#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 7.27 0.17 0.00 2.20 -1.26 -4.78 114.94 118.54 1j5c s ASN 2 Ca 0.00 2.18 -0.05 0.00 -0.94 0.00 0.00 52.86 54.05 1j5c s ASN 2 Cb 0.00 -2.62 -0.06 0.00 -2.00 0.00 0.00 41.25 36.58 1j5c s ASN 2 CO 0.00 -0.13 0.41 0.00 -2.94 0.00 0.00 177.10 174.44 1j5c s ALA 3 N -1.23 3.75 0.02 3.54 0.00 -1.21 -4.95 121.76 121.69 1j5c s ALA 3 Ca 0.46 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1j5c s ALA 3 Cb -0.30 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 1j5c s ALA 3 CO 0.38 0.59 -0.06 -0.08 0.00 0.00 0.00 175.76 176.59 1j5c s THR 4 N -1.74 0.44 -0.03 0.00 -1.32 -1.26 -1.82 115.64 109.91 1j5c s THR 4 Ca 0.42 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 1j5c s THR 4 Cb -0.12 -0.46 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1j5c s THR 4 CO 0.25 -0.19 0.00 -0.69 -2.21 0.00 0.00 174.62 171.78 1j5c s VAL 5 N -0.86 0.17 0.21 5.08 1.01 -0.68 -4.75 120.40 120.58 1j5c s VAL 5 Ca -0.06 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1j5c s VAL 5 Cb -0.07 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.95 1j5c s VAL 5 CO 0.00 0.15 0.71 -1.59 0.00 0.00 0.00 175.10 174.37 1j5c s LYS 6 N 1.15 4.22 -1.25 2.72 0.00 -1.26 -2.82 119.74 122.50 1j5c s LYS 6 Ca -0.08 0.83 -0.18 0.00 0.00 0.00 0.00 55.97 56.54 1j5c s LYS 6 Cb -0.13 -2.89 0.00 0.00 0.00 0.00 0.00 37.83 34.81 1j5c s LYS 6 CO -0.02 0.41 1.95 -1.33 0.00 0.00 0.00 175.35 176.36 1j5c n MET 7 N 0.74 2.58 0.00 1.78 2.81 0.20 -4.41 117.12 120.82 1j5c n MET 7 Ca -0.03 -2.72 0.00 0.00 -1.81 0.00 0.00 57.70 53.14 1j5c n MET 7 Cb 0.51 -3.39 0.00 0.00 -0.71 0.00 0.00 33.22 29.64 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 4.93 0.27 3.11 3.03 0.00 -1.26 -2.49 105.19 112.79 1j5c n GLY 8 Ca 0.49 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 0.05 0.23 1.61 0.01 -1.22 -4.06 113.70 106.32 1j5c s SER 9 Ca 0.00 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 1j5c s SER 9 Cb 0.00 0.21 0.40 0.00 0.21 0.00 0.00 66.02 66.84 1j5c s SER 9 CO 0.00 -0.41 1.72 -0.78 0.41 0.00 0.00 173.24 174.19 1j5c h ASP 10 N 4.12 0.20 0.67 2.44 1.82 -1.97 -2.49 116.42 121.20 1j5c h ASP 10 Ca -0.31 0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.40 1j5c h ASP 10 Cb 1.19 0.10 0.01 0.00 0.68 0.00 0.00 39.33 41.31 1j5c h ASP 10 CO 0.42 0.08 -0.32 0.28 -1.61 0.00 0.00 179.24 178.09 1j5c h SER 11 N 0.39 -0.76 0.00 2.28 0.02 -2.02 -3.47 113.55 109.98 1j5c h SER 11 Ca 0.38 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1j5c h SER 11 Cb 0.56 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1j5c h SER 11 CO -0.40 -0.54 0.00 0.61 -1.14 0.00 0.00 176.83 175.36 1j5c n GLY 12 N -1.38 -1.04 1.30 -3.77 0.00 -0.94 -5.17 105.19 94.19 1j5c n GLY 12 Ca -0.11 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1j5c n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c n ALA 13 N 0.00 0.17 -0.04 4.61 0.00 -1.26 -4.92 120.51 119.08 1j5c n ALA 13 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 53.44 52.55 1j5c n ALA 13 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1j5c n ALA 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1j5c n LEU 14 N 0.00 0.98 -4.52 0.00 -0.00 -1.26 -3.44 117.00 108.76 1j5c n LEU 14 Ca -0.07 0.08 -0.51 0.00 -0.00 0.00 0.00 56.01 55.51 1j5c n LEU 14 Cb 0.23 -0.24 -0.05 0.00 -0.00 0.00 0.00 43.42 43.36 1j5c n LEU 14 CO 0.12 0.25 0.52 1.33 -0.00 0.00 0.00 177.39 179.61 1j5c n VAL 15 N -3.26 0.97 -2.52 1.47 0.24 -1.26 -3.99 118.33 109.97 1j5c n VAL 15 Ca -0.16 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.34 61.50 1j5c n VAL 15 Cb 0.62 -0.47 -0.05 0.00 -1.47 0.00 0.00 33.84 32.47 1j5c n VAL 15 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j5c s PHE 16 N -0.35 3.65 -0.09 6.34 0.08 -1.23 -4.47 117.98 121.91 1j5c s PHE 16 Ca 0.75 1.74 -0.04 0.00 0.12 0.00 0.00 56.93 59.50 1j5c s PHE 16 Cb -0.96 -3.23 0.04 0.00 -0.57 0.00 0.00 43.02 38.30 1j5c s PHE 16 CO 0.54 -0.37 0.19 -2.00 -0.10 0.00 0.00 175.22 173.49 1j5c s GLU 17 N -1.39 0.12 0.14 0.44 -6.30 -1.26 -1.59 118.70 108.87 1j5c s GLU 17 Ca 0.44 0.48 -0.30 0.00 -2.50 0.00 0.00 54.97 53.09 1j5c s GLU 17 Cb -0.31 -0.16 -0.07 0.00 0.00 0.00 0.00 34.13 33.59 1j5c s GLU 17 CO 0.39 -0.20 1.13 -1.25 0.02 0.00 0.00 175.26 175.36 1j5c s PRO 18 N 1.48 4.54 0.21 4.30 0.04 -1.26 -4.20 135.00 140.10 1j5c s PRO 18 Ca -0.06 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 1j5c s PRO 18 Cb -0.11 -3.30 0.20 0.00 0.04 0.00 0.00 34.50 31.33 1j5c s PRO 18 CO -0.07 -0.04 1.59 0.77 0.04 0.00 0.00 177.00 179.29 1j5c h SER 19 N 5.62 -1.05 -3.42 6.66 0.02 -1.68 -3.39 113.55 116.30 1j5c h SER 19 Ca -0.44 0.24 -0.68 0.00 -0.84 0.00 0.00 61.79 60.07 1j5c h SER 19 Cb 1.21 0.57 -0.16 0.00 0.14 0.00 0.00 62.40 64.16 1j5c h SER 19 CO 0.75 -0.29 -0.64 -0.89 -1.14 0.00 0.00 176.83 174.62 1j5c s THR 20 N -6.07 4.13 0.03 -2.27 2.01 -1.26 -2.05 115.64 110.16 1j5c s THR 20 Ca -0.14 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1j5c s THR 20 Cb 0.18 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1j5c s THR 20 CO 0.71 0.59 -0.05 0.68 -0.69 0.00 0.00 174.62 175.86 1j5c s VAL 21 N -0.87 0.33 0.16 3.82 -7.23 -1.21 -5.02 120.40 110.37 1j5c s VAL 21 Ca 0.13 -1.01 -0.18 0.00 -1.81 0.00 0.00 61.98 59.11 1j5c s VAL 21 Cb -0.11 -0.45 -0.07 0.00 0.56 0.00 0.00 36.38 36.30 1j5c s VAL 21 CO 0.02 -0.45 0.64 0.42 -0.31 0.00 0.00 175.10 175.42 1j5c s THR 22 N -1.46 4.68 0.04 5.32 -4.23 -1.26 -2.53 115.64 116.20 1j5c s THR 22 Ca -0.13 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1j5c s THR 22 Cb -0.10 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 1j5c s THR 22 CO -0.00 0.32 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.85 1j5c s ILE 23 N -1.38 0.27 -0.08 2.99 -1.16 0.13 -4.37 121.20 117.61 1j5c s ILE 23 Ca 0.37 -1.22 -0.02 0.00 -0.51 0.00 0.00 60.65 59.27 1j5c s ILE 23 Cb -0.17 -0.71 -0.04 0.00 0.61 0.00 0.00 42.46 42.15 1j5c s ILE 23 CO 0.20 -0.61 0.04 -0.54 -2.81 0.00 0.00 174.94 171.23 1j5c s LYS 24 N -2.19 3.08 -0.65 3.50 1.02 -1.26 0.50 119.74 123.74 1j5c s LYS 24 Ca -0.08 -0.37 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 1j5c s LYS 24 Cb -0.05 -2.88 -0.09 0.00 -0.52 0.00 0.00 37.83 34.29 1j5c s LYS 24 CO -0.03 0.71 2.34 0.00 -0.92 0.00 0.00 175.35 177.45 1j5c s ALA 25 N -0.97 1.27 0.00 5.17 0.00 -1.26 0.30 121.76 126.28 1j5c s ALA 25 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1j5c s ALA 25 Cb -0.12 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.55 1j5c s ALA 25 CO 0.05 -5.06 0.00 0.41 0.00 0.00 0.00 175.76 171.16 1j5c n GLY 26 N 6.38 1.73 3.68 0.00 0.00 0.51 -4.89 105.19 112.59 1j5c n GLY 26 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.14 -4.53 1.61 -0.58 0.15 -4.69 120.64 110.45 1j5c n GLU 27 Ca 0.00 -1.91 -0.25 0.00 -0.42 0.00 0.00 57.16 54.58 1j5c n GLU 27 Cb 0.00 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.28 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1j5c s GLU 28 N -5.70 1.82 -0.03 3.49 2.02 -1.26 -2.17 118.70 116.87 1j5c s GLU 28 Ca 0.73 -2.04 -0.02 0.00 0.02 0.00 0.00 54.97 53.66 1j5c s GLU 28 Cb -0.04 -1.09 0.02 0.00 0.10 0.00 0.00 34.13 33.11 1j5c s GLU 28 CO 0.53 -0.21 0.07 0.08 0.02 0.00 0.00 175.26 175.76 1j5c s VAL 29 N -3.10 -0.03 -0.16 2.63 1.01 -0.72 -3.29 120.40 116.74 1j5c s VAL 29 Ca 0.32 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1j5c s VAL 29 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 1j5c s VAL 29 CO 0.15 0.04 0.04 -0.75 0.00 0.00 0.00 175.10 174.58 1j5c s LYS 30 N 0.54 3.78 -0.39 2.72 2.20 -0.76 -1.94 119.74 125.90 1j5c s LYS 30 Ca -0.04 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.21 1j5c s LYS 30 Cb -0.06 -3.11 0.11 0.00 -1.51 0.00 0.00 37.83 33.26 1j5c s LYS 30 CO -0.02 0.35 0.14 -1.58 -0.36 0.00 0.00 175.35 173.87 1j5c s TRP 31 N 0.14 3.66 0.22 4.03 0.51 -0.77 -1.68 118.94 125.04 1j5c s TRP 31 Ca 0.03 -2.77 -0.14 0.00 -2.12 0.00 0.00 56.10 51.11 1j5c s TRP 31 Cb -0.13 -3.05 -0.08 0.00 -0.81 0.00 0.00 33.47 29.40 1j5c s TRP 31 CO 0.01 -0.95 0.61 0.54 -0.51 0.00 0.00 176.95 176.65 1j5c s VAL 32 N 0.91 4.81 -0.12 4.03 0.11 -1.13 -2.71 120.40 126.29 1j5c s VAL 32 Ca 0.10 0.80 -0.26 0.00 -2.93 0.00 0.00 61.98 59.70 1j5c s VAL 32 Cb -0.21 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 30.93 1j5c s VAL 32 CO -0.06 0.06 0.83 0.21 -3.33 0.00 0.00 175.10 172.81 1j5c s ASN 33 N -2.01 7.03 -0.13 3.54 2.47 -1.26 -0.63 114.94 123.94 1j5c s ASN 33 Ca 0.45 1.25 -0.12 0.00 0.42 0.00 0.00 52.86 54.86 1j5c s ASN 33 Cb -0.13 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 1j5c s ASN 33 CO 0.20 -0.33 -0.23 -3.20 -3.72 0.00 0.00 177.10 169.82 1j5c n ASN 34 N 4.76 1.49 0.00 -4.21 5.15 -1.22 -4.57 115.26 116.67 1j5c n ASN 34 Ca 0.04 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1j5c n ASN 34 Cb 0.50 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 1j5c n ASN 34 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1j5c n LYS 35 N -4.08 -1.52 -3.13 1.20 4.81 -1.04 -4.91 118.16 109.49 1j5c n LYS 35 Ca -0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.21 1j5c n LYS 35 Cb 0.34 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.44 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 -3.21 -4.31 3.14 4.32 -1.26 -4.59 117.00 111.09 1j5c n LEU 36 Ca 0.00 -0.41 -0.34 0.00 -0.02 0.00 0.00 56.01 55.25 1j5c n LEU 36 Cb 0.00 -2.31 0.11 0.00 -1.62 0.00 0.00 43.42 39.61 1j5c n LEU 36 CO 0.00 0.36 -0.44 -1.54 -1.22 0.00 0.00 177.39 174.56 1j5c n SER 37 N -2.08 -2.79 -0.03 -1.43 3.41 -1.26 -3.98 113.62 105.46 1j5c n SER 37 Ca -0.10 0.21 -0.15 0.00 -0.26 0.00 0.00 58.87 58.58 1j5c n SER 37 Cb 0.58 -1.07 -0.11 0.00 -0.26 0.00 0.00 64.21 63.35 1j5c n SER 37 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1j5c h PRO 38 N -1.54 0.19 -4.04 4.33 0.13 -1.91 -3.49 132.00 125.66 1j5c h PRO 38 Ca -0.45 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 64.51 1j5c h PRO 38 Cb 1.30 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.41 1j5c h PRO 38 CO 0.33 0.88 -0.86 0.72 -0.23 0.00 0.00 178.00 178.84 1j5c n HIS 39 N -4.52 -2.44 -3.50 1.56 8.25 -1.26 -4.12 115.22 109.19 1j5c n HIS 39 Ca -0.09 1.42 -0.21 0.00 -0.26 0.00 0.00 57.72 58.58 1j5c n HIS 39 Cb 0.48 -2.82 -0.02 0.00 1.12 0.00 0.00 29.99 28.75 1j5c n HIS 39 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1j5c s ASN 40 N -0.35 5.08 -0.48 0.41 -0.87 -1.26 -4.11 114.94 113.36 1j5c s ASN 40 Ca -0.15 -0.76 0.08 0.00 -1.57 0.00 0.00 52.86 50.46 1j5c s ASN 40 Cb 0.01 -0.46 0.37 0.00 -0.02 0.00 0.00 41.25 41.15 1j5c s ASN 40 CO 0.41 -0.73 0.94 -0.38 -2.57 0.00 0.00 177.10 174.76 1j5c n ILE 41 N -1.63 2.07 -2.59 0.60 5.41 -1.26 -4.28 119.36 117.69 1j5c n ILE 41 Ca 0.04 -5.03 -0.41 0.00 1.00 0.00 0.00 62.75 58.36 1j5c n ILE 41 Cb 0.62 -0.95 -0.04 0.00 -0.71 0.00 0.00 39.64 38.55 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 -4.14 4.09 -0.11 1.39 1.01 -1.22 -2.18 120.40 119.24 1j5c s VAL 42 Ca 0.45 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 64.19 1j5c s VAL 42 Cb 0.33 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1j5c s VAL 42 CO -0.12 0.29 -0.05 -0.36 0.00 0.00 0.00 175.10 174.86 1j5c s PHE 43 N -0.13 2.99 0.20 5.22 0.40 -1.26 -1.89 117.98 123.51 1j5c s PHE 43 Ca 0.49 -0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1j5c s PHE 43 Cb -0.27 -1.83 -0.05 0.00 0.51 0.00 0.00 43.02 41.38 1j5c s PHE 43 CO 0.33 0.18 0.43 0.00 0.70 0.00 0.00 175.22 176.85 1j5c s ALA 44 N -0.29 3.76 -1.23 5.36 0.00 0.98 -4.69 121.76 125.65 1j5c s ALA 44 Ca 0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1j5c s ALA 44 Cb -0.13 -2.14 0.20 0.00 0.00 0.00 0.00 23.12 21.05 1j5c s ALA 44 CO 0.02 0.48 1.69 0.00 0.00 0.00 0.00 175.76 177.96 1j5c n ALA 45 N -0.42 4.98 -3.18 0.00 0.00 -1.26 -4.29 120.51 116.33 1j5c n ALA 45 Ca -0.03 -4.39 -0.46 0.00 0.00 0.00 0.00 53.44 48.56 1j5c n ALA 45 Cb 0.53 -2.88 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 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 0.89 6.18 0.00 0.00 1.01 -1.26 -4.48 116.67 119.01 1j5c s ASP 46 Ca 0.39 -1.65 0.00 0.00 0.71 0.00 0.00 52.55 51.99 1j5c s ASP 46 Cb 0.05 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1j5c s ASP 46 CO 0.02 -0.81 0.00 0.61 0.21 0.00 0.00 175.17 175.20 1j5c n GLY 47 N 5.24 1.83 3.90 0.21 0.00 -1.26 -4.86 105.19 110.25 1j5c n GLY 47 Ca -0.13 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.35 3.45 0.79 1.61 1.01 -1.26 -5.04 120.40 120.62 1j5c s VAL 48 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1j5c s VAL 48 Cb 0.00 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 33.03 1j5c s VAL 48 CO 0.00 -0.49 1.17 -1.81 0.00 0.00 0.00 175.10 173.96 1j5c s ASP 49 N -4.35 3.88 -0.05 3.32 1.01 -1.26 -4.78 116.67 114.44 1j5c s ASP 49 Ca 0.56 2.21 -0.18 0.00 0.71 0.00 0.00 52.55 55.85 1j5c s ASP 49 Cb -0.11 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 41.13 1j5c s ASP 49 CO 0.48 -2.47 0.76 0.00 0.21 0.00 0.00 175.17 174.15 1j5c h ALA 50 N -0.89 -0.32 -0.52 5.23 0.00 -1.96 -2.39 119.26 118.41 1j5c h ALA 50 Ca -0.46 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.33 1j5c h ALA 50 Cb 1.28 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1j5c h ALA 50 CO 0.48 -0.36 -0.56 -0.44 0.00 0.00 0.00 179.25 178.36 1j5c h ASP 51 N -0.96 -1.92 -0.55 0.00 3.32 -1.99 0.71 116.42 115.03 1j5c h ASP 51 Ca -0.03 0.26 0.11 0.00 0.02 0.00 0.00 57.03 57.39 1j5c h ASP 51 Cb 0.47 0.80 -0.11 0.00 0.22 0.00 0.00 39.33 40.71 1j5c h ASP 51 CO 0.05 -0.37 -0.16 0.74 -1.72 0.00 0.00 179.24 177.78 1j5c h THR 52 N -0.33 0.41 -0.06 0.35 2.02 -1.96 0.88 112.91 114.22 1j5c h THR 52 Ca 0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1j5c h THR 52 Cb 0.56 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1j5c h THR 52 CO -0.66 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.28 1j5c h ALA 53 N 1.49 2.00 0.16 6.16 0.00 -0.29 -0.05 119.26 128.73 1j5c h ALA 53 Ca 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1j5c h ALA 53 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j5c h ALA 53 CO -0.58 -0.08 -0.08 0.00 0.00 0.00 0.00 179.25 178.51 1j5c h ALA 54 N 1.97 -0.22 -0.30 0.00 0.00 0.68 1.69 119.26 123.07 1j5c h ALA 54 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j5c h ALA 54 Cb 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1j5c h ALA 54 CO -0.00 -0.59 0.11 -0.22 0.00 0.00 0.00 179.25 178.55 1j5c h LYS 55 N -0.28 0.46 0.00 0.00 3.64 -0.44 -0.98 116.57 118.97 1j5c h LYS 55 Ca -0.02 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1j5c h LYS 55 Cb 0.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1j5c h LYS 55 CO 0.04 0.48 0.00 1.28 -2.27 0.00 0.00 179.45 178.98 1j5c n LEU 56 N -4.72 0.19 -4.76 5.20 4.77 -0.12 -4.68 117.00 112.87 1j5c n LEU 56 Ca -0.02 0.54 -0.39 0.00 -0.03 0.00 0.00 56.01 56.11 1j5c n LEU 56 Cb 0.15 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1j5c n LEU 56 CO 0.36 -0.28 0.39 -0.55 -1.33 0.00 0.00 177.39 175.98 1j5c s SER 57 N -3.35 7.12 -0.45 -1.43 0.15 0.57 -4.49 113.70 111.83 1j5c s SER 57 Ca 0.07 1.33 -0.07 0.00 0.70 0.00 0.00 55.95 57.99 1j5c s SER 57 Cb 0.11 -2.42 0.12 0.00 -1.71 0.00 0.00 66.02 62.11 1j5c s SER 57 CO 0.34 0.08 0.29 -1.00 1.20 0.00 0.00 173.24 174.15 1j5c s HIS 58 N -0.23 3.49 -0.47 3.44 3.76 -0.92 -4.85 115.29 119.50 1j5c s HIS 58 Ca 0.35 -2.08 -0.01 0.00 -0.15 0.00 0.00 55.06 53.16 1j5c s HIS 58 Cb -0.20 -3.38 0.33 0.00 1.11 0.00 0.00 32.58 30.44 1j5c s HIS 58 CO 0.21 -0.98 2.02 1.63 -0.85 0.00 0.00 174.74 176.76 1j5c n LYS 59 N 4.78 2.20 -5.22 1.40 5.02 -1.26 -3.41 118.16 121.67 1j5c n LYS 59 Ca -0.06 -2.35 -0.30 0.00 -2.02 0.00 0.00 58.31 53.59 1j5c n LYS 59 Cb 0.41 -1.92 -0.16 0.00 -0.02 0.00 0.00 35.03 33.34 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 -0.74 1.21 -0.09 0.72 0.00 -1.26 -5.12 107.32 102.05 1j5c s GLY 60 Ca 0.46 -1.05 -0.20 0.00 0.00 0.00 0.00 44.72 43.93 1j5c s GLY 60 CO -0.00 -0.83 0.58 1.08 0.00 0.00 0.00 173.10 173.92 1j5c s LEU 61 N -0.50 4.31 0.17 0.66 1.02 -1.26 -4.57 118.68 118.51 1j5c s LEU 61 Ca 0.07 1.00 0.06 0.00 0.02 0.00 0.00 54.13 55.28 1j5c s LEU 61 Cb -0.10 -2.87 -0.04 0.00 0.02 0.00 0.00 46.19 43.20 1j5c s LEU 61 CO -0.00 -0.03 0.11 0.00 0.02 0.00 0.00 176.35 176.44 1j5c s ALA 62 N 0.61 3.49 0.08 4.21 0.00 -1.26 -4.98 121.76 123.91 1j5c s ALA 62 Ca 0.31 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1j5c s ALA 62 Cb -0.16 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1j5c s ALA 62 CO 0.14 0.48 0.00 1.19 0.00 0.00 0.00 175.76 177.57 1j5c n PHE 63 N -0.37 -2.50 -2.39 0.00 3.72 -1.26 -4.30 117.46 110.36 1j5c n PHE 63 Ca -0.08 0.26 -0.43 0.00 -0.05 0.00 0.00 57.45 57.14 1j5c n PHE 63 Cb 0.55 1.03 -0.02 0.00 -0.94 0.00 0.00 39.48 40.10 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 -2.00 3.63 -0.80 4.37 0.00 -1.26 -4.89 121.76 120.81 1j5c s ALA 64 Ca 0.00 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 1j5c s ALA 64 Cb 0.00 -3.61 -0.18 0.00 0.00 0.00 0.00 23.12 19.33 1j5c s ALA 64 CO 0.00 -1.10 1.89 0.00 0.00 0.00 0.00 175.76 176.55 1j5c n ALA 65 N 6.33 2.13 0.00 0.00 0.00 -1.26 -2.33 120.51 125.37 1j5c n ALA 65 Ca 0.14 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1j5c n ALA 65 Cb 0.45 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.32 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 5.15 0.13 3.55 0.00 0.00 -1.26 -4.97 105.19 107.78 1j5c n GLY 66 Ca 0.47 -0.07 -0.40 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 -0.98 2.99 0.10 1.61 2.02 -0.99 -4.92 118.70 118.53 1j5c s GLU 67 Ca 0.00 0.06 0.05 0.00 0.02 0.00 0.00 54.97 55.10 1j5c s GLU 67 Cb 0.00 -4.27 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 1j5c s GLU 67 CO 0.00 -2.36 -0.01 -1.54 0.02 0.00 0.00 175.26 171.37 1j5c s SER 68 N 5.33 4.95 0.49 -0.19 1.04 -1.26 -4.52 113.70 119.53 1j5c s SER 68 Ca 0.47 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.75 1j5c s SER 68 Cb -0.10 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.89 1j5c s SER 68 CO 0.17 0.16 0.43 -0.36 0.98 0.00 0.00 173.24 174.62 1j5c s PHE 69 N -1.36 2.12 0.02 5.02 0.08 -1.10 -4.94 117.98 117.82 1j5c s PHE 69 Ca 0.26 -0.67 -0.08 0.00 0.12 0.00 0.00 56.93 56.56 1j5c s PHE 69 Cb -0.11 -2.06 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 1j5c s PHE 69 CO 0.18 -0.37 0.15 0.99 -0.10 0.00 0.00 175.22 176.07 1j5c s THR 70 N -2.62 0.10 0.35 0.64 2.01 -1.26 -1.85 115.64 113.02 1j5c s THR 70 Ca 0.44 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1j5c s THR 70 Cb -0.03 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 1j5c s THR 70 CO 0.26 -0.47 0.40 -1.54 -0.69 0.00 0.00 174.62 172.58 1j5c n SER 71 N 1.00 -1.08 -3.81 3.53 3.41 -0.82 -4.95 113.62 110.90 1j5c n SER 71 Ca -0.20 -3.09 -0.12 0.00 -0.26 0.00 0.00 58.87 55.19 1j5c n SER 71 Cb 0.57 2.19 -0.11 0.00 -0.26 0.00 0.00 64.21 66.61 1j5c n SER 71 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5c s THR 72 N -3.09 0.03 -0.42 6.66 2.01 -1.26 -1.76 115.64 117.81 1j5c s THR 72 Ca 0.35 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 1j5c s THR 72 Cb 0.00 -0.41 0.11 0.00 0.01 0.00 0.00 72.50 72.22 1j5c s THR 72 CO 0.25 -0.16 0.20 -0.36 -0.69 0.00 0.00 174.62 173.86 1j5c s PHE 73 N -0.57 3.59 -0.08 4.92 0.40 -0.92 -4.81 117.98 120.51 1j5c s PHE 73 Ca -0.07 -2.64 -0.25 0.00 -0.60 0.00 0.00 56.93 53.38 1j5c s PHE 73 Cb -0.04 -3.13 -0.29 0.00 0.51 0.00 0.00 43.02 40.07 1j5c s PHE 73 CO 0.01 -0.94 0.85 1.15 0.70 0.00 0.00 175.22 177.00 1j5c h THR 74 N 6.26 1.63 -3.34 0.64 2.02 -1.88 1.48 112.91 119.72 1j5c h THR 74 Ca -0.09 -2.43 -0.57 0.00 0.77 0.00 0.00 66.41 64.09 1j5c h THR 74 Cb 1.02 3.25 -0.06 0.00 -1.74 0.00 0.00 68.15 70.63 1j5c h THR 74 CO 0.66 0.66 0.28 -1.61 0.37 0.00 0.00 175.52 175.88 1j5c s GLU 75 N -2.39 4.37 -1.12 6.66 8.01 -1.26 -4.44 118.70 128.53 1j5c s GLU 75 Ca -0.16 1.01 -0.22 0.00 0.01 0.00 0.00 54.97 55.61 1j5c s GLU 75 Cb -0.01 -3.52 -0.00 0.00 -4.31 0.00 0.00 34.13 26.29 1j5c s GLU 75 CO 0.77 -0.16 1.77 -1.25 0.01 0.00 0.00 175.26 176.40 1j5c s PRO 76 N 1.57 3.18 0.00 0.39 0.04 -1.26 -4.79 135.00 134.13 1j5c s PRO 76 Ca 0.39 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 60.22 1j5c s PRO 76 Cb -0.17 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.05 1j5c s PRO 76 CO 0.16 -2.97 0.00 0.41 0.04 0.00 0.00 177.00 174.64 1j5c n GLY 77 N 6.15 5.54 2.63 0.56 0.00 -1.26 -4.93 105.19 113.89 1j5c n GLY 77 Ca 0.42 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 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 1.79 0.03 0.43 2.61 2.01 -1.26 -2.19 115.64 119.06 1j5c s THR 78 Ca 0.00 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 1j5c s THR 78 Cb 0.00 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1j5c s THR 78 CO 0.00 -0.27 0.68 -0.31 -0.69 0.00 0.00 174.62 174.03 1j5c s TYR 79 N 2.08 3.47 0.01 4.92 1.51 -1.17 -4.82 117.35 123.36 1j5c s TYR 79 Ca 0.01 0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 56.58 1j5c s TYR 79 Cb -0.16 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.51 1j5c s TYR 79 CO -0.09 -0.16 0.04 0.99 -1.11 0.00 0.00 175.55 175.22 1j5c s THR 80 N -2.56 0.10 0.06 -0.71 2.01 -1.26 -2.57 115.64 110.71 1j5c s THR 80 Ca 0.45 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 1j5c s THR 80 Cb -0.10 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1j5c s THR 80 CO 0.40 -0.46 0.12 -0.72 -0.69 0.00 0.00 174.62 173.27 1j5c s TYR 81 N -1.51 0.22 -0.30 4.92 -0.85 -1.25 -0.01 117.35 118.57 1j5c s TYR 81 Ca -0.15 -0.61 -0.12 0.00 -0.52 0.00 0.00 57.07 55.67 1j5c s TYR 81 Cb -0.09 -0.14 0.16 0.00 0.38 0.00 0.00 41.96 42.27 1j5c s TYR 81 CO -0.00 -0.44 0.89 1.52 -1.52 0.00 0.00 175.55 175.99 1j5c s TYR 82 N -3.33 -0.89 0.13 -3.49 1.13 -0.79 -4.75 117.35 105.35 1j5c s TYR 82 Ca 0.01 1.37 -0.35 0.00 -1.41 0.00 0.00 57.07 56.69 1j5c s TYR 82 Cb 0.03 0.47 -0.16 0.00 -1.10 0.00 0.00 41.96 41.20 1j5c s TYR 82 CO -0.08 -0.46 1.33 0.00 -2.51 0.00 0.00 175.55 173.84 1j5c h GLU 84 N 4.43 -0.71 0.00 0.00 4.39 -1.96 -3.39 114.58 117.35 1j5c h GLU 84 Ca -0.46 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1j5c h GLU 84 Cb 1.32 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1j5c h GLU 84 CO 0.77 -0.41 0.00 -0.35 -1.16 0.00 0.00 179.01 177.86 1j5c n PRO 85 N -5.34 0.00 0.00 2.33 -0.04 -1.26 -4.81 135.00 125.88 1j5c n PRO 85 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1j5c n PRO 85 Cb 0.33 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 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 -0.46 0.00 -1.07 0.54 -0.00 -1.26 -4.47 115.22 108.50 1j5c n HIS 86 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1j5c n HIS 86 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1j5c n ARG 87 N 0.00 0.00 0.00 1.57 0.63 -1.26 -4.90 116.66 112.70 1j5c n ARG 87 Ca 0.00 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1j5c n ARG 87 Cb 0.00 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 31.84 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 -0.96 0.17 2.40 5.14 0.00 -1.26 -5.10 105.19 105.57 1j5c n GLY 88 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -3.53 0.00 4.61 0.00 -1.26 -5.04 120.51 115.28 1j5c n ALA 89 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 53.44 54.95 1j5c n ALA 89 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 16.50 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 1.13 1.62 1.39 0.00 0.00 -1.26 -5.12 105.19 102.94 1j5c n GLY 90 Ca -0.24 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1j5c n GLY 90 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1j5c n MET 91 N 0.00 0.00 -0.59 1.61 1.56 -1.26 -4.68 117.12 113.76 1j5c n MET 91 Ca 0.00 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.51 1j5c n MET 91 Cb 0.00 -0.31 -0.03 0.00 2.15 0.00 0.00 33.22 35.03 1j5c n MET 91 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1j5c n VAL 92 N -3.13 -0.02 0.00 1.12 0.31 -1.26 -3.53 118.33 111.82 1j5c n VAL 92 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1j5c n VAL 92 Cb 0.17 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 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 -3.23 3.43 3.25 2.92 0.00 -1.26 -4.22 105.19 106.08 1j5c n GLY 93 Ca -0.02 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -5.09 1.02 0.22 1.61 -2.85 -0.87 -3.97 119.74 109.81 1j5c s LYS 94 Ca 0.00 -1.23 0.09 0.00 -1.00 0.00 0.00 55.97 53.83 1j5c s LYS 94 Cb 0.00 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 1j5c s LYS 94 CO 0.00 -0.34 -0.01 0.08 0.10 0.00 0.00 175.35 175.18 1j5c s VAL 95 N -3.98 3.54 -0.03 1.79 1.01 -1.06 -3.31 120.40 118.36 1j5c s VAL 95 Ca 0.17 -1.67 -0.00 0.00 0.00 0.00 0.00 61.98 60.48 1j5c s VAL 95 Cb 0.05 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1j5c s VAL 95 CO -0.01 -0.23 0.03 -0.69 0.00 0.00 0.00 175.10 174.19 1j5c s VAL 96 N -1.99 -0.02 -0.30 2.92 1.01 -1.05 -3.02 120.40 117.95 1j5c s VAL 96 Ca 0.29 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 1j5c s VAL 96 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1j5c s VAL 96 CO 0.19 0.12 0.42 -0.69 0.00 0.00 0.00 175.10 175.14 1j5c s VAL 97 N 1.30 5.12 -2.84 2.92 1.01 -0.93 0.18 120.40 127.17 1j5c s VAL 97 Ca -0.06 0.49 0.25 0.00 0.00 0.00 0.00 61.98 62.66 1j5c s VAL 97 Cb -0.13 -3.80 0.31 0.00 0.00 0.00 0.00 36.38 32.76 1j5c s VAL 97 CO -0.03 0.03 1.42 -0.67 0.00 0.00 0.00 175.10 175.85