#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 7.10 0.01 0.00 2.20 -1.26 -4.00 114.94 118.98 1j5c s ASN 2 Ca 0.00 2.11 -0.01 0.00 -0.94 0.00 0.00 52.86 54.02 1j5c s ASN 2 Cb 0.00 -2.60 -0.01 0.00 -2.00 0.00 0.00 41.25 36.63 1j5c s ASN 2 CO 0.00 -0.25 -0.00 0.00 -2.94 0.00 0.00 177.10 173.90 1j5c s ALA 3 N -1.40 0.04 0.06 3.54 0.00 -1.25 -4.96 121.76 117.79 1j5c s ALA 3 Ca 0.50 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1j5c s ALA 3 Cb -0.26 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1j5c s ALA 3 CO 0.33 -0.14 -0.06 -0.08 0.00 0.00 0.00 175.76 175.82 1j5c s THR 4 N -1.17 0.46 -0.05 0.00 -1.32 -1.26 -1.39 115.64 110.92 1j5c s THR 4 Ca -0.13 -1.53 -0.04 0.00 -1.21 0.00 0.00 61.69 58.78 1j5c s THR 4 Cb -0.08 -1.16 0.02 0.00 -1.51 0.00 0.00 72.50 69.77 1j5c s THR 4 CO -0.01 -0.72 0.12 -0.69 -2.21 0.00 0.00 174.62 171.12 1j5c s VAL 5 N -2.78 -0.01 -0.40 5.08 1.01 -0.55 -4.60 120.40 118.15 1j5c s VAL 5 Ca 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1j5c s VAL 5 Cb -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.21 1j5c s VAL 5 CO -0.04 0.01 0.33 -1.59 0.00 0.00 0.00 175.10 173.81 1j5c s LYS 6 N 0.26 3.10 0.00 2.72 0.00 -1.25 -1.53 119.74 123.05 1j5c s LYS 6 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 55.97 55.07 1j5c s LYS 6 Cb -0.03 -3.95 0.00 0.00 0.00 0.00 0.00 37.83 33.86 1j5c s LYS 6 CO -0.01 -0.72 0.73 -1.33 0.00 0.00 0.00 175.35 174.01 1j5c n MET 7 N 5.27 0.00 -2.20 1.78 2.81 -0.53 -4.49 117.12 119.77 1j5c n MET 7 Ca -0.10 0.73 -0.27 0.00 -1.81 0.00 0.00 57.70 56.24 1j5c n MET 7 Cb 0.48 -1.12 0.15 0.00 -0.71 0.00 0.00 33.22 32.01 1j5c n MET 7 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1j5c s GLY 8 N -0.84 1.76 -0.05 3.03 0.00 -1.25 -4.08 107.32 105.89 1j5c s GLY 8 Ca 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.33 1j5c s GLY 8 CO 0.00 -0.71 0.10 -0.56 0.00 0.00 0.00 173.10 171.93 1j5c s SER 9 N -4.80 -0.05 -0.60 1.64 0.01 -0.61 -4.62 113.70 104.67 1j5c s SER 9 Ca 0.70 0.20 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1j5c s SER 9 Cb -0.05 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1j5c s SER 9 CO 0.49 -0.13 0.00 -0.67 0.41 0.00 0.00 173.24 173.34 1j5c n ASP 10 N 4.05 -5.87 -3.82 2.44 2.03 -1.26 -1.78 116.55 112.34 1j5c n ASP 10 Ca -0.25 0.14 -0.25 0.00 0.52 0.00 0.00 54.79 54.94 1j5c n ASP 10 Cb 0.52 -3.87 0.01 0.00 -0.72 0.00 0.00 41.12 37.06 1j5c n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1j5c n SER 11 N -1.10 -1.62 0.00 1.67 2.88 -1.26 -4.67 113.62 109.52 1j5c n SER 11 Ca -0.06 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1j5c n SER 11 Cb 0.55 -3.41 0.00 0.00 -0.75 0.00 0.00 64.21 60.60 1j5c n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j5c n GLY 12 N -1.80 -0.12 3.88 0.46 0.00 -0.96 -4.89 105.19 101.76 1j5c n GLY 12 Ca -0.26 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.48 3.80 -0.44 4.61 0.00 -0.73 -4.94 121.76 122.58 1j5c s ALA 13 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 1j5c s ALA 13 Cb 0.00 -2.14 0.08 0.00 0.00 0.00 0.00 23.12 21.06 1j5c s ALA 13 CO 0.00 0.64 0.32 -1.17 0.00 0.00 0.00 175.76 175.54 1j5c s LEU 14 N -2.09 5.36 0.00 0.00 2.96 -1.26 -1.57 118.68 122.08 1j5c s LEU 14 Ca 0.33 -1.45 -0.00 0.00 -0.22 0.00 0.00 54.13 52.79 1j5c s LEU 14 Cb -0.13 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1j5c s LEU 14 CO 0.20 -0.59 0.01 1.33 -1.32 0.00 0.00 176.35 175.98 1j5c n VAL 15 N 5.03 0.00 -3.51 1.68 0.24 -1.26 -5.01 118.33 115.50 1j5c n VAL 15 Ca -0.11 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.34 61.98 1j5c n VAL 15 Cb 0.43 0.02 -0.13 0.00 -1.47 0.00 0.00 33.84 32.69 1j5c n VAL 15 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1j5c s PHE 16 N -5.03 -0.27 -0.03 6.34 -0.71 -1.26 -4.38 117.98 112.64 1j5c s PHE 16 Ca 0.01 0.27 -0.04 0.00 -1.04 0.00 0.00 56.93 56.12 1j5c s PHE 16 Cb -0.00 -0.35 0.01 0.00 -1.21 0.00 0.00 43.02 41.47 1j5c s PHE 16 CO 0.00 -0.57 0.10 -1.83 -1.34 0.00 0.00 175.22 171.59 1j5c s GLU 17 N 2.33 0.19 0.13 1.99 -1.05 -1.26 -2.63 118.70 118.40 1j5c s GLU 17 Ca 0.06 0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 54.61 1j5c s GLU 17 Cb -0.15 0.08 -0.07 0.00 -0.44 0.00 0.00 34.13 33.55 1j5c s GLU 17 CO -0.11 -0.03 1.14 -1.25 0.95 0.00 0.00 175.26 175.95 1j5c s PRO 18 N -0.23 4.53 0.22 -4.83 0.04 -1.26 -3.74 135.00 129.72 1j5c s PRO 18 Ca -0.03 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1j5c s PRO 18 Cb -0.02 -3.30 0.27 0.00 0.04 0.00 0.00 34.50 31.48 1j5c s PRO 18 CO 0.00 -0.05 1.41 -1.13 0.04 0.00 0.00 177.00 177.27 1j5c n SER 19 N 2.93 -0.53 -4.54 6.66 3.41 -1.08 -4.35 113.62 116.12 1j5c n SER 19 Ca 0.05 1.58 -0.29 0.00 -0.26 0.00 0.00 58.87 59.95 1j5c n SER 19 Cb 0.46 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 1j5c n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5c s THR 20 N -5.93 3.14 0.08 6.66 2.01 -1.26 -1.81 115.64 118.52 1j5c s THR 20 Ca -0.13 -1.44 -0.01 0.00 0.31 0.00 0.00 61.69 60.42 1j5c s THR 20 Cb 0.20 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1j5c s THR 20 CO 0.66 0.06 0.01 0.68 -0.69 0.00 0.00 174.62 175.34 1j5c s VAL 21 N -1.29 0.18 -0.11 3.82 -7.23 -1.23 -5.03 120.40 109.51 1j5c s VAL 21 Ca 0.21 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1j5c s VAL 21 Cb -0.10 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1j5c s VAL 21 CO 0.13 -0.81 0.04 0.42 -0.31 0.00 0.00 175.10 174.56 1j5c s THR 22 N -3.96 4.63 0.11 5.32 -4.23 -1.26 -2.73 115.64 113.51 1j5c s THR 22 Ca 0.12 -0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1j5c s THR 22 Cb 0.08 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 1j5c s THR 22 CO -0.06 0.59 0.16 -0.51 -0.54 0.00 0.00 174.62 174.26 1j5c s ILE 23 N -0.71 0.13 0.23 2.99 -1.16 0.42 -4.42 121.20 118.68 1j5c s ILE 23 Ca 0.12 -1.45 0.09 0.00 -0.51 0.00 0.00 60.65 58.90 1j5c s ILE 23 Cb -0.12 -1.62 -0.04 0.00 0.61 0.00 0.00 42.46 41.29 1j5c s ILE 23 CO 0.02 -0.58 0.01 -0.54 -2.81 0.00 0.00 174.94 171.05 1j5c s LYS 24 N -3.93 2.36 -0.56 3.50 -0.14 -1.26 -1.40 119.74 118.31 1j5c s LYS 24 Ca 0.12 -1.29 -0.27 0.00 -1.36 0.00 0.00 55.97 53.17 1j5c s LYS 24 Cb 0.05 -2.25 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1j5c s LYS 24 CO -0.06 0.40 1.84 0.00 -0.76 0.00 0.00 175.35 176.77 1j5c s ALA 25 N -2.10 2.30 0.00 5.17 0.00 -1.21 -1.40 121.76 124.52 1j5c s ALA 25 Ca 0.30 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1j5c s ALA 25 Cb -0.07 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.79 1j5c s ALA 25 CO 0.20 -3.67 0.00 0.41 0.00 0.00 0.00 175.76 172.69 1j5c n GLY 26 N 5.64 1.96 3.41 0.00 0.00 0.37 -4.96 105.19 111.60 1j5c n GLY 26 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.08 -4.28 1.61 -0.58 -0.49 -4.56 120.64 110.26 1j5c n GLU 27 Ca 0.00 -1.76 -0.16 0.00 -0.42 0.00 0.00 57.16 54.82 1j5c n GLU 27 Cb 0.00 -1.39 -0.10 0.00 -0.57 0.00 0.00 31.44 29.38 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 -5.50 1.43 0.19 3.49 -1.05 -1.26 0.81 118.70 116.82 1j5c s GLU 28 Ca 0.68 -1.79 0.04 0.00 -0.15 0.00 0.00 54.97 53.75 1j5c s GLU 28 Cb -0.04 0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.63 1j5c s GLU 28 CO 0.50 -0.41 -0.06 0.08 0.95 0.00 0.00 175.26 176.31 1j5c s VAL 29 N -3.81 1.16 -0.10 1.83 1.01 0.30 -3.82 120.40 116.97 1j5c s VAL 29 Ca 0.38 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1j5c s VAL 29 Cb 0.06 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1j5c s VAL 29 CO 0.16 -0.55 -0.09 -0.75 0.00 0.00 0.00 175.10 173.86 1j5c s LYS 30 N -3.79 1.64 -0.46 2.72 2.20 -0.49 -2.21 119.74 119.35 1j5c s LYS 30 Ca 0.22 -0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 55.43 1j5c s LYS 30 Cb 0.04 -1.58 0.12 0.00 -1.51 0.00 0.00 37.83 34.90 1j5c s LYS 30 CO 0.05 -0.18 0.32 -1.58 -0.36 0.00 0.00 175.35 173.59 1j5c s TRP 31 N 1.39 3.47 0.16 4.03 0.51 -1.06 -1.48 118.94 125.95 1j5c s TRP 31 Ca -0.01 -2.01 -0.16 0.00 -2.12 0.00 0.00 56.10 51.80 1j5c s TRP 31 Cb -0.13 -3.44 -0.07 0.00 -0.81 0.00 0.00 33.47 29.01 1j5c s TRP 31 CO -0.05 -0.99 0.60 0.08 -0.51 0.00 0.00 176.95 176.08 1j5c s VAL 32 N 1.29 4.76 0.07 4.03 1.01 -0.58 -3.06 120.40 127.92 1j5c s VAL 32 Ca 0.07 1.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.82 1j5c s VAL 32 Cb -0.25 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1j5c s VAL 32 CO -0.02 0.28 0.71 0.21 0.00 0.00 0.00 175.10 176.28 1j5c s ASN 33 N -1.61 7.19 -0.11 3.32 2.47 -1.26 -1.45 114.94 123.49 1j5c s ASN 33 Ca 0.38 1.42 -0.09 0.00 0.42 0.00 0.00 52.86 54.99 1j5c s ASN 33 Cb -0.16 -2.44 -0.05 0.00 -1.45 0.00 0.00 41.25 37.15 1j5c s ASN 33 CO 0.20 0.12 -0.20 -3.20 -3.72 0.00 0.00 177.10 170.30 1j5c n ASN 34 N 2.30 1.34 -1.06 -4.21 2.85 -1.26 -4.53 115.26 110.69 1j5c n ASN 34 Ca -0.05 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 1j5c n ASN 34 Cb 0.50 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 41.01 1j5c n ASN 34 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1j5c n LYS 35 N -3.87 0.00 -3.00 1.20 4.81 -1.26 -4.73 118.16 111.31 1j5c n LYS 35 Ca -0.20 -0.01 -0.13 0.00 -0.87 0.00 0.00 58.31 57.10 1j5c n LYS 35 Cb 0.52 0.02 0.06 0.00 0.02 0.00 0.00 35.03 35.65 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 -4.30 -4.91 3.14 7.99 -1.26 -3.88 117.00 113.79 1j5c n LEU 36 Ca 0.00 -0.53 -0.27 0.00 -0.01 0.00 0.00 56.01 55.20 1j5c n LEU 36 Cb 0.01 -2.62 0.01 0.00 -0.11 0.00 0.00 43.42 40.71 1j5c n LEU 36 CO 0.00 0.18 0.49 -0.94 -1.51 0.00 0.00 177.39 175.61 1j5c s SER 37 N -3.67 6.09 1.08 -1.43 1.04 -1.26 -4.48 113.70 111.07 1j5c s SER 37 Ca 0.19 0.91 -0.17 0.00 0.48 0.00 0.00 55.95 57.36 1j5c s SER 37 Cb -0.03 -2.13 0.24 0.00 0.10 0.00 0.00 66.02 64.21 1j5c s SER 37 CO 0.58 -0.73 1.22 -2.16 0.98 0.00 0.00 173.24 173.13 1j5c s PRO 38 N -4.84 -0.25 -0.11 4.02 0.04 -1.26 -4.92 135.00 127.68 1j5c s PRO 38 Ca 0.50 -0.23 -0.06 0.00 0.04 0.00 0.00 61.00 61.25 1j5c s PRO 38 Cb -0.10 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.76 1j5c s PRO 38 CO 0.46 -3.04 0.27 -1.01 0.04 0.00 0.00 177.00 173.72 1j5c s HIS 39 N -3.45 -0.37 -0.09 0.56 3.76 -0.61 -4.83 115.29 110.25 1j5c s HIS 39 Ca 0.72 0.86 0.00 0.00 -0.15 0.00 0.00 55.06 56.50 1j5c s HIS 39 Cb -0.07 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.72 1j5c s HIS 39 CO 0.54 -0.25 -0.09 -0.80 -0.85 0.00 0.00 174.74 173.30 1j5c s ASN 40 N 1.27 1.97 -1.09 1.40 -0.87 -1.26 -0.72 114.94 115.64 1j5c s ASN 40 Ca -0.09 -0.29 -0.04 0.00 -1.57 0.00 0.00 52.86 50.87 1j5c s ASN 40 Cb -0.10 -0.81 0.30 0.00 -0.02 0.00 0.00 41.25 40.62 1j5c s ASN 40 CO -0.09 -0.07 1.61 -0.38 -2.57 0.00 0.00 177.10 175.60 1j5c n ILE 41 N 4.53 5.44 -2.67 0.60 5.41 -1.26 -4.23 119.36 127.18 1j5c n ILE 41 Ca -0.16 -5.81 -0.40 0.00 1.00 0.00 0.00 62.75 57.37 1j5c n ILE 41 Cb 0.51 -1.99 -0.05 0.00 -0.71 0.00 0.00 39.64 37.40 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 -2.85 4.08 -0.11 1.39 1.01 -1.24 -1.86 120.40 120.81 1j5c s VAL 42 Ca 0.34 1.93 -0.01 0.00 0.00 0.00 0.00 61.98 64.24 1j5c s VAL 42 Cb 0.08 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1j5c s VAL 42 CO 0.05 0.40 -0.08 -0.36 0.00 0.00 0.00 175.10 175.11 1j5c s PHE 43 N -0.71 2.93 0.55 5.22 0.40 -1.26 -2.01 117.98 123.10 1j5c s PHE 43 Ca 0.44 -0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1j5c s PHE 43 Cb -0.27 -1.82 -0.00 0.00 0.51 0.00 0.00 43.02 41.44 1j5c s PHE 43 CO 0.33 0.07 0.85 0.00 0.70 0.00 0.00 175.22 177.17 1j5c s ALA 44 N -0.12 3.38 -0.81 5.36 0.00 -0.27 -4.70 121.76 124.59 1j5c s ALA 44 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1j5c s ALA 44 Cb -0.13 -2.54 0.24 0.00 0.00 0.00 0.00 23.12 20.68 1j5c s ALA 44 CO 0.03 -0.66 0.83 0.00 0.00 0.00 0.00 175.76 175.96 1j5c n ALA 45 N -2.46 4.04 -1.09 0.00 0.00 -1.26 -4.52 120.51 115.22 1j5c n ALA 45 Ca 0.03 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.79 1j5c n ALA 45 Cb 0.57 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.60 0.00 -0.33 0.00 2.03 -1.26 -4.59 116.55 114.00 1j5c n ASP 46 Ca 0.25 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.66 1j5c n ASP 46 Cb 0.37 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.25 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 2.58 -0.26 3.42 0.27 0.00 -1.26 -4.83 105.19 105.11 1j5c n GLY 47 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.89 2.25 1.10 1.61 1.01 -1.26 -4.86 120.40 118.35 1j5c s VAL 48 Ca 0.32 -2.25 -0.12 0.00 0.00 0.00 0.00 61.98 59.93 1j5c s VAL 48 Cb 0.16 -2.17 0.25 0.00 0.00 0.00 0.00 36.38 34.62 1j5c s VAL 48 CO 0.26 -0.37 1.06 -1.81 0.00 0.00 0.00 175.10 174.23 1j5c s ASP 49 N -3.23 1.48 -0.07 3.32 1.11 -1.26 -4.65 116.67 113.37 1j5c s ASP 49 Ca 0.25 1.69 -0.16 0.00 0.18 0.00 0.00 52.55 54.52 1j5c s ASP 49 Cb -0.05 -2.37 -0.12 0.00 1.07 0.00 0.00 42.92 41.45 1j5c s ASP 49 CO 0.12 -3.92 0.60 0.00 1.18 0.00 0.00 175.17 173.14 1j5c h ALA 50 N -2.43 -0.19 -0.14 5.23 0.00 -1.97 -2.36 119.26 117.40 1j5c h ALA 50 Ca -0.57 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.20 1j5c h ALA 50 Cb 1.32 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1j5c h ALA 50 CO 0.48 -0.22 -0.31 -0.44 0.00 0.00 0.00 179.25 178.77 1j5c h ASP 51 N -0.96 -0.96 -0.90 0.00 3.32 -1.98 0.26 116.42 115.20 1j5c h ASP 51 Ca -0.02 0.14 0.16 0.00 0.02 0.00 0.00 57.03 57.34 1j5c h ASP 51 Cb 0.45 0.41 -0.10 0.00 0.22 0.00 0.00 39.33 40.31 1j5c h ASP 51 CO 0.03 -0.35 0.48 0.74 -1.72 0.00 0.00 179.24 178.43 1j5c h THR 52 N -0.38 0.71 -0.24 0.35 2.02 -1.95 0.52 112.91 113.94 1j5c h THR 52 Ca 0.10 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1j5c h THR 52 Cb 0.53 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1j5c h THR 52 CO -0.35 0.12 -0.10 0.00 0.37 0.00 0.00 175.52 175.56 1j5c h ALA 53 N 1.59 1.39 0.00 6.16 0.00 -0.43 0.37 119.26 128.33 1j5c h ALA 53 Ca 0.50 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1j5c h ALA 53 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1j5c h ALA 53 CO -0.38 0.42 -0.22 0.00 0.00 0.00 0.00 179.25 179.08 1j5c h ALA 54 N 1.54 1.12 0.08 0.00 0.00 0.33 1.57 119.26 123.90 1j5c h ALA 54 Ca 0.07 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 1j5c h ALA 54 Cb 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1j5c h ALA 54 CO 0.02 0.27 -1.43 0.87 0.00 0.00 0.00 179.25 178.98 1j5c h LYS 55 N 0.00 0.17 -0.00 0.00 1.57 0.34 -3.26 116.57 115.39 1j5c h LYS 55 Ca -0.00 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1j5c h LYS 55 Cb 0.61 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1j5c h LYS 55 CO 0.03 1.02 -0.51 1.28 -0.57 0.00 0.00 179.45 180.69 1j5c n LEU 56 N -3.38 0.68 -4.76 2.94 4.77 -0.03 -4.79 117.00 112.42 1j5c n LEU 56 Ca -0.13 -0.12 -0.40 0.00 -0.03 0.00 0.00 56.01 55.34 1j5c n LEU 56 Cb 1.02 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.86 1j5c n LEU 56 CO 0.49 0.16 0.54 -0.55 -1.33 0.00 0.00 177.39 176.69 1j5c s SER 57 N -2.90 7.42 -0.54 -1.43 0.15 0.53 -4.55 113.70 112.38 1j5c s SER 57 Ca 0.13 1.68 -0.16 0.00 0.70 0.00 0.00 55.95 58.31 1j5c s SER 57 Cb 0.18 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 62.09 1j5c s SER 57 CO 0.68 0.13 0.50 -1.00 1.20 0.00 0.00 173.24 174.75 1j5c s HIS 58 N -0.78 3.26 -0.48 3.44 3.76 -0.78 -4.87 115.29 118.83 1j5c s HIS 58 Ca 0.39 -1.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.02 1j5c s HIS 58 Cb -0.23 -3.80 0.47 0.00 1.11 0.00 0.00 32.58 30.14 1j5c s HIS 58 CO 0.27 -1.02 1.68 1.63 -0.85 0.00 0.00 174.74 176.45 1j5c n LYS 59 N 5.24 2.88 -0.09 1.40 4.76 -1.26 -4.06 118.16 127.02 1j5c n LYS 59 Ca -0.14 -3.56 -0.14 0.00 -2.87 0.00 0.00 58.31 51.60 1j5c n LYS 59 Cb 0.40 -2.22 -0.08 0.00 -1.84 0.00 0.00 35.03 31.29 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 -0.89 -0.25 0.00 0.72 0.00 -1.26 -5.13 105.19 98.38 1j5c n GLY 60 Ca 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.21 -1.41 -4.41 0.99 0.00 -1.26 -5.02 117.00 102.68 1j5c n LEU 61 Ca -0.32 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.37 1j5c n LEU 61 Cb 0.80 0.96 -0.14 0.00 0.00 0.00 0.00 43.42 45.04 1j5c n LEU 61 CO 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 177.39 177.06 1j5c s ALA 62 N -1.49 2.60 0.02 1.96 0.00 0.10 -4.99 121.76 119.95 1j5c s ALA 62 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 1j5c s ALA 62 Cb 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 1j5c s ALA 62 CO 0.00 0.42 -0.01 1.19 0.00 0.00 0.00 175.76 177.36 1j5c n PHE 63 N 2.87 0.00 -1.58 0.00 3.72 -1.26 -1.57 117.46 119.64 1j5c n PHE 63 Ca -0.18 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.92 1j5c n PHE 63 Cb 0.52 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.12 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 -2.09 2.51 -0.79 4.37 0.00 -1.26 -4.76 121.76 119.73 1j5c s ALA 64 Ca -0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 1j5c s ALA 64 Cb 0.00 -3.14 0.17 0.00 0.00 0.00 0.00 23.12 20.15 1j5c s ALA 64 CO 0.01 -1.43 0.83 0.00 0.00 0.00 0.00 175.76 175.18 1j5c s ALA 65 N -3.10 3.73 0.00 0.00 0.00 -1.26 -4.10 121.76 117.03 1j5c s ALA 65 Ca 0.59 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.64 1j5c s ALA 65 Cb -0.14 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1j5c s ALA 65 CO 0.55 -2.46 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1j5c n GLY 66 N 4.72 0.34 3.67 0.00 0.00 -1.26 -5.05 105.19 107.61 1j5c n GLY 66 Ca 0.10 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 4.31 0.26 1.61 0.41 -1.26 -4.94 118.70 119.10 1j5c s GLU 67 Ca 0.00 1.04 0.09 0.00 -0.41 0.00 0.00 54.97 55.69 1j5c s GLU 67 Cb 0.00 -3.57 -0.05 0.00 -1.78 0.00 0.00 34.13 28.73 1j5c s GLU 67 CO 0.00 -0.31 -0.13 -1.54 -0.49 0.00 0.00 175.26 172.79 1j5c s SER 68 N 1.14 3.03 0.46 -0.19 1.04 -1.26 -4.24 113.70 113.67 1j5c s SER 68 Ca 0.39 -1.09 0.05 0.00 0.48 0.00 0.00 55.95 55.78 1j5c s SER 68 Cb -0.17 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1j5c s SER 68 CO 0.13 -0.16 0.08 -0.36 0.98 0.00 0.00 173.24 173.91 1j5c s PHE 69 N -2.82 2.20 -0.00 5.02 0.08 -1.17 -4.99 117.98 116.29 1j5c s PHE 69 Ca 0.28 -0.78 -0.09 0.00 0.12 0.00 0.00 56.93 56.46 1j5c s PHE 69 Cb -0.00 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1j5c s PHE 69 CO 0.11 0.21 0.18 0.99 -0.10 0.00 0.00 175.22 176.62 1j5c s THR 70 N -2.76 0.07 -0.09 0.64 2.01 -1.26 -2.55 115.64 111.71 1j5c s THR 70 Ca 0.25 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 1j5c s THR 70 Cb 0.04 -0.46 0.04 0.00 0.01 0.00 0.00 72.50 72.13 1j5c s THR 70 CO 0.14 -0.34 0.21 -0.94 -0.69 0.00 0.00 174.62 173.00 1j5c s SER 71 N -1.30 -0.20 -0.32 3.53 1.04 -0.94 -4.96 113.70 110.55 1j5c s SER 71 Ca -0.14 0.43 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 1j5c s SER 71 Cb -0.07 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 1j5c s SER 71 CO 0.02 -0.16 0.25 -0.89 0.98 0.00 0.00 173.24 173.45 1j5c s THR 72 N 1.22 5.27 -0.75 2.02 2.01 -1.26 -0.54 115.64 123.61 1j5c s THR 72 Ca -0.09 -0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.60 1j5c s THR 72 Cb -0.11 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1j5c s THR 72 CO -0.07 0.04 1.23 -0.36 -0.69 0.00 0.00 174.62 174.77 1j5c s PHE 73 N 1.79 2.39 -0.47 4.92 0.40 0.24 -4.80 117.98 122.45 1j5c s PHE 73 Ca 0.08 -0.23 0.23 0.00 -0.60 0.00 0.00 56.93 56.42 1j5c s PHE 73 Cb -0.17 -4.57 0.23 0.00 0.51 0.00 0.00 43.02 39.03 1j5c s PHE 73 CO 0.11 -1.98 1.27 1.15 0.70 0.00 0.00 175.22 176.46 1j5c h THR 74 N 6.08 0.00 -3.40 0.64 2.02 -1.87 1.06 112.91 117.43 1j5c h THR 74 Ca -0.24 -0.73 -0.65 0.00 0.77 0.00 0.00 66.41 65.56 1j5c h THR 74 Cb 1.05 1.34 -0.25 0.00 -1.74 0.00 0.00 68.15 68.55 1j5c h THR 74 CO 1.27 0.00 -0.70 -0.70 0.37 0.00 0.00 175.52 175.76 1j5c s GLU 75 N -3.24 3.49 -1.04 6.66 -6.30 -1.26 -4.61 118.70 112.40 1j5c s GLU 75 Ca 0.04 -0.58 -0.23 0.00 -2.50 0.00 0.00 54.97 51.70 1j5c s GLU 75 Cb 0.11 -2.98 0.00 0.00 0.00 0.00 0.00 34.13 31.26 1j5c s GLU 75 CO 0.74 -0.04 1.73 -1.25 0.02 0.00 0.00 175.26 176.46 1j5c s PRO 76 N 1.08 3.14 0.00 4.30 0.04 -1.26 -4.81 135.00 137.48 1j5c s PRO 76 Ca 0.01 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1j5c s PRO 76 Cb -0.15 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1j5c s PRO 76 CO 0.00 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.59 1j5c n GLY 77 N 6.52 4.77 2.84 0.56 0.00 -1.26 -4.93 105.19 113.69 1j5c n GLY 77 Ca 0.39 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.04 1.38 0.18 2.61 2.01 -1.26 -2.11 115.64 118.41 1j5c s THR 78 Ca 0.00 -1.70 -0.29 0.00 0.31 0.00 0.00 61.69 60.02 1j5c s THR 78 Cb 0.00 -2.01 -0.08 0.00 0.01 0.00 0.00 72.50 70.42 1j5c s THR 78 CO 0.00 -0.61 0.89 -0.31 -0.69 0.00 0.00 174.62 173.90 1j5c s TYR 79 N 1.36 3.91 -0.02 4.92 1.51 -1.23 -4.72 117.35 123.08 1j5c s TYR 79 Ca 0.09 1.79 0.08 0.00 -1.01 0.00 0.00 57.07 58.02 1j5c s TYR 79 Cb -0.18 -2.94 -0.02 0.00 -0.11 0.00 0.00 41.96 38.72 1j5c s TYR 79 CO -0.18 0.40 -0.26 0.99 -1.11 0.00 0.00 175.55 175.39 1j5c s THR 80 N -0.82 2.04 0.04 -0.71 2.01 -1.26 -1.51 115.64 115.42 1j5c s THR 80 Ca 0.41 -1.10 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1j5c s THR 80 Cb -0.24 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1j5c s THR 80 CO 0.29 0.58 -0.04 -0.72 -0.69 0.00 0.00 174.62 174.05 1j5c s TYR 81 N -0.58 0.41 0.21 4.92 -0.85 -1.24 -1.11 117.35 119.10 1j5c s TYR 81 Ca 0.09 -0.72 -0.23 0.00 -0.52 0.00 0.00 57.07 55.69 1j5c s TYR 81 Cb -0.10 -0.29 0.05 0.00 0.38 0.00 0.00 41.96 41.99 1j5c s TYR 81 CO -0.01 -0.24 0.72 1.52 -1.52 0.00 0.00 175.55 176.02 1j5c s TYR 82 N -2.37 -0.30 0.13 -3.49 -0.85 -0.85 -4.26 117.35 105.36 1j5c s TYR 82 Ca -0.07 -0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.46 1j5c s TYR 82 Cb -0.03 0.65 0.02 0.00 0.38 0.00 0.00 41.96 42.97 1j5c s TYR 82 CO -0.04 -1.03 0.15 0.00 -1.52 0.00 0.00 175.55 173.11 1j5c n GLU 84 N -1.11 0.00 -0.82 0.00 -0.58 -1.03 -4.00 120.64 113.10 1j5c n GLU 84 Ca 0.02 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.62 1j5c n GLU 84 Cb 0.14 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.91 1j5c n GLU 84 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1j5c n PRO 85 N -3.08 1.85 -1.77 3.49 -0.04 -1.26 -4.71 135.00 129.48 1j5c n PRO 85 Ca 0.00 -1.03 -0.02 0.00 -0.04 0.00 0.00 63.50 62.41 1j5c n PRO 85 Cb 0.00 -2.07 0.01 0.00 -0.04 0.00 0.00 33.50 31.39 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 2.98 -1.15 -1.88 0.54 1.44 -1.26 -4.73 115.22 111.16 1j5c n HIS 86 Ca 0.40 -0.40 -0.38 0.00 -2.01 0.00 0.00 57.72 55.32 1j5c n HIS 86 Cb 0.55 0.20 0.03 0.00 0.12 0.00 0.00 29.99 30.89 1j5c n HIS 86 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1j5c s ARG 87 N -2.02 3.35 3.83 -1.40 1.81 -1.26 -4.68 118.95 118.58 1j5c s ARG 87 Ca 0.04 2.17 0.00 0.00 -1.72 0.00 0.00 55.73 56.22 1j5c s ARG 87 Cb -0.01 -2.36 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 1j5c s ARG 87 CO 0.02 -1.00 0.00 0.41 -0.68 0.00 0.00 175.30 174.06 1j5c n GLY 88 N 0.66 0.37 0.43 -3.53 0.00 -1.26 -4.72 105.19 97.13 1j5c n GLY 88 Ca 0.09 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 6.78 1.78 -3.62 4.61 0.00 -1.26 -4.95 120.51 123.85 1j5c n ALA 89 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1j5c n ALA 89 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.52 -0.03 0.70 0.00 0.00 -1.26 -2.45 107.32 101.77 1j5c s GLY 90 Ca 0.00 2.56 -0.15 0.00 0.00 0.00 0.00 44.72 47.14 1j5c s GLY 90 CO 0.00 1.07 1.15 1.06 0.00 0.00 0.00 173.10 176.38 1j5c s MET 91 N -1.09 2.45 -0.02 2.90 -1.94 -1.26 -4.66 119.30 115.68 1j5c s MET 91 Ca 0.06 1.54 0.12 0.00 -1.71 0.00 0.00 55.69 55.70 1j5c s MET 91 Cb -0.01 -1.89 -0.19 0.00 2.01 0.00 0.00 34.83 34.75 1j5c s MET 91 CO -0.05 -1.55 0.26 0.28 -0.01 0.00 0.00 175.02 173.95 1j5c n VAL 92 N -2.64 0.02 -1.26 -6.03 0.31 -1.26 -4.06 118.33 103.42 1j5c n VAL 92 Ca 0.12 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 1j5c n VAL 92 Cb 0.51 0.20 -0.02 0.00 -0.91 0.00 0.00 33.84 33.62 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 1.83 -1.89 3.21 2.92 0.00 -1.26 -4.77 105.19 105.24 1j5c n GLY 93 Ca -0.03 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1j5c n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5c s LYS 94 N -0.92 1.24 0.31 1.61 -2.85 -0.75 -3.70 119.74 114.68 1j5c s LYS 94 Ca 0.57 -1.66 0.09 0.00 -1.00 0.00 0.00 55.97 53.98 1j5c s LYS 94 Cb -0.77 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.20 1j5c s LYS 94 CO 0.53 -0.40 0.00 0.08 0.10 0.00 0.00 175.35 175.66 1j5c s VAL 95 N -4.10 2.91 -0.06 1.79 1.01 -0.57 -3.57 120.40 117.81 1j5c s VAL 95 Ca 0.39 -1.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.39 1j5c s VAL 95 Cb 0.07 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1j5c s VAL 95 CO 0.13 -0.27 0.11 -0.69 0.00 0.00 0.00 175.10 174.38 1j5c s VAL 96 N -2.45 -0.16 -0.34 2.92 1.01 -1.11 -3.53 120.40 116.75 1j5c s VAL 96 Ca 0.34 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 1j5c s VAL 96 Cb -0.03 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.17 1j5c s VAL 96 CO 0.20 0.14 0.10 -0.69 0.00 0.00 0.00 175.10 174.85 1j5c s VAL 97 N 2.00 3.74 -2.87 2.92 1.01 -0.90 -0.44 120.40 125.86 1j5c s VAL 97 Ca 0.01 -1.14 0.23 0.00 0.00 0.00 0.00 61.98 61.09 1j5c s VAL 97 Cb -0.12 -3.11 0.18 0.00 0.00 0.00 0.00 36.38 33.33 1j5c s VAL 97 CO -0.05 -0.17 1.23 -0.67 0.00 0.00 0.00 175.10 175.44