c s LYS 30 Ca -0.08 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1j5c s LYS 30 Cb -0.12 -3.10 0.11 0.00 -1.51 0.00 0.00 37.83 33.21 1j5c s LYS 30 CO 0.02 0.25 0.15 -1.58 -0.36 0.00 0.00 175.35 173.83 1j5c s TRP 31 N 0.40 3.64 0.14 4.03 0.51 -0.86 -1.69 118.94 125.11 1j5c s TRP 31 Ca 0.00 -2.70 -0.30 0.00 -2.12 0.00 0.00 56.10 50.99 1j5c s TRP 31 Cb -0.13 -3.09 -0.07 0.00 -0.81 0.00 0.00 33.47 29.37 1j5c s TRP 31 CO 0.01 -0.95 0.97 0.08 -0.51 0.00 0.00 176.95 176.55 1j5c s VAL 32 N 0.95 4.35 -0.73 4.03 1.01 -1.04 -2.55 120.40 126.41 1j5c s VAL 32 Ca 0.10 2.03 -0.27 0.00 0.00 0.00 0.00 61.98 63.84 1j5c s VAL 32 Cb -0.21 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.89 1j5c s VAL 32 CO -0.06 0.35 1.38 0.21 0.00 0.00 0.00 175.10 176.98 1j5c s ASN 33 N -0.25 6.02 -0.01 3.32 3.84 -1.20 -2.34 114.94 124.31 1j5c s ASN 33 Ca 0.46 -0.35 -0.21 0.00 0.21 0.00 0.00 52.86 52.97 1j5c s ASN 33 Cb -0.24 -2.56 -0.12 0.00 -0.55 0.00 0.00 41.25 37.78 1j5c s ASN 33 CO 0.31 -1.92 0.86 -1.13 -2.79 0.00 0.00 177.10 172.43 1j5c h ASN 34 N 10.81 -0.64 -0.18 -4.21 -1.24 -1.88 -3.38 115.58 114.86 1j5c h ASN 34 Ca -0.26 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1j5c h ASN 34 Cb 1.07 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.28 1j5c h ASN 34 CO 1.27 -0.23 0.00 1.17 -1.29 0.00 0.00 177.43 178.35 1j5c n LYS 35 N -5.27 0.00 -2.72 6.67 4.81 -1.26 -4.77 118.16 115.62 1j5c n LYS 35 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1j5c n LYS 35 Cb 0.30 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.35 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 -5.79 -4.95 3.14 7.99 -1.26 -4.12 117.00 112.01 1j5c n LEU 36 Ca 0.00 -0.04 -0.23 0.00 -0.01 0.00 0.00 56.01 55.73 1j5c n LEU 36 Cb 0.00 -2.82 -0.01 0.00 -0.11 0.00 0.00 43.42 40.48 1j5c n LEU 36 CO 0.00 -0.91 0.12 -0.44 -1.51 0.00 0.00 177.39 174.65 1j5c s SER 37 N -2.77 6.28 -0.06 -1.43 0.01 -1.26 -4.12 113.70 110.36 1j5c s SER 37 Ca 0.01 0.34 -0.09 0.00 1.31 0.00 0.00 55.95 57.51 1j5c s SER 37 Cb -0.00 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 1j5c s SER 37 CO 0.59 -0.25 0.39 1.55 0.41 0.00 0.00 173.24 175.92 1j5c h PRO 38 N 0.85 -0.32 -3.85 12.44 0.13 -1.89 -3.51 132.00 135.84 1j5c h PRO 38 Ca -0.50 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j5c h PRO 38 Cb 1.22 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1j5c h PRO 38 CO 0.61 -0.21 -0.98 -2.39 -0.23 0.00 0.00 178.00 174.80 1j5c n HIS 39 N -4.93 -4.50 -4.34 1.56 1.44 -1.26 -4.02 115.22 99.18 1j5c n HIS 39 Ca -0.04 2.42 -0.19 0.00 -2.01 0.00 0.00 57.72 57.89 1j5c n HIS 39 Cb 0.13 -3.67 -0.09 0.00 0.12 0.00 0.00 29.99 26.48 1j5c n HIS 39 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1j5c s ASN 40 N -4.60 1.65 -0.60 4.39 4.22 -1.26 -3.10 114.94 115.63 1j5c s ASN 40 Ca 0.00 -1.61 0.04 0.00 -2.14 0.00 0.00 52.86 49.16 1j5c s ASN 40 Cb 0.00 0.44 0.16 0.00 1.28 0.00 0.00 41.25 43.12 1j5c s ASN 40 CO 0.00 -0.93 0.40 -0.63 -2.04 0.00 0.00 177.10 173.90 1j5c s ILE 41 N -3.55 2.39 -0.01 0.54 1.01 -1.26 -4.34 121.20 115.98 1j5c s ILE 41 Ca 0.35 -3.71 -0.24 0.00 0.00 0.00 0.00 60.65 57.06 1j5c s ILE 41 Cb 0.04 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1j5c s ILE 41 CO 0.19 -0.97 0.72 -0.69 0.00 0.00 0.00 174.94 174.18 1j5c s VAL 42 N -0.84 4.88 -0.14 2.92 1.01 -1.26 -1.51 120.40 125.46 1j5c s VAL 42 Ca 0.23 1.51 -0.05 0.00 0.00 0.00 0.00 61.98 63.67 1j5c s VAL 42 Cb -0.11 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1j5c s VAL 42 CO -0.11 0.33 0.03 -0.36 0.00 0.00 0.00 175.10 174.98 1j5c s PHE 43 N 0.27 3.20 0.42 5.22 0.40 -1.26 -1.79 117.98 124.43 1j5c s PHE 43 Ca 0.37 0.05 -0.02 0.00 -0.60 0.00 0.00 56.93 56.73 1j5c s PHE 43 Cb -0.19 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1j5c s PHE 43 CO 0.20 0.24 0.67 0.00 0.70 0.00 0.00 175.22 177.04 1j5c s ALA 44 N -0.09 3.55 -0.87 5.36 0.00 0.16 -4.63 121.76 125.25 1j5c s ALA 44 Ca 0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 1j5c s ALA 44 Cb -0.12 -2.35 0.23 0.00 0.00 0.00 0.00 23.12 20.87 1j5c s ALA 44 CO 0.02 -0.20 0.81 0.00 0.00 0.00 0.00 175.76 176.38 1j5c n ALA 45 N -2.04 3.89 -0.01 0.00 0.00 -1.26 -4.44 120.51 116.66 1j5c n ALA 45 Ca -0.02 -4.63 -0.01 0.00 0.00 0.00 0.00 53.44 48.78 1j5c n ALA 45 Cb 0.56 -1.60 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 1j5c n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j5c n ASP 46 N 2.04 0.32 -1.44 0.00 -0.08 -1.26 -4.56 116.55 111.56 1j5c n ASP 46 Ca 0.23 0.25 0.11 0.00 -1.51 0.00 0.00 54.79 53.87 1j5c n ASP 46 Cb 0.37 -0.56 0.33 0.00 2.34 0.00 0.00 41.12 43.60 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j5c n GLY 47 N 1.67 2.50 3.31 0.27 0.00 -1.26 -4.92 105.19 106.76 1j5c n GLY 47 Ca -0.02 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.39 1.59 1.32 1.61 1.01 -1.26 -4.84 120.40 118.45 1j5c s VAL 48 Ca 0.49 -2.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.19 1j5c s VAL 48 Cb 0.28 -1.92 0.33 0.00 0.00 0.00 0.00 36.38 35.07 1j5c s VAL 48 CO 0.29 -0.57 0.86 -0.67 0.00 0.00 0.00 175.10 175.01 1j5c n ASP 49 N -0.16 -3.07 0.00 3.32 2.03 -1.26 -4.70 116.55 112.72 1j5c n ASP 49 Ca -0.10 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.68 1j5c n ASP 49 Cb 0.60 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1j5c n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j5c n ALA 50 N -5.38 0.00 -0.29 -1.67 0.00 -1.26 -2.66 120.51 109.24 1j5c n ALA 50 Ca 0.08 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1j5c n ALA 50 Cb 0.57 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.13 1j5c n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1j5c h ASP 51 N 0.00 -0.74 0.01 0.00 3.32 -1.98 0.32 116.42 117.35 1j5c h ASP 51 Ca 0.00 0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1j5c h ASP 51 Cb 0.00 0.51 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1j5c h ASP 51 CO 0.00 -0.27 -0.18 0.74 -1.72 0.00 0.00 179.24 177.80 1j5c h THR 52 N 0.01 0.00 -0.31 0.35 2.02 -1.96 0.36 112.91 113.38 1j5c h THR 52 Ca 0.41 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.64 1j5c h THR 52 Cb 0.64 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.97 1j5c h THR 52 CO -0.85 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 174.57 1j5c h ALA 53 N -1.16 -0.61 -0.93 6.16 0.00 -0.95 0.82 119.26 122.59 1j5c h ALA 53 Ca 0.00 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.09 1j5c h ALA 53 Cb 0.25 0.94 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1j5c h ALA 53 CO -0.12 -0.95 -0.31 0.00 0.00 0.00 0.00 179.25 177.88 1j5c n ALA 54 N -3.04 0.04 0.08 0.00 0.00 0.99 0.25 120.51 118.83 1j5c n ALA 54 Ca -0.03 0.97 -0.12 0.00 0.00 0.00 0.00 53.44 54.27 1j5c n ALA 54 Cb 0.36 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1j5c n ALA 54 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1j5c h LYS 55 N 0.00 -0.32 0.00 0.00 1.57 0.13 0.26 116.57 118.22 1j5c h LYS 55 Ca 0.38 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1j5c h LYS 55 Cb 0.61 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1j5c h LYS 55 CO -0.94 -0.21 0.00 1.28 -0.57 0.00 0.00 179.45 179.01 1j5c n LEU 56 N -5.31 0.00 -4.66 2.94 4.77 0.31 -4.58 117.00 110.47 1j5c n LEU 56 Ca -0.06 0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 55.98 1j5c n LEU 56 Cb 0.23 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1j5c n LEU 56 CO 0.26 -0.29 0.66 -0.94 -1.33 0.00 0.00 177.39 175.75 1j5c s SER 57 N -2.96 6.93 -0.66 -1.43 1.04 0.70 -4.55 113.70 112.77 1j5c s SER 57 Ca 0.06 1.15 -0.26 0.00 0.48 0.00 0.00 55.95 57.38 1j5c s SER 57 Cb 0.07 -2.46 0.04 0.00 0.10 0.00 0.00 66.02 63.78 1j5c s SER 57 CO 0.20 -0.48 1.13 -1.00 0.98 0.00 0.00 173.24 174.08 1j5c s HIS 58 N 2.54 2.52 -0.33 5.02 3.76 -0.57 -4.85 115.29 123.38 1j5c s HIS 58 Ca 0.38 -0.06 0.04 0.00 -0.15 0.00 0.00 55.06 55.26 1j5c s HIS 58 Cb -0.16 -4.44 0.43 0.00 1.11 0.00 0.00 32.58 29.52 1j5c s HIS 58 CO 0.10 -1.76 1.50 1.63 -0.85 0.00 0.00 174.74 175.35 1j5c n LYS 59 N 8.50 2.09 -4.35 1.40 5.02 -1.26 -4.10 118.16 125.46 1j5c n LYS 59 Ca 0.02 -1.85 -0.26 0.00 -2.02 0.00 0.00 58.31 54.20 1j5c n LYS 59 Cb 0.48 -1.77 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1j5c n LYS 59 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1j5c s GLY 60 N -0.41 1.44 -0.21 0.72 0.00 -1.26 -5.13 107.32 102.47 1j5c s GLY 60 Ca 0.34 -1.39 -0.05 0.00 0.00 0.00 0.00 44.72 43.63 1j5c s GLY 60 CO 0.07 -1.38 -0.01 1.08 0.00 0.00 0.00 173.10 172.86 1j5c s LEU 61 N -2.05 3.14 0.55 0.66 1.02 -1.26 -4.51 118.68 116.23 1j5c s LEU 61 Ca 0.11 -0.26 -0.08 0.00 0.02 0.00 0.00 54.13 53.93 1j5c s LEU 61 Cb -0.10 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.28 1j5c s LEU 61 CO 0.05 0.04 0.90 0.00 0.02 0.00 0.00 176.35 177.36 1j5c s ALA 62 N 1.15 3.26 0.00 4.21 0.00 -1.18 -4.99 121.76 124.21 1j5c s ALA 62 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1j5c s ALA 62 Cb -0.14 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1j5c s ALA 62 CO 0.01 -0.54 0.00 1.19 0.00 0.00 0.00 175.76 176.41 1j5c n PHE 63 N -2.50 -0.40 -3.01 0.00 3.72 -1.26 -4.10 117.46 109.91 1j5c n PHE 63 Ca 0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 1j5c n PHE 63 Cb 0.55 0.37 -0.06 0.00 -0.94 0.00 0.00 39.48 39.40 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j5c s ALA 64 N -1.74 3.42 -0.29 4.37 0.00 -1.26 -4.82 121.76 121.44 1j5c s ALA 64 Ca 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 1j5c s ALA 64 Cb 0.00 -2.95 -0.19 0.00 0.00 0.00 0.00 23.12 19.99 1j5c s ALA 64 CO 0.00 0.19 3.38 0.00 0.00 0.00 0.00 175.76 179.33 1j5c n ALA 65 N 2.21 6.54 0.00 0.00 0.00 -1.26 -3.26 120.51 124.75 1j5c n ALA 65 Ca -0.04 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.11 1j5c n ALA 65 Cb 0.50 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 2.34 0.08 3.77 0.00 0.00 -1.26 -4.92 105.19 105.19 1j5c n GLY 66 Ca 0.49 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 46.07 1j5c n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j5c s GLU 67 N -1.00 4.42 0.04 1.61 -1.05 -1.20 -4.84 118.70 116.67 1j5c s GLU 67 Ca 0.00 1.83 0.02 0.00 -0.15 0.00 0.00 54.97 56.67 1j5c s GLU 67 Cb 0.00 -2.99 -0.02 0.00 -0.44 0.00 0.00 34.13 30.68 1j5c s GLU 67 CO 0.00 0.00 -0.07 -1.54 0.95 0.00 0.00 175.26 174.60 1j5c s SER 68 N -0.96 0.77 0.46 0.83 1.04 -1.26 -3.26 113.70 111.32 1j5c s SER 68 Ca 0.49 -0.50 0.08 0.00 0.48 0.00 0.00 55.95 56.50 1j5c s SER 68 Cb -0.32 0.03 0.02 0.00 0.10 0.00 0.00 66.02 65.86 1j5c s SER 68 CO 0.41 -0.19 0.59 -0.36 0.98 0.00 0.00 173.24 174.67 1j5c s PHE 69 N -1.26 2.43 0.01 5.02 0.08 -1.06 -4.93 117.98 118.27 1j5c s PHE 69 Ca -0.09 -0.50 -0.09 0.00 0.12 0.00 0.00 56.93 56.37 1j5c s PHE 69 Cb -0.09 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 1j5c s PHE 69 CO 0.00 -0.55 0.17 0.99 -0.10 0.00 0.00 175.22 175.73 1j5c s THR 70 N -2.46 0.09 0.36 0.64 2.01 -1.26 -2.03 115.64 112.99 1j5c s THR 70 Ca 0.55 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1j5c s THR 70 Cb -0.08 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 1j5c s THR 70 CO 0.33 -0.42 0.42 -0.94 -0.69 0.00 0.00 174.62 173.33 1j5c s SER 71 N -1.64 1.34 -0.06 3.53 1.04 -0.81 -4.95 113.70 112.15 1j5c s SER 71 Ca -0.11 -1.64 -0.06 0.00 0.48 0.00 0.00 55.95 54.62 1j5c s SER 71 Cb -0.05 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1j5c s SER 71 CO -0.00 -1.25 0.17 -0.89 0.98 0.00 0.00 173.24 172.24 1j5c s THR 72 N -3.06 0.01 -0.45 2.02 2.01 -1.26 -1.97 115.64 112.94 1j5c s THR 72 Ca 0.34 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 1j5c s THR 72 Cb 0.00 -0.26 0.12 0.00 0.01 0.00 0.00 72.50 72.37 1j5c s THR 72 CO 0.25 -0.03 0.25 -0.36 -0.69 0.00 0.00 174.62 174.04 1j5c s PHE 73 N -0.04 3.55 -0.13 4.92 0.40 -0.93 -4.80 117.98 120.95 1j5c s PHE 73 Ca -0.01 -2.47 0.15 0.00 -0.60 0.00 0.00 56.93 54.00 1j5c s PHE 73 Cb -0.02 -3.23 -0.02 0.00 0.51 0.00 0.00 43.02 40.27 1j5c s PHE 73 CO 0.00 -0.95 1.23 1.15 0.70 0.00 0.00 175.22 177.36 1j5c h THR 74 N 6.14 0.78 -3.73 0.64 2.02 -1.90 1.51 112.91 118.37 1j5c h THR 74 Ca -0.11 -2.19 -0.63 0.00 0.77 0.00 0.00 66.41 64.25 1j5c h THR 74 Cb 1.03 2.31 -0.16 0.00 -1.74 0.00 0.00 68.15 69.59 1j5c h THR 74 CO 0.71 0.44 -0.48 -0.70 0.37 0.00 0.00 175.52 175.86 1j5c s GLU 75 N -2.94 4.02 -1.24 6.66 2.56 -1.26 -4.63 118.70 121.86 1j5c s GLU 75 Ca 0.02 -0.25 -0.20 0.00 0.00 0.00 0.00 54.97 54.53 1j5c s GLU 75 Cb 0.08 -3.60 -0.01 0.00 2.00 0.00 0.00 34.13 32.60 1j5c s GLU 75 CO 0.77 -0.08 1.83 -1.25 -0.56 0.00 0.00 175.26 175.98 1j5c s PRO 76 N 1.45 3.26 0.00 4.30 0.04 -1.26 -4.75 135.00 138.05 1j5c s PRO 76 Ca 0.08 -1.58 0.00 0.00 0.04 0.00 0.00 61.00 59.54 1j5c s PRO 76 Cb -0.15 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1j5c s PRO 76 CO 0.08 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.44 1j5c n GLY 77 N 5.62 5.58 2.64 0.56 0.00 -1.26 -4.92 105.19 113.41 1j5c n GLY 77 Ca 0.47 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 1.86 -0.12 0.46 2.61 2.01 -1.26 -1.95 115.64 119.24 1j5c s THR 78 Ca 0.00 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.89 1j5c s THR 78 Cb 0.00 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1j5c s THR 78 CO 0.00 -0.21 0.74 -0.31 -0.69 0.00 0.00 174.62 174.15 1j5c s TYR 79 N 2.17 3.54 0.02 4.92 1.51 -1.01 -4.67 117.35 123.84 1j5c s TYR 79 Ca 0.03 0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 56.75 1j5c s TYR 79 Cb -0.15 -2.23 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 1j5c s TYR 79 CO -0.09 -0.21 0.07 0.99 -1.11 0.00 0.00 175.55 175.20 1j5c s THR 80 N -2.66 0.12 0.04 -0.71 2.01 -1.26 -1.43 115.64 111.75 1j5c s THR 80 Ca 0.46 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 1j5c s THR 80 Cb -0.10 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1j5c s THR 80 CO 0.43 -0.54 0.26 -0.72 -0.69 0.00 0.00 174.62 173.36 1j5c s TYR 81 N -2.05 -0.04 -0.09 4.92 1.13 -1.16 -0.66 117.35 119.40 1j5c s TYR 81 Ca -0.10 -0.14 -0.04 0.00 -1.41 0.00 0.00 57.07 55.39 1j5c s TYR 81 Cb -0.05 0.04 0.05 0.00 -1.10 0.00 0.00 41.96 40.90 1j5c s TYR 81 CO -0.02 -0.47 0.18 1.52 -2.51 0.00 0.00 175.55 174.25 1j5c s TYR 82 N -2.58 -0.23 -0.17 -3.49 1.13 -0.74 -4.05 117.35 107.22 1j5c s TYR 82 Ca -0.05 0.64 -0.29 0.00 -1.41 0.00 0.00 57.07 55.96 1j5c s TYR 82 Cb -0.01 -0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1j5c s TYR 82 CO -0.04 -0.23 1.77 0.00 -2.51 0.00 0.00 175.55 174.54 1j5c h GLU 84 N 11.31 -0.15 -3.07 0.00 5.08 -1.95 -3.34 114.58 122.45 1j5c h GLU 84 Ca -0.38 0.01 -0.44 0.00 -1.00 0.00 0.00 59.36 57.55 1j5c h GLU 84 Cb 1.18 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1j5c h GLU 84 CO 0.98 0.24 2.59 -0.35 -1.00 0.00 0.00 179.01 181.47 1j5c n PRO 85 N -4.85 2.58 -3.27 2.33 -0.04 -1.26 -4.49 135.00 125.99 1j5c n PRO 85 Ca -0.06 -1.60 -0.24 0.00 -0.04 0.00 0.00 63.50 61.56 1j5c n PRO 85 Cb 0.23 -2.48 -0.08 0.00 -0.04 0.00 0.00 33.50 31.13 1j5c n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1j5c n HIS 86 N 3.70 -1.21 -1.46 0.54 8.25 -1.26 -4.36 115.22 119.43 1j5c n HIS 86 Ca 0.55 -3.11 -0.52 0.00 -0.26 0.00 0.00 57.72 54.38 1j5c n HIS 86 Cb 0.26 0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.62 1j5c n HIS 86 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1j5c n ARG 87 N 2.57 1.02 -3.01 -0.41 1.74 -1.26 -3.13 116.66 114.17 1j5c n ARG 87 Ca 0.27 0.29 -0.15 0.00 -0.77 0.00 0.00 57.85 57.48 1j5c n ARG 87 Cb 0.50 -2.34 0.02 0.00 -1.02 0.00 0.00 32.46 29.62 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j5c n GLY 88 N 6.36 0.08 1.29 -0.13 0.00 -1.26 -4.93 105.19 106.59 1j5c n GLY 88 Ca 0.41 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 0.60 3.00 0.00 4.61 0.00 -1.18 -5.09 120.51 122.45 1j5c n ALA 89 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1j5c n ALA 89 Cb 0.51 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 2.81 0.62 3.36 0.00 0.00 -1.26 -5.02 105.19 105.70 1j5c n GLY 90 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 0.22 2.61 0.00 1.61 -1.94 -1.26 -4.87 119.30 115.66 1j5c s MET 91 Ca 0.00 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 1j5c s MET 91 Cb 0.00 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.55 1j5c s MET 91 CO 0.00 0.46 0.00 0.28 -0.01 0.00 0.00 175.02 175.75 1j5c n VAL 92 N 2.77 0.00 -1.55 -6.03 0.31 -1.26 -3.74 118.33 108.83 1j5c n VAL 92 Ca -0.17 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.17 1j5c n VAL 92 Cb 0.52 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.44 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j5c n GLY 93 N -0.14 -4.02 3.21 2.92 0.00 -1.26 -3.88 105.19 102.03 1j5c n GLY 93 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -5.32 0.89 0.26 1.61 -2.85 -1.10 -2.99 119.74 110.23 1j5c s LYS 94 Ca 0.00 -1.10 0.11 0.00 -1.00 0.00 0.00 55.97 53.98 1j5c s LYS 94 Cb 0.00 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 1j5c s LYS 94 CO 0.00 -0.28 -0.17 0.08 0.10 0.00 0.00 175.35 175.09 1j5c s VAL 95 N -3.91 2.67 -0.02 1.79 1.01 -0.51 -3.60 120.40 117.83 1j5c s VAL 95 Ca 0.10 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.84 1j5c s VAL 95 Cb 0.05 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1j5c s VAL 95 CO -0.07 -0.34 0.02 -0.69 0.00 0.00 0.00 175.10 174.01 1j5c s VAL 96 N -2.33 -0.01 -0.27 2.92 1.01 -0.90 -2.40 120.40 118.42 1j5c s VAL 96 Ca 0.29 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1j5c s VAL 96 Cb -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1j5c s VAL 96 CO 0.15 0.08 0.03 -0.69 0.00 0.00 0.00 175.10 174.67 1j5c s VAL 97 N 0.80 3.66 -2.43 2.92 1.01 -0.82 -0.07 120.40 125.47 1j5c s VAL 97 Ca -0.07 -0.70 0.29 0.00 0.00 0.00 0.00 61.98 61.50 1j5c s VAL 97 Cb -0.10 -2.84 0.60 0.00 0.00 0.00 0.00 36.38 34.05 1j5c s VAL 97 CO -0.02 0.18 1.81 -0.67 0.00 0.00 0.00 175.10 176.40