#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jzj s GLU 2 N 0.00 3.80 -0.35 0.00 -6.30 -1.26 -4.97 118.70 109.61 1jzj s GLU 2 Ca 0.00 0.02 0.06 0.00 -2.50 0.00 0.00 54.97 52.55 1jzj s GLU 2 Cb 0.00 -3.27 0.47 0.00 0.00 0.00 0.00 34.13 31.33 1jzj s GLU 2 CO 0.00 0.60 1.41 0.00 0.02 0.00 0.00 175.26 177.29 1jzj s SER 4 N -2.98 -0.32 -0.21 0.00 1.04 -1.26 -1.05 113.70 108.92 1jzj s SER 4 Ca 0.50 -0.39 -0.20 0.00 0.48 0.00 0.00 55.95 56.35 1jzj s SER 4 Cb 0.42 0.60 0.06 0.00 0.10 0.00 0.00 66.02 67.19 1jzj s SER 4 CO 0.01 -1.06 0.57 0.54 0.98 0.00 0.00 173.24 174.28 1jzj s VAL 5 N -3.85 -0.00 -0.25 5.02 0.11 -0.39 -4.94 120.40 116.11 1jzj s VAL 5 Ca 0.07 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 1jzj s VAL 5 Cb -0.01 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1jzj s VAL 5 CO -0.04 0.00 0.24 -1.81 -3.33 0.00 0.00 175.10 170.16 1jzj s ASP 6 N 0.31 6.16 -0.01 3.54 1.01 -1.26 -0.99 116.67 125.44 1jzj s ASP 6 Ca -0.00 0.17 0.08 0.00 0.71 0.00 0.00 52.55 53.51 1jzj s ASP 6 Cb -0.04 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 1jzj s ASP 6 CO 0.01 -0.03 -0.26 -0.63 0.21 0.00 0.00 175.17 174.47 1jzj s ILE 7 N 1.44 2.03 -0.06 0.77 1.01 -0.15 -4.95 121.20 121.29 1jzj s ILE 7 Ca 0.10 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 59.66 1jzj s ILE 7 Cb -0.15 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1jzj s ILE 7 CO 0.08 0.53 -0.18 -1.10 0.00 0.00 0.00 174.94 174.27 1jzj s GLN 8 N -0.70 2.59 -0.23 2.79 -0.21 -1.26 -1.34 119.66 121.29 1jzj s GLN 8 Ca 0.10 -0.77 0.02 0.00 0.02 0.00 0.00 55.36 54.73 1jzj s GLN 8 Cb -0.10 -2.33 0.05 0.00 1.00 0.00 0.00 33.01 31.63 1jzj s GLN 8 CO -0.00 0.51 -0.12 0.20 -2.12 0.00 0.00 175.29 173.75 1jzj s GLY 9 N -0.44 1.52 0.55 3.09 0.00 -0.64 -1.73 107.32 109.66 1jzj s GLY 9 Ca 0.05 -1.54 0.09 0.00 0.00 0.00 0.00 44.72 43.31 1jzj s GLY 9 CO 0.02 0.59 0.69 0.54 0.00 0.00 0.00 173.10 174.93 1jzj s ASN 10 N 1.21 5.05 0.00 1.64 2.20 -0.90 -3.37 114.94 120.76 1jzj s ASN 10 Ca -0.05 -0.89 0.13 0.00 -0.94 0.00 0.00 52.86 51.11 1jzj s ASN 10 Cb -0.18 0.23 0.74 0.00 -2.00 0.00 0.00 41.25 40.03 1jzj s ASN 10 CO -0.07 -1.23 1.26 0.47 -2.94 0.00 0.00 177.10 174.58 1jzj n ASP 11 N -2.10 0.00 -1.12 3.54 8.00 -1.22 -1.57 116.55 122.07 1jzj n ASP 11 Ca 0.11 -0.22 0.11 0.00 0.71 0.00 0.00 54.79 55.51 1jzj n ASP 11 Cb 0.62 -0.11 0.27 0.00 -0.02 0.00 0.00 41.12 41.88 1jzj n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jzj n GLN 12 N -1.11 2.43 -3.38 -1.24 1.13 -1.26 -4.95 117.38 109.00 1jzj n GLN 12 Ca 0.08 -2.20 -0.17 0.00 -1.94 0.00 0.00 57.00 52.78 1jzj n GLN 12 Cb 0.07 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 28.99 1jzj n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1jzj n MET 13 N 1.34 -4.54 -3.80 -1.09 1.56 -0.61 -5.02 117.12 104.95 1jzj n MET 13 Ca 0.20 0.83 -0.13 0.00 -0.27 0.00 0.00 57.70 58.34 1jzj n MET 13 Cb 0.55 -5.75 -0.13 0.00 2.15 0.00 0.00 33.22 30.04 1jzj n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1jzj s GLN 14 N -5.02 0.19 -0.00 2.12 -1.52 -1.25 -4.27 119.66 109.91 1jzj s GLN 14 Ca 0.20 0.26 -0.15 0.00 -1.95 0.00 0.00 55.36 53.73 1jzj s GLN 14 Cb -0.03 0.06 -0.06 0.00 -0.22 0.00 0.00 33.01 32.76 1jzj s GLN 14 CO 0.74 -0.04 0.43 -0.06 -0.25 0.00 0.00 175.29 176.11 1jzj s PHE 15 N 0.24 3.72 -1.40 0.91 0.08 -1.26 -2.12 117.98 118.16 1jzj s PHE 15 Ca -0.01 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1jzj s PHE 15 Cb -0.03 -2.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 1jzj s PHE 15 CO -0.01 0.61 0.54 0.27 -0.10 0.00 0.00 175.22 176.53 1jzj n ASN 16 N 1.93 0.46 -3.73 1.36 6.94 -0.71 -4.63 115.26 116.88 1jzj n ASN 16 Ca -0.13 -1.53 -0.12 0.00 -0.02 0.00 0.00 54.58 52.78 1jzj n ASN 16 Cb 0.52 -0.23 -0.11 0.00 -2.36 0.00 0.00 39.78 37.61 1jzj n ASN 16 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jzj s THR 17 N -1.40 -0.01 -0.77 5.53 2.01 -1.26 -4.97 115.64 114.77 1jzj s THR 17 Ca 0.00 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.13 1jzj s THR 17 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 1jzj s THR 17 CO 0.00 0.01 0.56 0.59 -0.69 0.00 0.00 174.62 175.10 1jzj n ASN 18 N 3.32 1.01 -3.69 3.53 3.02 -1.26 -4.81 115.26 116.37 1jzj n ASN 18 Ca -0.16 -1.00 -0.10 0.00 -0.03 0.00 0.00 54.58 53.28 1jzj n ASN 18 Cb 0.57 0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 40.22 1jzj n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jzj s ALA 19 N -1.43 -1.11 -0.05 5.41 0.00 -1.26 -1.37 121.76 121.96 1jzj s ALA 19 Ca 0.07 1.59 0.06 0.00 0.00 0.00 0.00 51.96 53.68 1jzj s ALA 19 Cb 0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1jzj s ALA 19 CO 0.27 -0.30 -0.25 0.42 0.00 0.00 0.00 175.76 175.90 1jzj s ILE 20 N 1.48 2.02 -0.17 0.00 1.01 0.15 -4.95 121.20 120.74 1jzj s ILE 20 Ca -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1jzj s ILE 20 Cb -0.08 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.69 1jzj s ILE 20 CO -0.13 0.56 -0.16 -0.89 0.00 0.00 0.00 174.94 174.32 1jzj s THR 21 N -0.25 2.51 -0.23 2.92 2.01 -1.26 -0.95 115.64 120.39 1jzj s THR 21 Ca -0.01 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1jzj s THR 21 Cb -0.13 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1jzj s THR 21 CO 0.03 0.51 0.09 -0.69 -0.69 0.00 0.00 174.62 173.87 1jzj s VAL 22 N 1.06 4.77 0.26 3.82 1.01 0.84 -4.95 120.40 127.20 1jzj s VAL 22 Ca -0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1jzj s VAL 22 Cb -0.14 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1jzj s VAL 22 CO -0.05 0.38 1.08 -0.62 0.00 0.00 0.00 175.10 175.89 1jzj s ASP 23 N 1.07 7.30 0.57 3.32 -1.08 -1.26 -0.47 116.67 126.13 1jzj s ASP 23 Ca 0.05 2.22 0.32 0.00 -0.52 0.00 0.00 52.55 54.62 1jzj s ASP 23 Cb -0.14 -2.62 1.75 0.00 -1.46 0.00 0.00 42.92 40.45 1jzj s ASP 23 CO 0.04 -0.12 2.17 0.11 0.52 0.00 0.00 175.17 177.89 1jzj h LYS 24 N 4.03 0.00 0.00 4.34 1.57 -1.94 -2.12 116.57 122.45 1jzj h LYS 24 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1jzj h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1jzj h LYS 24 CO 0.68 0.05 0.00 0.66 -0.57 0.00 0.00 179.45 180.27 1jzj h SER 25 N 0.00 0.00 -3.33 0.86 4.64 -1.95 -3.43 113.55 110.34 1jzj h SER 25 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1jzj h SER 25 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1jzj h SER 25 CO 0.01 0.00 0.50 0.00 -0.87 0.00 0.00 176.83 176.47 1jzj n LYS 27 N 3.53 0.65 -4.17 0.00 5.02 -1.26 -4.69 118.16 117.24 1jzj n LYS 27 Ca 0.07 0.19 -0.16 0.00 -2.02 0.00 0.00 58.31 56.39 1jzj n LYS 27 Cb 0.47 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 1jzj n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jzj s GLN 28 N -2.63 0.83 -0.01 1.97 -0.21 -1.26 -1.34 119.66 117.01 1jzj s GLN 28 Ca -0.06 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.30 1jzj s GLN 28 Cb 0.08 -0.68 -0.01 0.00 1.00 0.00 0.00 33.01 33.40 1jzj s GLN 28 CO 0.83 0.13 -0.08 0.12 -2.12 0.00 0.00 175.29 174.17 1jzj s PHE 29 N -1.83 0.74 -0.04 0.91 5.36 -0.23 -4.83 117.98 118.06 1jzj s PHE 29 Ca 0.01 -0.15 0.06 0.00 -0.96 0.00 0.00 56.93 55.90 1jzj s PHE 29 Cb -0.07 -0.47 -0.01 0.00 -0.34 0.00 0.00 43.02 42.13 1jzj s PHE 29 CO 0.01 -0.01 -0.23 0.99 -1.46 0.00 0.00 175.22 174.52 1jzj s THR 30 N -0.21 1.86 -0.19 0.12 2.01 -0.22 -0.91 115.64 118.10 1jzj s THR 30 Ca 0.03 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 1jzj s THR 30 Cb -0.03 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1jzj s THR 30 CO -0.00 0.52 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.61 1jzj s VAL 31 N -0.22 2.48 -0.46 3.82 1.01 -0.04 -1.26 120.40 125.73 1jzj s VAL 31 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1jzj s VAL 31 Cb -0.12 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.28 1jzj s VAL 31 CO 0.02 0.50 0.35 0.20 0.00 0.00 0.00 175.10 176.17 1jzj s ASN 32 N 1.32 5.87 -0.12 3.32 0.01 -0.16 -1.61 114.94 123.58 1jzj s ASN 32 Ca 0.05 -1.57 -0.14 0.00 -0.71 0.00 0.00 52.86 50.48 1jzj s ASN 32 Cb -0.13 -2.08 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 1jzj s ASN 32 CO -0.09 -0.64 0.34 -0.22 -1.51 0.00 0.00 177.10 174.97 1jzj s LEU 33 N 1.50 4.30 0.35 0.60 2.96 -0.01 -0.98 118.68 127.40 1jzj s LEU 33 Ca 0.04 0.64 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 1jzj s LEU 33 Cb -0.25 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 1jzj s LEU 33 CO 0.03 0.14 0.08 -0.94 -1.32 0.00 0.00 176.35 174.33 1jzj s SER 34 N 0.13 2.49 -0.37 3.68 1.04 -0.45 -1.84 113.70 118.39 1jzj s SER 34 Ca 0.19 -1.46 0.01 0.00 0.48 0.00 0.00 55.95 55.18 1jzj s SER 34 Cb -0.14 0.10 0.15 0.00 0.10 0.00 0.00 66.02 66.23 1jzj s SER 34 CO 0.07 -0.70 0.26 -2.28 0.98 0.00 0.00 173.24 171.57 1jzj s HIS 35 N -3.28 0.66 0.76 5.02 2.46 -1.23 -1.63 115.29 118.06 1jzj s HIS 35 Ca 0.32 -1.69 -0.13 0.00 0.47 0.00 0.00 55.06 54.04 1jzj s HIS 35 Cb 0.07 -0.84 0.05 0.00 -0.13 0.00 0.00 32.58 31.74 1jzj s HIS 35 CO 0.15 -0.85 1.14 -1.25 -2.47 0.00 0.00 174.74 171.46 1jzj s PRO 36 N 0.87 2.14 0.00 2.88 0.04 -1.22 -1.78 135.00 137.93 1jzj s PRO 36 Ca 0.22 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1jzj s PRO 36 Cb -0.16 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1jzj s PRO 36 CO -0.04 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.63 1jzj n GLY 37 N -0.31 0.58 0.00 0.56 0.00 -1.26 -3.44 105.19 101.32 1jzj n GLY 37 Ca 0.11 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1jzj n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jzj n ASN 38 N 0.01 0.00 -4.76 1.61 2.04 -1.26 -4.58 115.26 108.31 1jzj n ASN 38 Ca 0.00 -0.29 -0.41 0.00 -0.44 0.00 0.00 54.58 53.45 1jzj n ASN 38 Cb 0.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 1jzj n ASN 38 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1jzj s LEU 39 N 0.00 4.50 0.76 -4.53 1.02 -1.26 -4.83 118.68 114.34 1jzj s LEU 39 Ca 0.00 2.40 -0.11 0.00 0.02 0.00 0.00 54.13 56.44 1jzj s LEU 39 Cb 0.00 -3.63 0.05 0.00 0.02 0.00 0.00 46.19 42.63 1jzj s LEU 39 CO 0.00 -0.30 1.09 -2.84 0.02 0.00 0.00 176.35 174.32 1jzj s PRO 40 N -1.36 2.29 0.49 1.29 0.02 -1.26 -2.13 135.00 134.34 1jzj s PRO 40 Ca 0.47 1.19 0.18 0.00 0.02 0.00 0.00 61.00 62.86 1jzj s PRO 40 Cb -0.35 -1.90 1.21 0.00 0.02 0.00 0.00 34.50 33.48 1jzj s PRO 40 CO 0.44 -1.62 2.06 -0.22 -0.33 0.00 0.00 177.00 177.34 1jzj h LYS 41 N -1.04 0.00 0.00 5.54 3.64 -1.85 0.14 116.57 123.00 1jzj h LYS 41 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1jzj h LYS 41 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1jzj h LYS 41 CO 0.51 0.12 0.00 0.27 -2.27 0.00 0.00 179.45 178.08 1jzj n ASN 42 N -4.21 0.73 0.00 4.20 6.94 -1.26 -1.66 115.26 120.00 1jzj n ASN 42 Ca -0.03 0.64 0.00 0.00 -0.02 0.00 0.00 54.58 55.18 1jzj n ASN 42 Cb 0.20 -0.81 0.00 0.00 -2.36 0.00 0.00 39.78 36.81 1jzj n ASN 42 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1jzj n VAL 43 N -2.26 0.00 -2.46 3.53 0.24 -1.08 -4.84 118.33 111.45 1jzj n VAL 43 Ca 0.03 -0.13 0.03 0.00 -2.04 0.00 0.00 64.34 62.23 1jzj n VAL 43 Cb 0.29 0.61 0.01 0.00 -1.47 0.00 0.00 33.84 33.29 1jzj n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1jzj n MET 44 N -0.71 0.05 -2.13 7.34 0.00 0.46 -5.02 117.12 117.11 1jzj n MET 44 Ca 0.00 -1.93 -0.37 0.00 0.00 0.00 0.00 57.70 55.40 1jzj n MET 44 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 33.22 33.24 1jzj n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jzj s GLY 45 N -1.94 2.80 -0.00 -5.12 0.00 -0.66 -4.74 107.32 97.65 1jzj s GLY 45 Ca 0.30 1.03 0.02 0.00 0.00 0.00 0.00 44.72 46.07 1jzj s GLY 45 CO -0.15 1.50 -0.06 0.30 0.00 0.00 0.00 173.10 174.69 1jzj s HIS 46 N -1.50 0.52 0.10 1.90 3.76 0.10 -4.67 115.29 115.50 1jzj s HIS 46 Ca 0.66 -0.10 0.02 0.00 -0.15 0.00 0.00 55.06 55.49 1jzj s HIS 46 Cb -0.31 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 1jzj s HIS 46 CO 0.37 -0.01 -0.06 0.54 -0.85 0.00 0.00 174.74 174.73 1jzj s ASN 47 N -0.15 1.15 -0.28 1.40 2.20 -1.26 -0.04 114.94 117.96 1jzj s ASN 47 Ca 0.02 -1.01 -0.04 0.00 -0.94 0.00 0.00 52.86 50.89 1jzj s ASN 47 Cb -0.02 0.10 0.03 0.00 -2.00 0.00 0.00 41.25 39.35 1jzj s ASN 47 CO -0.00 -0.47 0.01 0.86 -2.94 0.00 0.00 177.10 174.56 1jzj s TRP 48 N -3.62 3.15 -0.05 1.54 -0.00 -1.26 -3.82 118.94 114.87 1jzj s TRP 48 Ca 0.12 -1.44 0.06 0.00 -0.00 0.00 0.00 56.10 54.85 1jzj s TRP 48 Cb 0.05 -2.15 -0.01 0.00 -0.00 0.00 0.00 33.47 31.37 1jzj s TRP 48 CO -0.04 -0.70 -0.25 0.08 -0.00 0.00 0.00 176.95 176.04 1jzj s VAL 49 N 1.37 2.02 -0.06 5.86 1.01 0.49 -1.67 120.40 129.41 1jzj s VAL 49 Ca -0.00 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1jzj s VAL 49 Cb -0.18 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1jzj s VAL 49 CO -0.01 0.56 -0.19 -0.22 0.00 0.00 0.00 175.10 175.24 1jzj s LEU 50 N -0.22 2.41 0.33 3.92 2.96 -0.14 -1.12 118.68 126.83 1jzj s LEU 50 Ca -0.02 -0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 53.34 1jzj s LEU 50 Cb -0.13 -1.47 0.04 0.00 0.50 0.00 0.00 46.19 45.12 1jzj s LEU 50 CO 0.03 0.28 0.76 -0.94 -1.32 0.00 0.00 176.35 175.15 1jzj s SER 51 N -0.33 -0.12 0.76 3.68 1.04 -0.96 -0.46 113.70 117.31 1jzj s SER 51 Ca 0.02 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 1jzj s SER 51 Cb -0.13 0.79 0.04 0.00 0.10 0.00 0.00 66.02 66.83 1jzj s SER 51 CO 0.02 -1.52 1.08 0.42 0.98 0.00 0.00 173.24 174.22 1jzj s THR 52 N -3.09 3.51 0.31 2.02 -4.23 -1.26 -1.02 115.64 111.87 1jzj s THR 52 Ca 0.13 0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 1jzj s THR 52 Cb -0.06 -3.17 0.22 0.00 1.34 0.00 0.00 72.50 70.84 1jzj s THR 52 CO 0.09 -0.64 1.93 0.00 -0.54 0.00 0.00 174.62 175.46 1jzj h ALA 53 N -0.97 1.37 -0.38 3.99 0.00 -1.41 -2.06 119.26 119.81 1jzj h ALA 53 Ca -0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1jzj h ALA 53 Cb 1.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1jzj h ALA 53 CO 0.56 0.51 0.13 0.00 0.00 0.00 0.00 179.25 180.45 1jzj h ALA 54 N 1.46 1.51 0.00 0.00 0.00 -1.92 -3.09 119.26 117.22 1jzj h ALA 54 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jzj h ALA 54 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1jzj h ALA 54 CO -0.04 0.37 -0.81 -0.25 0.00 0.00 0.00 179.25 178.52 1jzj n ASP 55 N -4.36 0.64 -0.05 0.00 8.00 -0.83 -4.60 116.55 115.34 1jzj n ASP 55 Ca 0.02 -0.09 -0.11 0.00 0.71 0.00 0.00 54.79 55.33 1jzj n ASP 55 Cb 0.16 0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 41.70 1jzj n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1jzj h MET 56 N 0.00 -0.39 -0.65 -1.24 1.85 -1.32 -1.95 114.93 111.23 1jzj h MET 56 Ca 0.00 0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.20 1jzj h MET 56 Cb 0.71 0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.76 1jzj h MET 56 CO 0.00 -0.26 0.29 0.37 -0.40 0.00 0.00 176.91 176.91 1jzj h GLN 57 N -0.41 0.50 -0.65 0.39 5.75 -1.81 -0.59 115.11 118.29 1jzj h GLN 57 Ca 0.11 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1jzj h GLN 57 Cb 0.60 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 1jzj h GLN 57 CO -0.47 0.33 0.22 0.78 -2.65 0.00 0.00 178.83 177.04 1jzj h GLY 58 N 0.52 1.08 1.04 2.39 0.00 -1.78 0.12 103.07 106.43 1jzj h GLY 58 Ca 0.32 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1jzj h GLY 58 CO -0.27 0.59 0.18 -2.08 0.00 0.00 0.00 176.54 174.97 1jzj h VAL 59 N 0.94 1.26 -0.24 4.60 2.07 -0.87 -0.24 116.25 123.77 1jzj h VAL 59 Ca 0.21 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1jzj h VAL 59 Cb 0.28 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1jzj h VAL 59 CO -0.01 0.35 -0.01 0.58 0.02 0.00 0.00 177.57 178.50 1jzj h VAL 60 N 0.98 1.26 0.12 2.57 2.07 -0.82 -0.12 116.25 122.31 1jzj h VAL 60 Ca 0.21 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1jzj h VAL 60 Cb 0.34 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1jzj h VAL 60 CO -0.00 0.29 -0.06 0.74 0.02 0.00 0.00 177.57 178.56 1jzj h THR 61 N 0.19 0.96 0.00 2.57 2.02 -0.62 -0.99 112.91 117.04 1jzj h THR 61 Ca 0.07 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1jzj h THR 61 Cb 0.43 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1jzj h THR 61 CO 0.01 0.08 -0.29 0.44 0.37 0.00 0.00 175.52 176.13 1jzj h ASP 62 N -0.31 0.00 -0.19 4.18 3.32 -1.08 -2.75 116.42 119.59 1jzj h ASP 62 Ca -0.02 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1jzj h ASP 62 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1jzj h ASP 62 CO 0.03 0.29 -0.55 1.23 -1.72 0.00 0.00 179.24 178.51 1jzj h GLY 63 N 0.91 0.78 0.49 2.75 0.00 -0.85 -2.92 103.07 104.23 1jzj h GLY 63 Ca -0.00 -1.00 0.11 0.00 0.00 0.00 0.00 47.33 46.44 1jzj h GLY 63 CO 0.04 0.89 0.59 1.98 0.00 0.00 0.00 176.54 180.04 1jzj h MET 64 N 0.42 0.91 0.00 4.80 1.85 -0.89 -0.72 114.93 121.30 1jzj h MET 64 Ca -0.02 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1jzj h MET 64 Cb 1.17 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 33.00 1jzj h MET 64 CO 0.12 0.61 0.00 0.00 -0.40 0.00 0.00 176.91 177.23 1jzj n ALA 65 N -2.36 2.15 0.17 0.39 0.00 -1.10 -3.65 120.51 116.11 1jzj n ALA 65 Ca 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.58 1jzj n ALA 65 Cb 0.33 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.45 1jzj n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jzj h SER 66 N 0.00 0.00 -4.42 0.00 0.02 -0.93 -3.50 113.55 104.72 1jzj h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jzj h SER 66 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1jzj h SER 66 CO 0.00 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 1jzj n GLY 67 N 1.18 -0.59 0.34 -3.77 0.00 -1.24 -4.27 105.19 96.84 1jzj n GLY 67 Ca 0.03 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.43 1jzj n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jzj h LEU 68 N 0.00 0.72 -1.63 0.99 5.85 -1.93 -1.34 115.31 117.97 1jzj h LEU 68 Ca 0.00 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1jzj h LEU 68 Cb 0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1jzj h LEU 68 CO 0.00 0.51 0.44 -0.78 -0.34 0.00 0.00 178.44 178.27 1jzj h ASP 69 N 0.84 0.36 -0.46 1.25 -0.00 -2.02 -1.46 116.42 114.93 1jzj h ASP 69 Ca 0.26 0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 57.26 1jzj h ASP 69 Cb -0.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.24 1jzj h ASP 69 CO -0.06 0.20 0.03 0.29 -0.00 0.00 0.00 179.24 179.70 1jzj n LYS 70 N -4.47 3.84 -2.27 0.28 4.76 -0.89 -4.93 118.16 114.48 1jzj n LYS 70 Ca 0.12 -3.03 -0.19 0.00 -2.87 0.00 0.00 58.31 52.34 1jzj n LYS 70 Cb 0.45 -2.08 -0.02 0.00 -1.84 0.00 0.00 35.03 31.54 1jzj n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jzj n ASP 71 N -0.01 -5.36 -3.87 4.39 8.00 -0.55 -2.40 116.55 116.74 1jzj n ASP 71 Ca 0.27 0.11 -0.29 0.00 0.71 0.00 0.00 54.79 55.59 1jzj n ASP 71 Cb 1.10 -4.53 0.03 0.00 -0.02 0.00 0.00 41.12 37.70 1jzj n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jzj n TYR 72 N -3.59 -2.34 -4.34 1.24 4.01 -0.56 -4.71 117.16 106.86 1jzj n TYR 72 Ca -0.22 0.92 -0.22 0.00 -0.16 0.00 0.00 57.90 58.22 1jzj n TYR 72 Cb 0.66 -4.11 -0.16 0.00 -0.31 0.00 0.00 39.34 35.42 1jzj n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jzj s LEU 73 N -7.26 1.50 -0.03 7.72 1.43 -1.01 -4.23 118.68 116.80 1jzj s LEU 73 Ca 0.62 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 1jzj s LEU 73 Cb -0.31 -0.59 -0.06 0.00 0.03 0.00 0.00 46.19 45.26 1jzj s LEU 73 CO 0.82 -0.01 1.64 -0.75 0.23 0.00 0.00 176.35 178.29 1jzj s LYS 74 N 0.73 4.19 0.04 1.70 2.20 -1.26 -4.86 119.74 122.48 1jzj s LYS 74 Ca -0.12 2.20 -0.37 0.00 -0.36 0.00 0.00 55.97 57.32 1jzj s LYS 74 Cb -0.14 -3.92 -0.17 0.00 -1.51 0.00 0.00 37.83 32.09 1jzj s LYS 74 CO 0.02 -0.82 1.33 -2.30 -0.36 0.00 0.00 175.35 173.22 1jzj n PRO 75 N 6.85 0.98 -2.39 4.03 -0.02 -1.26 -1.65 135.00 141.54 1jzj n PRO 75 Ca 0.17 0.36 -0.20 0.00 -2.02 0.00 0.00 63.50 61.80 1jzj n PRO 75 Cb 0.42 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 1jzj n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jzj n ASP 76 N 2.60 -5.71 -4.59 2.55 -0.08 -1.26 -4.91 116.55 105.14 1jzj n ASP 76 Ca 0.19 0.02 -0.42 0.00 -1.51 0.00 0.00 54.79 53.06 1jzj n ASP 76 Cb 0.17 -4.76 -0.03 0.00 2.34 0.00 0.00 41.12 38.84 1jzj n ASP 76 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jzj s ASP 77 N -2.06 5.69 0.60 1.67 -1.08 -0.66 -4.84 116.67 115.99 1jzj s ASP 77 Ca 0.00 1.39 0.38 0.00 -0.52 0.00 0.00 52.55 53.80 1jzj s ASP 77 Cb 0.00 -2.52 1.89 0.00 -1.46 0.00 0.00 42.92 40.82 1jzj s ASP 77 CO 0.00 -1.86 2.19 0.77 0.52 0.00 0.00 175.17 176.79 1jzj h SER 78 N 13.81 0.00 1.25 -0.34 4.64 -1.91 -2.32 113.55 128.68 1jzj h SER 78 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1jzj h SER 78 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1jzj h SER 78 CO 1.03 0.02 0.00 0.03 -0.87 0.00 0.00 176.83 177.04 1jzj h ARG 79 N 0.00 0.00 -6.37 4.77 3.08 -1.97 -3.42 114.38 110.47 1jzj h ARG 79 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1jzj h ARG 79 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1jzj h ARG 79 CO 0.00 0.00 0.94 0.08 -1.07 0.00 0.00 179.97 179.92 1jzj s VAL 80 N -3.56 4.22 0.00 2.04 1.01 -0.88 -4.53 120.40 118.71 1jzj s VAL 80 Ca 0.02 1.38 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 1jzj s VAL 80 Cb 0.08 -4.25 -0.25 0.00 0.00 0.00 0.00 36.38 31.96 1jzj s VAL 80 CO 0.57 -0.52 1.07 0.40 0.00 0.00 0.00 175.10 176.62 1jzj h ILE 81 N 5.94 1.43 -2.70 2.22 2.04 -1.03 -3.48 117.51 121.93 1jzj h ILE 81 Ca -0.25 -2.17 -0.04 0.00 1.00 0.00 0.00 64.86 63.40 1jzj h ILE 81 Cb 1.09 2.68 -0.15 0.00 -0.74 0.00 0.00 36.82 39.70 1jzj h ILE 81 CO 1.04 0.63 0.15 0.00 0.00 0.00 0.00 178.15 179.98 1jzj s ALA 82 N -3.09 -1.55 -0.07 1.87 0.00 -1.23 -4.97 121.76 112.73 1jzj s ALA 82 Ca -0.13 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1jzj s ALA 82 Cb 0.03 0.53 0.10 0.00 0.00 0.00 0.00 23.12 23.78 1jzj s ALA 82 CO 0.83 -0.60 0.82 -3.38 0.00 0.00 0.00 175.76 173.44 1jzj s HIS 83 N -2.79 -0.49 0.53 0.00 -3.43 -1.26 -0.97 115.29 106.88 1jzj s HIS 83 Ca -0.03 0.73 0.09 0.00 -0.80 0.00 0.00 55.06 55.04 1jzj s HIS 83 Cb -0.01 0.46 0.06 0.00 -1.43 0.00 0.00 32.58 31.66 1jzj s HIS 83 CO -0.04 -0.52 0.66 0.95 -2.00 0.00 0.00 174.74 173.79 1jzj s THR 84 N -1.69 2.29 0.75 -5.38 -4.23 -0.67 -4.82 115.64 101.89 1jzj s THR 84 Ca -0.04 -1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 59.30 1jzj s THR 84 Cb -0.00 -2.38 0.08 0.00 1.34 0.00 0.00 72.50 71.54 1jzj s THR 84 CO 0.02 0.00 1.07 -1.59 -0.54 0.00 0.00 174.62 173.58 1jzj s LYS 85 N -4.51 1.95 -0.19 3.99 -2.85 -1.26 -4.55 119.74 112.32 1jzj s LYS 85 Ca 0.56 -0.30 -0.27 0.00 -1.00 0.00 0.00 55.97 54.96 1jzj s LYS 85 Cb -0.06 -2.12 -0.01 0.00 -2.06 0.00 0.00 37.83 33.58 1jzj s LYS 85 CO 0.35 -1.43 0.91 -1.17 0.10 0.00 0.00 175.35 174.10 1jzj s LEU 86 N -5.35 4.15 0.22 2.77 2.96 -1.26 -4.44 118.68 117.73 1jzj s LEU 86 Ca 0.62 1.24 0.10 0.00 -0.22 0.00 0.00 54.13 55.88 1jzj s LEU 86 Cb -0.10 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 1jzj s LEU 86 CO 0.46 -0.50 -0.14 0.27 -1.32 0.00 0.00 176.35 175.12 1jzj s ILE 87 N 2.54 2.84 0.45 6.68 -4.36 0.95 -4.86 121.20 125.43 1jzj s ILE 87 Ca 0.40 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.87 1jzj s ILE 87 Cb -0.16 -2.43 0.05 0.00 1.25 0.00 0.00 42.46 41.17 1jzj s ILE 87 CO 0.10 -0.22 0.42 0.61 0.24 0.00 0.00 174.94 176.10 1jzj n GLY 88 N -0.20 2.55 3.72 6.27 0.00 -1.26 -0.73 105.19 115.54 1jzj n GLY 88 Ca -0.09 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.27 1jzj n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jzj n SER 89 N -2.05 2.78 0.00 1.61 7.64 -0.91 -2.32 113.62 120.37 1jzj n SER 89 Ca 0.03 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1jzj n SER 89 Cb 0.49 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1jzj n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jzj n GLY 90 N 0.74 2.88 3.95 0.23 0.00 -0.73 -4.97 105.19 107.29 1jzj n GLY 90 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1jzj n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jzj s GLU 91 N -0.04 2.84 -0.01 1.61 2.02 -0.98 -4.94 118.70 119.19 1jzj s GLU 91 Ca 0.00 -0.43 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 1jzj s GLU 91 Cb 0.00 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1jzj s GLU 91 CO 0.00 -0.55 0.10 0.15 0.02 0.00 0.00 175.26 174.98 1jzj s LYS 92 N -4.76 0.30 -0.22 1.61 1.02 -1.26 -3.46 119.74 112.96 1jzj s LYS 92 Ca 0.53 -0.19 -0.20 0.00 0.02 0.00 0.00 55.97 56.13 1jzj s LYS 92 Cb -0.10 0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1jzj s LYS 92 CO 0.40 -0.06 0.59 0.34 -0.92 0.00 0.00 175.35 175.70 1jzj s ASP 93 N -0.76 -0.62 0.15 2.83 2.15 -0.77 -5.03 116.67 114.62 1jzj s ASP 93 Ca -0.08 1.20 0.10 0.00 0.43 0.00 0.00 52.55 54.19 1jzj s ASP 93 Cb -0.05 1.21 -0.04 0.00 -0.30 0.00 0.00 42.92 43.74 1jzj s ASP 93 CO 0.01 -0.21 -0.22 -0.44 -0.17 0.00 0.00 175.17 174.14 1jzj s SER 94 N 0.36 2.95 -0.00 -0.34 0.01 -1.26 -0.83 113.70 114.58 1jzj s SER 94 Ca -0.00 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1jzj s SER 94 Cb -0.04 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1jzj s SER 94 CO 0.00 0.08 0.00 0.54 0.41 0.00 0.00 173.24 174.27 1jzj s VAL 95 N -1.48 0.03 -0.05 3.43 0.11 -0.63 -4.92 120.40 116.89 1jzj s VAL 95 Ca 0.14 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1jzj s VAL 95 Cb -0.08 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1jzj s VAL 95 CO 0.07 0.03 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.73 1jzj s THR 96 N 0.18 1.97 0.08 5.04 2.01 -1.26 -0.86 115.64 122.80 1jzj s THR 96 Ca -0.02 -1.03 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 1jzj s THR 96 Cb -0.03 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1jzj s THR 96 CO -0.01 0.55 -0.02 0.72 -0.69 0.00 0.00 174.62 175.17 1jzj s PHE 97 N -0.24 0.69 -0.18 4.92 -0.71 -0.09 -4.94 117.98 117.43 1jzj s PHE 97 Ca -0.01 -1.07 -0.29 0.00 -1.04 0.00 0.00 56.93 54.53 1jzj s PHE 97 Cb -0.13 -0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 41.23 1jzj s PHE 97 CO 0.02 -0.35 1.19 0.34 -1.34 0.00 0.00 175.22 175.08 1jzj s ASP 98 N -2.98 7.00 0.45 1.98 -1.08 -1.26 -1.07 116.67 119.71 1jzj s ASP 98 Ca 0.12 1.60 0.31 0.00 -0.52 0.00 0.00 52.55 54.05 1jzj s ASP 98 Cb 0.07 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 40.34 1jzj s ASP 98 CO -0.06 -0.72 1.91 0.58 0.52 0.00 0.00 175.17 177.40 1jzj h VAL 99 N 5.45 0.00 0.00 1.11 2.07 -1.49 -2.63 116.25 120.77 1jzj h VAL 99 Ca -0.25 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1jzj h VAL 99 Cb 1.09 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1jzj h VAL 99 CO 0.97 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.02 1jzj n SER 100 N -2.73 0.00 -0.27 0.57 3.41 -1.26 -0.62 113.62 112.72 1jzj n SER 100 Ca 0.00 0.09 0.14 0.00 -0.26 0.00 0.00 58.87 58.85 1jzj n SER 100 Cb 0.23 -0.27 0.64 0.00 -0.26 0.00 0.00 64.21 64.55 1jzj n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jzj n LYS 101 N -1.27 1.26 -4.40 4.33 5.02 -0.99 -4.83 118.16 117.28 1jzj n LYS 101 Ca 0.06 -0.55 -0.26 0.00 -2.02 0.00 0.00 58.31 55.54 1jzj n LYS 101 Cb 0.09 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 1jzj n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jzj s LEU 102 N -2.12 2.62 0.09 -0.35 1.43 0.21 -5.13 118.68 115.43 1jzj s LEU 102 Ca 0.38 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 1jzj s LEU 102 Cb 0.21 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 1jzj s LEU 102 CO 0.38 0.10 0.13 -1.59 0.23 0.00 0.00 176.35 175.60 1jzj s LYS 103 N -2.90 0.84 0.51 1.70 -2.85 -1.26 -5.03 119.74 110.74 1jzj s LYS 103 Ca 0.24 -1.11 -0.18 0.00 -1.00 0.00 0.00 55.97 53.92 1jzj s LYS 103 Cb -0.08 0.30 -0.08 0.00 -2.06 0.00 0.00 37.83 35.92 1jzj s LYS 103 CO 0.12 -0.25 0.99 -1.21 0.10 0.00 0.00 175.35 175.11 1jzj s GLU 104 N -3.91 3.91 0.00 1.78 2.02 -1.26 -3.93 118.70 117.31 1jzj s GLU 104 Ca 0.09 1.05 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1jzj s GLU 104 Cb 0.06 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1jzj s GLU 104 CO -0.08 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1jzj n GLY 105 N -1.20 0.56 2.91 -1.39 0.00 -1.26 -5.05 105.19 99.76 1jzj n GLY 105 Ca 0.07 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1jzj n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jzj s GLU 106 N -0.92 0.32 -0.18 1.61 2.12 -1.25 -5.13 118.70 115.27 1jzj s GLU 106 Ca 0.00 -0.10 -0.18 0.00 0.36 0.00 0.00 54.97 55.05 1jzj s GLU 106 Cb 0.00 -0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.01 1jzj s GLU 106 CO 0.00 0.04 0.51 -0.65 -0.54 0.00 0.00 175.26 174.62 1jzj s GLN 107 N 0.14 4.23 0.13 4.30 -1.52 -1.26 -4.82 119.66 120.85 1jzj s GLN 107 Ca -0.01 0.43 0.07 0.00 -1.95 0.00 0.00 55.36 53.90 1jzj s GLN 107 Cb -0.04 -3.53 -0.04 0.00 -0.22 0.00 0.00 33.01 29.18 1jzj s GLN 107 CO -0.00 -0.06 -0.07 0.71 -0.25 0.00 0.00 175.29 175.62 1jzj s TYR 108 N 1.34 2.77 -0.01 0.91 2.02 -1.15 -1.07 117.35 122.16 1jzj s TYR 108 Ca 0.25 -0.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.85 1jzj s TYR 108 Cb -0.15 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 1jzj s TYR 108 CO 0.10 0.46 -0.16 -1.64 -1.57 0.00 0.00 175.55 172.74 1jzj s MET 109 N -2.45 1.30 0.01 -0.62 -1.94 -0.19 -1.66 119.30 113.74 1jzj s MET 109 Ca 0.23 -0.62 0.06 0.00 -1.71 0.00 0.00 55.69 53.65 1jzj s MET 109 Cb -0.10 -1.27 -0.03 0.00 2.01 0.00 0.00 34.83 35.44 1jzj s MET 109 CO 0.15 0.34 -0.15 -0.59 -0.01 0.00 0.00 175.02 174.76 1jzj s PHE 110 N -0.44 2.64 0.26 -0.03 -0.71 -0.22 -2.26 117.98 117.23 1jzj s PHE 110 Ca 0.06 -0.20 -0.21 0.00 -1.04 0.00 0.00 56.93 55.54 1jzj s PHE 110 Cb -0.07 -1.53 0.05 0.00 -1.21 0.00 0.00 43.02 40.27 1jzj s PHE 110 CO -0.00 0.24 0.86 -0.59 -1.34 0.00 0.00 175.22 174.39 1jzj s PHE 111 N -0.88 -0.03 -0.09 3.49 -0.71 -0.28 -0.77 117.98 118.72 1jzj s PHE 111 Ca 0.14 -0.45 -0.02 0.00 -1.04 0.00 0.00 56.93 55.57 1jzj s PHE 111 Cb -0.11 0.73 -0.03 0.00 -1.21 0.00 0.00 43.02 42.40 1jzj s PHE 111 CO 0.04 -1.18 0.00 0.00 -1.34 0.00 0.00 175.22 172.75 1jzj n THR 113 N 2.14 0.33 -1.88 0.00 -2.24 -1.26 -3.25 114.28 108.11 1jzj n THR 113 Ca -0.19 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.52 1jzj n THR 113 Cb 0.54 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.92 1jzj n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jzj s PHE 114 N -1.62 2.77 -0.36 4.78 2.19 -1.26 -4.27 117.98 120.20 1jzj s PHE 114 Ca 0.34 1.09 -0.32 0.00 0.33 0.00 0.00 56.93 58.37 1jzj s PHE 114 Cb 0.21 -3.95 -0.14 0.00 -1.31 0.00 0.00 43.02 37.83 1jzj s PHE 114 CO 0.30 -2.91 1.51 -2.30 1.83 0.00 0.00 175.22 173.65 1jzj n PRO 115 N 1.22 0.00 0.00 10.12 -0.02 -1.26 -1.18 135.00 143.88 1jzj n PRO 115 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1jzj n PRO 115 Cb 0.39 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1jzj n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jzj n GLY 116 N 5.19 2.97 0.37 -1.23 0.00 -1.26 -4.91 105.19 106.32 1jzj n GLY 116 Ca 0.38 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.52 1jzj n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jzj h HIS 117 N 0.00 0.93 0.00 1.61 3.86 -1.43 -2.69 115.15 117.43 1jzj h HIS 117 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1jzj h HIS 117 Cb 0.00 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.18 1jzj h HIS 117 CO 0.00 0.29 0.24 0.66 0.86 0.00 0.00 177.93 179.99 1jzj h SER 118 N 0.74 0.00 -0.02 2.45 4.64 -1.72 0.38 113.55 120.02 1jzj h SER 118 Ca 0.50 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.83 1jzj h SER 118 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1jzj h SER 118 CO -0.27 0.00 0.01 0.00 -0.87 0.00 0.00 176.83 175.71 1jzj h ALA 119 N 1.51 1.96 0.00 5.18 0.00 -1.83 -3.30 119.26 122.78 1jzj h ALA 119 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jzj h ALA 119 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jzj h ALA 119 CO 0.00 -0.02 -0.80 -0.11 0.00 0.00 0.00 179.25 178.32 1jzj n LEU 120 N -4.46 1.34 -4.48 0.00 7.94 -0.46 -4.92 117.00 111.97 1jzj n LEU 120 Ca -0.03 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.44 1jzj n LEU 120 Cb 0.11 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.05 1jzj n LEU 120 CO 0.33 0.22 1.35 -0.04 -1.11 0.00 0.00 177.39 178.15 1jzj s MET 121 N -1.80 3.94 0.19 1.96 -1.94 0.12 -4.78 119.30 116.99 1jzj s MET 121 Ca 0.00 -2.26 -0.23 0.00 -1.71 0.00 0.00 55.69 51.49 1jzj s MET 121 Cb 0.00 -5.08 0.05 0.00 2.01 0.00 0.00 34.83 31.81 1jzj s MET 121 CO 0.00 -1.83 0.70 -1.59 -0.01 0.00 0.00 175.02 172.29 1jzj s LYS 122 N 2.25 1.43 0.09 2.03 -2.85 -1.26 -2.28 119.74 119.15 1jzj s LYS 122 Ca 0.41 -0.67 -0.25 0.00 -1.00 0.00 0.00 55.97 54.46 1jzj s LYS 122 Cb -0.03 0.56 0.09 0.00 -2.06 0.00 0.00 37.83 36.39 1jzj s LYS 122 CO -0.02 -0.64 1.16 0.20 0.10 0.00 0.00 175.35 176.14 1jzj s GLY 123 N -2.81 0.01 0.15 0.59 0.00 0.05 -4.80 107.32 100.50 1jzj s GLY 123 Ca 0.06 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.65 1jzj s GLY 123 CO -0.04 4.00 0.16 -0.51 0.00 0.00 0.00 173.10 176.72 1jzj s THR 124 N -2.08 4.70 -0.04 0.90 -4.23 -0.47 -1.05 115.64 113.37 1jzj s THR 124 Ca 0.26 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1jzj s THR 124 Cb -0.02 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.46 1jzj s THR 124 CO 0.03 -0.07 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.78 1jzj s LEU 125 N -3.03 1.36 0.00 4.79 0.20 -0.66 0.29 118.68 121.63 1jzj s LEU 125 Ca 0.32 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 55.05 1jzj s LEU 125 Cb -0.11 -0.39 -0.01 0.00 -0.43 0.00 0.00 46.19 45.26 1jzj s LEU 125 CO 0.24 -0.05 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.31 1jzj s THR 126 N 0.83 0.43 -0.23 3.68 2.01 -0.13 -2.96 115.64 119.28 1jzj s THR 126 Ca -0.11 -0.31 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 1jzj s THR 126 Cb -0.13 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1jzj s THR 126 CO -0.00 0.07 0.57 -0.22 -0.69 0.00 0.00 174.62 174.36 1jzj s LEU 127 N -0.26 4.10 0.00 4.42 2.96 -1.26 -0.11 118.68 128.52 1jzj s LEU 127 Ca 0.01 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1jzj s LEU 127 Cb -0.03 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1jzj s LEU 127 CO -0.00 -0.28 0.00 0.29 -1.32 0.00 0.00 176.35 175.04