#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 1.24 0.28 0.00 2.20 -1.26 -4.64 114.94 112.76 1j5c s ASN 2 Ca 0.00 -1.38 0.08 0.00 -0.94 0.00 0.00 52.86 50.62 1j5c s ASN 2 Cb 0.00 0.15 -0.04 0.00 -2.00 0.00 0.00 41.25 39.36 1j5c s ASN 2 CO 0.00 -0.72 0.16 0.00 -2.94 0.00 0.00 177.10 173.60 1j5c s ALA 3 N -3.73 3.53 0.00 3.54 0.00 -1.01 -4.99 121.76 119.09 1j5c s ALA 3 Ca 0.37 -1.57 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 1j5c s ALA 3 Cb 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1j5c s ALA 3 CO 0.13 0.18 0.15 -0.08 0.00 0.00 0.00 175.76 176.14 1j5c s THR 4 N -2.24 0.08 -0.03 0.00 -1.32 -1.26 0.52 115.64 111.39 1j5c s THR 4 Ca 0.35 -0.69 -0.01 0.00 -1.21 0.00 0.00 61.69 60.13 1j5c s THR 4 Cb -0.06 -0.45 0.03 0.00 -1.51 0.00 0.00 72.50 70.50 1j5c s THR 4 CO 0.24 -0.38 0.03 -0.69 -2.21 0.00 0.00 174.62 171.61 1j5c s VAL 5 N -1.41 0.04 -0.21 5.08 1.01 -0.25 -4.79 120.40 119.86 1j5c s VAL 5 Ca -0.15 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1j5c s VAL 5 Cb -0.07 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.11 1j5c s VAL 5 CO 0.02 0.15 1.03 -1.59 0.00 0.00 0.00 175.10 174.70 1j5c s LYS 6 N 1.49 4.28 -0.36 2.72 -2.85 -1.23 -2.29 119.74 121.49 1j5c s LYS 6 Ca -0.04 1.35 -0.27 0.00 -1.00 0.00 0.00 55.97 56.01 1j5c s LYS 6 Cb -0.13 -3.63 -0.05 0.00 -2.06 0.00 0.00 37.83 31.97 1j5c s LYS 6 CO -0.03 -0.58 2.20 -1.64 0.10 0.00 0.00 175.35 175.40 1j5c s MET 7 N 3.01 2.75 0.06 1.78 -1.94 0.59 -3.93 119.30 121.62 1j5c s MET 7 Ca 0.44 1.60 0.00 0.00 -1.71 0.00 0.00 55.69 56.03 1j5c s MET 7 Cb -0.15 -4.43 0.00 0.00 2.01 0.00 0.00 34.83 32.26 1j5c s MET 7 CO 0.08 -2.55 0.00 0.41 -0.01 0.00 0.00 175.02 172.95 1j5c n GLY 8 N 5.80 0.95 3.11 -0.03 0.00 -1.24 -2.89 105.19 110.89 1j5c n GLY 8 Ca 0.30 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 0.09 0.09 1.61 0.01 -1.22 -3.46 113.70 106.81 1j5c s SER 9 Ca 0.00 -0.34 -0.31 0.00 1.31 0.00 0.00 55.95 56.61 1j5c s SER 9 Cb 0.00 0.21 -0.15 0.00 0.21 0.00 0.00 66.02 66.29 1j5c s SER 9 CO 0.00 -0.43 1.62 -0.78 0.41 0.00 0.00 173.24 174.07 1j5c h ASP 10 N 4.03 -0.83 -0.53 2.44 3.58 -1.94 -2.70 116.42 120.48 1j5c h ASP 10 Ca -0.31 0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.30 1j5c h ASP 10 Cb 1.19 0.26 -0.11 0.00 1.72 0.00 0.00 39.33 42.40 1j5c h ASP 10 CO 0.44 -0.48 -0.24 -1.28 -2.88 0.00 0.00 179.24 174.80 1j5c h SER 11 N -0.74 -0.83 0.00 2.28 0.87 -2.04 -3.45 113.55 109.64 1j5c h SER 11 Ca -0.04 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1j5c h SER 11 Cb 0.63 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1j5c h SER 11 CO 0.01 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 1j5c n GLY 12 N -1.42 -0.11 1.61 5.77 0.00 -1.02 -5.18 105.19 104.83 1j5c n GLY 12 Ca 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 0.22 -0.04 4.61 0.00 -1.24 -4.93 120.51 119.13 1j5c n ALA 13 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 53.44 52.35 1j5c n ALA 13 Cb 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1j5c n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j5c n LEU 14 N 0.00 0.84 -4.40 0.00 7.99 -1.26 -3.41 117.00 116.76 1j5c n LEU 14 Ca -0.07 0.14 -0.48 0.00 -0.01 0.00 0.00 56.01 55.58 1j5c n LEU 14 Cb 0.29 -0.33 -0.03 0.00 -0.11 0.00 0.00 43.42 43.24 1j5c n LEU 14 CO 0.15 0.02 0.01 1.33 -1.51 0.00 0.00 177.39 177.39 1j5c n VAL 15 N -3.52 1.96 -2.77 4.08 0.24 -1.25 -3.63 118.33 113.44 1j5c n VAL 15 Ca -0.16 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.23 1j5c n VAL 15 Cb 0.53 -0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.98 3.47 -0.07 6.34 0.08 -1.26 -3.97 117.98 121.59 1j5c s PHE 16 Ca 0.64 1.46 0.01 0.00 0.12 0.00 0.00 56.93 59.17 1j5c s PHE 16 Cb -0.93 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 38.41 1j5c s PHE 16 CO 0.56 -0.23 -0.09 -2.00 -0.10 0.00 0.00 175.22 173.36 1j5c s GLU 17 N 2.08 1.45 0.22 0.44 2.12 -1.22 0.09 118.70 123.87 1j5c s GLU 17 Ca 0.44 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.18 1j5c s GLU 17 Cb -0.17 -1.32 -0.08 0.00 0.26 0.00 0.00 34.13 32.82 1j5c s GLU 17 CO 0.15 -0.07 1.10 -1.25 -0.54 0.00 0.00 175.26 174.66 1j5c s PRO 18 N 0.99 4.61 0.20 4.30 0.04 -1.26 -3.56 135.00 140.32 1j5c s PRO 18 Ca -0.09 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 1j5c s PRO 18 Cb -0.15 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 31.29 1j5c s PRO 18 CO 0.00 0.12 1.82 0.66 0.04 0.00 0.00 177.00 179.64 1j5c h SER 19 N 4.63 0.93 -4.08 6.66 4.64 -0.72 -3.42 113.55 122.19 1j5c h SER 19 Ca -0.45 -0.10 -0.69 0.00 -0.47 0.00 0.00 61.79 60.08 1j5c h SER 19 Cb 1.21 -0.24 -0.27 0.00 -0.31 0.00 0.00 62.40 62.79 1j5c h SER 19 CO 0.70 0.77 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.72 1j5c s THR 20 N -5.83 2.62 0.05 2.95 2.01 -1.26 -2.01 115.64 114.17 1j5c s THR 20 Ca -0.13 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 1j5c s THR 20 Cb 0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1j5c s THR 20 CO 0.80 0.58 -0.00 0.68 -0.69 0.00 0.00 174.62 175.99 1j5c s VAL 21 N -0.46 0.20 -0.06 3.82 -7.23 -1.24 -5.05 120.40 110.38 1j5c s VAL 21 Ca 0.05 -1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 1j5c s VAL 21 Cb -0.12 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 1j5c s VAL 21 CO 0.01 -0.92 0.31 0.42 -0.31 0.00 0.00 175.10 174.61 1j5c s THR 22 N -3.75 5.22 0.07 5.32 -4.23 -1.26 -2.84 115.64 114.17 1j5c s THR 22 Ca 0.05 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1j5c s THR 22 Cb 0.06 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 1j5c s THR 22 CO -0.10 0.56 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.99 1j5c s ILE 23 N -0.83 0.48 0.18 2.99 -1.16 0.22 -4.78 121.20 118.30 1j5c s ILE 23 Ca 0.20 -1.72 0.05 0.00 -0.51 0.00 0.00 60.65 58.66 1j5c s ILE 23 Cb -0.15 -1.41 -0.04 0.00 0.61 0.00 0.00 42.46 41.48 1j5c s ILE 23 CO 0.09 -0.83 0.18 -0.54 -2.81 0.00 0.00 174.94 171.03 1j5c s LYS 24 N -3.44 3.03 -0.85 3.50 -0.14 -1.26 -0.76 119.74 119.82 1j5c s LYS 24 Ca 0.06 -0.85 -0.25 0.00 -1.36 0.00 0.00 55.97 53.57 1j5c s LYS 24 Cb 0.03 -2.70 -0.01 0.00 -1.68 0.00 0.00 37.83 33.47 1j5c s LYS 24 CO -0.06 0.47 1.76 0.00 -0.76 0.00 0.00 175.35 176.76 1j5c s ALA 25 N -1.83 2.11 0.00 5.17 0.00 -1.26 -2.03 121.76 123.91 1j5c s ALA 25 Ca 0.32 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1j5c s ALA 25 Cb -0.10 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1j5c s ALA 25 CO 0.25 -4.21 0.00 0.41 0.00 0.00 0.00 175.76 172.21 1j5c n GLY 26 N 6.46 1.27 3.48 0.00 0.00 0.51 -4.90 105.19 112.00 1j5c n GLY 26 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.21 -4.39 1.61 1.02 -0.86 -4.54 120.64 111.27 1j5c n GLU 27 Ca 0.00 -1.80 -0.22 0.00 -0.02 0.00 0.00 57.16 55.12 1j5c n GLU 27 Cb 0.00 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1j5c s GLU 28 N -5.55 1.82 0.23 3.49 -1.05 -1.25 0.32 118.70 116.70 1j5c s GLU 28 Ca 0.69 -2.08 0.05 0.00 -0.15 0.00 0.00 54.97 53.48 1j5c s GLU 28 Cb -0.04 -0.11 -0.05 0.00 -0.44 0.00 0.00 34.13 33.48 1j5c s GLU 28 CO 0.51 -0.56 -0.05 0.08 0.95 0.00 0.00 175.26 176.18 1j5c s VAL 29 N -3.36 1.30 -0.17 1.83 1.01 0.17 -2.41 120.40 118.77 1j5c s VAL 29 Ca 0.32 -2.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.21 1j5c s VAL 29 Cb 0.02 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1j5c s VAL 29 CO 0.21 -0.43 -0.03 -0.75 0.00 0.00 0.00 175.10 174.11 1j5c s LYS 30 N -3.78 1.17 -0.56 2.72 2.20 0.19 -2.30 119.74 119.37 1j5c s LYS 30 Ca 0.26 -0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 55.23 1j5c s LYS 30 Cb 0.04 -1.98 0.13 0.00 -1.51 0.00 0.00 37.83 34.51 1j5c s LYS 30 CO 0.08 -0.48 0.55 -1.58 -0.36 0.00 0.00 175.35 173.55 1j5c s TRP 31 N 1.70 3.22 0.14 4.03 0.51 -0.94 -1.09 118.94 126.52 1j5c s TRP 31 Ca 0.00 -1.25 -0.17 0.00 -2.12 0.00 0.00 56.10 52.56 1j5c s TRP 31 Cb -0.16 -3.84 -0.07 0.00 -0.81 0.00 0.00 33.47 28.59 1j5c s TRP 31 CO -0.07 -1.07 0.60 0.08 -0.51 0.00 0.00 176.95 175.98 1j5c s VAL 32 N 1.75 4.75 -0.09 4.03 1.01 -0.97 -2.91 120.40 127.98 1j5c s VAL 32 Ca 0.05 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 1j5c s VAL 32 Cb -0.28 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1j5c s VAL 32 CO 0.03 0.33 0.93 0.20 0.00 0.00 0.00 175.10 176.59 1j5c s ASN 33 N -1.52 7.19 -0.21 3.32 -0.87 -1.26 -0.30 114.94 121.29 1j5c s ASN 33 Ca 0.36 1.45 -0.16 0.00 -1.57 0.00 0.00 52.86 52.94 1j5c s ASN 33 Cb -0.17 -2.52 -0.08 0.00 -0.02 0.00 0.00 41.25 38.46 1j5c s ASN 33 CO 0.20 -0.35 -0.35 -3.20 -2.57 0.00 0.00 177.10 170.83 1j5c n ASN 34 N 4.61 1.92 -1.23 -1.22 5.15 -1.14 -4.53 115.26 118.82 1j5c n ASN 34 Ca 0.06 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.37 1j5c n ASN 34 Cb 0.50 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 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 -4.37 0.01 -2.61 1.20 4.81 -1.19 -4.88 118.16 111.13 1j5c n LYS 35 Ca -0.27 -0.06 -0.00 0.00 -0.87 0.00 0.00 58.31 57.11 1j5c n LYS 35 Cb 0.63 0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.78 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j5c n LEU 36 N 0.00 -5.44 -4.88 3.14 7.99 -1.26 -4.74 117.00 111.81 1j5c n LEU 36 Ca 0.00 -0.05 -0.32 0.00 -0.01 0.00 0.00 56.01 55.63 1j5c n LEU 36 Cb 0.05 -2.66 -0.05 0.00 -0.11 0.00 0.00 43.42 40.65 1j5c n LEU 36 CO 0.01 -0.81 0.15 -0.94 -1.51 0.00 0.00 177.39 174.29 1j5c s SER 37 N -2.71 6.59 0.73 -1.43 1.04 -1.26 -4.20 113.70 112.46 1j5c s SER 37 Ca 0.00 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1j5c s SER 37 Cb -0.00 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1j5c s SER 37 CO 0.54 -0.01 0.00 -0.81 0.98 0.00 0.00 173.24 173.93 1j5c n PRO 38 N 0.03 -0.11 -3.18 4.02 -0.04 -1.26 -5.04 135.00 129.42 1j5c n PRO 38 Ca -0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1j5c n PRO 38 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.73 -0.73 0.15 0.54 3.76 -0.20 -4.87 115.29 113.21 1j5c s HIS 39 Ca 0.00 0.84 0.08 0.00 -0.15 0.00 0.00 55.06 55.83 1j5c s HIS 39 Cb 0.00 0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.93 1j5c s HIS 39 CO 0.00 -0.39 -0.10 -0.80 -0.85 0.00 0.00 174.74 172.59 1j5c s ASN 40 N 2.86 4.28 -0.63 1.40 -0.87 -1.26 -2.99 114.94 117.73 1j5c s ASN 40 Ca 0.03 -0.50 0.06 0.00 -1.57 0.00 0.00 52.86 50.87 1j5c s ASN 40 Cb -0.10 -0.75 0.25 0.00 -0.02 0.00 0.00 41.25 40.62 1j5c s ASN 40 CO -0.14 0.14 0.72 -0.38 -2.57 0.00 0.00 177.10 174.87 1j5c n ILE 41 N 0.35 2.12 -2.84 0.60 5.41 -1.26 -3.92 119.36 119.82 1j5c n ILE 41 Ca -0.12 -5.12 -0.41 0.00 1.00 0.00 0.00 62.75 58.09 1j5c n ILE 41 Cb 0.54 -2.09 -0.04 0.00 -0.71 0.00 0.00 39.64 37.34 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 -2.34 4.93 -0.21 1.39 1.01 -0.93 -1.58 120.40 122.66 1j5c s VAL 42 Ca 0.39 1.80 -0.09 0.00 0.00 0.00 0.00 61.98 64.08 1j5c s VAL 42 Cb 0.14 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1j5c s VAL 42 CO -0.03 0.17 0.10 -0.36 0.00 0.00 0.00 175.10 174.99 1j5c s PHE 43 N 1.11 3.25 0.39 5.22 0.40 -1.26 -0.75 117.98 126.35 1j5c s PHE 43 Ca 0.45 0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.74 1j5c s PHE 43 Cb -0.19 -2.18 -0.07 0.00 0.51 0.00 0.00 43.02 41.09 1j5c s PHE 43 CO 0.22 0.05 0.75 0.00 0.70 0.00 0.00 175.22 176.95 1j5c s ALA 44 N 0.82 3.36 -1.08 5.36 0.00 0.17 -4.60 121.76 125.79 1j5c s ALA 44 Ca 0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 1j5c s ALA 44 Cb -0.13 -2.69 0.27 0.00 0.00 0.00 0.00 23.12 20.57 1j5c s ALA 44 CO 0.02 0.04 1.07 0.00 0.00 0.00 0.00 175.76 176.89 1j5c n ALA 45 N -1.18 4.20 -0.04 0.00 0.00 -1.26 -4.08 120.51 118.15 1j5c n ALA 45 Ca 0.02 -4.66 -0.04 0.00 0.00 0.00 0.00 53.44 48.76 1j5c n ALA 45 Cb 0.54 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 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 2.55 0.80 -1.25 0.00 -0.08 -1.26 -4.64 116.55 112.66 1j5c n ASP 46 Ca 0.24 0.14 0.11 0.00 -1.51 0.00 0.00 54.79 53.77 1j5c n ASP 46 Cb 0.38 -0.60 0.29 0.00 2.34 0.00 0.00 41.12 43.54 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j5c n GLY 47 N 1.50 2.14 3.26 0.27 0.00 -1.26 -4.92 105.19 106.17 1j5c n GLY 47 Ca -0.06 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.16 1.20 0.91 1.61 1.01 -1.26 -4.55 120.40 118.16 1j5c s VAL 48 Ca 0.45 -2.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.25 1j5c s VAL 48 Cb 0.24 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.86 1j5c s VAL 48 CO 0.32 -0.72 0.97 0.47 0.00 0.00 0.00 175.10 176.14 1j5c n ASP 49 N -0.22 -0.17 0.06 3.32 8.00 -1.26 -4.66 116.55 121.62 1j5c n ASP 49 Ca -0.10 0.42 -0.12 0.00 0.71 0.00 0.00 54.79 55.70 1j5c n ASP 49 Cb 0.61 -1.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.21 1j5c n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5c h ALA 50 N -1.70 -0.19 0.45 2.24 0.00 -1.98 -1.69 119.26 116.39 1j5c h ALA 50 Ca -0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1j5c h ALA 50 Cb 1.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1j5c h ALA 50 CO 0.40 -0.36 -0.42 -0.44 0.00 0.00 0.00 179.25 178.43 1j5c h ASP 51 N -0.68 -1.13 -0.76 0.00 5.19 -1.98 0.19 116.42 117.26 1j5c h ASP 51 Ca -0.02 0.09 0.14 0.00 -0.62 0.00 0.00 57.03 56.61 1j5c h ASP 51 Cb 0.50 0.37 -0.14 0.00 0.18 0.00 0.00 39.33 40.24 1j5c h ASP 51 CO 0.03 -0.56 -0.30 0.74 -3.12 0.00 0.00 179.24 176.03 1j5c h THR 52 N -0.86 0.14 -0.77 0.35 2.02 -1.95 1.25 112.91 113.10 1j5c h THR 52 Ca -0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1j5c h THR 52 Cb 0.73 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1j5c h THR 52 CO -0.03 0.00 0.51 0.00 0.37 0.00 0.00 175.52 176.36 1j5c h ALA 53 N 1.38 1.73 0.00 6.16 0.00 -0.93 0.71 119.26 128.31 1j5c h ALA 53 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1j5c h ALA 53 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j5c h ALA 53 CO -0.80 0.12 0.00 0.00 0.00 0.00 0.00 179.25 178.57 1j5c h ALA 54 N 1.60 1.00 0.14 0.00 0.00 0.46 1.49 119.26 123.95 1j5c h ALA 54 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.93 1j5c h ALA 54 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j5c h ALA 54 CO -0.13 0.00 -1.72 -0.22 0.00 0.00 0.00 179.25 177.18 1j5c h LYS 55 N 0.00 0.29 0.00 0.00 3.64 0.22 -3.32 116.57 117.40 1j5c h LYS 55 Ca 0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1j5c h LYS 55 Cb 0.32 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1j5c h LYS 55 CO 0.00 1.24 -0.16 1.28 -2.27 0.00 0.00 179.45 179.54 1j5c n LEU 56 N -3.69 0.76 -4.77 5.20 4.77 0.03 -4.83 117.00 114.47 1j5c n LEU 56 Ca -0.28 0.48 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 1j5c n LEU 56 Cb 1.00 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1j5c n LEU 56 CO 0.44 -0.14 0.75 -0.55 -1.33 0.00 0.00 177.39 176.56 1j5c s SER 57 N -4.39 6.95 -0.42 -1.43 0.15 0.50 -4.56 113.70 110.50 1j5c s SER 57 Ca 0.10 2.12 -0.02 0.00 0.70 0.00 0.00 55.95 58.84 1j5c s SER 57 Cb 0.13 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.95 1j5c s SER 57 CO 0.63 -0.36 0.20 -1.00 1.20 0.00 0.00 173.24 173.91 1j5c s HIS 58 N -1.47 3.60 -0.61 3.44 3.76 -0.62 -4.84 115.29 118.55 1j5c s HIS 58 Ca 0.53 -2.53 -0.02 0.00 -0.15 0.00 0.00 55.06 52.89 1j5c s HIS 58 Cb -0.26 -3.18 0.40 0.00 1.11 0.00 0.00 32.58 30.65 1j5c s HIS 58 CO 0.32 -0.96 2.04 1.17 -0.85 0.00 0.00 174.74 176.47 1j5c n LYS 59 N 4.45 2.53 0.00 1.40 4.81 -1.26 -3.79 118.16 126.30 1j5c n LYS 59 Ca -0.01 -2.98 0.00 0.00 -0.87 0.00 0.00 58.31 54.45 1j5c n LYS 59 Cb 0.41 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j5c n GLY 60 N -0.65 1.38 3.26 3.14 0.00 -1.26 -5.15 105.19 105.90 1j5c n GLY 60 Ca 0.56 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.09 1j5c n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j5c s LEU 61 N 0.00 -0.32 0.11 0.99 2.96 -1.26 -4.97 118.68 116.18 1j5c s LEU 61 Ca 0.00 0.39 0.10 0.00 -0.22 0.00 0.00 54.13 54.40 1j5c s LEU 61 Cb 0.00 1.35 -0.04 0.00 0.50 0.00 0.00 46.19 48.00 1j5c s LEU 61 CO 0.00 -0.06 -0.24 0.00 -1.32 0.00 0.00 176.35 174.73 1j5c s ALA 62 N 2.38 2.45 0.00 5.97 0.00 -1.16 -4.97 121.76 126.44 1j5c s ALA 62 Ca -0.01 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1j5c s ALA 62 Cb -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1j5c s ALA 62 CO -0.16 0.56 0.00 1.97 0.00 0.00 0.00 175.76 178.13 1j5c n PHE 63 N 1.07 -0.60 -2.91 0.00 -1.74 -1.26 -1.03 117.46 110.99 1j5c n PHE 63 Ca -0.17 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.30 1j5c n PHE 63 Cb 0.53 0.12 -0.05 0.00 1.52 0.00 0.00 39.48 41.60 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 -1.28 3.52 -0.51 1.98 0.00 -1.26 -4.70 121.76 119.51 1j5c s ALA 64 Ca 0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 51.96 51.25 1j5c s ALA 64 Cb 0.00 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1j5c s ALA 64 CO 0.00 -1.24 2.35 0.00 0.00 0.00 0.00 175.76 176.87 1j5c n ALA 65 N 6.28 0.87 0.00 0.00 0.00 -1.26 -2.27 120.51 124.13 1j5c n ALA 65 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1j5c n ALA 65 Cb 0.48 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 6.38 2.17 3.51 0.00 0.00 -1.26 -5.06 105.19 110.93 1j5c n GLY 66 Ca 0.45 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 3.16 0.05 1.61 2.02 -0.96 -4.96 118.70 119.63 1j5c s GLU 67 Ca 0.00 -0.48 0.08 0.00 0.02 0.00 0.00 54.97 54.58 1j5c s GLU 67 Cb 0.00 -4.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.00 1j5c s GLU 67 CO 0.00 -1.99 -0.20 -1.12 0.02 0.00 0.00 175.26 171.97 1j5c s SER 68 N 3.69 3.71 0.49 -0.19 0.01 -1.26 -4.42 113.70 115.73 1j5c s SER 68 Ca 0.30 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 57.16 1j5c s SER 68 Cb -0.12 -0.54 0.03 0.00 0.21 0.00 0.00 66.02 65.60 1j5c s SER 68 CO 0.13 0.24 0.53 -0.36 0.41 0.00 0.00 173.24 174.20 1j5c s PHE 69 N -0.94 2.08 -0.01 2.43 0.08 -1.14 -4.95 117.98 115.53 1j5c s PHE 69 Ca 0.15 -0.63 -0.08 0.00 0.12 0.00 0.00 56.93 56.48 1j5c s PHE 69 Cb -0.10 -2.15 0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1j5c s PHE 69 CO 0.05 -0.55 0.17 0.99 -0.10 0.00 0.00 175.22 175.78 1j5c s THR 70 N -2.58 0.07 -0.04 0.64 2.01 -1.26 -2.20 115.64 112.27 1j5c s THR 70 Ca 0.50 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 1j5c s THR 70 Cb -0.05 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1j5c s THR 70 CO 0.30 -0.32 0.11 -0.94 -0.69 0.00 0.00 174.62 173.08 1j5c s SER 71 N -1.22 -0.11 -0.19 3.53 1.04 -0.97 -4.95 113.70 110.83 1j5c s SER 71 Ca -0.13 0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 1j5c s SER 71 Cb -0.07 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1j5c s SER 71 CO 0.02 -0.05 0.01 -0.89 0.98 0.00 0.00 173.24 173.30 1j5c s THR 72 N 0.23 4.05 -0.65 2.02 2.01 -1.26 0.45 115.64 122.48 1j5c s THR 72 Ca -0.01 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 1j5c s THR 72 Cb -0.02 -2.83 0.11 0.00 0.01 0.00 0.00 72.50 69.77 1j5c s THR 72 CO -0.01 0.44 0.79 -0.36 -0.69 0.00 0.00 174.62 174.79 1j5c s PHE 73 N 0.88 3.02 -0.19 4.92 0.40 0.15 -4.83 117.98 122.32 1j5c s PHE 73 Ca 0.01 -1.03 0.20 0.00 -0.60 0.00 0.00 56.93 55.52 1j5c s PHE 73 Cb -0.14 -4.07 -0.04 0.00 0.51 0.00 0.00 43.02 39.27 1j5c s PHE 73 CO 0.02 -1.35 0.98 1.15 0.70 0.00 0.00 175.22 176.72 1j5c h THR 74 N 5.84 0.19 -3.59 0.64 2.02 -1.86 1.48 112.91 117.64 1j5c h THR 74 Ca -0.22 -1.38 -0.63 0.00 0.77 0.00 0.00 66.41 64.95 1j5c h THR 74 Cb 1.07 1.71 -0.18 0.00 -1.74 0.00 0.00 68.15 69.02 1j5c h THR 74 CO 1.09 0.11 -0.57 -0.70 0.37 0.00 0.00 175.52 175.82 1j5c s GLU 75 N -3.19 3.87 -1.17 6.66 2.12 -1.26 -4.58 118.70 121.15 1j5c s GLU 75 Ca -0.01 -0.37 -0.21 0.00 0.36 0.00 0.00 54.97 54.73 1j5c s GLU 75 Cb 0.09 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 1j5c s GLU 75 CO 0.80 -0.01 1.79 -1.25 -0.54 0.00 0.00 175.26 176.05 1j5c s PRO 76 N 1.20 3.21 0.00 4.30 0.04 -1.26 -4.80 135.00 137.68 1j5c s PRO 76 Ca 0.06 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.75 1j5c s PRO 76 Cb -0.14 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.05 1j5c s PRO 76 CO 0.04 -3.02 0.00 0.41 0.04 0.00 0.00 177.00 174.47 1j5c n GLY 77 N 5.95 5.25 2.77 0.56 0.00 -1.26 -4.95 105.19 113.52 1j5c n GLY 77 Ca 0.44 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 0.54 1.07 0.38 2.61 2.01 -1.26 -2.47 115.64 118.52 1j5c s THR 78 Ca 0.00 -1.55 -0.23 0.00 0.31 0.00 0.00 61.69 60.21 1j5c s THR 78 Cb 0.00 -1.81 -0.10 0.00 0.01 0.00 0.00 72.50 70.60 1j5c s THR 78 CO 0.00 -0.67 0.94 -0.31 -0.69 0.00 0.00 174.62 173.89 1j5c s TYR 79 N 1.49 3.50 0.06 4.92 1.51 -1.17 -4.46 117.35 123.20 1j5c s TYR 79 Ca 0.10 1.69 0.06 0.00 -1.01 0.00 0.00 57.07 57.91 1j5c s TYR 79 Cb -0.18 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.76 1j5c s TYR 79 CO -0.22 0.05 -0.16 0.99 -1.11 0.00 0.00 175.55 175.09 1j5c s THR 80 N -1.91 1.31 0.34 -0.71 2.01 -1.26 -2.14 115.64 113.29 1j5c s THR 80 Ca 0.56 -1.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 1j5c s THR 80 Cb -0.14 -1.20 0.04 0.00 0.01 0.00 0.00 72.50 71.21 1j5c s THR 80 CO 0.18 -0.06 0.76 -0.72 -0.69 0.00 0.00 174.62 174.10 1j5c s TYR 81 N -1.05 -0.02 0.00 4.92 -0.85 -1.24 0.44 117.35 119.56 1j5c s TYR 81 Ca 0.02 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 56.00 1j5c s TYR 81 Cb -0.09 0.78 0.00 0.00 0.38 0.00 0.00 41.96 43.03 1j5c s TYR 81 CO 0.02 -1.43 0.00 2.48 -1.52 0.00 0.00 175.55 175.11 1j5c n TYR 82 N -0.50 -0.72 -3.66 -3.49 0.18 0.08 -4.34 117.16 104.70 1j5c n TYR 82 Ca -0.06 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.32 1j5c n TYR 82 Cb 0.60 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.45 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 8.32 -0.23 -7.52 0.00 4.57 -1.93 -3.45 114.58 114.35 1j5c h GLU 84 Ca -0.23 0.02 -0.45 0.00 -1.18 0.00 0.00 59.36 57.52 1j5c h GLU 84 Cb 1.08 0.05 0.14 0.00 -0.16 0.00 0.00 28.75 29.86 1j5c h GLU 84 CO 0.69 0.01 0.30 -1.25 -1.18 0.00 0.00 179.01 177.58 1j5c s PRO 85 N -5.32 0.86 -0.00 0.92 0.04 -1.26 -4.77 135.00 125.47 1j5c s PRO 85 Ca -0.15 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.06 1j5c s PRO 85 Cb 0.04 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1j5c s PRO 85 CO 0.63 -2.37 0.02 -2.39 0.04 0.00 0.00 177.00 172.93 1j5c n HIS 86 N -3.86 -4.12 -2.62 0.56 1.44 -1.26 -4.89 115.22 100.46 1j5c n HIS 86 Ca 0.08 2.45 -0.13 0.00 -2.01 0.00 0.00 57.72 58.11 1j5c n HIS 86 Cb 0.59 -3.44 0.06 0.00 0.12 0.00 0.00 29.99 27.32 1j5c n HIS 86 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1j5c n ARG 87 N 1.88 0.35 -3.68 -1.40 1.74 -1.26 -4.67 116.66 109.62 1j5c n ARG 87 Ca -0.04 -1.68 -0.29 0.00 -0.77 0.00 0.00 57.85 55.06 1j5c n ARG 87 Cb 0.06 -0.32 0.04 0.00 -1.02 0.00 0.00 32.46 31.22 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j5c n GLY 88 N 0.55 -0.89 0.00 -0.13 0.00 -1.26 -4.95 105.19 98.52 1j5c n GLY 88 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.15 0.00 -2.18 4.61 0.00 -1.26 -5.14 120.51 112.39 1j5c n ALA 89 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 1j5c n ALA 89 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 1j5c n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j5c s GLY 90 N 0.00 2.54 0.00 0.00 0.00 -1.26 -4.95 107.32 103.64 1j5c s GLY 90 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1j5c s GLY 90 CO 0.00 0.38 0.00 1.03 0.00 0.00 0.00 173.10 174.51 1j5c n MET 91 N 0.62 0.00 0.00 2.90 2.81 -1.26 -3.86 117.12 118.34 1j5c n MET 91 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1j5c n MET 91 Cb 0.51 -0.57 0.00 0.00 -0.71 0.00 0.00 33.22 32.46 1j5c n MET 91 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j5c n VAL 92 N -2.75 0.00 -1.81 2.03 0.31 -1.26 -4.14 118.33 110.70 1j5c n VAL 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j5c n VAL 92 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j5c n GLY 93 N 0.00 -4.98 3.15 2.92 0.00 -1.26 -4.02 105.19 101.00 1j5c n GLY 93 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1j5c n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5c s LYS 94 N -2.51 0.81 0.18 1.61 1.02 -0.85 -3.60 119.74 116.40 1j5c s LYS 94 Ca 0.00 -1.28 0.10 0.00 0.02 0.00 0.00 55.97 54.81 1j5c s LYS 94 Cb 0.00 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 1j5c s LYS 94 CO 0.00 -0.22 -0.16 0.08 -0.92 0.00 0.00 175.35 174.13 1j5c s VAL 95 N -3.97 2.82 -0.07 3.17 1.01 -0.91 -3.72 120.40 118.73 1j5c s VAL 95 Ca 0.15 -1.80 -0.00 0.00 0.00 0.00 0.00 61.98 60.33 1j5c s VAL 95 Cb 0.07 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1j5c s VAL 95 CO -0.04 -0.09 -0.03 -0.69 0.00 0.00 0.00 175.10 174.25 1j5c s VAL 96 N -1.64 0.52 0.31 2.92 1.01 -1.13 -3.05 120.40 119.34 1j5c s VAL 96 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1j5c s VAL 96 Cb -0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1j5c s VAL 96 CO 0.13 0.26 0.51 -0.69 0.00 0.00 0.00 175.10 175.31 1j5c s VAL 97 N 1.57 5.12 0.00 2.92 1.01 -1.03 -0.61 120.40 129.38 1j5c s VAL 97 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1j5c s VAL 97 Cb -0.13 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1j5c s VAL 97 CO -0.04 -0.46 0.00 0.47 0.00 0.00 0.00 175.10 175.07