#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 7.00 -0.13 0.00 2.20 -1.26 -4.83 114.94 117.92 1j5c s ASN 2 Ca 0.00 2.05 -0.22 0.00 -0.94 0.00 0.00 52.86 53.75 1j5c s ASN 2 Cb 0.00 -2.59 -0.03 0.00 -2.00 0.00 0.00 41.25 36.62 1j5c s ASN 2 CO 0.00 -0.32 0.64 0.00 -2.94 0.00 0.00 177.10 174.48 1j5c s ALA 3 N -1.53 3.44 0.10 3.54 0.00 -1.16 -4.91 121.76 121.25 1j5c s ALA 3 Ca 0.53 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.51 1j5c s ALA 3 Cb -0.24 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1j5c s ALA 3 CO 0.30 -0.26 -0.22 -0.08 0.00 0.00 0.00 175.76 175.50 1j5c s THR 4 N 1.21 2.58 -0.04 0.00 -1.32 -1.26 -1.73 115.64 115.09 1j5c s THR 4 Ca 0.32 -1.50 0.01 0.00 -1.21 0.00 0.00 61.69 59.31 1j5c s THR 4 Cb -0.16 -2.13 0.02 0.00 -1.51 0.00 0.00 72.50 68.72 1j5c s THR 4 CO 0.14 0.18 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.00 1j5c s VAL 5 N -1.03 0.41 0.16 5.08 1.01 0.11 -4.81 120.40 121.32 1j5c s VAL 5 Ca 0.15 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1j5c s VAL 5 Cb -0.10 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 35.75 1j5c s VAL 5 CO 0.07 0.19 0.91 -1.59 0.00 0.00 0.00 175.10 174.68 1j5c s LYS 6 N 0.93 4.72 -0.61 2.72 -2.85 -1.21 -2.82 119.74 120.61 1j5c s LYS 6 Ca -0.11 1.38 -0.27 0.00 -1.00 0.00 0.00 55.97 55.97 1j5c s LYS 6 Cb -0.14 -3.33 -0.00 0.00 -2.06 0.00 0.00 37.83 32.30 1j5c s LYS 6 CO -0.00 0.37 1.63 -1.64 0.10 0.00 0.00 175.35 175.81 1j5c s MET 7 N -0.57 2.94 0.25 1.78 -1.94 0.15 -3.89 119.30 118.01 1j5c s MET 7 Ca 0.42 0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.83 1j5c s MET 7 Cb -0.24 -4.27 0.00 0.00 2.01 0.00 0.00 34.83 32.33 1j5c s MET 7 CO 0.29 -2.38 0.00 0.41 -0.01 0.00 0.00 175.02 173.33 1j5c n GLY 8 N 5.52 1.00 3.12 -0.03 0.00 -1.26 -3.45 105.19 110.09 1j5c n GLY 8 Ca 0.15 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 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 0.18 0.11 1.61 0.01 -1.14 -3.54 113.70 106.92 1j5c s SER 9 Ca 0.00 -0.53 -0.26 0.00 1.31 0.00 0.00 55.95 56.46 1j5c s SER 9 Cb 0.00 0.23 -0.09 0.00 0.21 0.00 0.00 66.02 66.37 1j5c s SER 9 CO 0.00 -0.51 1.65 -0.78 0.41 0.00 0.00 173.24 174.01 1j5c h ASP 10 N 3.65 -0.65 0.40 2.44 3.58 -1.93 -2.90 116.42 121.00 1j5c h ASP 10 Ca -0.32 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 1j5c h ASP 10 Cb 1.18 0.25 -0.03 0.00 1.72 0.00 0.00 39.33 42.46 1j5c h ASP 10 CO 0.50 -0.32 -0.44 0.28 -2.88 0.00 0.00 179.24 176.38 1j5c h SER 11 N -0.43 -1.22 0.00 2.28 0.02 -2.03 -3.47 113.55 108.71 1j5c h SER 11 Ca 0.03 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1j5c h SER 11 Cb 0.45 0.41 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1j5c h SER 11 CO -0.13 -0.59 0.00 0.61 -1.14 0.00 0.00 176.83 175.58 1j5c n GLY 12 N -1.52 -0.37 3.23 -3.77 0.00 -1.10 -5.19 105.19 96.48 1j5c n GLY 12 Ca -0.11 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 1.29 -0.18 4.61 0.00 -1.26 -4.92 121.76 121.31 1j5c s ALA 13 Ca 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.21 1j5c s ALA 13 Cb 0.00 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.75 1j5c s ALA 13 CO 0.00 -0.38 -0.11 1.28 0.00 0.00 0.00 175.76 176.55 1j5c n LEU 14 N -0.24 1.85 -4.41 0.00 7.99 -1.26 -2.89 117.00 118.04 1j5c n LEU 14 Ca -0.05 0.51 -0.48 0.00 -0.01 0.00 0.00 56.01 55.98 1j5c n LEU 14 Cb 0.64 -0.88 -0.03 0.00 -0.11 0.00 0.00 43.42 43.04 1j5c n LEU 14 CO 0.33 -0.16 0.03 1.33 -1.51 0.00 0.00 177.39 177.42 1j5c n VAL 15 N -4.52 1.93 -2.64 4.08 0.24 -1.17 -4.00 118.33 112.26 1j5c n VAL 15 Ca -0.19 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.34 61.24 1j5c n VAL 15 Cb 0.46 -0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 32.74 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 -0.96 3.75 -0.02 6.34 0.08 -1.00 -4.26 117.98 121.90 1j5c s PHE 16 Ca 0.65 1.80 -0.00 0.00 0.12 0.00 0.00 56.93 59.50 1j5c s PHE 16 Cb -0.93 -3.09 0.03 0.00 -0.57 0.00 0.00 43.02 38.45 1j5c s PHE 16 CO 0.56 -0.01 0.04 -2.00 -0.10 0.00 0.00 175.22 173.71 1j5c s GLU 17 N -1.49 -0.02 0.13 0.44 2.12 -1.23 -1.38 118.70 117.27 1j5c s GLU 17 Ca 0.45 0.20 -0.30 0.00 0.36 0.00 0.00 54.97 55.68 1j5c s GLU 17 Cb -0.27 -0.22 -0.07 0.00 0.26 0.00 0.00 34.13 33.83 1j5c s GLU 17 CO 0.34 -0.16 1.14 -1.25 -0.54 0.00 0.00 175.26 174.79 1j5c s PRO 18 N 1.01 4.52 0.17 4.30 0.04 -1.26 -3.33 135.00 140.45 1j5c s PRO 18 Ca -0.08 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.49 1j5c s PRO 18 Cb -0.12 -3.31 0.09 0.00 0.04 0.00 0.00 34.50 31.21 1j5c s PRO 18 CO -0.03 -0.07 1.62 0.77 0.04 0.00 0.00 177.00 179.33 1j5c h SER 19 N 5.79 -0.86 -3.14 6.66 0.02 -1.53 -3.40 113.55 117.09 1j5c h SER 19 Ca -0.43 0.17 -0.66 0.00 -0.84 0.00 0.00 61.79 60.03 1j5c h SER 19 Cb 1.21 0.43 -0.11 0.00 0.14 0.00 0.00 62.40 64.08 1j5c h SER 19 CO 0.76 -0.27 -0.59 -0.89 -1.14 0.00 0.00 176.83 174.70 1j5c s THR 20 N -6.08 4.64 0.25 -2.27 2.01 -1.26 -1.82 115.64 111.11 1j5c s THR 20 Ca -0.15 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 1j5c s THR 20 Cb 0.14 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1j5c s THR 20 CO 0.69 0.44 0.31 0.68 -0.69 0.00 0.00 174.62 176.05 1j5c s VAL 21 N -1.09 0.00 -0.05 3.82 -7.23 -1.24 -5.03 120.40 109.57 1j5c s VAL 21 Ca 0.19 -1.75 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1j5c s VAL 21 Cb -0.12 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1j5c s VAL 21 CO 0.10 0.00 -0.17 0.42 -0.31 0.00 0.00 175.10 175.14 1j5c s THR 22 N -3.91 2.82 0.02 5.32 -4.23 -1.26 -2.91 115.64 111.49 1j5c s THR 22 Ca 0.32 -0.81 -0.08 0.00 -1.18 0.00 0.00 61.69 59.95 1j5c s THR 22 Cb 0.03 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1j5c s THR 22 CO 0.13 0.58 0.16 -0.51 -0.54 0.00 0.00 174.62 174.44 1j5c s ILE 23 N -0.55 0.10 0.43 2.99 2.07 -0.42 -4.48 121.20 121.34 1j5c s ILE 23 Ca 0.08 -0.86 -0.03 0.00 -1.41 0.00 0.00 60.65 58.44 1j5c s ILE 23 Cb -0.11 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1j5c s ILE 23 CO 0.01 -0.47 0.69 -0.54 -1.91 0.00 0.00 174.94 172.72 1j5c s LYS 24 N -2.12 3.46 -0.44 3.50 1.02 -1.26 0.19 119.74 124.09 1j5c s LYS 24 Ca -0.09 -0.07 -0.29 0.00 0.02 0.00 0.00 55.97 55.55 1j5c s LYS 24 Cb -0.04 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1j5c s LYS 24 CO -0.02 -0.09 1.38 0.00 -0.92 0.00 0.00 175.35 175.71 1j5c s ALA 25 N -2.57 3.02 0.00 5.17 0.00 -1.26 -2.27 121.76 123.84 1j5c s ALA 25 Ca 0.45 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1j5c s ALA 25 Cb -0.10 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1j5c s ALA 25 CO 0.41 -2.47 0.00 0.41 0.00 0.00 0.00 175.76 174.11 1j5c n GLY 26 N 5.09 2.23 3.74 0.00 0.00 0.79 -4.99 105.19 112.05 1j5c n GLY 26 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1j5c n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5c s GLU 27 N -0.26 -0.73 0.38 1.61 8.01 -0.96 -4.73 118.70 122.03 1j5c s GLU 27 Ca 0.00 -0.34 0.04 0.00 0.01 0.00 0.00 54.97 54.68 1j5c s GLU 27 Cb 0.00 -1.68 -0.05 0.00 -4.31 0.00 0.00 34.13 28.09 1j5c s GLU 27 CO 0.00 -3.34 0.07 -1.83 0.01 0.00 0.00 175.26 170.17 1j5c s GLU 28 N -5.71 1.84 0.20 1.61 1.03 -1.26 -1.97 118.70 114.45 1j5c s GLU 28 Ca 0.74 -2.08 0.04 0.00 0.03 0.00 0.00 54.97 53.70 1j5c s GLU 28 Cb -0.05 -0.96 -0.05 0.00 -0.80 0.00 0.00 34.13 32.27 1j5c s GLU 28 CO 0.55 -0.29 -0.04 0.08 -1.33 0.00 0.00 175.26 174.23 1j5c s VAL 29 N -3.15 1.14 -0.05 1.83 1.01 0.27 -2.98 120.40 118.47 1j5c s VAL 29 Ca 0.28 -2.06 0.01 0.00 0.00 0.00 0.00 61.98 60.22 1j5c s VAL 29 Cb 0.06 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1j5c s VAL 29 CO 0.14 -0.47 -0.06 -0.75 0.00 0.00 0.00 175.10 173.95 1j5c s LYS 30 N -3.81 1.00 -0.32 2.72 2.20 -0.70 -2.31 119.74 118.52 1j5c s LYS 30 Ca 0.24 -0.18 0.04 0.00 -0.36 0.00 0.00 55.97 55.71 1j5c s LYS 30 Cb 0.04 -0.94 0.09 0.00 -1.51 0.00 0.00 37.83 35.51 1j5c s LYS 30 CO 0.06 -0.04 0.02 -1.58 -0.36 0.00 0.00 175.35 173.45 1j5c s TRP 31 N 0.79 3.56 -0.05 4.03 0.51 0.12 0.04 118.94 127.93 1j5c s TRP 31 Ca -0.12 -2.79 -0.20 0.00 -2.12 0.00 0.00 56.10 50.87 1j5c s TRP 31 Cb -0.14 -2.65 -0.05 0.00 -0.81 0.00 0.00 33.47 29.82 1j5c s TRP 31 CO 0.01 -0.93 0.56 0.08 -0.51 0.00 0.00 176.95 176.16 1j5c s VAL 32 N 0.98 5.03 0.07 4.03 1.01 -1.13 -1.21 120.40 129.19 1j5c s VAL 32 Ca 0.07 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1j5c s VAL 32 Cb -0.19 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1j5c s VAL 32 CO -0.08 0.37 1.08 0.21 0.00 0.00 0.00 175.10 176.68 1j5c s ASN 33 N 0.21 7.26 -0.00 3.32 2.47 -1.22 -0.68 114.94 126.30 1j5c s ASN 33 Ca 0.30 1.89 -0.02 0.00 0.42 0.00 0.00 52.86 55.45 1j5c s ASN 33 Cb -0.17 -2.58 -0.01 0.00 -1.45 0.00 0.00 41.25 37.04 1j5c s ASN 33 CO 0.15 -0.30 -0.03 -3.20 -3.72 0.00 0.00 177.10 170.00 1j5c n ASN 34 N 3.44 0.34 -0.66 -4.21 5.15 -1.23 -4.39 115.26 113.71 1j5c n ASN 34 Ca 0.06 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1j5c n ASN 34 Cb 0.48 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 -2.83 0.00 -2.77 1.20 4.76 -1.22 -4.82 118.16 112.48 1j5c n LYS 35 Ca -0.01 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.41 1j5c n LYS 35 Cb 0.05 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.24 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 -5.75 -4.39 -0.35 7.99 -1.26 -4.69 117.00 108.54 1j5c n LEU 36 Ca 0.00 -0.12 -0.20 0.00 -0.01 0.00 0.00 56.01 55.68 1j5c n LEU 36 Cb 0.00 -2.84 -0.10 0.00 -0.11 0.00 0.00 43.42 40.37 1j5c n LEU 36 CO 0.00 -0.79 -0.43 -0.44 -1.51 0.00 0.00 177.39 174.23 1j5c s SER 37 N -2.87 2.83 0.94 -1.43 0.01 -1.26 -4.33 113.70 107.60 1j5c s SER 37 Ca 0.05 -1.07 -0.13 0.00 1.31 0.00 0.00 55.95 56.11 1j5c s SER 37 Cb -0.01 -0.18 0.16 0.00 0.21 0.00 0.00 66.02 66.20 1j5c s SER 37 CO 0.60 -0.17 1.15 -2.16 0.41 0.00 0.00 173.24 173.07 1j5c s PRO 38 N -3.64 0.90 -0.30 12.44 0.04 -1.26 -4.97 135.00 138.21 1j5c s PRO 38 Ca 0.26 0.19 -0.18 0.00 0.04 0.00 0.00 61.00 61.31 1j5c s PRO 38 Cb -0.00 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.91 1j5c s PRO 38 CO 0.10 -2.34 1.23 -3.38 0.04 0.00 0.00 177.00 172.65 1j5c s HIS 39 N -3.32 -0.17 0.54 0.56 -3.43 -1.26 -4.58 115.29 103.63 1j5c s HIS 39 Ca 0.65 0.36 0.07 0.00 -0.80 0.00 0.00 55.06 55.34 1j5c s HIS 39 Cb -0.13 0.19 0.05 0.00 -1.43 0.00 0.00 32.58 31.25 1j5c s HIS 39 CO 0.53 -0.08 0.54 -0.80 -2.00 0.00 0.00 174.74 172.93 1j5c s ASN 40 N 0.88 4.87 -0.45 7.38 0.01 -1.26 -4.33 114.94 122.04 1j5c s ASN 40 Ca -0.05 -1.02 0.08 0.00 -0.71 0.00 0.00 52.86 51.16 1j5c s ASN 40 Cb -0.03 0.23 0.29 0.00 0.41 0.00 0.00 41.25 42.14 1j5c s ASN 40 CO -0.12 -1.12 0.67 -0.38 -1.51 0.00 0.00 177.10 174.64 1j5c n ILE 41 N -1.91 0.46 -2.70 0.60 5.41 -1.16 -4.60 119.36 115.46 1j5c n ILE 41 Ca 0.05 -4.58 -0.42 0.00 1.00 0.00 0.00 62.75 58.80 1j5c n ILE 41 Cb 0.63 -1.44 -0.03 0.00 -0.71 0.00 0.00 39.64 38.08 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 -2.16 4.78 -0.19 1.39 1.01 -1.08 -0.88 120.40 123.27 1j5c s VAL 42 Ca 0.39 2.03 -0.09 0.00 0.00 0.00 0.00 61.98 64.31 1j5c s VAL 42 Cb 0.23 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1j5c s VAL 42 CO -0.09 0.17 0.11 -0.36 0.00 0.00 0.00 175.10 174.94 1j5c s PHE 43 N 0.90 3.37 0.37 5.22 0.40 -1.26 -2.04 117.98 124.95 1j5c s PHE 43 Ca 0.52 0.27 -0.21 0.00 -0.60 0.00 0.00 56.93 56.91 1j5c s PHE 43 Cb -0.22 -2.11 -0.10 0.00 0.51 0.00 0.00 43.02 41.10 1j5c s PHE 43 CO 0.28 0.29 0.88 0.00 0.70 0.00 0.00 175.22 177.37 1j5c s ALA 44 N 0.24 3.17 -0.97 5.36 0.00 0.34 -4.67 121.76 125.22 1j5c s ALA 44 Ca 0.07 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1j5c s ALA 44 Cb -0.11 -3.05 0.24 0.00 0.00 0.00 0.00 23.12 20.20 1j5c s ALA 44 CO -0.01 0.20 0.90 0.00 0.00 0.00 0.00 175.76 176.85 1j5c n ALA 45 N -0.24 3.96 -0.40 0.00 0.00 -1.26 -4.05 120.51 118.51 1j5c n ALA 45 Ca 0.04 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 48.86 1j5c n ALA 45 Cb 0.53 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 2.39 0.00 -0.46 0.00 2.03 -1.26 -4.59 116.55 114.65 1j5c n ASP 46 Ca 0.23 0.06 0.10 0.00 0.52 0.00 0.00 54.79 55.70 1j5c n ASP 46 Cb 0.38 -0.30 0.41 0.00 -0.72 0.00 0.00 41.12 40.88 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 1.96 0.07 3.52 0.27 0.00 -1.26 -4.86 105.19 104.90 1j5c n GLY 47 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.83 2.23 0.93 1.61 1.01 -1.26 -4.85 120.40 118.24 1j5c s VAL 48 Ca 0.32 -2.23 -0.12 0.00 0.00 0.00 0.00 61.98 59.95 1j5c s VAL 48 Cb 0.17 -2.57 0.15 0.00 0.00 0.00 0.00 36.38 34.13 1j5c s VAL 48 CO 0.26 -0.25 1.09 -1.81 0.00 0.00 0.00 175.10 174.39 1j5c s ASP 49 N -3.58 3.15 0.00 3.32 1.01 -1.26 -4.75 116.67 114.57 1j5c s ASP 49 Ca 0.32 1.46 0.00 0.00 0.71 0.00 0.00 52.55 55.04 1j5c s ASP 49 Cb 0.01 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1j5c s ASP 49 CO 0.16 -2.84 0.31 0.00 0.21 0.00 0.00 175.17 173.01 1j5c n ALA 50 N -4.01 -0.15 -0.38 5.23 0.00 -1.26 -1.87 120.51 118.06 1j5c n ALA 50 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1j5c n ALA 50 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.64 -0.07 0.00 5.19 -1.97 0.74 116.42 118.67 1j5c h ASP 51 Ca 0.00 0.31 0.02 0.00 -0.62 0.00 0.00 57.03 56.75 1j5c h ASP 51 Cb 0.00 0.81 -0.05 0.00 0.18 0.00 0.00 39.33 40.26 1j5c h ASP 51 CO 0.00 -0.27 -0.49 0.74 -3.12 0.00 0.00 179.24 176.10 1j5c h THR 52 N -0.01 0.00 -0.10 0.35 2.02 -1.97 0.62 112.91 113.81 1j5c h THR 52 Ca 0.28 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.49 1j5c h THR 52 Cb 0.54 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1j5c h THR 52 CO -0.96 0.00 0.26 0.00 0.37 0.00 0.00 175.52 175.19 1j5c h ALA 53 N -0.47 1.50 0.00 6.16 0.00 -0.08 0.84 119.26 127.21 1j5c h ALA 53 Ca 0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1j5c h ALA 53 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1j5c h ALA 53 CO -0.36 -0.31 -0.48 0.00 0.00 0.00 0.00 179.25 178.09 1j5c h ALA 54 N 1.57 1.18 0.00 0.00 0.00 0.61 1.25 119.26 123.88 1j5c h ALA 54 Ca 0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1j5c h ALA 54 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j5c h ALA 54 CO -0.00 0.60 -1.04 -0.22 0.00 0.00 0.00 179.25 178.59 1j5c h LYS 55 N 0.00 0.00 0.00 0.00 3.64 0.16 -3.27 116.57 117.10 1j5c h LYS 55 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j5c h LYS 55 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1j5c h LYS 55 CO 0.06 0.16 -0.80 1.28 -2.27 0.00 0.00 179.45 177.88 1j5c n LEU 56 N -2.85 0.72 -4.81 5.20 4.77 -0.45 -4.76 117.00 114.83 1j5c n LEU 56 Ca -0.03 -0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.35 1j5c n LEU 56 Cb 0.68 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1j5c n LEU 56 CO 0.41 0.17 0.30 -0.55 -1.33 0.00 0.00 177.39 176.38 1j5c s SER 57 N -3.14 7.08 -0.42 -1.43 0.15 0.43 -4.50 113.70 111.87 1j5c s SER 57 Ca 0.09 1.30 -0.03 0.00 0.70 0.00 0.00 55.95 58.01 1j5c s SER 57 Cb 0.16 -2.37 0.11 0.00 -1.71 0.00 0.00 66.02 62.21 1j5c s SER 57 CO 0.79 0.24 0.22 -1.00 1.20 0.00 0.00 173.24 174.69 1j5c s HIS 58 N -1.17 3.58 0.40 3.44 3.76 -0.06 -4.82 115.29 120.42 1j5c s HIS 58 Ca 0.31 -2.46 0.24 0.00 -0.15 0.00 0.00 55.06 53.01 1j5c s HIS 58 Cb -0.19 -3.22 1.32 0.00 1.11 0.00 0.00 32.58 31.60 1j5c s HIS 58 CO 0.20 -0.96 1.63 0.87 -0.85 0.00 0.00 174.74 175.62 1j5c h LYS 59 N 7.96 0.13 0.00 1.40 1.57 -1.94 -2.84 116.57 122.86 1j5c h LYS 59 Ca -0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1j5c h LYS 59 Cb 1.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1j5c h LYS 59 CO 0.70 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 180.07 1j5c n GLY 60 N -1.41 3.51 1.23 3.86 0.00 -1.26 -4.74 105.19 106.37 1j5c n GLY 60 Ca 0.36 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 1j5c n GLY 60 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5c n LEU 61 N 0.00 -0.43 -4.65 0.99 7.94 -1.26 -5.02 117.00 114.57 1j5c n LEU 61 Ca 0.00 -1.19 -0.35 0.00 -1.11 0.00 0.00 56.01 53.37 1j5c n LEU 61 Cb 0.00 0.31 -0.10 0.00 0.53 0.00 0.00 43.42 44.16 1j5c n LEU 61 CO 0.00 1.03 -0.30 0.00 -1.11 0.00 0.00 177.39 177.01 1j5c s ALA 62 N 0.02 3.29 0.00 1.96 0.00 -1.26 -4.90 121.76 120.87 1j5c s ALA 62 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1j5c s ALA 62 Cb 0.07 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1j5c s ALA 62 CO -0.02 0.46 0.00 1.19 0.00 0.00 0.00 175.76 177.39 1j5c n PHE 63 N 2.59 -2.18 -3.25 0.00 3.72 -1.26 -4.11 117.46 112.96 1j5c n PHE 63 Ca -0.18 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.83 1j5c n PHE 63 Cb 0.53 0.47 -0.06 0.00 -0.94 0.00 0.00 39.48 39.48 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 -1.94 3.53 -1.10 4.37 0.00 -1.26 -4.95 121.76 120.41 1j5c s ALA 64 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 1j5c s ALA 64 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1j5c s ALA 64 CO 0.00 0.25 1.81 0.00 0.00 0.00 0.00 175.76 177.82 1j5c s ALA 65 N -0.50 2.25 0.00 0.00 0.00 -1.26 -3.02 121.76 119.23 1j5c s ALA 65 Ca 0.30 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1j5c s ALA 65 Cb -0.18 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.33 1j5c s ALA 65 CO 0.17 -4.42 0.00 0.41 0.00 0.00 0.00 175.76 171.92 1j5c n GLY 66 N 6.20 0.01 3.72 0.00 0.00 -1.26 -5.05 105.19 108.82 1j5c n GLY 66 Ca 0.42 -0.01 -0.41 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 -0.68 4.62 0.05 1.61 0.41 -1.17 -4.89 118.70 118.65 1j5c s GLU 67 Ca 0.00 1.52 0.05 0.00 -0.41 0.00 0.00 54.97 56.13 1j5c s GLU 67 Cb 0.00 -3.38 -0.02 0.00 -1.78 0.00 0.00 34.13 28.95 1j5c s GLU 67 CO 0.00 0.08 -0.15 -1.12 -0.49 0.00 0.00 175.26 173.58 1j5c s SER 68 N 0.31 1.82 0.39 -0.19 0.01 -1.26 -3.42 113.70 111.37 1j5c s SER 68 Ca 0.50 -0.50 0.08 0.00 1.31 0.00 0.00 55.95 57.34 1j5c s SER 68 Cb -0.24 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1j5c s SER 68 CO 0.30 0.04 0.51 -0.36 0.41 0.00 0.00 173.24 174.14 1j5c s PHE 69 N -0.91 2.88 0.00 2.43 0.08 -0.35 -4.89 117.98 117.22 1j5c s PHE 69 Ca 0.02 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 56.64 1j5c s PHE 69 Cb -0.08 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1j5c s PHE 69 CO 0.02 -0.26 0.15 0.99 -0.10 0.00 0.00 175.22 176.01 1j5c s THR 70 N -2.32 0.08 -0.01 0.64 2.01 -1.26 -0.70 115.64 114.08 1j5c s THR 70 Ca 0.51 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 1j5c s THR 70 Cb -0.09 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1j5c s THR 70 CO 0.32 -0.37 0.04 -0.55 -0.69 0.00 0.00 174.62 173.37 1j5c s SER 71 N -1.36 -0.01 -0.31 3.53 0.15 -0.98 -4.92 113.70 109.81 1j5c s SER 71 Ca -0.14 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 1j5c s SER 71 Cb -0.07 0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.38 1j5c s SER 71 CO 0.02 -0.05 0.01 -0.89 1.20 0.00 0.00 173.24 173.52 1j5c s THR 72 N -0.17 2.88 -0.71 6.45 2.01 -1.26 0.94 115.64 125.79 1j5c s THR 72 Ca -0.02 -1.51 -0.24 0.00 0.31 0.00 0.00 61.69 60.22 1j5c s THR 72 Cb -0.01 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.84 1j5c s THR 72 CO -0.00 -0.17 1.12 -0.36 -0.69 0.00 0.00 174.62 174.52 1j5c s PHE 73 N 1.21 2.50 -0.09 4.92 0.40 -0.83 -4.85 117.98 121.24 1j5c s PHE 73 Ca -0.04 -0.35 -0.25 0.00 -0.60 0.00 0.00 56.93 55.69 1j5c s PHE 73 Cb -0.20 -4.45 -0.28 0.00 0.51 0.00 0.00 43.02 38.60 1j5c s PHE 73 CO -0.02 -1.85 0.86 1.15 0.70 0.00 0.00 175.22 176.07 1j5c h THR 74 N 6.01 1.64 -3.37 0.64 2.02 -1.89 0.23 112.91 118.19 1j5c h THR 74 Ca -0.27 -2.37 -0.57 0.00 0.77 0.00 0.00 66.41 63.97 1j5c h THR 74 Cb 1.06 3.22 -0.07 0.00 -1.74 0.00 0.00 68.15 70.62 1j5c h THR 74 CO 1.23 0.64 0.10 -0.70 0.37 0.00 0.00 175.52 177.17 1j5c s GLU 75 N -2.44 4.34 -1.00 6.66 2.12 -1.26 -4.19 118.70 122.92 1j5c s GLU 75 Ca -0.16 0.76 -0.23 0.00 0.36 0.00 0.00 54.97 55.69 1j5c s GLU 75 Cb -0.01 -3.50 -0.00 0.00 0.26 0.00 0.00 34.13 30.88 1j5c s GLU 75 CO 0.76 -0.06 1.72 -1.25 -0.54 0.00 0.00 175.26 175.88 1j5c s PRO 76 N 1.27 3.09 0.00 4.30 0.04 -1.26 -4.80 135.00 137.64 1j5c s PRO 76 Ca 0.33 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1j5c s PRO 76 Cb -0.17 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1j5c s PRO 76 CO 0.14 -2.84 0.00 0.41 0.04 0.00 0.00 177.00 174.75 1j5c n GLY 77 N 6.71 5.62 2.60 0.56 0.00 -1.26 -4.95 105.19 114.48 1j5c n GLY 77 Ca 0.38 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 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 2.02 -0.16 0.41 2.61 2.01 -1.26 -2.76 115.64 118.50 1j5c s THR 78 Ca 0.00 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 1j5c s THR 78 Cb 0.00 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.46 1j5c s THR 78 CO 0.00 -0.63 0.86 -0.31 -0.69 0.00 0.00 174.62 173.85 1j5c s TYR 79 N 2.18 3.37 0.03 4.92 1.51 -1.20 -4.71 117.35 123.44 1j5c s TYR 79 Ca 0.09 1.39 0.04 0.00 -1.01 0.00 0.00 57.07 57.58 1j5c s TYR 79 Cb -0.15 -2.69 -0.02 0.00 -0.11 0.00 0.00 41.96 38.99 1j5c s TYR 79 CO -0.34 -0.09 -0.12 0.99 -1.11 0.00 0.00 175.55 174.87 1j5c s THR 80 N -2.22 0.98 0.09 -0.71 2.01 -1.26 -2.23 115.64 112.31 1j5c s THR 80 Ca 0.58 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 1j5c s THR 80 Cb -0.10 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.55 1j5c s THR 80 CO 0.20 0.04 0.31 -0.72 -0.69 0.00 0.00 174.62 173.76 1j5c s TYR 81 N -0.71 -0.07 0.31 4.92 1.13 -1.24 0.13 117.35 121.81 1j5c s TYR 81 Ca 0.01 -0.23 -0.12 0.00 -1.41 0.00 0.00 57.07 55.33 1j5c s TYR 81 Cb -0.07 0.12 0.05 0.00 -1.10 0.00 0.00 41.96 40.96 1j5c s TYR 81 CO 0.01 -0.60 0.63 2.48 -2.51 0.00 0.00 175.55 175.56 1j5c n TYR 82 N 0.05 -2.06 -3.89 -3.49 0.18 -0.86 -4.35 117.16 102.74 1j5c n TYR 82 Ca -0.16 -1.46 -0.30 0.00 1.88 0.00 0.00 57.90 57.85 1j5c n TYR 82 Cb 0.62 0.73 -0.14 0.00 -0.38 0.00 0.00 39.34 40.17 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1j5c h GLU 84 N 7.17 -0.17 0.00 0.00 5.08 -1.96 -3.36 114.58 121.35 1j5c h GLU 84 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1j5c h GLU 84 Cb 0.96 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1j5c h GLU 84 CO 0.56 -0.11 0.00 -0.35 -1.00 0.00 0.00 179.01 178.11 1j5c n PRO 85 N -5.35 0.00 0.00 2.33 -0.04 -1.26 -5.03 135.00 125.65 1j5c n PRO 85 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5c n PRO 85 Cb 0.26 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 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 -0.18 -1.46 -0.02 0.54 -0.00 -1.26 -4.25 115.22 108.59 1j5c n HIS 86 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 1j5c n HIS 86 Cb 0.00 0.19 -0.11 0.00 -0.12 0.00 0.00 29.99 29.95 1j5c n HIS 86 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1j5c h ARG 87 N 0.00 0.25 0.00 1.57 2.43 -1.91 -3.48 114.38 113.24 1j5c h ARG 87 Ca 0.00 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1j5c h ARG 87 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1j5c h ARG 87 CO 0.00 0.95 0.00 0.41 -1.51 0.00 0.00 179.97 179.82 1j5c n GLY 88 N 0.98 -0.30 0.67 2.80 0.00 -1.26 -5.10 105.19 102.98 1j5c n GLY 88 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.74 0.00 4.61 0.00 -1.26 -5.18 120.51 120.41 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 0.57 2.83 2.79 0.00 0.00 -1.26 -5.13 105.19 104.98 1j5c n GLY 90 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 1j5c n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1j5c s MET 91 N -2.00 0.24 0.15 1.61 1.75 -1.26 -3.01 119.30 116.78 1j5c s MET 91 Ca 0.00 0.23 0.07 0.00 -1.25 0.00 0.00 55.69 54.74 1j5c s MET 91 Cb 0.00 -0.98 -0.04 0.00 2.84 0.00 0.00 34.83 36.65 1j5c s MET 91 CO 0.00 -0.70 -0.01 0.14 -0.65 0.00 0.00 175.02 173.80 1j5c s VAL 92 N 2.38 3.76 0.00 10.11 -7.23 -1.26 -4.21 120.40 123.94 1j5c s VAL 92 Ca 0.09 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1j5c s VAL 92 Cb -0.15 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1j5c s VAL 92 CO -0.16 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1j5c n GLY 93 N 0.08 3.85 3.22 2.32 0.00 -1.26 -2.38 105.19 111.03 1j5c n GLY 93 Ca -0.10 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.50 1.08 0.17 1.61 -2.85 -0.75 -3.70 119.74 113.80 1j5c s LYS 94 Ca 0.00 -1.52 0.10 0.00 -1.00 0.00 0.00 55.97 53.54 1j5c s LYS 94 Cb 0.00 -0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.58 1j5c s LYS 94 CO 0.00 -0.17 -0.15 0.08 0.10 0.00 0.00 175.35 175.21 1j5c s VAL 95 N -3.75 2.89 -0.08 1.79 1.01 -0.94 -3.71 120.40 117.60 1j5c s VAL 95 Ca 0.24 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.48 1j5c s VAL 95 Cb 0.06 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1j5c s VAL 95 CO 0.04 -0.07 0.01 -0.69 0.00 0.00 0.00 175.10 174.39 1j5c s VAL 96 N -1.58 0.35 0.46 2.92 1.01 -1.15 -3.27 120.40 119.14 1j5c s VAL 96 Ca 0.22 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1j5c s VAL 96 Cb -0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1j5c s VAL 96 CO 0.13 0.20 0.74 -0.69 0.00 0.00 0.00 175.10 175.48 1j5c s VAL 97 N 1.98 4.90 0.00 2.92 1.01 -1.11 -1.30 120.40 128.80 1j5c s VAL 97 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1j5c s VAL 97 Cb -0.13 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1j5c s VAL 97 CO -0.05 -0.78 0.20 -0.67 0.00 0.00 0.00 175.10 173.80