#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 -0.03 -0.05 0.00 2.20 -1.26 -4.56 114.94 111.24 1j5c s ASN 2 Ca 0.00 -0.07 0.02 0.00 -0.94 0.00 0.00 52.86 51.88 1j5c s ASN 2 Cb 0.00 0.24 0.01 0.00 -2.00 0.00 0.00 41.25 39.50 1j5c s ASN 2 CO 0.00 -0.30 -0.11 0.00 -2.94 0.00 0.00 177.10 173.76 1j5c s ALA 3 N -1.02 1.09 0.02 3.54 0.00 -1.23 -4.94 121.76 119.22 1j5c s ALA 3 Ca -0.11 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1j5c s ALA 3 Cb -0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1j5c s ALA 3 CO 0.01 0.13 -0.04 -0.08 0.00 0.00 0.00 175.76 175.78 1j5c s THR 4 N 0.45 0.22 0.02 0.00 -1.32 -1.26 -1.89 115.64 111.86 1j5c s THR 4 Ca -0.09 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1j5c s THR 4 Cb -0.13 -0.33 -0.02 0.00 -1.51 0.00 0.00 72.50 70.51 1j5c s THR 4 CO 0.02 -0.41 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.29 1j5c s VAL 5 N -1.27 0.20 -0.25 5.08 1.01 -0.85 -4.76 120.40 119.56 1j5c s VAL 5 Ca -0.13 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1j5c s VAL 5 Cb -0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1j5c s VAL 5 CO -0.01 -0.47 0.11 -1.59 0.00 0.00 0.00 175.10 173.14 1j5c s LYS 6 N -1.48 3.80 -0.75 2.72 -2.85 -1.25 -1.92 119.74 118.02 1j5c s LYS 6 Ca -0.15 -0.40 -0.26 0.00 -1.00 0.00 0.00 55.97 54.16 1j5c s LYS 6 Cb -0.10 -3.43 -0.10 0.00 -2.06 0.00 0.00 37.83 32.15 1j5c s LYS 6 CO -0.01 -0.12 2.26 -1.64 0.10 0.00 0.00 175.35 175.94 1j5c s MET 7 N 1.50 1.98 0.00 1.78 -1.94 -0.12 -4.20 119.30 118.31 1j5c s MET 7 Ca 0.06 0.49 0.00 0.00 -1.71 0.00 0.00 55.69 54.54 1j5c s MET 7 Cb -0.15 -4.78 0.00 0.00 2.01 0.00 0.00 34.83 31.91 1j5c s MET 7 CO 0.06 -3.86 0.00 0.41 -0.01 0.00 0.00 175.02 171.61 1j5c n GLY 8 N 6.58 2.87 3.75 -0.03 0.00 -1.26 -2.86 105.19 114.25 1j5c n GLY 8 Ca 0.41 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 7.45 0.19 1.61 0.01 -1.02 -4.74 113.70 117.21 1j5c s SER 9 Ca 0.00 1.73 -0.24 0.00 1.31 0.00 0.00 55.95 58.75 1j5c s SER 9 Cb 0.00 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.78 1j5c s SER 9 CO 0.00 0.11 1.56 -0.78 0.41 0.00 0.00 173.24 174.54 1j5c h ASP 10 N 4.74 -1.57 -0.46 2.44 3.58 -1.94 0.55 116.42 123.76 1j5c h ASP 10 Ca -0.45 0.28 0.05 0.00 0.42 0.00 0.00 57.03 57.33 1j5c h ASP 10 Cb 1.21 0.75 -0.09 0.00 1.72 0.00 0.00 39.33 42.92 1j5c h ASP 10 CO 0.68 -0.30 -0.55 0.28 -2.88 0.00 0.00 179.24 176.47 1j5c h SER 11 N -0.11 -1.86 0.00 2.28 0.02 -2.03 -3.45 113.55 108.40 1j5c h SER 11 Ca 0.23 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1j5c h SER 11 Cb 0.55 0.77 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1j5c h SER 11 CO -0.83 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 175.08 1j5c n GLY 12 N -1.37 -0.53 3.48 -3.77 0.00 0.18 -5.18 105.19 98.00 1j5c n GLY 12 Ca -0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 2.56 -0.81 4.61 0.00 -1.22 -4.93 121.76 121.96 1j5c s ALA 13 Ca 0.00 -2.05 -0.00 0.00 0.00 0.00 0.00 51.96 49.91 1j5c s ALA 13 Cb 0.00 0.31 0.35 0.00 0.00 0.00 0.00 23.12 23.79 1j5c s ALA 13 CO 0.00 -0.14 1.75 -0.11 0.00 0.00 0.00 175.76 177.26 1j5c n LEU 14 N -0.71 6.82 -3.82 0.00 7.94 -1.26 -2.43 117.00 123.54 1j5c n LEU 14 Ca -0.04 -5.10 -0.19 0.00 -1.11 0.00 0.00 56.01 49.56 1j5c n LEU 14 Cb 0.65 -0.96 -0.17 0.00 0.53 0.00 0.00 43.42 43.47 1j5c n LEU 14 CO 0.43 1.95 -0.38 0.68 -1.11 0.00 0.00 177.39 178.96 1j5c s VAL 15 N -4.92 0.31 -0.30 1.96 -7.23 -1.26 -4.24 120.40 104.71 1j5c s VAL 15 Ca 0.48 0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.41 1j5c s VAL 15 Cb 0.36 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.90 1j5c s VAL 15 CO -0.29 0.19 1.26 -0.36 -0.31 0.00 0.00 175.10 175.60 1j5c s PHE 16 N 1.22 2.76 -0.03 2.82 0.08 -1.26 -3.51 117.98 120.06 1j5c s PHE 16 Ca -0.07 0.91 0.04 0.00 0.12 0.00 0.00 56.93 57.94 1j5c s PHE 16 Cb -0.13 -3.88 -0.00 0.00 -0.57 0.00 0.00 43.02 38.43 1j5c s PHE 16 CO -0.02 -1.57 -0.15 -2.00 -0.10 0.00 0.00 175.22 171.39 1j5c s GLU 17 N 4.08 1.49 0.24 0.44 2.12 -1.26 -1.37 118.70 124.44 1j5c s GLU 17 Ca 0.54 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 1j5c s GLU 17 Cb -0.16 -1.33 -0.09 0.00 0.26 0.00 0.00 34.13 32.81 1j5c s GLU 17 CO 0.22 0.22 1.09 -1.25 -0.54 0.00 0.00 175.26 175.01 1j5c s PRO 18 N 0.02 4.63 0.17 4.30 0.04 -1.26 -3.74 135.00 139.16 1j5c s PRO 18 Ca -0.02 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 1j5c s PRO 18 Cb -0.10 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.32 1j5c s PRO 18 CO 0.01 0.18 1.69 0.77 0.04 0.00 0.00 177.00 179.69 1j5c h SER 19 N 4.30 -0.23 -3.10 6.66 0.02 -1.55 -3.41 113.55 116.26 1j5c h SER 19 Ca -0.46 0.10 -0.67 0.00 -0.84 0.00 0.00 61.79 59.93 1j5c h SER 19 Cb 1.21 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 63.83 1j5c h SER 19 CO 0.69 -0.07 -0.58 -0.89 -1.14 0.00 0.00 176.83 174.84 1j5c s THR 20 N -6.19 4.72 -0.01 -2.27 2.01 -1.26 -2.06 115.64 110.57 1j5c s THR 20 Ca -0.14 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 1j5c s THR 20 Cb 0.14 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1j5c s THR 20 CO 0.71 0.50 0.09 0.68 -0.69 0.00 0.00 174.62 175.91 1j5c s VAL 21 N -1.04 0.06 0.24 3.82 -7.23 -1.22 -5.02 120.40 110.00 1j5c s VAL 21 Ca 0.18 -0.48 -0.25 0.00 -1.81 0.00 0.00 61.98 59.62 1j5c s VAL 21 Cb -0.12 -0.30 -0.09 0.00 0.56 0.00 0.00 36.38 36.44 1j5c s VAL 21 CO 0.08 -0.26 0.85 0.42 -0.31 0.00 0.00 175.10 175.87 1j5c s THR 22 N -0.87 4.32 0.06 5.32 -4.23 -1.26 -2.65 115.64 116.33 1j5c s THR 22 Ca -0.10 1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 62.05 1j5c s THR 22 Cb -0.06 -4.05 -0.01 0.00 1.34 0.00 0.00 72.50 69.72 1j5c s THR 22 CO 0.01 0.31 0.13 -0.51 -0.54 0.00 0.00 174.62 174.01 1j5c s ILE 23 N -1.41 0.15 0.25 2.99 -1.16 0.14 -4.15 121.20 118.01 1j5c s ILE 23 Ca 0.43 -1.20 0.09 0.00 -0.51 0.00 0.00 60.65 59.46 1j5c s ILE 23 Cb -0.20 -1.15 -0.04 0.00 0.61 0.00 0.00 42.46 41.68 1j5c s ILE 23 CO 0.25 -0.66 0.05 -0.54 -2.81 0.00 0.00 174.94 171.23 1j5c s LYS 24 N -3.24 2.48 -0.78 3.50 -0.14 -1.26 -0.90 119.74 119.39 1j5c s LYS 24 Ca 0.00 -1.28 -0.26 0.00 -1.36 0.00 0.00 55.97 53.08 1j5c s LYS 24 Cb 0.02 -2.30 0.01 0.00 -1.68 0.00 0.00 37.83 33.88 1j5c s LYS 24 CO -0.08 0.39 1.60 0.00 -0.76 0.00 0.00 175.35 176.50 1j5c s ALA 25 N -2.19 2.39 0.00 5.17 0.00 -1.03 -1.98 121.76 124.11 1j5c s ALA 25 Ca 0.31 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1j5c s ALA 25 Cb -0.07 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1j5c s ALA 25 CO 0.21 -3.79 0.00 0.41 0.00 0.00 0.00 175.76 172.59 1j5c n GLY 26 N 6.00 1.69 3.73 0.00 0.00 0.28 -4.93 105.19 111.97 1j5c n GLY 26 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.27 -4.37 1.61 4.71 -0.84 -4.74 120.64 114.74 1j5c n GLU 27 Ca 0.00 -1.93 -0.19 0.00 -0.01 0.00 0.00 57.16 55.03 1j5c n GLU 27 Cb 0.00 -1.53 -0.10 0.00 -1.01 0.00 0.00 31.44 28.80 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 -5.73 1.40 -0.02 3.49 2.02 -1.26 -2.39 118.70 116.21 1j5c s GLU 28 Ca 0.74 -1.69 0.02 0.00 0.02 0.00 0.00 54.97 54.06 1j5c s GLU 28 Cb -0.05 -0.91 0.00 0.00 0.10 0.00 0.00 34.13 33.28 1j5c s GLU 28 CO 0.54 0.01 -0.07 0.08 0.02 0.00 0.00 175.26 175.85 1j5c s VAL 29 N -3.18 0.62 -0.07 2.63 1.01 0.38 -3.51 120.40 118.27 1j5c s VAL 29 Ca 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1j5c s VAL 29 Cb 0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1j5c s VAL 29 CO 0.09 0.20 -0.04 -0.75 0.00 0.00 0.00 175.10 174.60 1j5c s LYS 30 N 0.17 2.84 -0.34 2.72 2.20 -0.79 -1.49 119.74 125.05 1j5c s LYS 30 Ca -0.02 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.12 1j5c s LYS 30 Cb -0.07 -2.67 0.10 0.00 -1.51 0.00 0.00 37.83 33.68 1j5c s LYS 30 CO 0.00 0.68 0.07 -1.58 -0.36 0.00 0.00 175.35 174.16 1j5c s TRP 31 N -0.83 3.22 0.06 4.03 0.51 -0.95 -2.00 118.94 122.97 1j5c s TRP 31 Ca 0.13 -2.69 -0.23 0.00 -2.12 0.00 0.00 56.10 51.19 1j5c s TRP 31 Cb -0.11 -2.61 -0.06 0.00 -0.81 0.00 0.00 33.47 29.88 1j5c s TRP 31 CO 0.02 -0.93 0.69 0.08 -0.51 0.00 0.00 176.95 176.30 1j5c s VAL 32 N 1.06 4.71 0.23 4.03 1.01 -0.81 -3.21 120.40 127.42 1j5c s VAL 32 Ca 0.11 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 1j5c s VAL 32 Cb -0.19 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1j5c s VAL 32 CO -0.12 0.44 0.94 0.21 0.00 0.00 0.00 175.10 176.56 1j5c s ASN 33 N -0.45 7.63 -0.01 3.32 2.47 -1.26 -0.94 114.94 125.70 1j5c s ASN 33 Ca 0.35 1.93 -0.02 0.00 0.42 0.00 0.00 52.86 55.53 1j5c s ASN 33 Cb -0.20 -2.61 -0.01 0.00 -1.45 0.00 0.00 41.25 36.98 1j5c s ASN 33 CO 0.21 0.14 -0.05 -3.20 -3.72 0.00 0.00 177.10 170.49 1j5c n ASN 34 N 1.62 0.45 -0.92 -4.21 5.15 -1.14 -4.64 115.26 111.58 1j5c n ASN 34 Ca -0.02 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 1j5c n ASN 34 Cb 0.47 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1j5c n ASN 34 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1j5c n LYS 35 N -2.93 0.00 -2.72 1.20 4.76 -1.17 -4.87 118.16 112.42 1j5c n LYS 35 Ca -0.02 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1j5c n LYS 35 Cb 0.07 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j5c n LEU 36 N 0.00 -5.80 -4.88 -0.35 7.99 -1.26 -4.70 117.00 107.99 1j5c n LEU 36 Ca 0.00 -0.05 -0.32 0.00 -0.01 0.00 0.00 56.01 55.64 1j5c n LEU 36 Cb 0.00 -2.82 -0.05 0.00 -0.11 0.00 0.00 43.42 40.44 1j5c n LEU 36 CO 0.00 -0.91 0.12 -0.44 -1.51 0.00 0.00 177.39 174.66 1j5c s SER 37 N -2.78 6.57 0.65 -1.43 0.01 -1.26 -4.21 113.70 111.24 1j5c s SER 37 Ca 0.00 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1j5c s SER 37 Cb -0.00 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1j5c s SER 37 CO 0.59 -0.00 0.00 -0.81 0.41 0.00 0.00 173.24 173.43 1j5c n PRO 38 N 0.03 0.03 -3.60 12.44 -0.04 -1.26 -5.11 135.00 137.50 1j5c n PRO 38 Ca -0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 1j5c n PRO 38 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.65 -1.12 0.01 0.54 3.76 0.28 -4.94 115.29 113.17 1j5c s HIS 39 Ca 0.00 1.88 0.08 0.00 -0.15 0.00 0.00 55.06 56.87 1j5c s HIS 39 Cb 0.00 0.54 -0.02 0.00 1.11 0.00 0.00 32.58 34.21 1j5c s HIS 39 CO 0.00 -0.61 -0.25 -0.80 -0.85 0.00 0.00 174.74 172.23 1j5c s ASN 40 N 2.76 2.94 -0.59 1.40 -0.87 -1.26 -1.61 114.94 117.72 1j5c s ASN 40 Ca -0.01 -0.51 0.06 0.00 -1.57 0.00 0.00 52.86 50.83 1j5c s ASN 40 Cb -0.12 -0.29 0.25 0.00 -0.02 0.00 0.00 41.25 41.07 1j5c s ASN 40 CO -0.16 0.27 0.71 -0.38 -2.57 0.00 0.00 177.10 174.97 1j5c n ILE 41 N 2.13 1.81 -2.70 0.60 5.41 -1.26 -3.83 119.36 121.52 1j5c n ILE 41 Ca -0.16 -5.01 -0.38 0.00 1.00 0.00 0.00 62.75 58.19 1j5c n ILE 41 Cb 0.52 -2.03 -0.06 0.00 -0.71 0.00 0.00 39.64 37.36 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 -2.32 4.02 -0.05 1.39 1.01 -1.25 -1.84 120.40 121.36 1j5c s VAL 42 Ca 0.39 1.80 0.05 0.00 0.00 0.00 0.00 61.98 64.22 1j5c s VAL 42 Cb 0.16 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1j5c s VAL 42 CO -0.03 0.25 -0.18 -0.36 0.00 0.00 0.00 175.10 174.77 1j5c s PHE 43 N -1.44 2.58 0.06 5.22 0.40 -1.26 -1.98 117.98 121.56 1j5c s PHE 43 Ca 0.48 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.47 1j5c s PHE 43 Cb -0.23 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 1j5c s PHE 43 CO 0.29 0.07 0.27 0.00 0.70 0.00 0.00 175.22 176.54 1j5c s ALA 44 N -0.60 3.90 -1.30 5.36 0.00 0.12 -4.64 121.76 124.60 1j5c s ALA 44 Ca 0.09 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 1j5c s ALA 44 Cb -0.11 -1.98 0.11 0.00 0.00 0.00 0.00 23.12 21.14 1j5c s ALA 44 CO 0.01 0.73 1.78 0.00 0.00 0.00 0.00 175.76 178.27 1j5c n ALA 45 N 0.52 4.42 -3.00 0.00 0.00 -1.26 -4.17 120.51 117.02 1j5c n ALA 45 Ca -0.07 -4.07 -0.43 0.00 0.00 0.00 0.00 53.44 48.87 1j5c n ALA 45 Cb 0.52 -3.30 -0.08 0.00 0.00 0.00 0.00 19.45 16.58 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 2.92 6.01 0.00 0.00 1.11 -1.26 -4.51 116.67 120.94 1j5c s ASP 46 Ca 0.46 -1.39 0.00 0.00 0.18 0.00 0.00 52.55 51.80 1j5c s ASP 46 Cb 0.05 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.91 1j5c s ASP 46 CO 0.01 -0.63 0.00 0.61 1.18 0.00 0.00 175.17 176.34 1j5c n GLY 47 N 5.13 1.79 3.91 0.21 0.00 -1.26 -4.79 105.19 110.18 1j5c n GLY 47 Ca -0.12 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.28 2.59 1.18 1.61 1.01 -1.26 -5.05 120.40 120.20 1j5c s VAL 48 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1j5c s VAL 48 Cb 0.00 -3.14 0.29 0.00 0.00 0.00 0.00 36.38 33.53 1j5c s VAL 48 CO 0.00 -0.16 1.02 -1.81 0.00 0.00 0.00 175.10 174.16 1j5c s ASP 49 N -4.48 0.87 -0.07 3.32 1.01 -1.26 -4.81 116.67 111.25 1j5c s ASP 49 Ca 0.59 1.35 -0.01 0.00 0.71 0.00 0.00 52.55 55.18 1j5c s ASP 49 Cb -0.11 -2.08 -0.00 0.00 1.01 0.00 0.00 42.92 41.74 1j5c s ASP 49 CO 0.47 -4.24 -0.03 0.00 0.21 0.00 0.00 175.17 171.58 1j5c h ALA 50 N -2.65 0.00 -0.85 5.23 0.00 -1.97 -2.98 119.26 116.04 1j5c h ALA 50 Ca -0.60 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 54.44 1j5c h ALA 50 Cb 1.34 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 1j5c h ALA 50 CO 0.49 0.08 0.16 -0.44 0.00 0.00 0.00 179.25 179.54 1j5c h ASP 51 N -0.68 -0.12 0.32 0.00 3.32 -1.99 0.20 116.42 117.46 1j5c h ASP 51 Ca 0.00 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1j5c h ASP 51 Cb 0.08 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1j5c h ASP 51 CO 0.00 -0.17 -0.31 0.74 -1.72 0.00 0.00 179.24 177.78 1j5c h THR 52 N 0.17 0.00 -0.43 0.35 2.02 -1.96 -0.32 112.91 112.74 1j5c h THR 52 Ca 0.52 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.82 1j5c h THR 52 Cb 1.02 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1j5c h THR 52 CO -0.68 0.00 0.56 0.00 0.37 0.00 0.00 175.52 175.78 1j5c h ALA 53 N -1.25 2.13 0.62 6.16 0.00 -1.01 -0.39 119.26 125.52 1j5c h ALA 53 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1j5c h ALA 53 Cb 0.54 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1j5c h ALA 53 CO -0.03 -0.79 -0.37 0.00 0.00 0.00 0.00 179.25 178.06 1j5c h ALA 54 N 1.28 -1.20 -0.77 0.00 0.00 0.11 1.48 119.26 120.17 1j5c h ALA 54 Ca 0.21 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1j5c h ALA 54 Cb 1.33 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 1j5c h ALA 54 CO -0.00 -1.16 0.50 -0.22 0.00 0.00 0.00 179.25 178.37 1j5c h LYS 55 N -0.93 0.74 0.00 0.00 3.64 -0.75 0.37 116.57 119.64 1j5c h LYS 55 Ca -0.08 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1j5c h LYS 55 Cb 0.74 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1j5c h LYS 55 CO 0.09 0.49 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.38 1j5c h LEU 56 N 0.77 0.00 -9.80 5.20 -0.00 -0.88 -3.43 115.31 107.15 1j5c h LEU 56 Ca 0.34 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.73 1j5c h LEU 56 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1j5c h LEU 56 CO -0.12 0.31 0.40 -0.55 -0.00 0.00 0.00 178.44 178.48 1j5c s SER 57 N -6.43 7.41 -0.50 -0.43 0.15 0.50 -4.59 113.70 109.82 1j5c s SER 57 Ca -0.01 2.05 -0.11 0.00 0.70 0.00 0.00 55.95 58.58 1j5c s SER 57 Cb 0.12 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 61.94 1j5c s SER 57 CO 0.67 -0.02 0.39 -1.00 1.20 0.00 0.00 173.24 174.48 1j5c s HIS 58 N -1.27 3.39 -0.48 3.44 3.76 -0.77 -4.84 115.29 118.52 1j5c s HIS 58 Ca 0.45 -1.76 0.01 0.00 -0.15 0.00 0.00 55.06 53.61 1j5c s HIS 58 Cb -0.27 -3.57 0.49 0.00 1.11 0.00 0.00 32.58 30.34 1j5c s HIS 58 CO 0.34 -1.00 1.91 1.63 -0.85 0.00 0.00 174.74 176.77 1j5c n LYS 59 N 4.95 2.27 0.00 1.40 5.02 -1.26 -3.92 118.16 126.61 1j5c n LYS 59 Ca -0.09 -2.72 0.00 0.00 -2.02 0.00 0.00 58.31 53.48 1j5c n LYS 59 Cb 0.41 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 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 1.08 0.00 0.72 0.00 -1.26 -5.16 105.19 99.80 1j5c n GLY 60 Ca 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1j5c n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5c n LEU 61 N 0.00 0.00 -4.19 0.99 4.77 -1.26 -4.94 117.00 112.37 1j5c n LEU 61 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1j5c n LEU 61 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 1j5c n LEU 61 CO 0.00 0.00 -0.55 0.00 -1.33 0.00 0.00 177.39 175.51 1j5c s ALA 62 N 0.00 2.13 0.00 -1.18 0.00 -0.63 -4.94 121.76 117.13 1j5c s ALA 62 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1j5c s ALA 62 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1j5c s ALA 62 CO 0.00 0.19 0.00 1.97 0.00 0.00 0.00 175.76 177.92 1j5c n PHE 63 N 3.69 -0.31 -2.57 0.00 -1.74 -1.26 -0.56 117.46 114.71 1j5c n PHE 63 Ca -0.19 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.27 1j5c n PHE 63 Cb 0.53 0.26 -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 -1.53 3.08 -0.48 1.98 0.00 -1.26 -4.82 121.76 118.73 1j5c s ALA 64 Ca 0.00 -0.58 -0.46 0.00 0.00 0.00 0.00 51.96 50.92 1j5c s ALA 64 Cb 0.00 -3.95 -0.19 0.00 0.00 0.00 0.00 23.12 18.97 1j5c s ALA 64 CO 0.00 -2.43 1.68 0.00 0.00 0.00 0.00 175.76 175.02 1j5c n ALA 65 N 8.16 -1.04 0.00 0.00 0.00 -1.26 -2.27 120.51 124.10 1j5c n ALA 65 Ca 0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1j5c n ALA 65 Cb 0.49 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 4.47 4.69 3.57 0.00 0.00 -1.26 -5.08 105.19 111.57 1j5c n GLY 66 Ca 0.34 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 3.24 -0.11 1.61 2.02 -0.96 -4.95 118.70 119.54 1j5c s GLU 67 Ca 0.00 0.52 0.03 0.00 0.02 0.00 0.00 54.97 55.53 1j5c s GLU 67 Cb 0.00 -4.16 0.01 0.00 0.10 0.00 0.00 34.13 30.08 1j5c s GLU 67 CO 0.00 -2.01 -0.19 -1.12 0.02 0.00 0.00 175.26 171.95 1j5c s SER 68 N 4.87 2.74 0.77 -0.19 0.01 -1.26 -4.25 113.70 116.39 1j5c s SER 68 Ca 0.55 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 57.26 1j5c s SER 68 Cb -0.12 -1.25 0.14 0.00 0.21 0.00 0.00 66.02 64.99 1j5c s SER 68 CO 0.25 0.08 1.06 -0.36 0.41 0.00 0.00 173.24 174.68 1j5c s PHE 69 N 0.72 1.73 0.07 2.43 0.08 -1.20 -4.87 117.98 116.94 1j5c s PHE 69 Ca -0.11 -0.08 -0.06 0.00 0.12 0.00 0.00 56.93 56.79 1j5c s PHE 69 Cb -0.16 -3.25 -0.01 0.00 -0.57 0.00 0.00 43.02 39.03 1j5c s PHE 69 CO 0.02 -1.87 0.13 0.99 -0.10 0.00 0.00 175.22 174.39 1j5c s THR 70 N -3.30 0.16 -0.02 0.64 2.01 -1.26 -2.25 115.64 111.62 1j5c s THR 70 Ca 0.67 -1.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.30 1j5c s THR 70 Cb -0.06 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.16 1j5c s THR 70 CO 0.46 -0.72 0.15 -0.55 -0.69 0.00 0.00 174.62 173.27 1j5c s SER 71 N -2.73 -0.03 -0.21 3.53 0.15 -0.55 -4.95 113.70 108.90 1j5c s SER 71 Ca 0.04 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.65 1j5c s SER 71 Cb 0.05 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1j5c s SER 71 CO -0.10 -0.28 -0.14 -0.89 1.20 0.00 0.00 173.24 173.03 1j5c s THR 72 N -0.97 1.92 -0.64 6.45 2.01 -1.26 -0.47 115.64 122.68 1j5c s THR 72 Ca -0.11 -1.16 -0.20 0.00 0.31 0.00 0.00 61.69 60.53 1j5c s THR 72 Cb -0.06 -1.92 0.09 0.00 0.01 0.00 0.00 72.50 70.63 1j5c s THR 72 CO 0.01 0.24 0.84 -0.36 -0.69 0.00 0.00 174.62 174.66 1j5c s PHE 73 N 1.28 2.87 -0.07 4.92 0.40 -1.01 -4.84 117.98 121.54 1j5c s PHE 73 Ca -0.01 -0.82 0.14 0.00 -0.60 0.00 0.00 56.93 55.63 1j5c s PHE 73 Cb -0.16 -4.15 -0.13 0.00 0.51 0.00 0.00 43.02 39.09 1j5c s PHE 73 CO -0.09 -1.46 0.99 1.15 0.70 0.00 0.00 175.22 176.51 1j5c h THR 74 N 5.93 0.85 -3.47 0.64 2.02 -1.89 0.81 112.91 117.80 1j5c h THR 74 Ca -0.26 -2.44 -0.61 0.00 0.77 0.00 0.00 66.41 63.86 1j5c h THR 74 Cb 1.08 2.34 -0.14 0.00 -1.74 0.00 0.00 68.15 69.68 1j5c h THR 74 CO 1.13 0.49 -0.51 -0.70 0.37 0.00 0.00 175.52 176.30 1j5c s GLU 75 N -2.82 4.09 -1.03 6.66 2.56 -1.26 -4.54 118.70 122.36 1j5c s GLU 75 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 54.97 54.46 1j5c s GLU 75 Cb 0.08 -3.48 -0.00 0.00 2.00 0.00 0.00 34.13 32.74 1j5c s GLU 75 CO 0.80 0.14 1.73 -1.25 -0.56 0.00 0.00 175.26 176.12 1j5c s PRO 76 N 0.82 3.12 0.00 4.30 0.04 -1.26 -4.81 135.00 137.21 1j5c s PRO 76 Ca 0.07 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1j5c s PRO 76 Cb -0.13 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1j5c s PRO 76 CO 0.02 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1j5c n GLY 77 N 6.56 5.20 2.63 0.56 0.00 -1.26 -4.94 105.19 113.94 1j5c n GLY 77 Ca 0.39 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 0.87 0.28 0.32 2.61 2.01 -1.26 -2.26 115.64 118.20 1j5c s THR 78 Ca 0.00 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 1j5c s THR 78 Cb 0.00 -1.15 -0.09 0.00 0.01 0.00 0.00 72.50 71.27 1j5c s THR 78 CO 0.00 -0.61 0.81 -0.31 -0.69 0.00 0.00 174.62 173.83 1j5c s TYR 79 N 1.93 3.49 0.03 4.92 1.51 -1.23 -4.82 117.35 123.18 1j5c s TYR 79 Ca 0.07 1.45 0.08 0.00 -1.01 0.00 0.00 57.07 57.65 1j5c s TYR 79 Cb -0.16 -2.69 -0.02 0.00 -0.11 0.00 0.00 41.96 38.97 1j5c s TYR 79 CO -0.27 0.14 -0.22 0.99 -1.11 0.00 0.00 175.55 175.08 1j5c s THR 80 N -1.83 1.78 0.00 -0.71 2.01 -1.26 -1.83 115.64 113.80 1j5c s THR 80 Ca 0.52 -1.19 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1j5c s THR 80 Cb -0.13 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.85 1j5c s THR 80 CO 0.19 0.30 0.13 -0.72 -0.69 0.00 0.00 174.62 173.82 1j5c s TYR 81 N -0.74 0.05 -0.22 4.92 -0.85 -1.23 -0.70 117.35 118.58 1j5c s TYR 81 Ca 0.09 -0.14 -0.08 0.00 -0.52 0.00 0.00 57.07 56.42 1j5c s TYR 81 Cb -0.09 -0.05 0.09 0.00 0.38 0.00 0.00 41.96 42.29 1j5c s TYR 81 CO 0.01 -0.27 0.47 1.52 -1.52 0.00 0.00 175.55 175.76 1j5c s TYR 82 N -1.32 -0.88 -0.76 -3.49 1.13 -0.84 -4.33 117.35 106.85 1j5c s TYR 82 Ca -0.14 1.66 -0.35 0.00 -1.41 0.00 0.00 57.07 56.84 1j5c s TYR 82 Cb -0.07 0.40 -0.19 0.00 -1.10 0.00 0.00 41.96 40.99 1j5c s TYR 82 CO 0.01 -0.50 2.48 0.00 -2.51 0.00 0.00 175.55 175.03 1j5c n GLU 84 N 8.23 -0.24 0.00 0.00 2.13 -1.26 -4.24 120.64 125.26 1j5c n GLU 84 Ca 0.59 1.44 0.00 0.00 0.66 0.00 0.00 57.16 59.84 1j5c n GLU 84 Cb 0.07 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 29.65 1j5c n GLU 84 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1j5c n PRO 85 N -5.35 0.39 0.00 5.31 -0.04 -1.26 -4.41 135.00 129.64 1j5c n PRO 85 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1j5c n PRO 85 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.06 0.00 0.00 0.54 8.25 -1.26 -4.79 115.22 116.90 1j5c n HIS 86 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1j5c n HIS 86 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1j5c n ARG 87 N 0.00 0.00 -0.15 -0.41 0.63 -1.26 -4.32 116.66 111.16 1j5c n ARG 87 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1j5c n ARG 87 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 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 0.00 -2.55 0.34 5.14 0.00 -1.26 0.55 105.19 107.42 1j5c n GLY 88 Ca 0.00 0.72 0.03 0.00 0.00 0.00 0.00 46.02 46.77 1j5c n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c h ALA 89 N -0.35 0.47 -3.03 4.61 0.00 -1.93 -3.46 119.26 115.58 1j5c h ALA 89 Ca 0.06 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1j5c h ALA 89 Cb 0.14 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1j5c h ALA 89 CO -0.33 -0.46 -0.01 0.41 0.00 0.00 0.00 179.25 178.86 1j5c n GLY 90 N -1.55 0.87 3.65 0.00 0.00 0.19 -4.96 105.19 103.38 1j5c n GLY 90 Ca 0.12 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.01 3.99 0.44 1.61 -1.94 -1.26 -4.98 119.30 114.14 1j5c s MET 91 Ca 0.00 2.20 0.08 0.00 -1.71 0.00 0.00 55.69 56.26 1j5c s MET 91 Cb -0.00 -4.09 0.00 0.00 2.01 0.00 0.00 34.83 32.75 1j5c s MET 91 CO 0.01 -1.09 0.46 0.08 -0.01 0.00 0.00 175.02 174.46 1j5c s VAL 92 N 4.83 2.59 0.00 -6.03 1.01 -1.26 -4.36 120.40 117.18 1j5c s VAL 92 Ca 0.80 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1j5c s VAL 92 Cb -0.34 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1j5c s VAL 92 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1j5c n GLY 93 N -1.69 4.57 3.16 4.51 0.00 -1.26 -4.12 105.19 110.36 1j5c n GLY 93 Ca 0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.64 0.73 0.24 1.61 -2.85 -0.87 -3.48 119.74 111.47 1j5c s LYS 94 Ca 0.00 -0.97 0.08 0.00 -1.00 0.00 0.00 55.97 54.07 1j5c s LYS 94 Cb 0.00 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1j5c s LYS 94 CO 0.00 -0.20 0.10 0.08 0.10 0.00 0.00 175.35 175.43 1j5c s VAL 95 N -3.59 4.05 -0.05 1.79 1.01 -0.76 -3.45 120.40 119.40 1j5c s VAL 95 Ca 0.03 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 1j5c s VAL 95 Cb 0.04 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1j5c s VAL 95 CO -0.09 -0.31 0.02 -0.69 0.00 0.00 0.00 175.10 174.03 1j5c s VAL 96 N -2.11 0.21 -0.13 2.92 1.01 -1.08 -3.56 120.40 117.65 1j5c s VAL 96 Ca 0.32 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1j5c s VAL 96 Cb -0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1j5c s VAL 96 CO 0.22 0.21 0.03 -0.69 0.00 0.00 0.00 175.10 174.88 1j5c s VAL 97 N 1.79 4.54 0.00 2.92 1.01 -0.96 0.28 120.40 129.97 1j5c s VAL 97 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1j5c s VAL 97 Cb -0.13 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1j5c s VAL 97 CO -0.04 0.55 0.23 0.47 0.00 0.00 0.00 175.10 176.31