#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 7.15 0.11 0.00 4.22 -1.26 -3.63 114.94 121.53 1j5c s ASN 2 Ca 0.00 2.05 -0.05 0.00 -2.14 0.00 0.00 52.86 52.72 1j5c s ASN 2 Cb 0.00 -2.59 -0.02 0.00 1.28 0.00 0.00 41.25 39.92 1j5c s ASN 2 CO 0.00 -0.38 0.12 0.00 -2.04 0.00 0.00 177.10 174.81 1j5c s ALA 3 N 0.53 0.35 0.17 3.54 0.00 -1.26 -5.01 121.76 120.08 1j5c s ALA 3 Ca 0.55 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1j5c s ALA 3 Cb -0.29 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1j5c s ALA 3 CO 0.32 -0.51 0.21 -0.08 0.00 0.00 0.00 175.76 175.70 1j5c s THR 4 N -3.96 0.05 0.05 0.00 -1.32 -1.26 -1.63 115.64 107.57 1j5c s THR 4 Ca 0.15 -1.67 -0.07 0.00 -1.21 0.00 0.00 61.69 58.89 1j5c s THR 4 Cb 0.06 -2.08 -0.01 0.00 -1.51 0.00 0.00 72.50 68.96 1j5c s THR 4 CO -0.04 -0.25 0.13 -0.69 -2.21 0.00 0.00 174.62 171.56 1j5c s VAL 5 N -4.04 0.14 -0.10 5.08 1.01 -0.11 -4.60 120.40 117.78 1j5c s VAL 5 Ca 0.24 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1j5c s VAL 5 Cb 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1j5c s VAL 5 CO 0.04 -0.63 -0.17 -0.54 0.00 0.00 0.00 175.10 173.80 1j5c s LYS 6 N -3.03 3.08 -1.05 2.72 1.02 -1.19 -1.28 119.74 120.00 1j5c s LYS 6 Ca -0.01 -0.75 -0.23 0.00 0.02 0.00 0.00 55.97 55.00 1j5c s LYS 6 Cb 0.01 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1j5c s LYS 6 CO -0.07 0.29 1.73 -1.64 -0.92 0.00 0.00 175.35 174.75 1j5c s MET 7 N 0.11 3.16 0.00 1.68 -1.94 -0.73 -3.70 119.30 117.88 1j5c s MET 7 Ca -0.08 -1.01 0.00 0.00 -1.71 0.00 0.00 55.69 52.89 1j5c s MET 7 Cb -0.15 -5.28 0.00 0.00 2.01 0.00 0.00 34.83 31.41 1j5c s MET 7 CO 0.05 -2.86 0.00 0.41 -0.01 0.00 0.00 175.02 172.62 1j5c n GLY 8 N 6.47 1.03 3.68 -0.03 0.00 -1.20 -3.04 105.19 112.11 1j5c n GLY 8 Ca 0.40 -2.24 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 1j5c n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5c s SER 9 N 0.00 4.75 0.11 1.61 0.15 -0.33 -4.50 113.70 115.50 1j5c s SER 9 Ca 0.00 -0.56 -0.27 0.00 0.70 0.00 0.00 55.95 55.82 1j5c s SER 9 Cb 0.00 -0.96 -0.08 0.00 -1.71 0.00 0.00 66.02 63.27 1j5c s SER 9 CO 0.00 -0.01 1.64 0.44 1.20 0.00 0.00 173.24 176.51 1j5c h ASP 10 N 1.80 -0.72 -0.55 5.45 5.19 -1.95 -2.78 116.42 122.87 1j5c h ASP 10 Ca -0.45 0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.10 1j5c h ASP 10 Cb 1.25 0.27 -0.08 0.00 0.18 0.00 0.00 39.33 40.95 1j5c h ASP 10 CO 0.60 -0.34 -0.49 -1.28 -3.12 0.00 0.00 179.24 174.62 1j5c h SER 11 N -0.45 -1.69 0.00 6.45 0.87 -2.03 -3.45 113.55 113.25 1j5c h SER 11 Ca 0.03 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1j5c h SER 11 Cb 0.48 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1j5c h SER 11 CO -0.15 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.47 1j5c n GLY 12 N -1.28 0.00 3.35 5.77 0.00 -1.05 -5.17 105.19 106.81 1j5c n GLY 12 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 2.13 -0.95 4.61 0.00 -1.26 -4.95 121.76 121.35 1j5c s ALA 13 Ca 0.00 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.33 1j5c s ALA 13 Cb 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.90 1j5c s ALA 13 CO 0.00 0.41 1.32 -0.48 0.00 0.00 0.00 175.76 177.01 1j5c s LEU 14 N -2.17 3.93 -0.26 0.00 0.05 -1.26 -1.18 118.68 117.79 1j5c s LEU 14 Ca 0.12 -1.48 -0.13 0.00 0.05 0.00 0.00 54.13 52.69 1j5c s LEU 14 Cb -0.09 -2.51 0.09 0.00 -2.05 0.00 0.00 46.19 41.62 1j5c s LEU 14 CO 0.06 -1.42 0.61 0.68 -0.55 0.00 0.00 176.35 175.73 1j5c s VAL 15 N 4.39 -0.27 -0.28 1.48 -7.23 -1.26 -3.53 120.40 113.70 1j5c s VAL 15 Ca 0.40 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.31 1j5c s VAL 15 Cb -0.03 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 36.02 1j5c s VAL 15 CO -0.06 0.01 1.05 -0.36 -0.31 0.00 0.00 175.10 175.43 1j5c s PHE 16 N 1.94 3.23 -0.03 2.82 0.08 -1.26 -3.25 117.98 121.51 1j5c s PHE 16 Ca -0.08 1.30 0.01 0.00 0.12 0.00 0.00 56.93 58.28 1j5c s PHE 16 Cb -0.08 -3.50 0.02 0.00 -0.57 0.00 0.00 43.02 38.89 1j5c s PHE 16 CO -0.18 -0.64 -0.03 -2.00 -0.10 0.00 0.00 175.22 172.27 1j5c s GLU 17 N 3.45 0.57 0.14 0.44 2.56 -1.24 -1.00 118.70 123.62 1j5c s GLU 17 Ca 0.44 -0.06 -0.30 0.00 0.00 0.00 0.00 54.97 55.05 1j5c s GLU 17 Cb -0.13 -0.63 -0.07 0.00 2.00 0.00 0.00 34.13 35.30 1j5c s GLU 17 CO 0.11 -0.06 1.13 -1.25 -0.56 0.00 0.00 175.26 174.64 1j5c s PRO 18 N 0.74 4.54 0.13 4.30 0.04 -1.26 -3.17 135.00 140.32 1j5c s PRO 18 Ca -0.09 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.44 1j5c s PRO 18 Cb -0.12 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1j5c s PRO 18 CO -0.00 -0.03 1.64 0.66 0.04 0.00 0.00 177.00 179.30 1j5c h SER 19 N 5.60 -0.73 -3.04 6.66 4.64 -1.43 -3.41 113.55 121.83 1j5c h SER 19 Ca -0.44 0.11 -0.68 0.00 -0.47 0.00 0.00 61.79 60.32 1j5c h SER 19 Cb 1.21 0.31 -0.12 0.00 -0.31 0.00 0.00 62.40 63.49 1j5c h SER 19 CO 0.75 -0.31 -0.56 -0.89 -0.87 0.00 0.00 176.83 174.95 1j5c s THR 20 N -6.07 4.80 0.11 2.95 2.01 -1.26 -0.40 115.64 117.78 1j5c s THR 20 Ca -0.15 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 1j5c s THR 20 Cb 0.10 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 1j5c s THR 20 CO 0.66 0.60 0.12 0.68 -0.69 0.00 0.00 174.62 176.00 1j5c s VAL 21 N -0.95 0.14 -0.04 3.82 -7.23 -1.22 -5.00 120.40 109.92 1j5c s VAL 21 Ca 0.14 -1.57 -0.07 0.00 -1.81 0.00 0.00 61.98 58.67 1j5c s VAL 21 Cb -0.12 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 1j5c s VAL 21 CO 0.03 -0.62 0.22 0.42 -0.31 0.00 0.00 175.10 174.85 1j5c s THR 22 N -3.95 5.37 0.08 5.32 -4.23 -1.26 -2.44 115.64 114.53 1j5c s THR 22 Ca 0.13 0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1j5c s THR 22 Cb 0.06 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 1j5c s THR 22 CO -0.05 0.47 0.14 -0.51 -0.54 0.00 0.00 174.62 174.14 1j5c s ILE 23 N -1.18 0.15 0.37 2.99 -1.16 0.21 -4.09 121.20 118.49 1j5c s ILE 23 Ca 0.23 -1.27 0.08 0.00 -0.51 0.00 0.00 60.65 59.17 1j5c s ILE 23 Cb -0.13 -1.32 -0.05 0.00 0.61 0.00 0.00 42.46 41.56 1j5c s ILE 23 CO 0.12 -0.70 0.07 -0.54 -2.81 0.00 0.00 174.94 171.08 1j5c s LYS 24 N -3.73 2.14 0.16 3.50 -0.14 -1.24 -0.43 119.74 120.00 1j5c s LYS 24 Ca 0.04 -1.79 -0.30 0.00 -1.36 0.00 0.00 55.97 52.56 1j5c s LYS 24 Cb 0.05 -1.94 -0.07 0.00 -1.68 0.00 0.00 37.83 34.19 1j5c s LYS 24 CO -0.10 0.04 1.16 0.00 -0.76 0.00 0.00 175.35 175.69 1j5c s ALA 25 N -2.55 3.40 0.00 5.17 0.00 -1.26 -2.57 121.76 123.95 1j5c s ALA 25 Ca 0.37 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1j5c s ALA 25 Cb 0.02 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1j5c s ALA 25 CO 0.20 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1j5c n GLY 26 N 2.32 3.08 3.48 0.00 0.00 0.14 -4.96 105.19 109.25 1j5c n GLY 26 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 -2.11 -4.24 1.61 -0.58 -1.06 -4.76 120.64 107.50 1j5c n GLU 27 Ca 0.00 -1.80 -0.14 0.00 -0.42 0.00 0.00 57.16 54.80 1j5c n GLU 27 Cb 0.00 -1.42 -0.10 0.00 -0.57 0.00 0.00 31.44 29.35 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1j5c s GLU 28 N -5.55 1.30 0.21 3.49 1.03 -1.25 -1.83 118.70 116.10 1j5c s GLU 28 Ca 0.69 -1.70 0.06 0.00 0.03 0.00 0.00 54.97 54.05 1j5c s GLU 28 Cb -0.04 0.14 -0.05 0.00 -0.80 0.00 0.00 34.13 33.38 1j5c s GLU 28 CO 0.51 -0.39 -0.08 0.08 -1.33 0.00 0.00 175.26 174.05 1j5c s VAL 29 N -4.00 1.38 -0.06 1.83 1.01 0.09 -3.98 120.40 116.66 1j5c s VAL 29 Ca 0.39 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 60.29 1j5c s VAL 29 Cb 0.07 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1j5c s VAL 29 CO 0.14 -0.50 -0.16 -0.75 0.00 0.00 0.00 175.10 173.83 1j5c s LYS 30 N -3.75 1.99 -0.36 2.72 2.20 -0.65 -1.89 119.74 120.01 1j5c s LYS 30 Ca 0.24 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1j5c s LYS 30 Cb 0.03 -1.62 0.10 0.00 -1.51 0.00 0.00 37.83 34.83 1j5c s LYS 30 CO 0.07 0.12 0.09 -1.58 -0.36 0.00 0.00 175.35 173.69 1j5c s TRP 31 N 0.40 3.72 0.00 4.03 0.51 -0.66 -0.94 118.94 126.01 1j5c s TRP 31 Ca -0.12 -2.89 -0.15 0.00 -2.12 0.00 0.00 56.10 50.82 1j5c s TRP 31 Cb -0.15 -2.99 -0.06 0.00 -0.81 0.00 0.00 33.47 29.46 1j5c s TRP 31 CO 0.04 -0.95 0.42 0.08 -0.51 0.00 0.00 176.95 176.03 1j5c s VAL 32 N 0.92 5.01 0.14 4.03 1.01 -0.41 -2.74 120.40 128.37 1j5c s VAL 32 Ca 0.11 0.87 -0.25 0.00 0.00 0.00 0.00 61.98 62.70 1j5c s VAL 32 Cb -0.20 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1j5c s VAL 32 CO -0.07 0.57 0.78 0.21 0.00 0.00 0.00 175.10 176.59 1j5c s ASN 33 N -1.04 7.36 -0.05 3.32 2.47 -1.26 -1.77 114.94 123.97 1j5c s ASN 33 Ca 0.24 1.61 -0.08 0.00 0.42 0.00 0.00 52.86 55.05 1j5c s ASN 33 Cb -0.17 -2.50 -0.03 0.00 -1.45 0.00 0.00 41.25 37.11 1j5c s ASN 33 CO 0.14 0.16 -0.16 -3.20 -3.72 0.00 0.00 177.10 170.31 1j5c n ASN 34 N 1.90 1.30 -2.75 -4.21 5.15 -1.23 -4.51 115.26 110.91 1j5c n ASN 34 Ca -0.05 0.20 -0.03 0.00 -0.60 0.00 0.00 54.58 54.11 1j5c n ASN 34 Cb 0.49 -0.51 0.02 0.00 -0.53 0.00 0.00 39.78 39.24 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 -3.77 0.54 -1.84 1.20 0.00 -1.17 -4.88 118.16 108.25 1j5c n LYS 35 Ca -0.06 -1.21 -0.00 0.00 0.00 0.00 0.00 58.31 57.04 1j5c n LYS 35 Cb 0.24 1.62 0.00 0.00 0.00 0.00 0.00 35.03 36.89 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j5c n LEU 36 N 0.00 -3.05 -4.91 3.14 4.32 -1.26 -4.62 117.00 110.62 1j5c n LEU 36 Ca -0.02 -0.01 -0.30 0.00 -0.02 0.00 0.00 56.01 55.65 1j5c n LEU 36 Cb 0.45 -1.51 -0.04 0.00 -1.62 0.00 0.00 43.42 40.71 1j5c n LEU 36 CO 0.17 -0.25 0.00 -0.94 -1.22 0.00 0.00 177.39 175.15 1j5c s SER 37 N -2.21 6.44 1.05 -1.43 1.04 -1.26 -4.20 113.70 113.13 1j5c s SER 37 Ca 0.00 0.49 -0.07 0.00 0.48 0.00 0.00 55.95 56.85 1j5c s SER 37 Cb -0.00 -2.05 0.10 0.00 0.10 0.00 0.00 66.02 64.17 1j5c s SER 37 CO 0.16 0.04 0.46 -0.81 0.98 0.00 0.00 173.24 174.07 1j5c n PRO 38 N -0.10 -1.15 -3.64 4.02 -0.04 -1.26 -5.10 135.00 127.74 1j5c n PRO 38 Ca -0.03 -0.72 -0.16 0.00 -0.04 0.00 0.00 63.50 62.55 1j5c n PRO 38 Cb 0.52 -0.57 -0.07 0.00 -0.04 0.00 0.00 33.50 33.34 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 -1.92 -0.47 0.04 0.54 3.76 -0.62 -4.73 115.29 111.89 1j5c s HIS 39 Ca 0.28 0.84 -0.09 0.00 -0.15 0.00 0.00 55.06 55.94 1j5c s HIS 39 Cb -0.02 0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.94 1j5c s HIS 39 CO 0.20 -0.48 0.19 1.21 -0.85 0.00 0.00 174.74 175.01 1j5c s ASN 40 N -1.04 0.04 -0.46 1.40 2.47 -1.26 -1.40 114.94 114.68 1j5c s ASN 40 Ca -0.10 -0.38 0.09 0.00 0.42 0.00 0.00 52.86 52.88 1j5c s ASN 40 Cb -0.03 0.29 0.33 0.00 -1.45 0.00 0.00 41.25 40.39 1j5c s ASN 40 CO 0.07 -0.56 0.79 -0.38 -3.72 0.00 0.00 177.10 173.30 1j5c n ILE 41 N 0.68 1.12 -2.48 -5.21 5.41 -1.25 -4.26 119.36 113.37 1j5c n ILE 41 Ca -0.19 -4.94 -0.41 0.00 1.00 0.00 0.00 62.75 58.21 1j5c n ILE 41 Cb 0.59 -0.94 -0.04 0.00 -0.71 0.00 0.00 39.64 38.54 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 -3.06 3.84 -0.06 1.39 1.01 -1.05 -2.12 120.40 120.36 1j5c s VAL 42 Ca 0.43 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.92 1j5c s VAL 42 Cb 0.30 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1j5c s VAL 42 CO -0.10 0.24 0.06 -0.36 0.00 0.00 0.00 175.10 174.95 1j5c s PHE 43 N -0.02 3.30 0.11 5.22 0.40 -1.26 -1.03 117.98 124.72 1j5c s PHE 43 Ca 0.51 0.27 0.02 0.00 -0.60 0.00 0.00 56.93 57.13 1j5c s PHE 43 Cb -0.30 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1j5c s PHE 43 CO 0.34 0.56 0.22 0.00 0.70 0.00 0.00 175.22 177.04 1j5c s ALA 44 N -1.05 3.89 -1.19 5.36 0.00 0.13 -4.75 121.76 124.15 1j5c s ALA 44 Ca 0.18 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 1j5c s ALA 44 Cb -0.12 -1.71 0.21 0.00 0.00 0.00 0.00 23.12 21.51 1j5c s ALA 44 CO 0.08 0.65 1.46 0.00 0.00 0.00 0.00 175.76 177.95 1j5c n ALA 45 N -0.14 4.43 -3.50 0.00 0.00 -1.26 -4.17 120.51 115.87 1j5c n ALA 45 Ca -0.07 -4.43 -0.42 0.00 0.00 0.00 0.00 53.44 48.52 1j5c n ALA 45 Cb 0.53 -2.81 -0.07 0.00 0.00 0.00 0.00 19.45 17.09 1j5c n ALA 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j5c s ASP 46 N 1.50 5.85 0.00 0.00 2.15 -1.26 -4.42 116.67 120.48 1j5c s ASP 46 Ca 0.38 -1.99 0.00 0.00 0.43 0.00 0.00 52.55 51.37 1j5c s ASP 46 Cb -0.01 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 1j5c s ASP 46 CO -0.00 -0.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 1j5c n GLY 47 N 4.85 3.16 3.76 2.66 0.00 -1.26 -4.86 105.19 113.49 1j5c n GLY 47 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.78 4.30 0.81 1.61 1.01 -1.26 -5.06 120.40 120.03 1j5c s VAL 48 Ca 0.00 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.70 1j5c s VAL 48 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1j5c s VAL 48 CO 0.00 -0.08 0.42 0.47 0.00 0.00 0.00 175.10 175.91 1j5c n ASP 49 N -0.19 -1.74 -0.04 3.32 8.00 -1.26 -4.68 116.55 119.96 1j5c n ASP 49 Ca -0.09 0.48 -0.14 0.00 0.71 0.00 0.00 54.79 55.76 1j5c n ASP 49 Cb 0.54 -1.19 -0.11 0.00 -0.02 0.00 0.00 41.12 40.34 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 -0.81 0.00 0.10 2.24 0.00 -1.98 -2.69 119.26 116.13 1j5c h ALA 50 Ca -0.45 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1j5c h ALA 50 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1j5c h ALA 50 CO 0.39 -0.12 -0.31 -0.44 0.00 0.00 0.00 179.25 178.77 1j5c h ASP 51 N -0.71 -0.91 -0.68 0.00 3.32 -1.98 0.52 116.42 115.97 1j5c h ASP 51 Ca -0.00 0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.22 1j5c h ASP 51 Cb 0.75 0.33 -0.11 0.00 0.22 0.00 0.00 39.33 40.53 1j5c h ASP 51 CO 0.00 -0.34 -0.52 0.74 -1.72 0.00 0.00 179.24 177.41 1j5c h THR 52 N -0.46 0.03 -0.96 0.35 2.02 -1.95 0.91 112.91 112.84 1j5c h THR 52 Ca -0.01 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.35 1j5c h THR 52 Cb 0.45 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 1j5c h THR 52 CO -0.15 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.35 1j5c h ALA 53 N 0.44 1.85 -0.11 6.16 0.00 -1.11 0.43 119.26 126.92 1j5c h ALA 53 Ca 0.15 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1j5c h ALA 53 Cb 0.53 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1j5c h ALA 53 CO -0.76 -0.17 -0.21 0.00 0.00 0.00 0.00 179.25 178.12 1j5c h ALA 54 N 1.62 -0.17 -0.48 0.00 0.00 0.60 1.45 119.26 122.28 1j5c h ALA 54 Ca 0.52 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.49 1j5c h ALA 54 Cb 0.93 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1j5c h ALA 54 CO -0.28 -0.67 0.28 0.87 0.00 0.00 0.00 179.25 179.45 1j5c h LYS 55 N -0.27 0.55 0.00 0.00 1.57 0.22 0.21 116.57 118.85 1j5c h LYS 55 Ca 0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1j5c h LYS 55 Cb 0.41 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1j5c h LYS 55 CO -0.27 0.36 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 1j5c n LEU 56 N -4.82 0.36 -4.67 2.94 4.32 -0.38 -4.63 117.00 110.12 1j5c n LEU 56 Ca 0.03 0.59 -0.43 0.00 -0.02 0.00 0.00 56.01 56.18 1j5c n LEU 56 Cb 0.08 -0.54 -0.02 0.00 -1.62 0.00 0.00 43.42 41.31 1j5c n LEU 56 CO 0.32 -0.41 0.87 -0.94 -1.22 0.00 0.00 177.39 176.01 1j5c s SER 57 N -3.68 7.15 -0.59 -1.43 1.04 0.49 -4.58 113.70 112.11 1j5c s SER 57 Ca 0.06 1.43 -0.27 0.00 0.48 0.00 0.00 55.95 57.64 1j5c s SER 57 Cb 0.09 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1j5c s SER 57 CO 0.34 -0.59 1.55 -1.00 0.98 0.00 0.00 173.24 174.52 1j5c s HIS 58 N 2.78 2.07 -0.45 5.02 3.76 -0.90 -4.83 115.29 122.74 1j5c s HIS 58 Ca 0.45 0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.89 1j5c s HIS 58 Cb -0.16 -4.32 0.46 0.00 1.11 0.00 0.00 32.58 29.66 1j5c s HIS 58 CO 0.10 -2.16 1.54 1.63 -0.85 0.00 0.00 174.74 175.00 1j5c n LYS 59 N 8.91 3.24 -0.02 1.40 4.76 -1.26 -4.16 118.16 131.03 1j5c n LYS 59 Ca 0.14 -3.81 -0.02 0.00 -2.87 0.00 0.00 58.31 51.75 1j5c n LYS 59 Cb 0.50 -2.28 -0.02 0.00 -1.84 0.00 0.00 35.03 31.38 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j5c n GLY 60 N -0.79 -0.09 0.93 0.72 0.00 -1.26 -5.13 105.19 99.56 1j5c n GLY 60 Ca 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.45 -3.68 -4.08 0.99 7.94 -1.26 -5.03 117.00 109.42 1j5c n LEU 61 Ca -0.07 1.29 -0.27 0.00 -1.11 0.00 0.00 56.01 55.86 1j5c n LEU 61 Cb 0.59 -1.26 -0.17 0.00 0.53 0.00 0.00 43.42 43.11 1j5c n LEU 61 CO 0.05 -0.48 -0.49 0.00 -1.11 0.00 0.00 177.39 175.36 1j5c s ALA 62 N -0.78 1.53 0.00 1.96 0.00 -0.49 -4.98 121.76 119.00 1j5c s ALA 62 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1j5c s ALA 62 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1j5c s ALA 62 CO 0.00 0.13 0.00 1.97 0.00 0.00 0.00 175.76 177.86 1j5c n PHE 63 N 3.79 0.00 -2.61 0.00 -1.74 -1.26 -1.59 117.46 114.05 1j5c n PHE 63 Ca -0.21 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.25 1j5c n PHE 63 Cb 0.52 0.11 -0.02 0.00 1.52 0.00 0.00 39.48 41.61 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 -1.59 3.34 -0.06 1.98 0.00 -1.26 -4.69 121.76 119.48 1j5c s ALA 64 Ca 0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 51.96 51.35 1j5c s ALA 64 Cb 0.00 -3.78 -0.17 0.00 0.00 0.00 0.00 23.12 19.18 1j5c s ALA 64 CO 0.00 -1.83 1.48 0.00 0.00 0.00 0.00 175.76 175.40 1j5c n ALA 65 N 7.34 -0.86 0.00 0.00 0.00 -1.26 -2.75 120.51 122.98 1j5c n ALA 65 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1j5c n ALA 65 Cb 0.48 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 3.10 4.14 3.67 0.00 0.00 -1.26 -5.09 105.19 109.74 1j5c n GLY 66 Ca 0.22 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 4.27 -0.03 1.61 0.41 -1.11 -4.93 118.70 118.91 1j5c s GLU 67 Ca 0.00 1.63 0.03 0.00 -0.41 0.00 0.00 54.97 56.22 1j5c s GLU 67 Cb 0.00 -3.70 0.00 0.00 -1.78 0.00 0.00 34.13 28.65 1j5c s GLU 67 CO 0.00 -0.63 -0.11 -1.12 -0.49 0.00 0.00 175.26 172.90 1j5c s SER 68 N 1.77 1.48 0.56 -0.19 0.01 -1.26 -4.09 113.70 111.97 1j5c s SER 68 Ca 0.54 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.64 1j5c s SER 68 Cb -0.22 -0.43 0.07 0.00 0.21 0.00 0.00 66.02 65.66 1j5c s SER 68 CO 0.15 0.08 0.76 -0.36 0.41 0.00 0.00 173.24 174.29 1j5c s PHE 69 N 0.21 1.84 0.02 2.43 0.08 -1.11 -4.91 117.98 116.54 1j5c s PHE 69 Ca -0.04 -0.55 -0.08 0.00 0.12 0.00 0.00 56.93 56.37 1j5c s PHE 69 Cb -0.10 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 1j5c s PHE 69 CO 0.01 -1.04 0.16 0.99 -0.10 0.00 0.00 175.22 175.24 1j5c s THR 70 N -2.66 0.10 0.22 0.64 2.01 -1.26 -1.66 115.64 113.03 1j5c s THR 70 Ca 0.61 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.84 1j5c s THR 70 Cb -0.07 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 1j5c s THR 70 CO 0.38 -0.44 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.39 1j5c s SER 71 N -1.73 1.97 -0.08 3.53 0.01 -0.79 -4.92 113.70 111.69 1j5c s SER 71 Ca -0.10 -1.16 -0.00 0.00 1.31 0.00 0.00 55.95 55.99 1j5c s SER 71 Cb -0.04 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.19 1j5c s SER 71 CO -0.01 -0.44 -0.04 -0.89 0.41 0.00 0.00 173.24 172.27 1j5c s THR 72 N -3.33 0.66 -0.55 1.44 2.01 -1.26 -0.73 115.64 113.88 1j5c s THR 72 Ca 0.26 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 1j5c s THR 72 Cb 0.04 -0.73 0.14 0.00 0.01 0.00 0.00 72.50 71.97 1j5c s THR 72 CO 0.07 0.29 0.46 -0.36 -0.69 0.00 0.00 174.62 174.40 1j5c s PHE 73 N 1.54 3.39 -0.09 4.92 0.40 -0.76 -4.85 117.98 122.52 1j5c s PHE 73 Ca -0.00 -1.67 -0.22 0.00 -0.60 0.00 0.00 56.93 54.44 1j5c s PHE 73 Cb -0.13 -3.65 -0.18 0.00 0.51 0.00 0.00 43.02 39.56 1j5c s PHE 73 CO -0.04 -1.00 0.73 1.15 0.70 0.00 0.00 175.22 176.76 1j5c h THR 74 N 5.85 1.20 -3.32 0.64 2.02 -1.88 0.41 112.91 117.81 1j5c h THR 74 Ca -0.21 -1.65 -0.57 0.00 0.77 0.00 0.00 66.41 64.75 1j5c h THR 74 Cb 1.08 2.16 -0.06 0.00 -1.74 0.00 0.00 68.15 69.58 1j5c h THR 74 CO 0.92 0.37 -0.02 -1.61 0.37 0.00 0.00 175.52 175.55 1j5c s GLU 75 N -2.69 4.35 -0.73 6.66 2.02 -1.26 -4.01 118.70 123.05 1j5c s GLU 75 Ca -0.14 0.71 -0.26 0.00 0.02 0.00 0.00 54.97 55.30 1j5c s GLU 75 Cb -0.01 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1j5c s GLU 75 CO 0.52 0.24 1.59 -1.25 0.02 0.00 0.00 175.26 176.37 1j5c s PRO 76 N 0.26 2.94 0.00 0.39 0.04 -1.26 -4.83 135.00 132.54 1j5c s PRO 76 Ca 0.32 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1j5c s PRO 76 Cb -0.17 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1j5c s PRO 76 CO 0.16 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1j5c n GLY 77 N 5.76 5.37 2.72 0.56 0.00 -1.26 -4.95 105.19 113.39 1j5c n GLY 77 Ca 0.16 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 1j5c n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5c s THR 78 N 1.79 -0.33 0.46 2.61 2.01 -1.26 -2.68 115.64 118.25 1j5c s THR 78 Ca 0.00 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 1j5c s THR 78 Cb 0.00 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1j5c s THR 78 CO 0.00 -0.46 0.81 -0.31 -0.69 0.00 0.00 174.62 173.97 1j5c s TYR 79 N 2.31 3.52 0.03 4.92 1.51 -1.16 -4.85 117.35 123.62 1j5c s TYR 79 Ca 0.09 1.01 0.03 0.00 -1.01 0.00 0.00 57.07 57.18 1j5c s TYR 79 Cb -0.15 -2.44 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 1j5c s TYR 79 CO -0.29 -0.25 -0.08 0.99 -1.11 0.00 0.00 175.55 174.80 1j5c s THR 80 N -2.61 0.64 0.20 -0.71 2.01 -1.26 -2.78 115.64 111.13 1j5c s THR 80 Ca 0.51 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 1j5c s THR 80 Cb -0.10 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1j5c s THR 80 CO 0.39 -0.13 0.31 -0.72 -0.69 0.00 0.00 174.62 173.78 1j5c s TYR 81 N -0.85 0.57 0.00 4.92 -0.85 -1.26 0.21 117.35 120.09 1j5c s TYR 81 Ca -0.03 -0.90 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 1j5c s TYR 81 Cb -0.07 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.17 1j5c s TYR 81 CO 0.00 -0.79 0.00 2.48 -1.52 0.00 0.00 175.55 175.73 1j5c n TYR 82 N -0.28 -0.38 -3.79 -3.49 4.11 -0.20 -4.74 117.16 108.39 1j5c n TYR 82 Ca -0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.51 1j5c n TYR 82 Cb 0.63 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.85 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1j5c h GLU 84 N 8.08 -0.12 0.00 0.00 5.08 -1.92 -3.31 114.58 122.38 1j5c h GLU 84 Ca -0.16 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1j5c h GLU 84 Cb 1.06 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1j5c h GLU 84 CO 0.66 0.14 0.00 -0.35 -1.00 0.00 0.00 179.01 178.46 1j5c n PRO 85 N -5.03 0.00 -1.62 2.33 -0.04 -1.26 -4.78 135.00 124.60 1j5c n PRO 85 Ca -0.08 0.00 -0.65 0.00 -0.04 0.00 0.00 63.50 62.72 1j5c n PRO 85 Cb 0.18 -0.22 -0.10 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.10 1.61 -1.46 0.54 -0.00 -1.26 -4.46 115.22 110.09 1j5c n HIS 86 Ca 0.00 1.06 -0.34 0.00 -0.00 0.00 0.00 57.72 58.44 1j5c n HIS 86 Cb 0.00 -2.20 -0.17 0.00 -0.00 0.00 0.00 29.99 27.62 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 4.56 0.00 -0.01 1.57 0.63 -1.26 -4.70 116.66 117.45 1j5c n ARG 87 Ca 0.35 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.28 1j5c n ARG 87 Cb -0.06 -1.30 -0.00 0.00 0.45 0.00 0.00 32.46 31.56 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 6.00 -2.83 4.40 5.14 0.00 -1.25 -4.71 105.19 111.95 1j5c n GLY 88 Ca 0.65 0.54 -0.40 0.00 0.00 0.00 0.00 46.02 46.81 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 -2.91 -1.21 0.00 4.61 0.00 -1.26 -4.08 120.51 115.66 1j5c n ALA 89 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1j5c n ALA 89 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 16.82 1j5c n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5c n GLY 90 N -1.10 0.42 3.54 0.00 0.00 -1.26 -5.06 105.19 101.72 1j5c n GLY 90 Ca 0.11 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 -1.49 0.00 1.61 2.81 -1.23 -4.87 117.12 113.96 1j5c n MET 91 Ca 0.00 0.85 0.00 0.00 -1.81 0.00 0.00 57.70 56.74 1j5c n MET 91 Cb 0.00 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 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 -1.72 0.00 -2.04 2.03 0.31 -1.26 -4.57 118.33 111.08 1j5c n VAL 92 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1j5c n VAL 92 Cb 0.62 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j5c n GLY 93 N 3.00 -5.29 3.11 2.92 0.00 -1.26 -4.61 105.19 103.06 1j5c n GLY 93 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.29 0.68 0.02 1.61 -2.85 0.46 -4.15 119.74 114.21 1j5c s LYS 94 Ca 0.00 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 1j5c s LYS 94 Cb 0.00 -0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.59 1j5c s LYS 94 CO 0.00 -0.02 0.09 0.08 0.10 0.00 0.00 175.35 175.61 1j5c s VAL 95 N -2.90 4.75 -0.04 1.79 1.01 -1.12 -3.37 120.40 120.52 1j5c s VAL 95 Ca 0.03 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1j5c s VAL 95 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1j5c s VAL 95 CO -0.04 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.57 1j5c s VAL 96 N -1.27 0.77 0.41 2.92 1.01 -1.02 -2.97 120.40 120.25 1j5c s VAL 96 Ca 0.25 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1j5c s VAL 96 Cb -0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1j5c s VAL 96 CO 0.17 0.26 0.45 -0.69 0.00 0.00 0.00 175.10 175.29 1j5c s VAL 97 N 0.51 2.88 0.00 2.92 1.01 -1.09 0.64 120.40 127.27 1j5c s VAL 97 Ca -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1j5c s VAL 97 Cb -0.12 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1j5c s VAL 97 CO 0.01 -0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.43