#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 2.93 0.56 0.00 0.01 -1.26 -5.04 114.94 112.13 1j5c s ASN 2 Ca 0.00 0.68 -0.14 0.00 -0.71 0.00 0.00 52.86 52.70 1j5c s ASN 2 Cb 0.00 -1.03 -0.06 0.00 0.41 0.00 0.00 41.25 40.57 1j5c s ASN 2 CO 0.00 -2.89 1.00 0.00 -1.51 0.00 0.00 177.10 173.70 1j5c s ALA 3 N -3.42 3.09 0.04 0.60 0.00 -1.15 -4.97 121.76 115.96 1j5c s ALA 3 Ca 0.68 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.59 1j5c s ALA 3 Cb -0.10 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1j5c s ALA 3 CO 0.53 -0.43 0.19 -0.08 0.00 0.00 0.00 175.76 175.97 1j5c s THR 4 N -2.86 0.11 0.00 0.00 -1.32 -1.26 -2.70 115.64 107.62 1j5c s THR 4 Ca 0.57 -0.94 -0.08 0.00 -1.21 0.00 0.00 61.69 60.03 1j5c s THR 4 Cb -0.10 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1j5c s THR 4 CO 0.41 -0.52 0.15 -0.69 -2.21 0.00 0.00 174.62 171.76 1j5c s VAL 5 N -2.71 0.08 -0.29 5.08 1.01 -0.95 -4.85 120.40 117.76 1j5c s VAL 5 Ca -0.04 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 1j5c s VAL 5 Cb -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1j5c s VAL 5 CO -0.05 -0.38 0.14 -1.59 0.00 0.00 0.00 175.10 173.22 1j5c s LYS 6 N -1.43 3.51 0.00 2.72 0.00 -1.25 -2.55 119.74 120.74 1j5c s LYS 6 Ca -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 55.97 55.23 1j5c s LYS 6 Cb -0.07 -3.52 0.00 0.00 0.00 0.00 0.00 37.83 34.24 1j5c s LYS 6 CO 0.02 -0.32 0.84 -1.33 0.00 0.00 0.00 175.35 174.55 1j5c n MET 7 N 4.98 0.00 -2.64 1.78 2.81 -0.28 -4.00 117.12 119.77 1j5c n MET 7 Ca -0.14 0.72 -0.40 0.00 -1.81 0.00 0.00 57.70 56.07 1j5c n MET 7 Cb 0.50 -1.34 -0.05 0.00 -0.71 0.00 0.00 33.22 31.62 1j5c n MET 7 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1j5c s GLY 8 N -0.68 3.06 0.62 3.03 0.00 -1.26 -4.40 107.32 107.69 1j5c s GLY 8 Ca 0.00 0.72 -0.14 0.00 0.00 0.00 0.00 44.72 45.30 1j5c s GLY 8 CO 0.00 1.29 1.05 -0.56 0.00 0.00 0.00 173.10 174.88 1j5c s SER 9 N -1.12 5.73 0.28 1.64 0.01 -0.89 -4.62 113.70 114.73 1j5c s SER 9 Ca 0.44 1.73 -0.03 0.00 1.31 0.00 0.00 55.95 59.39 1j5c s SER 9 Cb -0.28 -2.52 0.39 0.00 0.21 0.00 0.00 66.02 63.83 1j5c s SER 9 CO 0.35 -1.20 1.93 0.44 0.41 0.00 0.00 173.24 175.16 1j5c h ASP 10 N 0.09 1.03 -0.48 2.44 3.32 -1.94 -1.25 116.42 119.63 1j5c h ASP 10 Ca -0.46 -0.02 -0.31 0.00 0.02 0.00 0.00 57.03 56.27 1j5c h ASP 10 Cb 1.21 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 1j5c h ASP 10 CO 0.58 0.72 0.37 -1.20 -1.72 0.00 0.00 179.24 177.98 1j5c n SER 11 N -4.43 6.37 -4.31 6.45 7.64 -1.26 -4.81 113.62 119.27 1j5c n SER 11 Ca 0.12 -3.02 -0.32 0.00 1.01 0.00 0.00 58.87 56.67 1j5c n SER 11 Cb 0.07 -1.08 -0.10 0.00 -1.01 0.00 0.00 64.21 62.10 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 0.51 -0.15 3.87 0.23 0.00 -0.47 -4.92 105.19 104.26 1j5c n GLY 12 Ca 0.29 0.19 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.36 3.82 -0.12 4.61 0.00 -1.24 -4.90 121.76 119.58 1j5c s ALA 13 Ca 0.02 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 1j5c s ALA 13 Cb -0.01 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1j5c s ALA 13 CO 1.00 0.09 -0.06 -0.07 0.00 0.00 0.00 175.76 176.72 1j5c h LEU 14 N 1.27 0.00 -9.04 0.00 3.38 -1.92 -2.36 115.31 106.65 1j5c h LEU 14 Ca -0.46 -0.02 -0.79 0.00 0.09 0.00 0.00 57.88 56.70 1j5c h LEU 14 Cb 1.25 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.04 1j5c h LEU 14 CO 0.59 0.62 0.21 1.33 0.09 0.00 0.00 178.44 181.27 1j5c n VAL 15 N -4.71 0.01 -2.50 1.22 0.24 -1.26 -4.64 118.33 106.69 1j5c n VAL 15 Ca -0.03 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.86 1j5c n VAL 15 Cb 0.12 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.26 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 0.55 3.57 -0.04 6.34 0.08 -1.21 -4.45 117.98 122.82 1j5c s PHE 16 Ca 0.92 1.57 0.01 0.00 0.12 0.00 0.00 56.93 59.55 1j5c s PHE 16 Cb -1.26 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 37.91 1j5c s PHE 16 CO 0.59 -0.69 -0.05 -2.00 -0.10 0.00 0.00 175.22 172.97 1j5c s GLU 17 N -0.25 0.81 0.11 0.44 2.12 -1.26 -0.64 118.70 120.04 1j5c s GLU 17 Ca 0.50 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.38 1j5c s GLU 17 Cb -0.30 -0.80 -0.06 0.00 0.26 0.00 0.00 34.13 33.23 1j5c s GLU 17 CO 0.35 -0.03 1.15 -1.25 -0.54 0.00 0.00 175.26 174.93 1j5c s PRO 18 N 0.69 4.50 0.15 4.30 0.04 -1.26 -3.78 135.00 139.64 1j5c s PRO 18 Ca -0.09 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 1j5c s PRO 18 Cb -0.12 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1j5c s PRO 18 CO 0.00 -0.11 1.63 0.66 0.04 0.00 0.00 177.00 179.22 1j5c h SER 19 N 6.09 -0.81 -2.94 6.66 4.64 -1.13 -3.40 113.55 122.66 1j5c h SER 19 Ca -0.43 0.14 -0.67 0.00 -0.47 0.00 0.00 61.79 60.37 1j5c h SER 19 Cb 1.21 0.38 -0.11 0.00 -0.31 0.00 0.00 62.40 63.57 1j5c h SER 19 CO 0.77 -0.29 -0.54 -0.89 -0.87 0.00 0.00 176.83 175.01 1j5c s THR 20 N -6.07 5.03 -0.08 2.95 2.01 -1.26 -1.42 115.64 116.82 1j5c s THR 20 Ca -0.15 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 1j5c s THR 20 Cb 0.12 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.48 1j5c s THR 20 CO 0.68 0.60 0.19 0.68 -0.69 0.00 0.00 174.62 176.07 1j5c s VAL 21 N -0.85 -0.03 0.29 3.82 -7.23 -1.21 -5.02 120.40 110.18 1j5c s VAL 21 Ca 0.13 0.09 -0.22 0.00 -1.81 0.00 0.00 61.98 60.18 1j5c s VAL 21 Cb -0.12 -0.28 -0.09 0.00 0.56 0.00 0.00 36.38 36.45 1j5c s VAL 21 CO 0.03 0.04 0.84 -0.89 -0.31 0.00 0.00 175.10 174.80 1j5c s THR 22 N 0.73 4.42 0.07 5.32 2.01 -1.26 -1.64 115.64 125.29 1j5c s THR 22 Ca -0.05 1.49 -0.08 0.00 0.31 0.00 0.00 61.69 63.36 1j5c s THR 22 Cb -0.07 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1j5c s THR 22 CO -0.04 0.10 0.15 -0.51 -0.69 0.00 0.00 174.62 173.63 1j5c s ILE 23 N -1.66 0.15 0.37 1.82 2.07 0.19 -4.71 121.20 119.43 1j5c s ILE 23 Ca 0.49 -1.22 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 1j5c s ILE 23 Cb -0.16 -1.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.13 1j5c s ILE 23 CO 0.21 -0.67 0.58 -0.54 -1.91 0.00 0.00 174.94 172.60 1j5c s LYS 24 N -3.60 3.35 -0.58 3.50 -0.14 -1.26 0.20 119.74 121.21 1j5c s LYS 24 Ca 0.03 -0.42 -0.28 0.00 -1.36 0.00 0.00 55.97 53.94 1j5c s LYS 24 Cb 0.04 -2.65 0.01 0.00 -1.68 0.00 0.00 37.83 33.56 1j5c s LYS 24 CO -0.09 0.03 1.43 0.00 -0.76 0.00 0.00 175.35 175.95 1j5c s ALA 25 N -2.37 2.77 0.00 5.17 0.00 -1.26 -2.18 121.76 123.88 1j5c s ALA 25 Ca 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1j5c s ALA 25 Cb -0.10 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1j5c s ALA 25 CO 0.36 -3.02 0.00 0.41 0.00 0.00 0.00 175.76 173.51 1j5c n GLY 26 N 5.30 1.70 3.51 0.00 0.00 0.22 -4.95 105.19 110.96 1j5c n GLY 26 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.08 -2.17 -4.59 1.61 -0.58 -0.93 -4.69 120.64 109.21 1j5c n GLU 27 Ca 0.00 -1.81 -0.28 0.00 -0.42 0.00 0.00 57.16 54.65 1j5c n GLU 27 Cb 0.00 -1.44 -0.08 0.00 -0.57 0.00 0.00 31.44 29.35 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 -5.56 2.01 -0.10 3.49 2.02 -1.26 -1.81 118.70 117.49 1j5c s GLU 28 Ca 0.70 -2.25 -0.04 0.00 0.02 0.00 0.00 54.97 53.40 1j5c s GLU 28 Cb -0.04 -0.87 0.05 0.00 0.10 0.00 0.00 34.13 33.36 1j5c s GLU 28 CO 0.51 -0.45 0.21 0.08 0.02 0.00 0.00 175.26 175.63 1j5c s VAL 29 N -3.11 -0.14 -0.27 2.63 1.01 -0.82 -2.92 120.40 116.79 1j5c s VAL 29 Ca 0.18 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 1j5c s VAL 29 Cb 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1j5c s VAL 29 CO 0.11 0.09 0.15 -0.75 0.00 0.00 0.00 175.10 174.70 1j5c s LYS 30 N 1.58 3.87 -0.51 2.72 2.20 -1.10 -1.88 119.74 126.63 1j5c s LYS 30 Ca -0.06 -0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.07 1j5c s LYS 30 Cb -0.11 -3.55 0.13 0.00 -1.51 0.00 0.00 37.83 32.78 1j5c s LYS 30 CO -0.08 -0.16 0.42 -1.58 -0.36 0.00 0.00 175.35 173.59 1j5c s TRP 31 N 1.66 3.36 0.10 4.03 0.51 -0.54 -2.24 118.94 125.82 1j5c s TRP 31 Ca 0.07 -1.65 -0.14 0.00 -2.12 0.00 0.00 56.10 52.26 1j5c s TRP 31 Cb -0.16 -3.63 -0.06 0.00 -0.81 0.00 0.00 33.47 28.81 1j5c s TRP 31 CO 0.08 -1.00 0.50 0.08 -0.51 0.00 0.00 176.95 176.10 1j5c s VAL 32 N 1.43 4.92 -0.27 4.03 1.01 -1.06 -3.01 120.40 127.44 1j5c s VAL 32 Ca 0.05 0.80 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1j5c s VAL 32 Cb -0.27 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1j5c s VAL 32 CO 0.01 0.34 0.48 0.21 0.00 0.00 0.00 175.10 176.14 1j5c s ASN 33 N -1.55 6.37 -0.10 3.32 3.84 -1.26 -1.12 114.94 124.43 1j5c s ASN 33 Ca 0.33 0.40 -0.07 0.00 0.21 0.00 0.00 52.86 53.73 1j5c s ASN 33 Cb -0.16 -2.26 -0.02 0.00 -0.55 0.00 0.00 41.25 38.26 1j5c s ASN 33 CO 0.18 -0.28 -0.14 -3.20 -2.79 0.00 0.00 177.10 170.87 1j5c n ASN 34 N 5.51 1.34 -1.45 -4.21 5.15 -1.26 -4.45 115.26 115.88 1j5c n ASN 34 Ca -0.05 0.52 -0.02 0.00 -0.60 0.00 0.00 54.58 54.43 1j5c n ASN 34 Cb 0.50 -0.77 0.01 0.00 -0.53 0.00 0.00 39.78 38.98 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 -3.99 0.27 -2.50 1.20 4.76 -1.26 -4.89 118.16 111.74 1j5c n LYS 35 Ca -0.05 -0.58 -0.02 0.00 -2.87 0.00 0.00 58.31 54.79 1j5c n LYS 35 Cb 0.20 0.69 0.01 0.00 -1.84 0.00 0.00 35.03 34.09 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 -4.89 -4.90 -0.35 4.32 -1.26 -4.04 117.00 105.88 1j5c n LEU 36 Ca -0.02 -0.12 -0.30 0.00 -0.02 0.00 0.00 56.01 55.55 1j5c n LEU 36 Cb 0.15 -2.41 -0.04 0.00 -1.62 0.00 0.00 43.42 39.50 1j5c n LEU 36 CO 0.07 -0.57 0.06 -0.94 -1.22 0.00 0.00 177.39 174.79 1j5c s SER 37 N -2.74 6.47 0.54 -1.43 1.04 -1.26 -4.28 113.70 112.03 1j5c s SER 37 Ca 0.05 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1j5c s SER 37 Cb -0.01 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.03 1j5c s SER 37 CO 0.47 -0.01 0.00 -0.81 0.98 0.00 0.00 173.24 173.87 1j5c n PRO 38 N -0.25 0.19 -3.53 4.02 -0.04 -1.26 -4.89 135.00 129.24 1j5c n PRO 38 Ca -0.03 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1j5c n PRO 38 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.54 -0.91 -0.03 0.54 3.76 -0.62 -4.75 115.29 112.74 1j5c s HIS 39 Ca 0.00 1.62 0.06 0.00 -0.15 0.00 0.00 55.06 56.59 1j5c s HIS 39 Cb 0.00 0.55 -0.01 0.00 1.11 0.00 0.00 32.58 34.22 1j5c s HIS 39 CO 0.00 -0.45 -0.23 1.21 -0.85 0.00 0.00 174.74 174.42 1j5c s ASN 40 N 2.42 2.74 -0.86 1.40 3.84 -1.26 -1.86 114.94 121.35 1j5c s ASN 40 Ca -0.05 -0.44 0.01 0.00 0.21 0.00 0.00 52.86 52.59 1j5c s ASN 40 Cb -0.08 -0.51 0.28 0.00 -0.55 0.00 0.00 41.25 40.39 1j5c s ASN 40 CO -0.18 0.25 1.13 -0.38 -2.79 0.00 0.00 177.10 175.13 1j5c n ILE 41 N 2.74 3.89 -2.83 -5.21 -0.00 -1.26 -4.16 119.36 112.54 1j5c n ILE 41 Ca -0.17 -5.60 -0.40 0.00 -0.00 0.00 0.00 62.75 56.59 1j5c n ILE 41 Cb 0.52 -2.08 -0.06 0.00 -0.00 0.00 0.00 39.64 38.02 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 -2.67 4.18 -0.11 1.39 1.01 -1.16 -1.43 120.40 121.60 1j5c s VAL 42 Ca 0.35 1.95 0.02 0.00 0.00 0.00 0.00 61.98 64.30 1j5c s VAL 42 Cb 0.10 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1j5c s VAL 42 CO 0.05 0.49 -0.18 -0.36 0.00 0.00 0.00 175.10 175.10 1j5c s PHE 43 N -1.20 2.69 0.27 5.22 0.40 -1.26 -1.29 117.98 122.82 1j5c s PHE 43 Ca 0.40 -0.81 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 1j5c s PHE 43 Cb -0.25 -1.78 -0.08 0.00 0.51 0.00 0.00 43.02 41.43 1j5c s PHE 43 CO 0.30 -0.29 0.65 0.00 0.70 0.00 0.00 175.22 176.57 1j5c s ALA 44 N 0.31 3.44 -1.07 5.36 0.00 -0.01 -4.62 121.76 125.17 1j5c s ALA 44 Ca -0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1j5c s ALA 44 Cb -0.17 -2.62 0.27 0.00 0.00 0.00 0.00 23.12 20.60 1j5c s ALA 44 CO 0.07 0.41 1.04 0.00 0.00 0.00 0.00 175.76 177.28 1j5c s ALA 45 N -1.86 4.64 -0.07 0.00 0.00 -1.26 -4.33 121.76 118.87 1j5c s ALA 45 Ca 0.50 -3.84 -0.07 0.00 0.00 0.00 0.00 51.96 48.55 1j5c s ALA 45 Cb -0.11 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1j5c s ALA 45 CO 0.19 -2.19 -0.14 -3.47 0.00 0.00 0.00 175.76 170.15 1j5c n ASP 46 N 2.65 0.80 -1.19 0.00 2.03 -1.26 -4.63 116.55 114.94 1j5c n ASP 46 Ca 0.23 0.14 0.11 0.00 0.52 0.00 0.00 54.79 55.78 1j5c n ASP 46 Cb 0.39 -0.59 0.28 0.00 -0.72 0.00 0.00 41.12 40.48 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5c n GLY 47 N 1.52 1.99 3.32 0.27 0.00 -1.26 -4.92 105.19 106.11 1j5c n GLY 47 Ca -0.06 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.18 1.27 1.21 1.61 1.01 -1.26 -4.83 120.40 118.23 1j5c s VAL 48 Ca 0.43 -2.08 -0.15 0.00 0.00 0.00 0.00 61.98 60.18 1j5c s VAL 48 Cb 0.23 -2.17 0.30 0.00 0.00 0.00 0.00 36.38 34.74 1j5c s VAL 48 CO 0.30 -0.49 1.01 -1.81 0.00 0.00 0.00 175.10 174.12 1j5c s ASP 49 N -3.29 0.64 -0.13 3.32 1.01 -1.26 -4.71 116.67 112.26 1j5c s ASP 49 Ca 0.24 1.32 -0.19 0.00 0.71 0.00 0.00 52.55 54.64 1j5c s ASP 49 Cb 0.04 -2.04 -0.17 0.00 1.01 0.00 0.00 42.92 41.76 1j5c s ASP 49 CO 0.06 -4.38 0.47 0.00 0.21 0.00 0.00 175.17 171.54 1j5c h ALA 50 N -2.75 0.01 -0.38 5.23 0.00 -1.97 -2.35 119.26 117.06 1j5c h ALA 50 Ca -0.59 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 53.99 1j5c h ALA 50 Cb 1.34 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1j5c h ALA 50 CO 0.48 0.05 0.11 -0.44 0.00 0.00 0.00 179.25 179.45 1j5c h ASP 51 N -1.00 0.10 0.26 0.00 5.19 -1.98 0.60 116.42 119.59 1j5c h ASP 51 Ca -0.02 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1j5c h ASP 51 Cb 0.69 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 1j5c h ASP 51 CO -0.01 0.09 -0.21 0.74 -3.12 0.00 0.00 179.24 176.73 1j5c h THR 52 N 0.26 0.54 0.00 0.35 2.02 -1.95 -0.65 112.91 113.47 1j5c h THR 52 Ca 0.17 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1j5c h THR 52 Cb 0.17 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1j5c h THR 52 CO -0.20 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.67 1j5c h ALA 53 N 0.20 1.43 0.52 6.16 0.00 -0.98 -1.39 119.26 125.20 1j5c h ALA 53 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1j5c h ALA 53 Cb 0.44 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1j5c h ALA 53 CO -0.02 0.03 -0.25 0.00 0.00 0.00 0.00 179.25 179.01 1j5c h ALA 54 N 1.98 -1.10 -0.39 0.00 0.00 0.17 1.43 119.26 121.35 1j5c h ALA 54 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1j5c h ALA 54 Cb 0.07 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1j5c h ALA 54 CO 0.00 -1.05 0.02 0.87 0.00 0.00 0.00 179.25 179.10 1j5c h LYS 55 N -0.75 0.13 0.00 0.00 1.57 -1.08 0.29 116.57 116.73 1j5c h LYS 55 Ca -0.07 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1j5c h LYS 55 Cb 0.54 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1j5c h LYS 55 CO 0.12 0.08 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.92 1j5c h LEU 56 N 0.13 0.00 -9.20 2.94 4.07 -1.22 -3.40 115.31 108.63 1j5c h LEU 56 Ca 0.19 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.59 1j5c h LEU 56 Cb 0.26 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 1j5c h LEU 56 CO -0.30 0.10 0.75 -0.55 -1.08 0.00 0.00 178.44 177.36 1j5c s SER 57 N -6.68 7.07 -0.58 -0.43 0.15 0.49 -4.58 113.70 109.14 1j5c s SER 57 Ca -0.04 1.61 -0.20 0.00 0.70 0.00 0.00 55.95 58.03 1j5c s SER 57 Cb 0.15 -2.55 0.09 0.00 -1.71 0.00 0.00 66.02 62.00 1j5c s SER 57 CO 0.64 -0.63 0.73 -1.00 1.20 0.00 0.00 173.24 174.18 1j5c s HIS 58 N 2.77 2.96 0.06 3.44 3.76 -0.51 -4.82 115.29 122.94 1j5c s HIS 58 Ca 0.51 -0.79 -0.15 0.00 -0.15 0.00 0.00 55.06 54.48 1j5c s HIS 58 Cb -0.20 -3.96 -0.27 0.00 1.11 0.00 0.00 32.58 29.26 1j5c s HIS 58 CO 0.15 -1.29 1.13 0.87 -0.85 0.00 0.00 174.74 174.74 1j5c h LYS 59 N 9.21 0.64 -6.55 1.40 1.79 -1.89 -3.30 116.57 117.87 1j5c h LYS 59 Ca -0.29 -0.78 -0.44 0.00 -2.18 0.00 0.00 60.65 56.97 1j5c h LYS 59 Cb 1.09 0.24 0.23 0.00 -1.58 0.00 0.00 32.23 32.21 1j5c h LYS 59 CO 1.08 1.34 -1.20 0.41 -1.08 0.00 0.00 179.45 180.01 1j5c n GLY 60 N 1.26 -2.57 3.30 3.86 0.00 -1.26 -4.99 105.19 104.79 1j5c n GLY 60 Ca -0.13 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.24 2.10 -0.25 0.99 1.43 -1.26 -4.68 118.68 116.77 1j5c s LEU 61 Ca 0.52 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1j5c s LEU 61 Cb -0.09 -1.37 0.07 0.00 0.03 0.00 0.00 46.19 44.84 1j5c s LEU 61 CO 0.63 0.29 -0.01 0.00 0.23 0.00 0.00 176.35 177.49 1j5c s ALA 62 N -0.44 1.81 -0.01 4.21 0.00 -0.78 -4.94 121.76 121.61 1j5c s ALA 62 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1j5c s ALA 62 Cb -0.12 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1j5c s ALA 62 CO 0.01 -1.30 -0.01 1.97 0.00 0.00 0.00 175.76 176.43 1j5c n PHE 63 N 4.73 0.00 -2.79 0.00 -1.74 -1.26 -1.60 117.46 114.80 1j5c n PHE 63 Ca -0.09 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.38 1j5c n PHE 63 Cb 0.44 -0.05 -0.03 0.00 1.52 0.00 0.00 39.48 41.35 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 -2.03 3.64 1.07 1.98 0.00 -1.26 -4.69 121.76 120.47 1j5c s ALA 64 Ca -0.02 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.77 1j5c s ALA 64 Cb 0.01 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1j5c s ALA 64 CO 0.03 -0.93 -0.48 0.00 0.00 0.00 0.00 175.76 174.38 1j5c n ALA 65 N 5.99 -4.64 0.00 0.00 0.00 -1.26 -2.87 120.51 117.73 1j5c n ALA 65 Ca 0.08 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1j5c n ALA 65 Cb 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 2.51 1.90 3.60 0.00 0.00 -1.26 -4.95 105.19 106.98 1j5c n GLY 66 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 3.80 -0.01 1.61 2.02 -1.14 -4.99 118.70 119.99 1j5c s GLU 67 Ca 0.00 0.56 0.02 0.00 0.02 0.00 0.00 54.97 55.56 1j5c s GLU 67 Cb 0.00 -3.83 -0.00 0.00 0.10 0.00 0.00 34.13 30.40 1j5c s GLU 67 CO 0.00 -1.04 -0.06 -1.12 0.02 0.00 0.00 175.26 173.06 1j5c s SER 68 N 1.99 0.69 0.51 -0.19 0.01 -1.26 -4.23 113.70 111.22 1j5c s SER 68 Ca 0.40 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.62 1j5c s SER 68 Cb -0.11 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.07 1j5c s SER 68 CO 0.21 0.06 0.71 -0.36 0.41 0.00 0.00 173.24 174.27 1j5c s PHE 69 N -0.06 2.33 0.03 2.43 0.08 -1.16 -4.91 117.98 116.71 1j5c s PHE 69 Ca 0.01 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.59 1j5c s PHE 69 Cb -0.03 -2.47 -0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1j5c s PHE 69 CO -0.00 -0.83 0.15 0.99 -0.10 0.00 0.00 175.22 175.43 1j5c s THR 70 N -2.59 0.11 0.36 0.64 2.01 -1.26 -1.47 115.64 113.44 1j5c s THR 70 Ca 0.58 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.77 1j5c s THR 70 Cb -0.08 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1j5c s THR 70 CO 0.37 -0.49 0.24 -1.54 -0.69 0.00 0.00 174.62 172.51 1j5c n SER 71 N 0.98 -0.10 -3.82 3.53 3.41 -0.79 -4.95 113.62 111.87 1j5c n SER 71 Ca -0.20 -3.21 -0.13 0.00 -0.26 0.00 0.00 58.87 55.07 1j5c n SER 71 Cb 0.58 1.49 -0.13 0.00 -0.26 0.00 0.00 64.21 65.88 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 -3.29 -0.01 -0.45 6.66 2.01 -1.26 -1.95 115.64 117.35 1j5c s THR 72 Ca 0.34 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 1j5c s THR 72 Cb 0.02 -0.17 0.12 0.00 0.01 0.00 0.00 72.50 72.48 1j5c s THR 72 CO 0.24 0.01 0.26 -0.36 -0.69 0.00 0.00 174.62 174.09 1j5c s PHE 73 N 0.22 3.54 0.01 4.92 0.40 -0.75 -4.85 117.98 121.47 1j5c s PHE 73 Ca -0.01 -2.36 -0.13 0.00 -0.60 0.00 0.00 56.93 53.82 1j5c s PHE 73 Cb -0.02 -3.28 -0.34 0.00 0.51 0.00 0.00 43.02 39.89 1j5c s PHE 73 CO -0.01 -0.96 0.92 1.15 0.70 0.00 0.00 175.22 177.02 1j5c h THR 74 N 6.17 1.21 -3.44 0.64 2.02 -1.90 0.63 112.91 118.24 1j5c h THR 74 Ca -0.13 -2.69 -0.59 0.00 0.77 0.00 0.00 66.41 63.77 1j5c h THR 74 Cb 1.04 2.96 -0.10 0.00 -1.74 0.00 0.00 68.15 70.30 1j5c h THR 74 CO 0.73 0.83 -0.13 -1.61 0.37 0.00 0.00 175.52 175.71 1j5c s GLU 75 N -2.60 4.22 -1.08 6.66 8.01 -1.26 -4.44 118.70 128.20 1j5c s GLU 75 Ca -0.10 0.33 -0.22 0.00 0.01 0.00 0.00 54.97 54.98 1j5c s GLU 75 Cb 0.05 -3.52 -0.00 0.00 -4.31 0.00 0.00 34.13 26.34 1j5c s GLU 75 CO 0.92 -0.03 1.75 -1.25 0.01 0.00 0.00 175.26 176.66 1j5c s PRO 76 N 1.26 3.16 0.00 0.39 0.04 -1.26 -4.78 135.00 133.81 1j5c s PRO 76 Ca 0.22 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 60.17 1j5c s PRO 76 Cb -0.15 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1j5c s PRO 76 CO 0.09 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.62 1j5c n GLY 77 N 6.32 5.50 2.70 0.56 0.00 -1.26 -4.94 105.19 114.07 1j5c n GLY 77 Ca 0.41 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 2.51 -0.26 0.32 2.61 2.01 -1.26 -2.74 115.64 118.83 1j5c s THR 78 Ca 0.00 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1j5c s THR 78 Cb 0.00 -0.74 -0.08 0.00 0.01 0.00 0.00 72.50 71.70 1j5c s THR 78 CO 0.00 -0.32 0.69 -0.31 -0.69 0.00 0.00 174.62 173.99 1j5c s TYR 79 N 2.27 3.42 0.03 4.92 1.51 -1.21 -4.70 117.35 123.58 1j5c s TYR 79 Ca 0.07 1.05 0.06 0.00 -1.01 0.00 0.00 57.07 57.23 1j5c s TYR 79 Cb -0.16 -2.41 -0.02 0.00 -0.11 0.00 0.00 41.96 39.26 1j5c s TYR 79 CO -0.18 0.08 -0.18 0.99 -1.11 0.00 0.00 175.55 175.15 1j5c s THR 80 N -2.07 1.47 0.08 -0.71 2.01 -1.26 -2.46 115.64 112.70 1j5c s THR 80 Ca 0.51 -1.02 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1j5c s THR 80 Cb -0.10 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.17 1j5c s THR 80 CO 0.23 0.22 0.39 -0.72 -0.69 0.00 0.00 174.62 174.05 1j5c s TYR 81 N -0.69 -0.21 0.37 4.92 -0.85 -1.26 -0.83 117.35 118.80 1j5c s TYR 81 Ca 0.06 0.03 -0.16 0.00 -0.52 0.00 0.00 57.07 56.48 1j5c s TYR 81 Cb -0.08 0.21 0.05 0.00 0.38 0.00 0.00 41.96 42.53 1j5c s TYR 81 CO 0.01 -0.62 0.79 1.52 -1.52 0.00 0.00 175.55 175.73 1j5c s TYR 82 N -3.10 0.09 -0.39 -3.49 -0.85 -0.41 -4.60 117.35 104.59 1j5c s TYR 82 Ca -0.01 -0.74 -0.14 0.00 -0.52 0.00 0.00 57.07 55.66 1j5c s TYR 82 Cb 0.01 0.83 0.02 0.00 0.38 0.00 0.00 41.96 43.19 1j5c s TYR 82 CO -0.07 -1.53 0.27 0.00 -1.52 0.00 0.00 175.55 172.70 1j5c h GLU 84 N 8.56 0.00 0.10 0.00 5.08 -1.93 -3.35 114.58 123.04 1j5c h GLU 84 Ca -0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1j5c h GLU 84 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1j5c h GLU 84 CO 0.71 0.15 -0.05 -1.00 -1.00 0.00 0.00 179.01 177.81 1j5c h PRO 85 N -1.00 -0.13 -4.16 2.33 0.13 -1.94 -3.44 132.00 123.79 1j5c h PRO 85 Ca -0.05 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.51 1j5c h PRO 85 Cb 0.55 0.03 0.02 0.00 0.13 0.00 0.00 31.00 31.73 1j5c h PRO 85 CO -0.03 0.36 0.31 1.58 -0.23 0.00 0.00 178.00 179.99 1j5c n HIS 86 N -4.84 0.92 -1.67 1.56 -0.00 -1.26 -4.57 115.22 105.35 1j5c n HIS 86 Ca -0.07 0.77 -0.60 0.00 -0.00 0.00 0.00 57.72 57.82 1j5c n HIS 86 Cb 0.27 -1.51 -0.08 0.00 -0.00 0.00 0.00 29.99 28.67 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 2.09 0.78 -1.52 1.57 0.63 -1.26 -3.79 116.66 115.17 1j5c n ARG 87 Ca 0.18 0.28 -0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1j5c n ARG 87 Cb -0.00 -1.94 -0.00 0.00 0.45 0.00 0.00 32.46 30.97 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 4.58 -2.91 0.00 5.14 0.00 -1.26 -5.03 105.19 105.71 1j5c n GLY 88 Ca 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.02 0.00 -0.21 4.61 0.00 -1.25 -4.77 120.51 118.90 1j5c n ALA 89 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5c n ALA 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.22 2.72 1.35 0.00 0.00 -1.26 -4.63 105.19 103.59 1j5c n GLY 90 Ca 0.00 0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.27 1j5c n GLY 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j5c n MET 91 N 14.00 -2.95 -3.66 1.61 2.81 -1.26 -4.66 117.12 123.01 1j5c n MET 91 Ca 0.00 2.40 -0.07 0.00 -1.81 0.00 0.00 57.70 58.22 1j5c n MET 91 Cb 0.00 -3.52 -0.08 0.00 -0.71 0.00 0.00 33.22 28.90 1j5c n MET 91 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1j5c s VAL 92 N -4.33 -0.35 0.00 2.03 -7.23 -1.26 -4.93 120.40 104.33 1j5c s VAL 92 Ca 0.00 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1j5c s VAL 92 Cb 0.00 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.13 1j5c s VAL 92 CO 0.00 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1j5c n GLY 93 N 4.77 1.24 3.13 2.32 0.00 -1.26 -3.31 105.19 112.08 1j5c n GLY 93 Ca -0.17 0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.52 0.74 0.13 1.61 -2.85 -0.51 -4.11 119.74 114.24 1j5c s LYS 94 Ca 0.00 -1.26 0.04 0.00 -1.00 0.00 0.00 55.97 53.75 1j5c s LYS 94 Cb 0.00 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 1j5c s LYS 94 CO 0.00 -0.18 0.14 0.08 0.10 0.00 0.00 175.35 175.49 1j5c s VAL 95 N -3.95 4.64 -0.15 1.79 1.01 -1.03 -3.34 120.40 119.36 1j5c s VAL 95 Ca 0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1j5c s VAL 95 Cb 0.07 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 33.19 1j5c s VAL 95 CO -0.07 -0.01 0.07 -0.69 0.00 0.00 0.00 175.10 174.40 1j5c s VAL 96 N -1.61 0.06 0.94 2.92 1.01 -0.65 -3.29 120.40 119.77 1j5c s VAL 96 Ca 0.31 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 1j5c s VAL 96 Cb -0.11 -0.59 0.19 0.00 0.00 0.00 0.00 36.38 35.86 1j5c s VAL 96 CO 0.24 -0.16 1.30 -0.69 0.00 0.00 0.00 175.10 175.79 1j5c s VAL 97 N 2.08 2.00 -0.92 2.92 1.01 -1.11 0.58 120.40 126.96 1j5c s VAL 97 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1j5c s VAL 97 Cb -0.15 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1j5c s VAL 97 CO -0.08 0.00 0.73 -0.67 0.00 0.00 0.00 175.10 175.09