#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj n ASP 2 N 0.00 3.19 -4.72 -1.12 2.03 -1.26 -5.08 116.55 109.59 1jbj n ASP 2 Ca 0.00 -3.10 -0.23 0.00 0.52 0.00 0.00 54.79 51.99 1jbj n ASP 2 Cb 0.00 -0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 39.88 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jbj s ALA 3 N -3.48 3.34 0.79 -1.67 0.00 -1.26 -5.11 121.76 114.37 1jbj s ALA 3 Ca 0.38 -1.55 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1jbj s ALA 3 Cb 0.40 -1.00 0.07 0.00 0.00 0.00 0.00 23.12 22.60 1jbj s ALA 3 CO -0.05 0.27 1.15 -1.21 0.00 0.00 0.00 175.76 175.92 1jbj s GLU 4 N -3.72 1.88 -0.50 0.00 2.02 -1.26 -4.97 118.70 112.15 1jbj s GLU 4 Ca 0.32 1.52 0.04 0.00 0.02 0.00 0.00 54.97 56.87 1jbj s GLU 4 Cb -0.07 -1.83 0.42 0.00 0.10 0.00 0.00 34.13 32.75 1jbj s GLU 4 CO 0.22 -1.99 1.33 0.09 0.02 0.00 0.00 175.26 174.93 1jbj n ASN 5 N -3.35 5.39 -4.96 -0.19 5.03 -1.26 -4.90 115.26 111.02 1jbj n ASN 5 Ca 0.12 -3.75 -0.21 0.00 0.87 0.00 0.00 54.58 51.60 1jbj n ASN 5 Cb 0.52 -0.57 0.01 0.00 -1.02 0.00 0.00 39.78 38.72 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jbj s ILE 6 N -5.26 2.24 0.42 2.41 -1.09 -1.26 -5.14 121.20 113.52 1jbj s ILE 6 Ca 0.50 -1.22 0.06 0.00 -2.23 0.00 0.00 60.65 57.76 1jbj s ILE 6 Cb 0.41 -2.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.85 1jbj s ILE 6 CO -0.18 0.00 0.59 -1.61 -1.23 0.00 0.00 174.94 172.51 1jbj s GLU 7 N -4.39 2.88 0.58 2.79 2.02 -1.26 -4.76 118.70 116.56 1jbj s GLU 7 Ca 0.50 -1.02 -0.19 0.00 0.02 0.00 0.00 54.97 54.27 1jbj s GLU 7 Cb -0.05 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 1jbj s GLU 7 CO 0.31 -0.26 1.23 0.71 0.02 0.00 0.00 175.26 177.26 1jbj s TYR 8 N -2.40 2.39 -0.23 1.61 1.51 -1.26 -4.76 117.35 114.20 1jbj s TYR 8 Ca 0.52 1.50 0.01 0.00 -1.01 0.00 0.00 57.07 58.09 1jbj s TYR 8 Cb -0.10 -3.53 0.04 0.00 -0.11 0.00 0.00 41.96 38.26 1jbj s TYR 8 CO 0.34 -2.29 -0.12 0.15 -1.11 0.00 0.00 175.55 172.51 1jbj s LYS 9 N -3.24 2.58 -0.07 -0.62 1.02 -1.00 -4.87 119.74 113.56 1jbj s LYS 9 Ca 0.76 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 55.65 1jbj s LYS 9 Cb -0.32 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1jbj s LYS 9 CO 0.35 -0.43 -0.09 0.08 -0.92 0.00 0.00 175.35 174.34 1jbj s VAL 10 N 1.20 3.51 -0.21 3.17 1.01 -1.25 0.65 120.40 128.48 1jbj s VAL 10 Ca -0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1jbj s VAL 10 Cb -0.17 -2.42 0.08 0.00 0.00 0.00 0.00 36.38 33.87 1jbj s VAL 10 CO -0.07 0.59 0.47 -0.44 0.00 0.00 0.00 175.10 175.65 1jbj s SER 11 N -0.74 -0.51 -0.18 3.32 0.01 -0.66 -4.95 113.70 109.99 1jbj s SER 11 Ca 0.11 1.07 -0.26 0.00 1.31 0.00 0.00 55.95 58.19 1jbj s SER 11 Cb -0.11 1.23 -0.01 0.00 0.21 0.00 0.00 66.02 67.34 1jbj s SER 11 CO 0.01 -0.22 0.86 -0.63 0.41 0.00 0.00 173.24 173.68 1jbj s ILE 12 N 2.09 4.85 -0.28 1.44 1.01 -1.26 -0.96 121.20 128.08 1jbj s ILE 12 Ca -0.06 1.69 0.02 0.00 0.00 0.00 0.00 60.65 62.30 1jbj s ILE 12 Cb -0.10 -4.16 0.08 0.00 0.01 0.00 0.00 42.46 38.29 1jbj s ILE 12 CO -0.14 -0.01 -0.01 -0.44 0.00 0.00 0.00 174.94 174.34 1jbj s SER 13 N 1.18 4.29 -1.00 3.58 0.01 0.60 -4.87 113.70 117.50 1jbj s SER 13 Ca 0.39 -1.61 -0.14 0.00 1.31 0.00 0.00 55.95 55.90 1jbj s SER 13 Cb -0.16 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1jbj s SER 13 CO 0.11 -0.30 0.71 0.61 0.41 0.00 0.00 173.24 174.79 1jbj n GLY 14 N 4.51 -1.10 3.12 3.44 0.00 -1.26 -0.61 105.19 113.29 1jbj n GLY 14 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1jbj n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jbj n THR 15 N -3.52 0.00 -4.48 2.61 -1.04 -1.26 -4.87 114.28 101.72 1jbj n THR 15 Ca -0.14 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.54 1jbj n THR 15 Cb 0.60 -0.54 -0.16 0.00 -1.82 0.00 0.00 70.33 68.41 1jbj n THR 15 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1jbj s SER 16 N -2.13 3.29 0.24 8.00 0.01 0.22 0.13 113.70 123.45 1jbj s SER 16 Ca 0.00 -0.58 -0.14 0.00 1.31 0.00 0.00 55.95 56.55 1jbj s SER 16 Cb 0.00 -1.49 -0.08 0.00 0.21 0.00 0.00 66.02 64.66 1jbj s SER 16 CO 0.00 0.06 0.63 -0.69 0.41 0.00 0.00 173.24 173.65 1jbj s VAL 17 N 0.95 4.79 -0.26 3.43 1.01 0.32 0.22 120.40 130.86 1jbj s VAL 17 Ca -0.03 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1jbj s VAL 17 Cb -0.15 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.64 1jbj s VAL 17 CO -0.04 -0.00 0.08 -0.70 0.00 0.00 0.00 175.10 174.44 1jbj s GLU 18 N -2.58 0.53 0.15 2.72 2.12 -0.14 0.15 118.70 121.65 1jbj s GLU 18 Ca 0.47 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 55.06 1jbj s GLU 18 Cb -0.12 -1.82 -0.06 0.00 0.26 0.00 0.00 34.13 32.39 1jbj s GLU 18 CO 0.19 -0.86 0.42 -0.51 -0.54 0.00 0.00 175.26 173.96 1jbj s LEU 19 N 1.85 4.26 -0.20 2.70 1.43 0.29 -1.66 118.68 127.35 1jbj s LEU 19 Ca 0.06 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 1jbj s LEU 19 Cb -0.17 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.76 1jbj s LEU 19 CO -0.21 0.05 -0.16 -0.89 0.23 0.00 0.00 176.35 175.37 1jbj s THR 20 N -1.63 2.28 0.25 5.49 2.01 0.21 -0.47 115.64 123.78 1jbj s THR 20 Ca 0.40 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1jbj s THR 20 Cb -0.12 -2.05 -0.09 0.00 0.01 0.00 0.00 72.50 70.25 1jbj s THR 20 CO 0.22 0.41 0.99 0.00 -0.69 0.00 0.00 174.62 175.55 1jbj n PRO 22 N 1.40 0.11 -4.92 0.00 -0.02 -1.26 -4.52 135.00 125.79 1jbj n PRO 22 Ca -0.02 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.33 1jbj n PRO 22 Cb 0.46 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 32.27 1jbj n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jbj s LEU 23 N -2.40 1.92 1.04 2.45 1.43 -1.26 -4.21 118.68 117.65 1jbj s LEU 23 Ca 0.06 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1jbj s LEU 23 Cb 0.04 -1.20 0.14 0.00 0.03 0.00 0.00 46.19 45.19 1jbj s LEU 23 CO 0.08 0.10 0.16 -0.90 0.23 0.00 0.00 176.35 176.02 1jbj n ASP 24 N 3.71 -2.87 -4.47 2.29 5.68 -1.26 -4.56 116.55 115.07 1jbj n ASP 24 Ca -0.20 -0.31 -0.43 0.00 -0.50 0.00 0.00 54.79 53.34 1jbj n ASP 24 Cb 0.52 -0.80 -0.03 0.00 -1.14 0.00 0.00 41.12 39.67 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jbj s SER 25 N -1.91 6.43 0.73 -1.12 1.04 -1.26 -4.56 113.70 113.04 1jbj s SER 25 Ca 0.41 -1.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.21 1jbj s SER 25 Cb -0.07 -2.43 0.04 0.00 0.10 0.00 0.00 66.02 63.66 1jbj s SER 25 CO 0.43 -1.29 1.10 -1.81 0.98 0.00 0.00 173.24 172.65 1jbj s ASP 26 N 3.82 5.14 0.00 7.02 1.01 -1.26 -4.92 116.67 127.49 1jbj s ASP 26 Ca 0.30 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.51 1jbj s ASP 26 Cb -0.09 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.18 1jbj s ASP 26 CO -0.01 -1.50 0.76 -0.62 0.21 0.00 0.00 175.17 174.00 1jbj n GLU 27 N -3.06 0.87 -0.39 8.23 4.71 -1.26 -2.48 120.64 127.27 1jbj n GLU 27 Ca 0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1jbj n GLU 27 Cb 0.59 -1.16 -0.00 0.00 -1.01 0.00 0.00 31.44 29.86 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jbj n ASN 28 N 0.44 -0.01 -4.76 1.62 3.02 -1.26 -5.10 115.26 109.21 1jbj n ASN 28 Ca 0.00 -0.77 -0.40 0.00 -0.03 0.00 0.00 54.58 53.38 1jbj n ASN 28 Cb 0.38 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 1jbj n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jbj s LEU 29 N 0.00 4.50 -0.00 3.41 2.96 -1.03 -4.33 118.68 124.18 1jbj s LEU 29 Ca 0.00 2.35 -0.07 0.00 -0.22 0.00 0.00 54.13 56.18 1jbj s LEU 29 Cb 0.00 -3.67 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1jbj s LEU 29 CO 0.00 -0.26 0.15 -0.54 -1.32 0.00 0.00 176.35 174.38 1jbj s LYS 30 N -1.59 0.46 0.20 1.98 1.02 -0.98 -3.18 119.74 117.65 1jbj s LYS 30 Ca 0.46 -0.33 0.06 0.00 0.02 0.00 0.00 55.97 56.18 1jbj s LYS 30 Cb -0.33 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 1jbj s LYS 30 CO 0.43 -0.11 0.11 -1.58 -0.92 0.00 0.00 175.35 173.28 1jbj s TRP 31 N -1.24 3.04 -0.20 3.18 0.52 -1.09 -2.35 118.94 120.79 1jbj s TRP 31 Ca -0.13 -0.08 -0.06 0.00 0.02 0.00 0.00 56.10 55.85 1jbj s TRP 31 Cb -0.07 -1.43 0.10 0.00 -1.15 0.00 0.00 33.47 30.92 1jbj s TRP 31 CO 0.02 0.53 0.40 -2.00 0.02 0.00 0.00 176.95 175.91 1jbj s GLU 32 N -3.32 0.32 0.04 4.98 2.12 0.10 -2.10 118.70 120.84 1jbj s GLU 32 Ca 0.31 0.89 -0.03 0.00 0.36 0.00 0.00 54.97 56.50 1jbj s GLU 32 Cb -0.09 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.37 1jbj s GLU 32 CO 0.23 -0.35 0.24 0.21 -0.54 0.00 0.00 175.26 175.05 1jbj s LYS 33 N 2.58 3.50 0.56 4.30 2.20 -0.49 -0.98 119.74 131.41 1jbj s LYS 33 Ca 0.02 -0.27 0.31 0.00 -0.36 0.00 0.00 55.97 55.68 1jbj s LYS 33 Cb -0.13 -3.03 1.47 0.00 -1.51 0.00 0.00 37.83 34.63 1jbj s LYS 33 CO -0.13 0.61 1.85 -0.97 -0.36 0.00 0.00 175.35 176.35 1jbj h ASN 34 N 3.44 0.00 0.00 1.43 -0.73 -1.86 -2.85 115.58 115.01 1jbj h ASN 34 Ca -0.47 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.70 1jbj h ASN 34 Cb 1.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.77 1jbj h ASN 34 CO 0.71 0.00 -0.30 1.23 -0.37 0.00 0.00 177.43 178.70 1jbj h GLY 35 N 0.00 0.00 -4.16 1.57 0.00 -1.93 -3.49 103.07 95.05 1jbj h GLY 35 Ca 0.39 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.38 1jbj h GLY 35 CO -0.00 0.00 -0.74 1.20 0.00 0.00 0.00 176.54 176.99 1jbj s GLN 36 N -1.85 0.76 0.11 4.80 -1.52 -1.08 -5.15 119.66 115.73 1jbj s GLN 36 Ca -0.09 -1.01 -0.12 0.00 -1.95 0.00 0.00 55.36 52.20 1jbj s GLN 36 Cb 0.01 -0.55 -0.06 0.00 -0.22 0.00 0.00 33.01 32.19 1jbj s GLN 36 CO 0.13 0.10 0.47 -1.21 -0.25 0.00 0.00 175.29 174.52 1jbj s GLU 37 N -2.22 3.85 -0.33 2.91 8.01 -1.26 -1.39 118.70 128.27 1jbj s GLU 37 Ca -0.00 0.31 0.01 0.00 0.01 0.00 0.00 54.97 55.29 1jbj s GLU 37 Cb -0.06 -2.97 0.08 0.00 -4.31 0.00 0.00 34.13 26.87 1jbj s GLU 37 CO 0.01 0.52 0.05 -0.51 0.01 0.00 0.00 175.26 175.34 1jbj s LEU 38 N -1.94 4.44 0.77 1.80 1.43 -0.89 -4.91 118.68 119.37 1jbj s LEU 38 Ca 0.35 -1.77 -0.06 0.00 -1.03 0.00 0.00 54.13 51.63 1jbj s LEU 38 Cb -0.14 -1.69 0.12 0.00 0.03 0.00 0.00 46.19 44.51 1jbj s LEU 38 CO 0.19 -0.36 1.07 -2.16 0.23 0.00 0.00 176.35 175.32 1jbj s PRO 39 N 1.09 1.60 -1.52 1.29 0.04 -1.26 -2.69 135.00 133.54 1jbj s PRO 39 Ca 0.03 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.36 1jbj s PRO 39 Cb -0.20 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1jbj s PRO 39 CO -0.05 -1.60 0.00 1.04 0.04 0.00 0.00 177.00 176.44 1jbj n GLN 40 N -3.06 -1.74 -3.24 4.56 6.02 -1.26 -4.89 117.38 113.77 1jbj n GLN 40 Ca 0.13 0.85 -0.45 0.00 -0.01 0.00 0.00 57.00 57.53 1jbj n GLN 40 Cb 0.60 -5.36 0.00 0.00 1.02 0.00 0.00 30.24 26.50 1jbj n GLN 40 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1jbj n LYS 41 N -2.59 3.73 -0.77 -1.09 3.00 -1.25 -4.86 118.16 114.33 1jbj n LYS 41 Ca -0.18 -4.44 -0.12 0.00 -0.00 0.00 0.00 58.31 53.57 1jbj n LYS 41 Cb 0.60 -2.57 0.03 0.00 0.00 0.00 0.00 35.03 33.09 1jbj n LYS 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jbj n HIS 42 N 2.54 1.07 -4.75 5.64 8.25 -1.19 -3.24 115.22 123.54 1jbj n HIS 42 Ca 0.25 -1.66 -0.24 0.00 -0.26 0.00 0.00 57.72 55.81 1jbj n HIS 42 Cb 0.38 -0.81 -0.15 0.00 1.12 0.00 0.00 29.99 30.53 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jbj s ASP 43 N 0.72 2.03 0.15 0.41 2.15 -1.26 -4.60 116.67 116.27 1jbj s ASP 43 Ca 0.21 -0.35 0.05 0.00 0.43 0.00 0.00 52.55 52.90 1jbj s ASP 43 Cb 0.17 -0.21 -0.06 0.00 -0.30 0.00 0.00 42.92 42.52 1jbj s ASP 43 CO -0.00 0.19 1.35 0.07 -0.17 0.00 0.00 175.17 176.61 1jbj h LYS 44 N 5.53 0.08 -4.55 4.34 2.10 -1.80 -3.42 116.57 118.85 1jbj h LYS 44 Ca -0.37 -0.11 -0.71 0.00 -2.00 0.00 0.00 60.65 57.46 1jbj h LYS 44 Cb 1.15 0.03 -0.26 0.00 -0.90 0.00 0.00 32.23 32.26 1jbj h LYS 44 CO 0.47 0.94 -0.51 -3.38 -2.00 0.00 0.00 179.45 174.97 1jbj s HIS 45 N -3.00 3.27 -0.04 0.07 -3.43 -1.26 0.99 115.29 111.90 1jbj s HIS 45 Ca -0.01 -1.21 -0.22 0.00 -0.80 0.00 0.00 55.06 52.82 1jbj s HIS 45 Cb 0.10 -2.58 -0.04 0.00 -1.43 0.00 0.00 32.58 28.63 1jbj s HIS 45 CO 0.82 -0.73 0.66 -1.17 -2.00 0.00 0.00 174.74 172.33 1jbj s LEU 46 N 1.49 4.36 -0.08 5.38 2.96 0.38 -4.84 118.68 128.34 1jbj s LEU 46 Ca 0.02 1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 55.11 1jbj s LEU 46 Cb -0.20 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.42 1jbj s LEU 46 CO 0.05 -0.03 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.33 1jbj s VAL 47 N 0.41 4.07 -0.46 1.68 1.01 -1.26 0.10 120.40 125.96 1jbj s VAL 47 Ca 0.35 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1jbj s VAL 47 Cb -0.18 -2.70 0.12 0.00 0.00 0.00 0.00 36.38 33.62 1jbj s VAL 47 CO 0.18 0.60 0.19 -0.76 0.00 0.00 0.00 175.10 175.31 1jbj s LEU 48 N -0.87 4.56 -0.20 3.92 1.43 0.40 -4.93 118.68 122.98 1jbj s LEU 48 Ca 0.13 -2.67 -0.29 0.00 -1.03 0.00 0.00 54.13 50.27 1jbj s LEU 48 Cb -0.11 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1jbj s LEU 48 CO 0.02 -0.30 1.13 -1.10 0.23 0.00 0.00 176.35 176.33 1jbj s GLN 49 N 0.19 4.25 -0.22 1.70 -0.21 -1.26 0.12 119.66 124.23 1jbj s GLN 49 Ca 0.15 1.49 -0.01 0.00 0.02 0.00 0.00 55.36 57.00 1jbj s GLN 49 Cb -0.23 -3.69 0.00 0.00 1.00 0.00 0.00 33.01 30.09 1jbj s GLN 49 CO -0.03 -0.66 0.21 -3.47 -2.12 0.00 0.00 175.29 169.22 1jbj n ASP 50 N 6.44 -3.81 -4.73 5.90 -0.08 0.34 -4.95 116.55 115.66 1jbj n ASP 50 Ca 0.13 0.01 -0.41 0.00 -1.51 0.00 0.00 54.79 53.00 1jbj n ASP 50 Cb 0.46 -2.34 -0.04 0.00 2.34 0.00 0.00 41.12 41.53 1jbj n ASP 50 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1jbj s PHE 51 N -2.78 3.73 -0.38 -0.67 5.36 -1.19 -5.03 117.98 117.03 1jbj s PHE 51 Ca 0.01 1.72 0.01 0.00 -0.96 0.00 0.00 56.93 57.71 1jbj s PHE 51 Cb -0.00 -3.12 0.13 0.00 -0.34 0.00 0.00 43.02 39.68 1jbj s PHE 51 CO 0.23 -0.04 0.19 -1.12 -1.46 0.00 0.00 175.22 173.03 1jbj s SER 52 N 0.23 3.57 0.10 6.13 0.01 -1.26 -3.46 113.70 119.02 1jbj s SER 52 Ca 0.49 -2.20 -0.22 0.00 1.31 0.00 0.00 55.95 55.33 1jbj s SER 52 Cb -0.24 -0.80 -0.12 0.00 0.21 0.00 0.00 66.02 65.07 1jbj s SER 52 CO 0.30 -0.32 1.74 -0.08 0.41 0.00 0.00 173.24 175.29 1jbj h GLU 53 N 7.23 0.05 -1.68 12.44 4.22 -1.95 -2.41 114.58 132.48 1jbj h GLU 53 Ca -0.03 -0.00 0.50 0.00 0.08 0.00 0.00 59.36 59.90 1jbj h GLU 53 Cb 0.96 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.12 1jbj h GLU 53 CO 0.42 0.03 1.19 0.28 -2.18 0.00 0.00 179.01 178.76 1jbj h VAL 54 N 0.05 0.11 0.79 0.32 2.07 -1.94 0.10 116.25 117.76 1jbj h VAL 54 Ca 0.02 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1jbj h VAL 54 Cb 0.01 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1jbj h VAL 54 CO -0.02 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.75 1jbj h GLU 55 N 0.02 -1.16 0.00 1.57 5.08 -1.86 -3.45 114.58 114.77 1jbj h GLU 55 Ca 0.84 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.28 1jbj h GLU 55 Cb 3.22 0.26 0.00 0.00 0.50 0.00 0.00 28.75 32.74 1jbj h GLU 55 CO -0.09 -0.77 0.00 -0.40 -1.00 0.00 0.00 179.01 176.74 1jbj n ASP 56 N -5.62 0.00 -4.11 1.42 5.68 0.01 -5.17 116.55 108.76 1jbj n ASP 56 Ca -0.15 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.83 1jbj n ASP 56 Cb 0.50 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.61 1jbj n ASP 56 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1jbj n SER 57 N 0.00 -2.60 0.00 -1.12 7.64 -1.13 -4.99 113.62 111.41 1jbj n SER 57 Ca 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1jbj n SER 57 Cb 0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1jbj n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jbj n GLY 58 N 2.47 1.84 3.43 0.23 0.00 -1.17 -5.05 105.19 106.93 1jbj n GLY 58 Ca 0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1jbj n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbj s TYR 59 N 0.06 1.91 0.04 1.61 1.51 -1.26 -1.39 117.35 119.84 1jbj s TYR 59 Ca 0.00 -0.84 -0.03 0.00 -1.01 0.00 0.00 57.07 55.19 1jbj s TYR 59 Cb 0.00 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 1jbj s TYR 59 CO 0.00 0.12 0.02 0.71 -1.11 0.00 0.00 175.55 175.29 1jbj s TYR 60 N -3.19 0.36 -0.01 2.71 2.02 -0.89 -2.41 117.35 115.94 1jbj s TYR 60 Ca 0.32 -0.78 -0.17 0.00 -0.37 0.00 0.00 57.07 56.07 1jbj s TYR 60 Cb 0.06 -0.26 0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1jbj s TYR 60 CO 0.13 -0.36 0.37 0.54 -1.57 0.00 0.00 175.55 174.66 1jbj s VAL 61 N -3.14 0.05 -0.03 0.71 0.11 -0.16 -2.51 120.40 115.44 1jbj s VAL 61 Ca -0.00 -0.44 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 1jbj s VAL 61 Cb 0.02 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1jbj s VAL 61 CO -0.07 -0.24 0.08 0.00 -3.33 0.00 0.00 175.10 171.54 1jbj s TYR 63 N 0.22 -0.17 0.21 0.00 1.13 -0.99 -4.80 117.35 112.94 1jbj s TYR 63 Ca -0.01 -0.29 0.06 0.00 -1.41 0.00 0.00 57.07 55.41 1jbj s TYR 63 Cb -0.02 0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 41.50 1jbj s TYR 63 CO -0.01 -1.23 -0.10 0.95 -2.51 0.00 0.00 175.55 172.65 1jbj s THR 64 N -3.80 1.49 0.47 -3.49 -4.23 -0.59 -2.32 115.64 103.18 1jbj s THR 64 Ca 0.11 -2.14 0.22 0.00 -1.18 0.00 0.00 61.69 58.70 1jbj s THR 64 Cb -0.06 -2.10 0.40 0.00 1.34 0.00 0.00 72.50 72.09 1jbj s THR 64 CO 0.07 -0.55 1.90 -0.65 -0.54 0.00 0.00 174.62 174.85 1jbj h PRO 65 N 2.56 0.23 0.00 3.99 0.11 -2.01 -0.42 132.00 136.46 1jbj h PRO 65 Ca -0.38 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.58 1jbj h PRO 65 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1jbj h PRO 65 CO 0.63 0.15 -1.74 0.00 -0.21 0.00 0.00 178.00 176.84 1jbj n ALA 66 N -2.59 2.20 -3.56 -0.75 0.00 -1.26 -4.59 120.51 109.97 1jbj n ALA 66 Ca 0.16 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.62 1jbj n ALA 66 Cb 0.71 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 1jbj n ALA 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jbj n SER 67 N -2.64 4.10 -4.01 0.00 2.88 -0.18 -4.98 113.62 108.80 1jbj n SER 67 Ca -0.11 -3.28 -0.43 0.00 -1.33 0.00 0.00 58.87 53.72 1jbj n SER 67 Cb 0.78 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1jbj n SER 67 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1jbj n ASN 68 N 1.67 4.55 -4.74 -3.46 2.85 -1.14 -1.54 115.26 113.46 1jbj n ASN 68 Ca 0.24 -2.94 -0.36 0.00 -0.11 0.00 0.00 54.58 51.42 1jbj n ASN 68 Cb 0.37 -1.62 -0.08 0.00 1.24 0.00 0.00 39.78 39.69 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1jbj s LYS 69 N 2.47 3.30 -0.37 1.20 -0.14 -1.26 -5.06 119.74 119.89 1jbj s LYS 69 Ca 0.46 -0.31 -0.13 0.00 -1.36 0.00 0.00 55.97 54.64 1jbj s LYS 69 Cb 0.09 -2.99 0.01 0.00 -1.68 0.00 0.00 37.83 33.26 1jbj s LYS 69 CO -0.02 0.66 0.24 -0.80 -0.76 0.00 0.00 175.35 174.66 1jbj s ASN 70 N -0.72 5.91 -0.27 2.83 0.01 -1.26 -4.71 114.94 116.72 1jbj s ASN 70 Ca 0.12 -0.76 -0.02 0.00 -0.71 0.00 0.00 52.86 51.49 1jbj s ASN 70 Cb -0.12 -2.09 0.09 0.00 0.41 0.00 0.00 41.25 39.54 1jbj s ASN 70 CO 0.03 -0.34 0.09 -0.89 -1.51 0.00 0.00 177.10 174.47 1jbj s THR 71 N 1.64 0.59 -0.45 1.60 2.01 -1.26 -4.94 115.64 114.83 1jbj s THR 71 Ca 0.04 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 1jbj s THR 71 Cb -0.18 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.00 1jbj s THR 71 CO 0.09 -0.56 0.80 -0.31 -0.69 0.00 0.00 174.62 173.95 1jbj s TYR 72 N 1.78 2.98 -0.13 4.92 2.02 -1.26 -4.41 117.35 123.25 1jbj s TYR 72 Ca 0.07 0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 56.88 1jbj s TYR 72 Cb -0.17 -3.71 -0.04 0.00 -0.40 0.00 0.00 41.96 37.64 1jbj s TYR 72 CO -0.23 -1.01 0.11 -1.17 -1.57 0.00 0.00 175.55 171.69 1jbj s LEU 73 N 3.35 4.19 -0.57 -1.29 0.20 -1.04 -4.22 118.68 119.30 1jbj s LEU 73 Ca 0.31 0.36 -0.20 0.00 0.69 0.00 0.00 54.13 55.29 1jbj s LEU 73 Cb -0.12 -2.03 0.08 0.00 -0.43 0.00 0.00 46.19 43.70 1jbj s LEU 73 CO 0.23 0.36 0.73 -0.47 -0.29 0.00 0.00 176.35 176.90 1jbj s TYR 74 N -0.71 2.96 -0.34 5.38 5.04 -0.52 -2.10 117.35 127.06 1jbj s TYR 74 Ca 0.13 -0.74 -0.13 0.00 -2.44 0.00 0.00 57.07 53.88 1jbj s TYR 74 Cb -0.12 -3.92 -0.01 0.00 0.35 0.00 0.00 41.96 38.26 1jbj s TYR 74 CO 0.03 -1.27 0.27 -1.17 -1.34 0.00 0.00 175.55 172.06 1jbj s LEU 75 N 2.91 4.54 -0.23 6.97 0.20 -0.48 -2.07 118.68 130.52 1jbj s LEU 75 Ca 0.15 -0.41 -0.03 0.00 0.69 0.00 0.00 54.13 54.53 1jbj s LEU 75 Cb -0.21 -2.18 0.10 0.00 -0.43 0.00 0.00 46.19 43.47 1jbj s LEU 75 CO 0.09 -0.27 0.23 -0.75 -0.29 0.00 0.00 176.35 175.36 1jbj s LYS 76 N 1.78 0.22 0.05 1.98 2.20 -0.40 -3.03 119.74 122.54 1jbj s LYS 76 Ca 0.07 0.09 -0.22 0.00 -0.36 0.00 0.00 55.97 55.55 1jbj s LYS 76 Cb -0.17 -1.09 0.05 0.00 -1.51 0.00 0.00 37.83 35.11 1jbj s LYS 76 CO 0.11 -0.75 0.53 0.00 -0.36 0.00 0.00 175.35 174.87 1jbj s ALA 77 N 2.32 -1.34 0.05 3.13 0.00 -1.26 -3.23 121.76 121.43 1jbj s ALA 77 Ca 0.08 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1jbj s ALA 77 Cb -0.15 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1jbj s ALA 77 CO -0.18 -0.52 -0.18 0.50 0.00 0.00 0.00 175.76 175.38 1jbj s ARG 78 N -2.50 1.18 0.11 0.00 3.52 -1.26 -3.37 118.95 116.64 1jbj s ARG 78 Ca -0.05 -0.91 0.06 0.00 -0.13 0.00 0.00 55.73 54.70 1jbj s ARG 78 Cb -0.01 -1.28 -0.04 0.00 -1.56 0.00 0.00 34.95 32.07 1jbj s ARG 78 CO -0.02 0.32 -0.14 0.14 -0.81 0.00 0.00 175.30 174.79 1jbj s VAL 79 N -0.88 1.30 0.29 7.11 -7.23 -1.22 -5.03 120.40 114.74 1jbj s VAL 79 Ca 0.05 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.27 1jbj s VAL 79 Cb -0.09 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.29 1jbj s VAL 79 CO 0.02 -0.38 1.22 -0.83 -0.31 0.00 0.00 175.10 174.82 1jbj s GLY 80 N -2.34 2.93 -0.77 2.32 0.00 -1.26 -4.88 107.32 103.32 1jbj s GLY 80 Ca 0.07 1.09 -0.23 0.00 0.00 0.00 0.00 44.72 45.65 1jbj s GLY 80 CO 0.03 1.78 1.91 1.44 0.00 0.00 0.00 173.10 178.26 1jbj n SER 81 N 1.30 2.48 -2.33 1.64 7.64 -1.26 -4.58 113.62 118.51 1jbj n SER 81 Ca 0.01 -2.67 -0.27 0.00 1.01 0.00 0.00 58.87 56.95 1jbj n SER 81 Cb 0.43 -1.15 0.01 0.00 -1.01 0.00 0.00 64.21 62.49 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbj n ALA 82 N 8.44 5.18 -2.77 -0.43 0.00 -1.26 -4.60 120.51 125.06 1jbj n ALA 82 Ca 0.49 -4.09 -0.00 0.00 0.00 0.00 0.00 53.44 49.83 1jbj n ALA 82 Cb 0.41 -0.58 0.06 0.00 0.00 0.00 0.00 19.45 19.34 1jbj n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jbj n ASP 83 N -0.58 0.89 -1.55 0.00 -0.08 -1.26 -4.97 116.55 108.99 1jbj n ASP 83 Ca 0.43 -2.06 0.01 0.00 -1.51 0.00 0.00 54.79 51.65 1jbj n ASP 83 Cb 0.75 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1jbj n ASP 84 N -0.72 -0.23 -4.11 1.67 -0.08 -1.26 -5.12 116.55 106.70 1jbj n ASP 84 Ca 0.01 -1.05 -0.10 0.00 -1.51 0.00 0.00 54.79 52.14 1jbj n ASP 84 Cb 0.83 0.36 -0.09 0.00 2.34 0.00 0.00 41.12 44.57 1jbj n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj s ALA 85 N -1.20 0.68 0.32 -1.67 0.00 -1.26 -5.05 121.76 113.58 1jbj s ALA 85 Ca 0.06 -1.36 0.12 0.00 0.00 0.00 0.00 51.96 50.77 1jbj s ALA 85 Cb -0.00 1.01 0.53 0.00 0.00 0.00 0.00 23.12 24.66 1jbj s ALA 85 CO -0.00 -0.57 1.71 -0.22 0.00 0.00 0.00 175.76 176.68 1jbj h LYS 86 N 2.69 0.00 0.00 0.00 3.64 -2.00 -2.78 116.57 118.13 1jbj h LYS 86 Ca -0.34 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1jbj h LYS 86 Cb 1.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1jbj h LYS 86 CO 0.54 0.50 -0.01 0.87 -2.27 0.00 0.00 179.45 179.08 1jbj h LYS 87 N 0.00 0.00 -6.47 1.90 1.57 -2.05 -3.44 116.57 108.08 1jbj h LYS 87 Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.17 1jbj h LYS 87 Cb 0.89 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.26 1jbj h LYS 87 CO 0.06 0.01 0.69 -3.47 -0.57 0.00 0.00 179.45 176.17 1jbj n ASP 88 N -3.41 2.73 -1.45 0.86 2.03 -1.05 -4.65 116.55 111.62 1jbj n ASP 88 Ca -0.03 1.10 0.18 0.00 0.52 0.00 0.00 54.79 56.57 1jbj n ASP 88 Cb 0.10 -1.38 -0.07 0.00 -0.72 0.00 0.00 41.12 39.05 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jbj n ALA 89 N 2.96 -3.80 -1.49 -1.67 0.00 -1.26 -4.09 120.51 111.16 1jbj n ALA 89 Ca 0.16 0.71 -0.36 0.00 0.00 0.00 0.00 53.44 53.96 1jbj n ALA 89 Cb 0.27 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 1jbj n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbj n ALA 90 N -3.37 7.16 -2.15 0.00 0.00 -1.26 -4.56 120.51 116.32 1jbj n ALA 90 Ca -0.04 -3.47 -0.19 0.00 0.00 0.00 0.00 53.44 49.73 1jbj n ALA 90 Cb 0.68 -3.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 1jbj n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 91 N 2.75 -1.68 -2.69 0.00 3.00 -1.26 -3.93 118.16 114.35 1jbj n LYS 91 Ca 0.68 0.99 -0.04 0.00 -0.00 0.00 0.00 58.31 59.95 1jbj n LYS 91 Cb 0.33 -5.56 -0.03 0.00 0.00 0.00 0.00 35.03 29.77 1jbj n LYS 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1jbj n LYS 92 N -2.76 -3.97 0.11 1.64 5.02 -1.26 -4.96 118.16 111.97 1jbj n LYS 92 Ca -0.22 3.06 -0.04 0.00 -2.02 0.00 0.00 58.31 59.09 1jbj n LYS 92 Cb 0.66 -4.71 -0.02 0.00 -0.02 0.00 0.00 35.03 30.94 1jbj n LYS 92 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1jbj h ASP 93 N 3.93 -0.24 -1.54 4.39 5.19 -1.98 -3.48 116.42 122.69 1jbj h ASP 93 Ca -0.37 0.01 0.19 0.00 -0.62 0.00 0.00 57.03 56.24 1jbj h ASP 93 Cb 0.87 0.06 -0.28 0.00 0.18 0.00 0.00 39.33 40.16 1jbj h ASP 93 CO 0.03 -0.12 0.50 -0.62 -3.12 0.00 0.00 179.24 175.91 1jbj s ASP 94 N -2.99 -0.28 0.50 6.45 -1.08 -1.26 -5.18 116.67 112.82 1jbj s ASP 94 Ca -0.04 0.42 0.06 0.00 -0.52 0.00 0.00 52.55 52.47 1jbj s ASP 94 Cb 0.00 1.21 0.01 0.00 -1.46 0.00 0.00 42.92 42.68 1jbj s ASP 94 CO 0.12 -0.06 0.30 0.00 0.52 0.00 0.00 175.17 176.05 1jbj s ALA 95 N 1.63 4.16 -0.29 3.66 0.00 -1.26 -5.07 121.76 124.59 1jbj s ALA 95 Ca -0.05 -1.40 0.20 0.00 0.00 0.00 0.00 51.96 50.71 1jbj s ALA 95 Cb -0.03 -0.58 0.48 0.00 0.00 0.00 0.00 23.12 22.99 1jbj s ALA 95 CO -0.14 -0.30 1.21 1.63 0.00 0.00 0.00 175.76 178.15 1jbj n LYS 96 N -1.56 1.60 0.02 0.00 5.02 -1.26 -4.94 118.16 117.04 1jbj n LYS 96 Ca -0.03 -2.93 -0.12 0.00 -2.02 0.00 0.00 58.31 53.21 1jbj n LYS 96 Cb 0.64 -1.09 -0.07 0.00 -0.02 0.00 0.00 35.03 34.50 1jbj n LYS 96 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1jbj h LYS 97 N 2.26 0.04 -5.83 1.97 1.57 -2.07 -3.40 116.57 111.11 1jbj h LYS 97 Ca -0.21 -0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 58.04 1jbj h LYS 97 Cb 1.27 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1jbj h LYS 97 CO 0.11 0.15 1.54 0.34 -0.57 0.00 0.00 179.45 181.02 1jbj s ASP 98 N -5.35 4.98 -0.01 0.86 2.15 -1.26 -4.84 116.67 113.20 1jbj s ASP 98 Ca -0.14 1.40 -0.01 0.00 0.43 0.00 0.00 52.55 54.23 1jbj s ASP 98 Cb 0.05 -2.51 -0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1jbj s ASP 98 CO 0.67 -2.41 -0.02 0.44 -0.17 0.00 0.00 175.17 173.68 1jbj h ASP 99 N 17.11 0.00 0.00 -0.34 3.32 -1.97 -3.47 116.42 131.07 1jbj h ASP 99 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1jbj h ASP 99 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1jbj h ASP 99 CO 1.07 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 178.66 1jbj n ALA 100 N -2.37 0.00 -2.70 3.45 0.00 -1.26 -3.76 120.51 113.87 1jbj n ALA 100 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1jbj n ALA 100 Cb 0.02 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.49 1jbj n ALA 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jbj s LYS 101 N 0.00 0.11 0.08 0.00 -2.85 -1.26 -4.41 119.74 111.41 1jbj s LYS 101 Ca 0.00 -0.06 -0.17 0.00 -1.00 0.00 0.00 55.97 54.75 1jbj s LYS 101 Cb 0.00 0.01 -0.11 0.00 -2.06 0.00 0.00 37.83 35.67 1jbj s LYS 101 CO 0.00 -0.15 1.39 -0.22 0.10 0.00 0.00 175.35 176.47 1jbj h LYS 102 N 4.93 0.59 -0.48 1.78 3.64 -1.89 -3.24 116.57 121.91 1jbj h LYS 102 Ca -0.04 -0.32 -0.26 0.00 -1.27 0.00 0.00 60.65 58.76 1jbj h LYS 102 Cb 1.22 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.90 1jbj h LYS 102 CO -0.10 0.91 0.01 -0.25 -2.27 0.00 0.00 179.45 177.75 1jbj n ASP 103 N -4.35 2.91 -2.90 4.20 8.00 -1.26 -4.92 116.55 118.23 1jbj n ASP 103 Ca -0.05 -3.78 -0.21 0.00 0.71 0.00 0.00 54.79 51.47 1jbj n ASP 103 Cb 0.44 -0.66 0.04 0.00 -0.02 0.00 0.00 41.12 40.92 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 104 N -1.11 -0.42 3.72 0.44 0.00 -1.22 -4.98 105.19 101.62 1jbj n GLY 104 Ca 0.39 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 1jbj n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 105 N -2.86 6.47 -0.12 1.61 0.01 -1.26 -5.03 113.70 112.52 1jbj s SER 105 Ca 0.34 0.55 -0.29 0.00 1.31 0.00 0.00 55.95 57.86 1jbj s SER 105 Cb -0.15 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1jbj s SER 105 CO 0.42 0.07 1.82 -1.10 0.41 0.00 0.00 173.24 174.85 1jbj s GLN 106 N 0.55 3.85 -0.33 12.44 1.11 -1.26 -4.60 119.66 131.42 1jbj s GLN 106 Ca 0.18 2.07 0.03 0.00 0.01 0.00 0.00 55.36 57.65 1jbj s GLN 106 Cb -0.13 -4.11 0.32 0.00 -1.01 0.00 0.00 33.01 28.07 1jbj s GLN 106 CO 0.05 -1.25 1.36 -2.37 0.01 0.00 0.00 175.29 173.08 1jbj n THR 107 N 6.23 0.00 -4.27 -0.19 5.66 -1.26 -5.15 114.28 115.30 1jbj n THR 107 Ca 0.21 -0.69 -0.16 0.00 -3.05 0.00 0.00 64.05 60.36 1jbj n THR 107 Cb 0.44 1.09 -0.10 0.00 -1.55 0.00 0.00 70.33 70.21 1jbj n THR 107 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1jbj s ASN 108 N -0.26 0.90 -0.41 1.09 2.47 -1.26 -4.61 114.94 112.86 1jbj s ASN 108 Ca 0.22 -1.48 -0.28 0.00 0.42 0.00 0.00 52.86 51.74 1jbj s ASN 108 Cb 0.28 0.37 0.02 0.00 -1.45 0.00 0.00 41.25 40.47 1jbj s ASN 108 CO -0.17 -0.86 1.03 -0.54 -3.72 0.00 0.00 177.10 172.83 1jbj s LYS 109 N -3.95 3.81 0.06 0.43 3.01 -1.26 -4.76 119.74 117.07 1jbj s LYS 109 Ca 0.38 0.63 0.00 0.00 -1.01 0.00 0.00 55.97 55.97 1jbj s LYS 109 Cb 0.06 -3.84 0.00 0.00 -1.01 0.00 0.00 37.83 33.04 1jbj s LYS 109 CO 0.16 -1.12 0.00 0.00 0.51 0.00 0.00 175.35 174.90 1jbj n ALA 110 N 7.20 3.00 -2.55 5.17 0.00 -1.26 -5.00 120.51 127.07 1jbj n ALA 110 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 1jbj n ALA 110 Cb 0.48 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1jbj n ALA 110 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jbj s LYS 111 N -2.00 3.37 0.39 0.00 2.20 -1.26 -4.96 119.74 117.49 1jbj s LYS 111 Ca 0.00 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1jbj s LYS 111 Cb 0.00 -4.73 -0.01 0.00 -1.51 0.00 0.00 37.83 31.59 1jbj s LYS 111 CO 0.00 -2.18 0.07 0.09 -0.36 0.00 0.00 175.35 172.97 1jbj n ASN 112 N 9.18 2.11 -0.04 1.43 3.02 -1.26 -5.09 115.26 124.61 1jbj n ASN 112 Ca 0.17 -2.91 -0.09 0.00 -0.03 0.00 0.00 54.58 51.72 1jbj n ASN 112 Cb 0.50 0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 40.27 1jbj n ASN 112 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jbj n LEU 113 N 0.00 0.93 -4.11 3.41 4.77 -1.26 -4.75 117.00 115.98 1jbj n LEU 113 Ca -0.11 0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1jbj n LEU 113 Cb 0.54 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 41.23 1jbj n LEU 113 CO 0.29 0.24 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.43 1jbj s VAL 114 N -2.16 1.10 -0.10 4.08 1.01 -1.26 -3.60 120.40 119.48 1jbj s VAL 114 Ca -0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1jbj s VAL 114 Cb 0.04 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.53 1jbj s VAL 114 CO 0.15 0.24 0.07 -1.58 0.00 0.00 0.00 175.10 173.99 1jbj s GLN 115 N -0.50 0.03 -0.27 2.72 0.74 -1.15 -4.91 119.66 116.33 1jbj s GLN 115 Ca 0.05 0.17 -0.11 0.00 0.05 0.00 0.00 55.36 55.52 1jbj s GLN 115 Cb -0.06 -1.08 -0.05 0.00 1.10 0.00 0.00 33.01 32.92 1jbj s GLN 115 CO -0.00 -0.47 0.17 0.14 -0.55 0.00 0.00 175.29 174.58 1jbj s VAL 116 N 2.14 5.23 0.61 1.34 -7.23 -1.26 -0.21 120.40 121.02 1jbj s VAL 116 Ca 0.04 0.14 -0.15 0.00 -1.81 0.00 0.00 61.98 60.20 1jbj s VAL 116 Cb -0.14 -3.48 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 1jbj s VAL 116 CO -0.06 0.28 1.05 -0.62 -0.31 0.00 0.00 175.10 175.45 1jbj s ASP 117 N 1.58 5.77 0.00 4.85 -1.08 0.30 -4.80 116.67 123.29 1jbj s ASP 117 Ca 0.07 1.75 0.00 0.00 -0.52 0.00 0.00 52.55 53.85 1jbj s ASP 117 Cb -0.15 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1jbj s ASP 117 CO 0.09 -1.17 0.41 0.61 0.52 0.00 0.00 175.17 175.62 1jbj n GLY 118 N -1.24 -1.54 2.55 2.66 0.00 -1.26 -2.35 105.19 104.02 1jbj n GLY 118 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 119 N -0.08 0.33 -0.12 1.61 0.15 -1.26 -4.69 113.70 109.65 1jbj s SER 119 Ca 0.00 -2.48 0.15 0.00 0.70 0.00 0.00 55.95 54.32 1jbj s SER 119 Cb 0.00 0.49 0.56 0.00 -1.71 0.00 0.00 66.02 65.36 1jbj s SER 119 CO 0.00 -0.13 1.47 0.54 1.20 0.00 0.00 173.24 176.32 1jbj n ARG 120 N 2.97 3.34 0.00 5.44 5.12 -1.26 -4.96 116.66 127.31 1jbj n ARG 120 Ca 0.24 -2.70 0.00 0.00 -1.93 0.00 0.00 57.85 53.46 1jbj n ARG 120 Cb 0.51 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1jbj n ARG 120 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jbj n GLY 121 N 0.29 3.00 0.10 -0.13 0.00 -1.26 -4.68 105.19 102.50 1jbj n GLY 121 Ca 0.21 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.47 1jbj n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbj n ASP 122 N 1.55 0.77 0.00 1.61 9.92 -1.26 -4.97 116.55 124.17 1jbj n ASP 122 Ca 0.00 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.58 1jbj n ASP 122 Cb 0.00 0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 123 N 1.31 1.91 3.91 0.44 0.00 -1.26 -5.08 105.19 106.43 1jbj n GLY 123 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1jbj n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 124 N -2.00 6.45 -0.09 1.61 0.01 -1.26 -3.92 113.70 114.50 1jbj s SER 124 Ca 0.00 0.61 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 1jbj s SER 124 Cb 0.00 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 1jbj s SER 124 CO 0.00 -0.09 0.03 -0.69 0.41 0.00 0.00 173.24 172.89 1jbj s VAL 125 N -1.92 4.52 -0.12 3.43 1.01 -1.08 -4.03 120.40 122.21 1jbj s VAL 125 Ca 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1jbj s VAL 125 Cb -0.11 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1jbj s VAL 125 CO 0.28 0.60 0.02 -0.76 0.00 0.00 0.00 175.10 175.24 1jbj s LEU 126 N -0.95 0.77 0.16 3.92 1.02 -0.99 -2.03 118.68 120.58 1jbj s LEU 126 Ca 0.14 -0.38 -0.20 0.00 0.02 0.00 0.00 54.13 53.70 1jbj s LEU 126 Cb -0.11 -0.47 -0.08 0.00 0.02 0.00 0.00 46.19 45.55 1jbj s LEU 126 CO 0.03 -0.25 0.67 -0.76 0.02 0.00 0.00 176.35 176.07 1jbj s LEU 127 N 1.95 4.46 -0.11 1.79 1.43 -0.44 0.11 118.68 127.87 1jbj s LEU 127 Ca 0.03 1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1jbj s LEU 127 Cb -0.14 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1jbj s LEU 127 CO -0.06 0.16 -0.04 0.42 0.23 0.00 0.00 176.35 177.05 1jbj s THR 128 N -1.30 3.91 0.00 5.49 -4.23 0.71 0.11 115.64 120.32 1jbj s THR 128 Ca 0.37 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1jbj s THR 128 Cb -0.19 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1jbj s THR 128 CO 0.22 0.55 0.00 0.00 -0.54 0.00 0.00 174.62 174.85 1jbj n GLY 130 N 2.74 0.43 4.01 0.00 0.00 -1.26 -4.00 105.19 107.11 1jbj n GLY 130 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1jbj n GLY 130 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jbj n LEU 131 N 0.00 -0.34 -0.54 0.99 -0.00 -1.24 0.12 117.00 115.99 1jbj n LEU 131 Ca 0.00 -1.06 -0.06 0.00 -0.00 0.00 0.00 56.01 54.90 1jbj n LEU 131 Cb 0.00 -1.28 -0.02 0.00 -0.00 0.00 0.00 43.42 42.12 1jbj n LEU 131 CO 0.00 0.57 -0.06 0.35 -0.00 0.00 0.00 177.39 178.24 1jbj n THR 132 N -4.16 -0.12 -3.35 1.47 -2.24 -1.26 -5.00 114.28 99.62 1jbj n THR 132 Ca -0.16 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.29 1jbj n THR 132 Cb 0.50 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 1jbj n THR 132 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jbj s ASP 133 N -2.85 6.74 0.00 3.42 1.01 0.32 -4.95 116.67 120.35 1jbj s ASP 133 Ca 0.00 1.04 0.25 0.00 0.71 0.00 0.00 52.55 54.55 1jbj s ASP 133 Cb 0.00 -2.27 1.16 0.00 1.01 0.00 0.00 42.92 42.82 1jbj s ASP 133 CO 0.00 -0.02 1.82 1.17 0.21 0.00 0.00 175.17 178.35 1jbj n LYS 134 N 0.23 0.19 -4.28 8.23 4.81 -1.26 -4.64 118.16 121.43 1jbj n LYS 134 Ca -0.01 0.06 -0.21 0.00 -0.87 0.00 0.00 58.31 57.28 1jbj n LYS 134 Cb 0.52 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.91 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1jbj s THR 135 N -2.78 0.68 -0.02 3.15 2.01 -1.26 -5.10 115.64 112.33 1jbj s THR 135 Ca 0.18 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1jbj s THR 135 Cb 0.16 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 72.02 1jbj s THR 135 CO 0.41 0.25 0.01 -0.63 -0.69 0.00 0.00 174.62 173.97 1jbj s ILE 136 N 0.77 0.05 -0.24 1.82 1.01 -1.26 -3.91 121.20 119.44 1jbj s ILE 136 Ca -0.12 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 1jbj s ILE 136 Cb -0.14 -0.13 0.07 0.00 0.01 0.00 0.00 42.46 42.27 1jbj s ILE 136 CO 0.01 0.08 -0.00 -0.54 0.00 0.00 0.00 174.94 174.49 1jbj s LYS 137 N 0.68 1.25 -0.02 2.79 -0.14 -0.95 -4.96 119.74 118.39 1jbj s LYS 137 Ca -0.06 -0.93 -0.08 0.00 -1.36 0.00 0.00 55.97 53.54 1jbj s LYS 137 Cb -0.09 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.58 1jbj s LYS 137 CO -0.02 -0.69 0.27 -0.46 -0.76 0.00 0.00 175.35 173.69 1jbj s TRP 138 N 1.50 3.60 0.14 3.18 -0.11 -1.26 0.71 118.94 126.70 1jbj s TRP 138 Ca -0.01 0.63 0.06 0.00 1.22 0.00 0.00 56.10 58.00 1jbj s TRP 138 Cb -0.18 -2.03 -0.04 0.00 -1.50 0.00 0.00 33.47 29.72 1jbj s TRP 138 CO -0.10 0.64 -0.14 -0.51 -4.62 0.00 0.00 176.95 172.22 1jbj s LEU 139 N -1.52 2.44 -0.24 5.86 1.02 0.30 -2.61 118.68 123.93 1jbj s LEU 139 Ca 0.25 -0.86 0.01 0.00 0.02 0.00 0.00 54.13 53.55 1jbj s LEU 139 Cb -0.13 -0.59 0.06 0.00 0.02 0.00 0.00 46.19 45.54 1jbj s LEU 139 CO 0.13 -0.14 -0.07 -0.75 0.02 0.00 0.00 176.35 175.54 1jbj s LYS 140 N -2.88 1.82 -1.00 1.70 2.20 0.34 -2.32 119.74 119.61 1jbj s LYS 140 Ca 0.12 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 1jbj s LYS 140 Cb -0.04 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1jbj s LYS 140 CO 0.04 -0.59 0.00 -0.25 -0.36 0.00 0.00 175.35 174.19 1jbj n ASP 141 N 4.59 -3.53 0.00 1.43 8.00 -1.26 0.24 116.55 126.02 1jbj n ASP 141 Ca -0.13 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1jbj n ASP 141 Cb 0.43 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 142 N -0.68 0.88 3.00 0.44 0.00 -1.26 -5.08 105.19 102.49 1jbj n GLY 142 Ca -0.13 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1jbj n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 143 N -2.15 2.43 0.13 1.61 0.15 0.14 -5.10 113.70 110.92 1jbj s SER 143 Ca 0.00 -0.41 -0.31 0.00 0.70 0.00 0.00 55.95 55.93 1jbj s SER 143 Cb 0.00 -1.05 -0.10 0.00 -1.71 0.00 0.00 66.02 63.16 1jbj s SER 143 CO 0.00 -0.04 1.80 -0.63 1.20 0.00 0.00 173.24 175.56 1jbj s ILE 144 N 1.34 2.49 -0.23 6.45 1.09 -1.26 0.13 121.20 131.20 1jbj s ILE 144 Ca 0.00 0.08 -0.04 0.00 -1.10 0.00 0.00 60.65 59.59 1jbj s ILE 144 Cb -0.14 -3.05 0.08 0.00 -1.06 0.00 0.00 42.46 38.29 1jbj s ILE 144 CO -0.06 0.00 0.10 -0.51 -0.10 0.00 0.00 174.94 174.36 1jbj s ILE 145 N 2.46 0.09 0.16 2.92 2.07 -1.07 -4.87 121.20 122.95 1jbj s ILE 145 Ca 0.79 -0.54 0.10 0.00 -1.41 0.00 0.00 60.65 59.60 1jbj s ILE 145 Cb -0.46 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.21 1jbj s ILE 145 CO 0.35 -0.47 -0.22 -0.55 -1.91 0.00 0.00 174.94 172.15 1jbj s SER 146 N 2.04 3.59 1.06 4.50 0.15 -1.26 -4.57 113.70 119.21 1jbj s SER 146 Ca 0.05 -0.74 -0.14 0.00 0.70 0.00 0.00 55.95 55.82 1jbj s SER 146 Cb -0.16 -0.36 0.22 0.00 -1.71 0.00 0.00 66.02 64.01 1jbj s SER 146 CO -0.20 0.15 1.10 -2.16 1.20 0.00 0.00 173.24 173.32 1jbj s PRO 147 N -2.41 -0.07 -0.29 5.44 0.04 -1.26 -5.04 135.00 131.41 1jbj s PRO 147 Ca 0.19 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1jbj s PRO 147 Cb -0.09 -1.69 0.06 0.00 0.04 0.00 0.00 34.50 32.81 1jbj s PRO 147 CO 0.09 -3.03 -0.03 -1.17 0.04 0.00 0.00 177.00 172.91 1jbj s LEU 148 N -6.60 3.84 -1.02 -3.56 1.98 -1.26 -4.63 118.68 107.43 1jbj s LEU 148 Ca 0.67 -1.41 -0.00 0.00 -2.89 0.00 0.00 54.13 50.49 1jbj s LEU 148 Cb -0.16 -1.65 0.00 0.00 0.66 0.00 0.00 46.19 45.04 1jbj s LEU 148 CO 0.57 -0.25 0.01 -3.20 -1.89 0.00 0.00 176.35 171.59 1jbj n ASN 149 N 4.52 -3.83 -3.71 3.68 5.15 -1.26 -5.01 115.26 114.80 1jbj n ASN 149 Ca -0.12 -0.02 -0.12 0.00 -0.60 0.00 0.00 54.58 53.72 1jbj n ASN 149 Cb 0.43 -3.03 -0.10 0.00 -0.53 0.00 0.00 39.78 36.54 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jbj s ALA 150 N -2.61 -1.11 -0.41 5.20 0.00 -1.26 -5.09 121.76 116.48 1jbj s ALA 150 Ca 0.01 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1jbj s ALA 150 Cb -0.00 -0.81 0.26 0.00 0.00 0.00 0.00 23.12 22.57 1jbj s ALA 150 CO 0.01 -0.23 1.08 -2.37 0.00 0.00 0.00 175.76 174.24 1jbj n THR 151 N 3.29 0.00 -1.62 0.00 5.66 -1.26 -4.55 114.28 115.79 1jbj n THR 151 Ca -0.16 -1.07 -0.36 0.00 -3.05 0.00 0.00 64.05 59.41 1jbj n THR 151 Cb 0.56 1.28 0.06 0.00 -1.55 0.00 0.00 70.33 70.69 1jbj n THR 151 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1jbj n LYS 152 N 1.54 2.78 -1.29 1.09 4.81 -1.26 -4.80 118.16 121.04 1jbj n LYS 152 Ca 0.05 -3.46 -0.10 0.00 -0.87 0.00 0.00 58.31 53.93 1jbj n LYS 152 Cb 0.67 -2.28 -0.04 0.00 0.02 0.00 0.00 35.03 33.40 1jbj n LYS 152 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1jbj n ASN 153 N -0.75 -5.67 -4.48 3.14 5.15 -1.26 -4.94 115.26 106.44 1jbj n ASN 153 Ca 0.58 0.25 -0.24 0.00 -0.60 0.00 0.00 54.58 54.56 1jbj n ASN 153 Cb 0.51 -4.05 -0.10 0.00 -0.53 0.00 0.00 39.78 35.61 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jbj s THR 154 N -1.88 2.30 -0.05 -0.44 -4.23 -1.26 -2.03 115.64 108.05 1jbj s THR 154 Ca 0.00 -2.31 0.01 0.00 -1.18 0.00 0.00 61.69 58.21 1jbj s THR 154 Cb 0.00 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.46 1jbj s THR 154 CO 0.00 -0.35 -0.04 0.86 -0.54 0.00 0.00 174.62 174.55 1jbj s TRP 155 N -2.61 0.77 0.32 3.99 -0.00 0.30 -4.86 118.94 116.85 1jbj s TRP 155 Ca 0.30 -0.22 -0.28 0.00 -0.00 0.00 0.00 56.10 55.91 1jbj s TRP 155 Cb -0.02 -0.69 -0.09 0.00 -0.00 0.00 0.00 33.47 32.67 1jbj s TRP 155 CO 0.15 -0.21 1.09 1.21 -0.00 0.00 0.00 176.95 179.20 1jbj s ASN 156 N 0.98 7.08 -0.03 5.86 3.84 -1.26 -1.33 114.94 130.08 1jbj s ASN 156 Ca -0.10 2.22 0.00 0.00 0.21 0.00 0.00 52.86 55.19 1jbj s ASN 156 Cb -0.14 -2.62 -0.02 0.00 -0.55 0.00 0.00 41.25 37.92 1jbj s ASN 156 CO -0.00 -0.28 -0.03 0.18 -2.79 0.00 0.00 177.10 174.19 1jbj n LEU 157 N 0.78 2.94 0.00 3.21 4.77 -0.86 -4.95 117.00 122.89 1jbj n LEU 157 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1jbj n LEU 157 Cb 0.46 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1jbj n LEU 157 CO 0.51 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1jbj n GLY 158 N 3.35 0.34 3.30 -0.72 0.00 -1.26 -4.87 105.19 105.34 1jbj n GLY 158 Ca -0.05 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1jbj n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jbj s ASN 159 N -4.00 4.81 0.57 1.61 2.47 -1.26 -2.62 114.94 116.52 1jbj s ASN 159 Ca 0.00 -0.73 0.44 0.00 0.42 0.00 0.00 52.86 52.99 1jbj s ASN 159 Cb 0.00 -1.80 1.51 0.00 -1.45 0.00 0.00 41.25 39.51 1jbj s ASN 159 CO 0.00 -0.16 1.48 -0.46 -3.72 0.00 0.00 177.10 174.25 1jbj n ASN 160 N 4.80 0.00 0.04 -4.21 0.23 -1.25 0.28 115.26 115.15 1jbj n ASN 160 Ca -0.15 0.93 -0.12 0.00 -0.53 0.00 0.00 54.58 54.70 1jbj n ASN 160 Cb 0.48 -0.43 -0.01 0.00 -2.08 0.00 0.00 39.78 37.74 1jbj n ASN 160 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jbj h ALA 161 N 0.86 0.48 0.00 -2.53 0.00 -1.93 -3.23 119.26 112.91 1jbj h ALA 161 Ca 0.82 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jbj h ALA 161 Cb 3.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 21.30 1jbj h ALA 161 CO -0.01 0.76 -0.43 1.17 0.00 0.00 0.00 179.25 180.74 1jbj n LYS 162 N -3.83 4.35 -2.32 0.00 4.81 0.43 -4.71 118.16 116.89 1jbj n LYS 162 Ca -0.05 -0.01 -0.24 0.00 -0.87 0.00 0.00 58.31 57.14 1jbj n LYS 162 Cb 0.75 -0.80 0.01 0.00 0.02 0.00 0.00 35.03 35.01 1jbj n LYS 162 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jbj n ASP 163 N -1.23 4.47 -4.81 3.14 9.92 0.80 -4.89 116.55 123.95 1jbj n ASP 163 Ca 0.00 -3.60 -0.33 0.00 -0.53 0.00 0.00 54.79 50.34 1jbj n ASP 163 Cb 0.08 -0.42 -0.02 0.00 -0.64 0.00 0.00 41.12 40.12 1jbj n ASP 163 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1jbj s PRO 164 N -3.55 3.72 0.29 -0.24 0.04 -1.22 -4.57 135.00 129.46 1jbj s PRO 164 Ca 0.47 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1jbj s PRO 164 Cb 0.40 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1jbj s PRO 164 CO -0.08 -0.47 0.00 -2.13 0.04 0.00 0.00 177.00 174.36 1jbj n ARG 165 N -1.48 -5.13 -3.57 4.56 0.63 -1.18 -5.03 116.66 105.46 1jbj n ARG 165 Ca 0.08 3.68 -0.13 0.00 -0.92 0.00 0.00 57.85 60.57 1jbj n ARG 165 Cb 0.53 -3.99 -0.06 0.00 0.45 0.00 0.00 32.46 29.39 1jbj n ARG 165 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1jbj s GLY 166 N -1.27 -0.35 -0.12 5.14 0.00 -0.59 -4.95 107.32 105.18 1jbj s GLY 166 Ca 0.00 1.90 0.01 0.00 0.00 0.00 0.00 44.72 46.63 1jbj s GLY 166 CO 0.00 1.12 -0.13 -1.59 0.00 0.00 0.00 173.10 172.50 1jbj s THR 167 N -0.95 1.39 -0.04 0.90 2.01 -1.24 0.11 115.64 117.83 1jbj s THR 167 Ca -0.04 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1jbj s THR 167 Cb -0.01 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.22 1jbj s THR 167 CO 0.03 0.42 0.00 -0.31 -0.69 0.00 0.00 174.62 174.08 1jbj s TYR 168 N 1.24 0.38 -0.12 4.92 1.51 -0.84 -4.61 117.35 119.82 1jbj s TYR 168 Ca -0.02 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1jbj s TYR 168 Cb -0.14 -0.49 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1jbj s TYR 168 CO -0.05 -0.17 -0.07 1.14 -1.11 0.00 0.00 175.55 175.30 1jbj s GLN 169 N 1.23 3.31 0.39 -0.62 -2.07 -0.98 0.17 119.66 121.10 1jbj s GLN 169 Ca -0.07 -0.56 0.06 0.00 -1.82 0.00 0.00 55.36 52.97 1jbj s GLN 169 Cb -0.13 -2.75 -0.07 0.00 -1.09 0.00 0.00 33.01 28.97 1jbj s GLN 169 CO -0.02 0.38 0.03 0.00 -1.32 0.00 0.00 175.29 174.35 1jbj s GLN 171 N -3.77 1.46 0.28 0.00 0.74 0.22 -1.06 119.66 117.53 1jbj s GLN 171 Ca 0.33 -0.23 0.04 0.00 0.05 0.00 0.00 55.36 55.55 1jbj s GLN 171 Cb 0.09 -1.54 -0.03 0.00 1.10 0.00 0.00 33.01 32.63 1jbj s GLN 171 CO 0.16 -0.27 0.42 0.20 -0.55 0.00 0.00 175.29 175.25 1jbj s GLY 172 N 1.73 1.27 0.07 2.59 0.00 0.33 -2.24 107.32 111.06 1jbj s GLY 172 Ca 0.05 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 1jbj s GLY 172 CO -0.08 -1.14 0.60 0.00 0.00 0.00 0.00 173.10 172.48 1jbj n ALA 173 N -1.53 -0.22 -0.87 3.20 0.00 -1.25 -1.90 120.51 117.93 1jbj n ALA 173 Ca -0.07 0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.71 1jbj n ALA 173 Cb 0.57 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.97 1jbj n ALA 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 174 N -4.50 1.04 -3.63 0.00 3.00 -1.26 -5.02 118.16 107.80 1jbj n LYS 174 Ca 0.01 -1.11 -0.21 0.00 -0.00 0.00 0.00 58.31 57.01 1jbj n LYS 174 Cb 0.11 -0.76 -0.17 0.00 0.00 0.00 0.00 35.03 34.21 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jbj s GLU 175 N -0.62 0.02 -0.26 1.64 0.41 -0.80 -5.13 118.70 113.96 1jbj s GLU 175 Ca 0.04 0.27 -0.14 0.00 -0.41 0.00 0.00 54.97 54.73 1jbj s GLU 175 Cb 0.03 -0.91 -0.04 0.00 -1.78 0.00 0.00 34.13 31.43 1jbj s GLU 175 CO 0.00 -0.46 0.32 0.99 -0.49 0.00 0.00 175.26 175.62 1jbj s THR 176 N 2.21 5.22 0.33 3.63 2.01 -1.26 0.12 115.64 127.90 1jbj s THR 176 Ca 0.04 0.47 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 1jbj s THR 176 Cb -0.14 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.63 1jbj s THR 176 CO -0.06 0.20 0.86 -0.55 -0.69 0.00 0.00 174.62 174.38 1jbj s SER 177 N 1.57 7.07 0.68 3.53 0.15 -0.22 -4.90 113.70 121.58 1jbj s SER 177 Ca 0.13 1.61 -0.09 0.00 0.70 0.00 0.00 55.95 58.30 1jbj s SER 177 Cb -0.16 -2.50 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1jbj s SER 177 CO 0.10 -0.15 1.03 0.20 1.20 0.00 0.00 173.24 175.61 1jbj s ASN 178 N -1.89 5.27 -0.34 5.45 0.01 -1.26 -2.55 114.94 119.63 1jbj s ASN 178 Ca 0.53 0.83 -0.37 0.00 -0.71 0.00 0.00 52.86 53.13 1jbj s ASN 178 Cb -0.14 -1.63 -0.13 0.00 0.41 0.00 0.00 41.25 39.76 1jbj s ASN 178 CO 0.19 -1.36 2.08 -2.65 -1.51 0.00 0.00 177.10 173.85 1jbj n PRO 179 N -2.88 0.99 -2.57 -0.60 -0.02 -1.25 -4.47 135.00 124.19 1jbj n PRO 179 Ca 0.06 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 1jbj n PRO 179 Cb 0.58 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jbj s LEU 180 N 6.27 3.77 -0.93 2.45 2.96 0.46 -4.63 118.68 129.03 1jbj s LEU 180 Ca 1.08 0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 55.58 1jbj s LEU 180 Cb -0.98 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 42.25 1jbj s LEU 180 CO 0.55 -1.11 1.26 -1.58 -1.32 0.00 0.00 176.35 174.14 1jbj s GLN 181 N 4.17 3.52 -0.62 1.98 2.00 -1.25 -2.00 119.66 127.47 1jbj s GLN 181 Ca 0.49 -1.30 -0.28 0.00 -2.00 0.00 0.00 55.36 52.27 1jbj s GLN 181 Cb -0.11 -4.99 0.02 0.00 0.80 0.00 0.00 33.01 28.74 1jbj s GLN 181 CO 0.25 -1.99 1.29 0.08 -0.50 0.00 0.00 175.29 174.42 1jbj s VAL 182 N 3.98 3.86 -0.29 1.34 1.01 0.29 -1.44 120.40 129.16 1jbj s VAL 182 Ca 0.37 0.70 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 1jbj s VAL 182 Cb -0.04 -4.68 0.04 0.00 0.00 0.00 0.00 36.38 31.70 1jbj s VAL 182 CO -0.06 -1.42 -0.02 -0.47 0.00 0.00 0.00 175.10 173.12 1jbj s TYR 183 N 5.55 3.22 -0.02 5.22 6.14 -0.88 -1.54 117.35 135.04 1jbj s TYR 183 Ca 0.44 -1.81 -0.07 0.00 0.64 0.00 0.00 57.07 56.26 1jbj s TYR 183 Cb -0.09 -2.09 -0.02 0.00 0.42 0.00 0.00 41.96 40.18 1jbj s TYR 183 CO 0.22 -0.79 -0.14 0.66 0.64 0.00 0.00 175.55 176.14 1jbj n TYR 184 N 4.63 0.00 -2.58 4.97 4.02 -1.20 -1.27 117.16 125.73 1jbj n TYR 184 Ca -0.14 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.70 1jbj n TYR 184 Cb 0.44 -0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 39.52 1jbj n TYR 184 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1jbj n ARG 185 N -3.87 -4.35 -0.55 -0.72 3.00 -1.26 -4.09 116.66 104.81 1jbj n ARG 185 Ca -0.06 3.31 0.00 0.00 -0.00 0.00 0.00 57.85 61.10 1jbj n ARG 185 Cb 0.21 -5.02 0.00 0.00 0.00 0.00 0.00 32.46 27.65 1jbj n ARG 185 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30