#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 6.98 -0.01 0.00 4.22 -1.26 -3.49 114.94 121.38 1j5c s ASN 2 Ca 0.00 1.76 0.01 0.00 -2.14 0.00 0.00 52.86 52.49 1j5c s ASN 2 Cb 0.00 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.98 1j5c s ASN 2 CO 0.00 -0.33 -0.03 0.00 -2.04 0.00 0.00 177.10 174.70 1j5c s ALA 3 N -2.01 0.33 0.04 3.54 0.00 -1.25 -4.84 121.76 117.57 1j5c s ALA 3 Ca 0.59 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 1j5c s ALA 3 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1j5c s ALA 3 CO 0.17 0.05 0.12 0.99 0.00 0.00 0.00 175.76 177.08 1j5c s THR 4 N 0.12 0.13 0.00 0.00 2.01 -1.26 -2.42 115.64 114.23 1j5c s THR 4 Ca -0.01 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1j5c s THR 4 Cb -0.04 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1j5c s THR 4 CO -0.00 -0.60 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.61 1j5c s VAL 5 N -2.75 0.16 -1.30 3.82 1.01 -0.98 -4.60 120.40 115.76 1j5c s VAL 5 Ca -0.04 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1j5c s VAL 5 Cb -0.00 -0.16 0.29 0.00 0.00 0.00 0.00 36.38 36.51 1j5c s VAL 5 CO -0.05 -0.01 1.08 2.29 0.00 0.00 0.00 175.10 178.42 1j5c n LYS 6 N 2.89 2.11 0.00 2.72 2.85 -1.25 -3.25 118.16 124.23 1j5c n LYS 6 Ca -0.13 -1.12 0.00 0.00 -1.05 0.00 0.00 58.31 56.01 1j5c n LYS 6 Cb 0.59 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 1j5c n LYS 6 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1j5c n MET 7 N 0.28 0.00 0.00 -1.58 2.81 -1.26 -4.23 117.12 113.13 1j5c n MET 7 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1j5c n MET 7 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.95 1j5c n MET 7 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j5c n GLY 8 N 0.00 0.69 3.25 3.03 0.00 -1.23 -3.50 105.19 107.43 1j5c n GLY 8 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.00 0.15 0.10 1.61 0.01 -1.25 -4.12 113.70 109.20 1j5c s SER 9 Ca 0.00 -0.94 -0.24 0.00 1.31 0.00 0.00 55.95 56.08 1j5c s SER 9 Cb 0.00 0.37 -0.12 0.00 0.21 0.00 0.00 66.02 66.48 1j5c s SER 9 CO 0.00 -0.81 1.70 -0.78 0.41 0.00 0.00 173.24 173.77 1j5c h ASP 10 N 2.70 -0.26 0.34 2.44 1.82 -1.96 -2.99 116.42 118.52 1j5c h ASP 10 Ca -0.33 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1j5c h ASP 10 Cb 1.21 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 41.28 1j5c h ASP 10 CO 0.53 -0.15 -0.45 0.28 -1.61 0.00 0.00 179.24 177.85 1j5c h SER 11 N -0.20 -1.27 0.00 2.28 0.02 -2.05 -3.48 113.55 108.85 1j5c h SER 11 Ca 0.01 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1j5c h SER 11 Cb 0.21 0.44 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1j5c h SER 11 CO -0.04 -0.58 0.00 0.61 -1.14 0.00 0.00 176.83 175.68 1j5c n GLY 12 N -1.51 1.71 3.41 -3.77 0.00 -1.13 -5.17 105.19 98.73 1j5c n GLY 12 Ca -0.10 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.41 -0.83 4.61 0.00 -1.26 -4.98 121.76 117.88 1j5c s ALA 13 Ca 0.00 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 52.62 1j5c s ALA 13 Cb 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 23.12 23.32 1j5c s ALA 13 CO 0.00 -0.48 2.67 -0.11 0.00 0.00 0.00 175.76 177.83 1j5c n LEU 14 N 0.50 5.89 -4.82 0.00 7.94 -1.26 -3.95 117.00 121.30 1j5c n LEU 14 Ca -0.19 -3.26 -0.31 0.00 -1.11 0.00 0.00 56.01 51.14 1j5c n LEU 14 Cb 0.60 -1.25 -0.05 0.00 0.53 0.00 0.00 43.42 43.25 1j5c n LEU 14 CO 0.20 1.29 -0.14 0.68 -1.11 0.00 0.00 177.39 178.31 1j5c s VAL 15 N 2.34 1.26 -0.16 1.96 -7.23 -1.26 -4.19 120.40 113.12 1j5c s VAL 15 Ca 0.54 -1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1j5c s VAL 15 Cb 0.18 -2.08 0.08 0.00 0.56 0.00 0.00 36.38 35.12 1j5c s VAL 15 CO -0.03 0.00 0.25 0.72 -0.31 0.00 0.00 175.10 175.72 1j5c s PHE 16 N -2.86 -0.37 -0.08 2.82 -0.71 -1.23 -3.53 117.98 112.02 1j5c s PHE 16 Ca 0.14 0.67 -0.06 0.00 -1.04 0.00 0.00 56.93 56.64 1j5c s PHE 16 Cb -0.00 -0.17 0.03 0.00 -1.21 0.00 0.00 43.02 41.67 1j5c s PHE 16 CO 0.08 -0.45 0.20 -1.21 -1.34 0.00 0.00 175.22 172.50 1j5c s GLU 17 N 2.38 0.20 0.22 1.99 2.02 -1.26 -2.55 118.70 121.70 1j5c s GLU 17 Ca 0.04 0.36 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 1j5c s GLU 17 Cb -0.13 -0.00 -0.08 0.00 0.10 0.00 0.00 34.13 34.01 1j5c s GLU 17 CO -0.10 -0.09 1.10 -1.25 0.02 0.00 0.00 175.26 174.95 1j5c s PRO 18 N 0.60 4.61 0.33 0.39 0.04 -1.26 -3.94 135.00 135.76 1j5c s PRO 18 Ca -0.04 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.82 1j5c s PRO 18 Cb -0.06 -3.24 0.74 0.00 0.04 0.00 0.00 34.50 31.99 1j5c s PRO 18 CO -0.03 0.13 1.84 0.66 0.04 0.00 0.00 177.00 179.63 1j5c h SER 19 N 4.61 0.75 -4.00 6.66 4.64 -1.88 -3.40 113.55 120.93 1j5c h SER 19 Ca -0.45 0.05 -0.61 0.00 -0.47 0.00 0.00 61.79 60.31 1j5c h SER 19 Cb 1.21 -0.09 -0.31 0.00 -0.31 0.00 0.00 62.40 62.90 1j5c h SER 19 CO 0.70 0.35 -0.86 -0.89 -0.87 0.00 0.00 176.83 175.27 1j5c s THR 20 N -5.78 1.66 0.08 2.95 2.01 -1.26 -2.56 115.64 112.74 1j5c s THR 20 Ca -0.11 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.10 1j5c s THR 20 Cb 0.23 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1j5c s THR 20 CO 0.80 0.47 -0.17 0.68 -0.69 0.00 0.00 174.62 175.71 1j5c s VAL 21 N -0.09 1.34 -0.09 3.82 -7.23 -1.24 -5.06 120.40 111.86 1j5c s VAL 21 Ca -0.02 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 1j5c s VAL 21 Cb -0.12 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.53 1j5c s VAL 21 CO 0.02 -0.12 0.28 0.42 -0.31 0.00 0.00 175.10 175.39 1j5c s THR 22 N -1.17 5.27 0.05 5.32 -4.23 -1.26 -2.63 115.64 116.98 1j5c s THR 22 Ca 0.02 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1j5c s THR 22 Cb -0.10 -3.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1j5c s THR 22 CO 0.03 0.54 0.04 -0.51 -0.54 0.00 0.00 174.62 174.18 1j5c s ILE 23 N -0.63 0.16 0.21 2.99 -1.16 0.01 -3.92 121.20 118.86 1j5c s ILE 23 Ca 0.19 -1.33 0.06 0.00 -0.51 0.00 0.00 60.65 59.06 1j5c s ILE 23 Cb -0.14 -1.08 -0.04 0.00 0.61 0.00 0.00 42.46 41.81 1j5c s ILE 23 CO 0.07 -0.74 0.14 -0.54 -2.81 0.00 0.00 174.94 171.07 1j5c s LYS 24 N -3.06 2.82 -1.12 3.50 -0.14 -1.23 -1.95 119.74 118.56 1j5c s LYS 24 Ca -0.01 -1.01 -0.23 0.00 -1.36 0.00 0.00 55.97 53.36 1j5c s LYS 24 Cb 0.02 -2.55 -0.07 0.00 -1.68 0.00 0.00 37.83 33.55 1j5c s LYS 24 CO -0.07 0.44 1.92 0.00 -0.76 0.00 0.00 175.35 176.88 1j5c s ALA 25 N -1.95 1.84 0.00 5.17 0.00 -1.16 -1.69 121.76 123.97 1j5c s ALA 25 Ca 0.31 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1j5c s ALA 25 Cb -0.09 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.39 1j5c s ALA 25 CO 0.23 -5.04 0.00 0.41 0.00 0.00 0.00 175.76 171.37 1j5c n GLY 26 N 6.05 0.91 3.06 0.00 0.00 0.12 -4.82 105.19 110.52 1j5c n GLY 26 Ca 0.44 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.96 -4.20 1.61 -0.58 -0.68 -4.62 120.64 110.21 1j5c n GLU 27 Ca 0.00 -1.58 -0.12 0.00 -0.42 0.00 0.00 57.16 55.04 1j5c n GLU 27 Cb 0.00 -1.25 -0.10 0.00 -0.57 0.00 0.00 31.44 29.52 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 -5.24 1.20 0.30 3.49 -1.05 -1.26 -1.31 118.70 114.83 1j5c s GLU 28 Ca 0.61 -1.63 0.10 0.00 -0.15 0.00 0.00 54.97 53.90 1j5c s GLU 28 Cb -0.04 0.25 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 1j5c s GLU 28 CO 0.45 -0.38 -0.05 0.08 0.95 0.00 0.00 175.26 176.31 1j5c s VAL 29 N -4.14 2.90 -0.10 1.83 1.01 0.19 -3.75 120.40 118.34 1j5c s VAL 29 Ca 0.38 -2.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.29 1j5c s VAL 29 Cb 0.07 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1j5c s VAL 29 CO 0.12 -0.32 -0.05 -0.75 0.00 0.00 0.00 175.10 174.10 1j5c s LYS 30 N -3.65 1.22 -0.46 2.72 2.20 -1.02 -2.02 119.74 118.73 1j5c s LYS 30 Ca 0.32 -0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 55.75 1j5c s LYS 30 Cb -0.04 -1.36 0.12 0.00 -1.51 0.00 0.00 37.83 35.04 1j5c s LYS 30 CO 0.18 -0.27 0.29 -1.58 -0.36 0.00 0.00 175.35 173.62 1j5c s TRP 31 N 1.74 3.52 0.18 4.03 0.51 -0.96 -2.32 118.94 125.64 1j5c s TRP 31 Ca 0.04 -2.29 -0.27 0.00 -2.12 0.00 0.00 56.10 51.46 1j5c s TRP 31 Cb -0.13 -3.32 -0.08 0.00 -0.81 0.00 0.00 33.47 29.13 1j5c s TRP 31 CO -0.07 -0.96 0.83 0.54 -0.51 0.00 0.00 176.95 176.78 1j5c s VAL 32 N 1.03 4.29 -0.70 4.03 0.11 -1.20 -2.11 120.40 125.85 1j5c s VAL 32 Ca 0.09 1.84 -0.27 0.00 -2.93 0.00 0.00 61.98 60.71 1j5c s VAL 32 Cb -0.23 -4.21 0.02 0.00 -1.53 0.00 0.00 36.38 30.43 1j5c s VAL 32 CO -0.03 0.50 1.36 0.20 -3.33 0.00 0.00 175.10 173.80 1j5c s ASN 33 N -1.08 6.06 -0.03 3.54 0.01 -1.25 -4.44 114.94 117.74 1j5c s ASN 33 Ca 0.38 -0.26 -0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1j5c s ASN 33 Cb -0.24 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 38.86 1j5c s ASN 33 CO 0.28 -1.88 -0.01 -1.13 -1.51 0.00 0.00 177.10 172.85 1j5c h ASN 34 N 10.73 0.00 0.00 -1.22 -1.24 -1.92 -3.35 115.58 118.59 1j5c h ASN 34 Ca -0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1j5c h ASN 34 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1j5c h ASN 34 CO 1.26 0.17 0.00 1.17 -1.29 0.00 0.00 177.43 178.74 1j5c n LYS 35 N -2.92 0.00 -3.14 6.67 4.81 -1.26 -4.70 118.16 117.61 1j5c n LYS 35 Ca -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1j5c n LYS 35 Cb 0.01 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.06 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 -6.28 -4.57 3.14 4.32 -1.26 -4.78 117.00 107.58 1j5c n LEU 36 Ca 0.00 -0.16 -0.25 0.00 -0.02 0.00 0.00 56.01 55.59 1j5c n LEU 36 Cb 0.00 -3.13 -0.09 0.00 -1.62 0.00 0.00 43.42 38.58 1j5c n LEU 36 CO 0.00 -0.98 -0.37 -0.94 -1.22 0.00 0.00 177.39 173.87 1j5c s SER 37 N -2.99 3.94 0.87 -1.43 1.04 -1.26 -4.32 113.70 109.55 1j5c s SER 37 Ca 0.01 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.29 1j5c s SER 37 Cb -0.00 -0.46 0.11 0.00 0.10 0.00 0.00 66.02 65.77 1j5c s SER 37 CO 0.77 -0.13 1.12 -2.16 0.98 0.00 0.00 173.24 173.82 1j5c s PRO 38 N -3.63 1.52 -0.30 4.02 0.04 -1.26 -4.99 135.00 130.40 1j5c s PRO 38 Ca 0.33 0.42 -0.25 0.00 0.04 0.00 0.00 61.00 61.53 1j5c s PRO 38 Cb -0.01 -1.87 0.19 0.00 0.04 0.00 0.00 34.50 32.85 1j5c s PRO 38 CO 0.17 -1.96 1.44 -3.38 0.04 0.00 0.00 177.00 173.31 1j5c s HIS 39 N -3.24 -0.05 0.41 0.56 -3.43 -1.26 -4.41 115.29 103.87 1j5c s HIS 39 Ca 0.63 0.13 0.03 0.00 -0.80 0.00 0.00 55.06 55.05 1j5c s HIS 39 Cb -0.15 0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 31.46 1j5c s HIS 39 CO 0.54 -0.03 0.09 0.54 -2.00 0.00 0.00 174.74 173.88 1j5c s ASN 40 N -0.06 2.96 -0.55 7.38 4.22 -1.26 -4.12 114.94 123.51 1j5c s ASN 40 Ca 0.08 -1.60 0.06 0.00 -2.14 0.00 0.00 52.86 49.25 1j5c s ASN 40 Cb -0.05 0.36 0.21 0.00 1.28 0.00 0.00 41.25 43.05 1j5c s ASN 40 CO -0.15 -0.84 0.52 -0.38 -2.04 0.00 0.00 177.10 174.21 1j5c n ILE 41 N -0.93 0.56 -2.75 0.54 5.41 -0.93 -4.54 119.36 116.73 1j5c n ILE 41 Ca -0.07 -4.39 -0.41 0.00 1.00 0.00 0.00 62.75 58.88 1j5c n ILE 41 Cb 0.66 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.56 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 -1.24 4.45 -0.03 1.39 1.01 -1.01 -0.27 120.40 124.69 1j5c s VAL 42 Ca 0.33 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.36 1j5c s VAL 42 Cb 0.07 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1j5c s VAL 42 CO -0.13 0.35 0.02 -0.36 0.00 0.00 0.00 175.10 174.98 1j5c s PHE 43 N -0.19 3.14 0.03 5.22 0.40 -1.26 -2.25 117.98 123.08 1j5c s PHE 43 Ca 0.46 0.14 -0.11 0.00 -0.60 0.00 0.00 56.93 56.81 1j5c s PHE 43 Cb -0.24 -1.72 -0.06 0.00 0.51 0.00 0.00 43.02 41.52 1j5c s PHE 43 CO 0.30 0.48 0.38 0.00 0.70 0.00 0.00 175.22 177.09 1j5c s ALA 44 N -1.05 3.73 -1.09 5.36 0.00 -0.14 -4.79 121.76 123.78 1j5c s ALA 44 Ca 0.18 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.73 1j5c s ALA 44 Cb -0.12 -2.29 0.28 0.00 0.00 0.00 0.00 23.12 20.99 1j5c s ALA 44 CO 0.08 0.54 1.11 0.00 0.00 0.00 0.00 175.76 177.49 1j5c n ALA 45 N 1.33 4.26 -3.29 0.00 0.00 -1.26 -4.51 120.51 117.04 1j5c n ALA 45 Ca -0.11 -4.67 -0.44 0.00 0.00 0.00 0.00 53.44 48.22 1j5c n ALA 45 Cb 0.52 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 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 0.86 6.01 0.00 0.00 2.15 -1.26 -4.39 116.67 120.04 1j5c s ASP 46 Ca 0.31 -1.71 0.00 0.00 0.43 0.00 0.00 52.55 51.57 1j5c s ASP 46 Cb -0.08 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1j5c s ASP 46 CO -0.07 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 1j5c n GLY 47 N 5.13 2.84 3.95 2.66 0.00 -1.26 -5.00 105.19 113.50 1j5c n GLY 47 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.64 2.42 0.42 1.61 1.01 -1.26 -5.06 120.40 117.91 1j5c s VAL 48 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1j5c s VAL 48 Cb 0.00 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 1j5c s VAL 48 CO 0.00 0.00 1.03 -1.81 0.00 0.00 0.00 175.10 174.32 1j5c s ASP 49 N -4.48 6.68 0.01 3.32 1.11 -1.26 -4.87 116.67 117.17 1j5c s ASP 49 Ca 0.59 1.97 -0.27 0.00 0.18 0.00 0.00 52.55 55.03 1j5c s ASP 49 Cb -0.11 -2.57 -0.15 0.00 1.07 0.00 0.00 42.92 41.16 1j5c s ASP 49 CO 0.42 -0.55 1.15 0.00 1.18 0.00 0.00 175.17 177.37 1j5c h ALA 50 N 2.22 -0.88 -0.69 5.23 0.00 -1.97 -1.52 119.26 121.65 1j5c h ALA 50 Ca -0.49 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.28 1j5c h ALA 50 Cb 1.21 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 1j5c h ALA 50 CO 0.61 -0.85 -0.41 -0.25 0.00 0.00 0.00 179.25 178.36 1j5c n ASP 51 N -5.37 -0.73 -0.09 0.00 8.00 -1.26 0.15 116.55 117.24 1j5c n ASP 51 Ca -0.12 1.53 -0.10 0.00 0.71 0.00 0.00 54.79 56.81 1j5c n ASP 51 Cb 0.36 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 1j5c n ASP 51 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1j5c h THR 52 N 0.00 0.13 -0.16 -3.53 2.02 -1.97 0.97 112.91 110.37 1j5c h THR 52 Ca 0.11 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.34 1j5c h THR 52 Cb 0.28 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1j5c h THR 52 CO -0.65 0.00 0.24 0.00 0.37 0.00 0.00 175.52 175.48 1j5c h ALA 53 N 0.36 1.66 -0.18 6.16 0.00 0.31 0.54 119.26 128.11 1j5c h ALA 53 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1j5c h ALA 53 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1j5c h ALA 53 CO -0.52 -0.32 -0.42 0.00 0.00 0.00 0.00 179.25 177.99 1j5c h ALA 54 N 1.67 0.95 0.00 0.00 0.00 0.93 1.35 119.26 124.17 1j5c h ALA 54 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1j5c h ALA 54 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j5c h ALA 54 CO -0.00 0.63 -0.20 1.63 0.00 0.00 0.00 179.25 181.31 1j5c n LYS 55 N -4.02 0.01 0.00 0.00 5.02 0.18 -3.10 118.16 116.25 1j5c n LYS 55 Ca -0.02 0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1j5c n LYS 55 Cb 0.51 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 1j5c n LYS 55 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j5c n LEU 56 N -1.53 1.00 -4.54 -0.35 4.77 -0.63 -4.67 117.00 111.04 1j5c n LEU 56 Ca 0.06 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.95 1j5c n LEU 56 Cb 0.34 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1j5c n LEU 56 CO 0.30 0.21 0.22 -0.55 -1.33 0.00 0.00 177.39 176.24 1j5c s SER 57 N -1.57 6.29 -0.54 -1.43 0.15 0.46 -4.49 113.70 112.57 1j5c s SER 57 Ca 0.07 -0.14 -0.23 0.00 0.70 0.00 0.00 55.95 56.35 1j5c s SER 57 Cb 0.08 -2.26 0.05 0.00 -1.71 0.00 0.00 66.02 62.18 1j5c s SER 57 CO 0.31 -0.51 0.85 -1.00 1.20 0.00 0.00 173.24 174.09 1j5c s HIS 58 N 2.38 2.86 0.26 3.44 3.76 0.63 -4.82 115.29 123.79 1j5c s HIS 58 Ca 0.18 -0.19 -0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1j5c s HIS 58 Cb -0.16 -3.93 0.40 0.00 1.11 0.00 0.00 32.58 30.01 1j5c s HIS 58 CO 0.14 -1.27 1.85 0.87 -0.85 0.00 0.00 174.74 175.48 1j5c h LYS 59 N 9.23 0.98 0.00 1.40 1.57 -1.94 -2.39 116.57 125.42 1j5c h LYS 59 Ca -0.27 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1j5c h LYS 59 Cb 1.08 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1j5c h LYS 59 CO 1.06 0.65 0.00 0.41 -0.57 0.00 0.00 179.45 181.00 1j5c n GLY 60 N -1.34 0.14 1.71 3.86 0.00 -1.26 -4.60 105.19 103.70 1j5c n GLY 60 Ca 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.87 -4.15 0.99 0.00 -1.26 -4.96 117.00 106.75 1j5c n LEU 61 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.68 1j5c n LEU 61 Cb 0.00 -0.43 -0.15 0.00 0.00 0.00 0.00 43.42 42.84 1j5c n LEU 61 CO 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 177.39 176.93 1j5c s ALA 62 N -2.01 2.56 0.00 1.96 0.00 -1.26 -4.82 121.76 118.19 1j5c s ALA 62 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1j5c s ALA 62 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1j5c s ALA 62 CO 0.00 -0.76 0.00 1.97 0.00 0.00 0.00 175.76 176.97 1j5c n PHE 63 N 4.60 -0.34 -2.81 0.00 -1.74 -1.26 -4.04 117.46 111.88 1j5c n PHE 63 Ca -0.17 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.29 1j5c n PHE 63 Cb 0.47 0.07 -0.04 0.00 1.52 0.00 0.00 39.48 41.50 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 -1.17 3.13 -0.39 1.98 0.00 -1.26 -4.80 121.76 119.25 1j5c s ALA 64 Ca 0.00 -1.28 -0.39 0.00 0.00 0.00 0.00 51.96 50.29 1j5c s ALA 64 Cb 0.00 -3.79 -0.15 0.00 0.00 0.00 0.00 23.12 19.18 1j5c s ALA 64 CO 0.00 -2.49 2.07 0.00 0.00 0.00 0.00 175.76 175.34 1j5c n ALA 65 N 7.64 0.49 0.00 0.00 0.00 -1.25 -2.63 120.51 124.76 1j5c n ALA 65 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1j5c n ALA 65 Cb 0.47 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 6.32 2.30 3.58 0.00 0.00 -1.26 -5.05 105.19 111.07 1j5c n GLY 66 Ca 0.42 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 3.28 -0.03 1.61 2.02 -1.08 -4.90 118.70 119.60 1j5c s GLU 67 Ca 0.00 0.61 0.01 0.00 0.02 0.00 0.00 54.97 55.61 1j5c s GLU 67 Cb 0.00 -4.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 1j5c s GLU 67 CO 0.00 -1.95 -0.01 -1.12 0.02 0.00 0.00 175.26 172.20 1j5c s SER 68 N 4.82 5.06 0.45 -0.19 0.01 -1.26 -3.95 113.70 118.65 1j5c s SER 68 Ca 0.57 0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.91 1j5c s SER 68 Cb -0.12 -1.33 0.01 0.00 0.21 0.00 0.00 66.02 64.79 1j5c s SER 68 CO 0.26 0.31 0.63 -0.36 0.41 0.00 0.00 173.24 174.49 1j5c s PHE 69 N -1.00 2.87 -0.02 2.43 0.08 -0.89 -4.94 117.98 116.51 1j5c s PHE 69 Ca 0.17 -0.24 -0.08 0.00 0.12 0.00 0.00 56.93 56.90 1j5c s PHE 69 Cb -0.11 -2.45 0.01 0.00 -0.57 0.00 0.00 43.02 39.89 1j5c s PHE 69 CO 0.07 -0.51 0.18 0.99 -0.10 0.00 0.00 175.22 175.84 1j5c s THR 70 N -2.46 0.05 -0.10 0.64 2.01 -1.26 -2.26 115.64 112.26 1j5c s THR 70 Ca 0.54 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 1j5c s THR 70 Cb -0.10 -0.40 0.05 0.00 0.01 0.00 0.00 72.50 72.06 1j5c s THR 70 CO 0.35 -0.24 0.22 -0.94 -0.69 0.00 0.00 174.62 173.31 1j5c s SER 71 N -0.88 0.03 -0.13 3.53 1.04 -0.86 -4.94 113.70 111.49 1j5c s SER 71 Ca -0.10 0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.76 1j5c s SER 71 Cb -0.05 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1j5c s SER 71 CO 0.01 -0.19 0.03 -0.89 0.98 0.00 0.00 173.24 173.19 1j5c s THR 72 N 1.62 4.55 -0.41 2.02 2.01 -1.26 0.58 115.64 124.74 1j5c s THR 72 Ca -0.05 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 1j5c s THR 72 Cb -0.11 -2.98 0.11 0.00 0.01 0.00 0.00 72.50 69.53 1j5c s THR 72 CO -0.08 0.55 0.20 -0.36 -0.69 0.00 0.00 174.62 174.24 1j5c s PHE 73 N -0.34 3.59 -1.82 4.92 0.08 -0.42 -4.89 117.98 119.10 1j5c s PHE 73 Ca 0.08 -2.48 0.27 0.00 0.12 0.00 0.00 56.93 54.92 1j5c s PHE 73 Cb -0.12 -3.20 0.96 0.00 -0.57 0.00 0.00 43.02 40.08 1j5c s PHE 73 CO 0.02 -0.97 1.69 2.41 -0.10 0.00 0.00 175.22 178.27 1j5c n THR 74 N 4.51 0.00 -5.11 0.64 -1.04 -1.26 0.15 114.28 112.18 1j5c n THR 74 Ca -0.01 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.05 61.56 1j5c n THR 74 Cb 0.41 0.24 -0.15 0.00 -1.82 0.00 0.00 70.33 69.01 1j5c n THR 74 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1j5c s GLU 75 N -2.42 2.70 0.19 -2.82 2.56 -1.26 -4.67 118.70 112.97 1j5c s GLU 75 Ca 0.28 -0.83 -0.30 0.00 0.00 0.00 0.00 54.97 54.12 1j5c s GLU 75 Cb 0.20 -2.29 -0.08 0.00 2.00 0.00 0.00 34.13 33.96 1j5c s GLU 75 CO 0.48 0.39 1.11 -1.25 -0.56 0.00 0.00 175.26 175.44 1j5c s PRO 76 N -0.17 4.59 0.00 4.30 0.04 -1.26 -4.87 135.00 137.62 1j5c s PRO 76 Ca -0.02 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1j5c s PRO 76 Cb -0.14 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1j5c s PRO 76 CO 0.04 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1j5c n GLY 77 N 1.97 -2.20 3.27 0.56 0.00 -0.64 -4.98 105.19 103.17 1j5c n GLY 77 Ca 0.02 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.28 2.51 0.30 2.61 2.01 -1.26 0.25 115.64 119.78 1j5c s THR 78 Ca 0.00 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.23 1j5c s THR 78 Cb 0.00 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1j5c s THR 78 CO 0.00 0.54 0.14 -0.31 -0.69 0.00 0.00 174.62 174.30 1j5c s TYR 79 N 0.48 2.82 -0.04 4.92 1.51 -0.35 -4.90 117.35 121.78 1j5c s TYR 79 Ca -0.13 -0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 55.59 1j5c s TYR 79 Cb -0.17 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1j5c s TYR 79 CO 0.05 0.42 0.18 0.99 -1.11 0.00 0.00 175.55 176.08 1j5c s THR 80 N -2.32 0.03 -0.02 -0.71 2.01 -1.26 0.31 115.64 113.68 1j5c s THR 80 Ca 0.36 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1j5c s THR 80 Cb -0.05 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1j5c s THR 80 CO 0.23 -0.16 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.24 1j5c s TYR 81 N -0.54 0.55 -0.09 4.92 -0.85 -0.58 -0.97 117.35 119.79 1j5c s TYR 81 Ca -0.06 -0.11 0.04 0.00 -0.52 0.00 0.00 57.07 56.41 1j5c s TYR 81 Cb -0.04 -0.46 -0.01 0.00 0.38 0.00 0.00 41.96 41.83 1j5c s TYR 81 CO 0.01 -0.10 -0.22 1.52 -1.52 0.00 0.00 175.55 175.25 1j5c s TYR 82 N 0.47 2.58 -0.91 -3.49 1.13 -0.95 -3.12 117.35 113.06 1j5c s TYR 82 Ca -0.05 -0.82 -0.09 0.00 -1.41 0.00 0.00 57.07 54.69 1j5c s TYR 82 Cb -0.09 -1.70 0.23 0.00 -1.10 0.00 0.00 41.96 39.30 1j5c s TYR 82 CO -0.00 -0.28 0.84 0.00 -2.51 0.00 0.00 175.55 173.59 1j5c h GLU 84 N 7.06 0.00 -5.17 0.00 4.39 -1.90 -3.40 114.58 115.56 1j5c h GLU 84 Ca 0.12 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.25 1j5c h GLU 84 Cb 0.94 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 1j5c h GLU 84 CO 0.85 0.28 2.02 -0.35 -1.16 0.00 0.00 179.01 180.64 1j5c n PRO 85 N -4.71 2.33 -2.69 2.33 -0.04 -1.26 -4.19 135.00 126.76 1j5c n PRO 85 Ca -0.04 -2.65 -0.06 0.00 -0.04 0.00 0.00 63.50 60.71 1j5c n PRO 85 Cb 0.16 -3.43 0.08 0.00 -0.04 0.00 0.00 33.50 30.27 1j5c n PRO 85 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1j5c n HIS 86 N 9.75 -1.64 0.00 0.54 1.44 -1.26 -4.34 115.22 119.71 1j5c n HIS 86 Ca 0.48 -1.43 0.00 0.00 -2.01 0.00 0.00 57.72 54.76 1j5c n HIS 86 Cb 0.44 1.42 0.00 0.00 0.12 0.00 0.00 29.99 31.97 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1j5c n ARG 87 N 0.04 0.00 0.00 -1.40 0.63 -1.26 -4.75 116.66 109.91 1j5c n ARG 87 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1j5c n ARG 87 Cb 0.74 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.65 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j5c n GLY 88 N 0.00 1.73 0.60 5.14 0.00 -1.26 -5.10 105.19 106.31 1j5c n GLY 88 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 2.60 0.00 0.00 4.61 0.00 -1.26 -5.09 120.51 121.37 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 -1.27 0.26 3.02 0.00 0.00 -1.26 -5.12 105.19 100.81 1j5c n GLY 90 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.06 0.00 1.61 0.00 -1.26 -4.75 119.30 116.96 1j5c s MET 91 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 55.69 55.20 1j5c s MET 91 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 34.83 33.01 1j5c s MET 91 CO 0.00 -0.12 0.00 1.33 0.00 0.00 0.00 175.02 176.23 1j5c n VAL 92 N 4.38 0.00 0.00 10.11 0.24 -1.26 -2.44 118.33 129.36 1j5c n VAL 92 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1j5c n VAL 92 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j5c n GLY 93 N 0.00 4.24 2.99 7.63 0.00 -1.18 -4.76 105.19 114.11 1j5c n GLY 93 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 1j5c n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5c s LYS 94 N -3.07 0.38 0.23 1.61 -2.85 -1.06 -1.53 119.74 113.45 1j5c s LYS 94 Ca 0.00 -0.42 0.09 0.00 -1.00 0.00 0.00 55.97 54.64 1j5c s LYS 94 Cb 0.00 -0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.49 1j5c s LYS 94 CO 0.00 0.05 -0.06 0.08 0.10 0.00 0.00 175.35 175.52 1j5c s VAL 95 N -0.74 3.28 -0.09 1.79 1.01 0.15 -3.59 120.40 122.21 1j5c s VAL 95 Ca -0.05 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.12 1j5c s VAL 95 Cb -0.06 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1j5c s VAL 95 CO -0.00 -0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.05 1j5c s VAL 96 N -2.05 1.10 -0.19 2.92 1.01 -1.08 -1.21 120.40 120.90 1j5c s VAL 96 Ca 0.28 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1j5c s VAL 96 Cb -0.07 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1j5c s VAL 96 CO 0.17 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 1j5c s VAL 97 N 1.07 2.53 0.00 2.92 1.01 0.14 -0.81 120.40 127.27 1j5c s VAL 97 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1j5c s VAL 97 Cb -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1j5c s VAL 97 CO -0.01 0.50 0.41 -0.67 0.00 0.00 0.00 175.10 175.33