#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 -5.45 -3.64 1.67 -0.08 -1.26 -4.98 116.55 102.81 1jbj n ASP 2 Ca 0.00 -0.20 -0.06 0.00 -1.51 0.00 0.00 54.79 53.02 1jbj n ASP 2 Cb 0.00 -4.34 -0.07 0.00 2.34 0.00 0.00 41.12 39.06 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj s ALA 3 N -3.05 -2.11 0.27 -1.67 0.00 -1.26 -5.18 121.76 108.76 1jbj s ALA 3 Ca 0.20 1.98 0.07 0.00 0.00 0.00 0.00 51.96 54.22 1jbj s ALA 3 Cb -0.09 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 1jbj s ALA 3 CO 0.25 -0.27 0.22 -2.00 0.00 0.00 0.00 175.76 173.97 1jbj s GLU 4 N 0.63 2.91 -0.23 0.00 2.56 -1.26 -5.04 118.70 118.28 1jbj s GLU 4 Ca -0.01 -1.09 0.09 0.00 0.00 0.00 0.00 54.97 53.96 1jbj s GLU 4 Cb -0.04 -2.56 0.28 0.00 2.00 0.00 0.00 34.13 33.80 1jbj s GLU 4 CO -0.10 0.35 1.22 -1.71 -0.56 0.00 0.00 175.26 174.46 1jbj n ASN 5 N -1.23 -1.03 -4.97 -1.70 2.85 -1.26 -5.15 115.26 102.77 1jbj n ASN 5 Ca -0.07 -1.85 -0.19 0.00 -0.11 0.00 0.00 54.58 52.36 1jbj n ASN 5 Cb 0.58 0.48 0.05 0.00 1.24 0.00 0.00 39.78 42.13 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1jbj s ILE 6 N 0.09 2.44 0.40 -1.44 -1.09 -1.26 -5.13 121.20 115.20 1jbj s ILE 6 Ca 0.06 -0.92 0.08 0.00 -2.23 0.00 0.00 60.65 57.64 1jbj s ILE 6 Cb 0.30 -2.53 -0.05 0.00 -1.58 0.00 0.00 42.46 38.61 1jbj s ILE 6 CO -0.09 0.00 0.18 -1.61 -1.23 0.00 0.00 174.94 172.19 1jbj s GLU 7 N -4.65 2.26 0.20 2.79 2.02 -1.26 -4.86 118.70 115.21 1jbj s GLU 7 Ca 0.60 -1.77 -0.32 0.00 0.02 0.00 0.00 54.97 53.50 1jbj s GLU 7 Cb -0.07 -2.04 -0.12 0.00 0.10 0.00 0.00 34.13 31.99 1jbj s GLU 7 CO 0.38 -0.08 1.71 0.66 0.02 0.00 0.00 175.26 177.95 1jbj n TYR 8 N -1.24 2.70 -3.80 1.61 4.01 -1.26 -4.83 117.16 114.35 1jbj n TYR 8 Ca -0.01 0.07 -0.36 0.00 -0.16 0.00 0.00 57.90 57.43 1jbj n TYR 8 Cb 0.64 -2.66 -0.13 0.00 -0.31 0.00 0.00 39.34 36.88 1jbj n TYR 8 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1jbj s LYS 9 N 1.12 3.25 -0.03 -0.72 1.02 -1.02 -4.86 119.74 118.50 1jbj s LYS 9 Ca 0.75 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 56.02 1jbj s LYS 9 Cb -0.53 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 1jbj s LYS 9 CO 0.33 -0.34 -0.05 0.08 -0.92 0.00 0.00 175.35 174.46 1jbj s VAL 10 N 1.51 3.81 -0.22 3.17 1.01 -1.25 0.11 120.40 128.54 1jbj s VAL 10 Ca 0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1jbj s VAL 10 Cb -0.16 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.70 1jbj s VAL 10 CO 0.01 0.48 0.44 -0.55 0.00 0.00 0.00 175.10 175.48 1jbj s SER 11 N -1.20 -0.32 -0.19 3.32 0.15 0.17 -4.93 113.70 110.71 1jbj s SER 11 Ca 0.16 0.95 -0.24 0.00 0.70 0.00 0.00 55.95 57.52 1jbj s SER 11 Cb -0.11 1.45 -0.02 0.00 -1.71 0.00 0.00 66.02 65.63 1jbj s SER 11 CO 0.06 -0.24 0.77 -0.63 1.20 0.00 0.00 173.24 174.39 1jbj s ILE 12 N 2.64 4.92 -0.26 6.45 1.09 -1.26 -0.06 121.20 134.72 1jbj s ILE 12 Ca 0.01 1.48 0.02 0.00 -1.10 0.00 0.00 60.65 61.05 1jbj s ILE 12 Cb -0.13 -4.07 0.07 0.00 -1.06 0.00 0.00 42.46 37.27 1jbj s ILE 12 CO -0.14 0.04 -0.04 -0.44 -0.10 0.00 0.00 174.94 174.25 1jbj s SER 13 N 1.21 4.14 -1.03 3.58 0.01 0.73 -4.85 113.70 117.49 1jbj s SER 13 Ca 0.35 -1.41 -0.14 0.00 1.31 0.00 0.00 55.95 56.06 1jbj s SER 13 Cb -0.16 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 1jbj s SER 13 CO 0.11 -0.26 0.78 0.61 0.41 0.00 0.00 173.24 174.89 1jbj n GLY 14 N 4.57 -1.09 2.82 3.44 0.00 -1.26 -1.30 105.19 112.36 1jbj n GLY 14 Ca -0.09 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.53 0.00 -4.75 2.61 -1.04 -1.26 -4.85 114.28 101.46 1jbj n THR 15 Ca -0.10 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 1jbj n THR 15 Cb 0.59 -0.79 -0.16 0.00 -1.82 0.00 0.00 70.33 68.15 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 -2.00 3.20 0.28 8.00 0.01 -0.42 -0.25 113.70 122.52 1jbj s SER 16 Ca 0.00 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 1jbj s SER 16 Cb 0.00 -1.46 -0.08 0.00 0.21 0.00 0.00 66.02 64.69 1jbj s SER 16 CO 0.00 0.10 0.63 -0.69 0.41 0.00 0.00 173.24 173.69 1jbj s VAL 17 N 0.72 4.83 -0.27 3.43 1.01 0.30 0.26 120.40 130.67 1jbj s VAL 17 Ca -0.09 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1jbj s VAL 17 Cb -0.16 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.69 1jbj s VAL 17 CO 0.00 -0.14 0.09 -0.70 0.00 0.00 0.00 175.10 174.35 1jbj s GLU 18 N -2.95 0.53 0.15 2.72 2.12 0.92 0.14 118.70 122.32 1jbj s GLU 18 Ca 0.50 -0.74 -0.07 0.00 0.36 0.00 0.00 54.97 55.02 1jbj s GLU 18 Cb -0.11 -1.77 -0.06 0.00 0.26 0.00 0.00 34.13 32.45 1jbj s GLU 18 CO 0.20 -0.91 0.43 -0.51 -0.54 0.00 0.00 175.26 173.93 1jbj s LEU 19 N 1.83 4.26 -0.30 2.70 1.43 0.30 -0.65 118.68 128.24 1jbj s LEU 19 Ca 0.07 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1jbj s LEU 19 Cb -0.17 -3.33 0.08 0.00 0.03 0.00 0.00 46.19 42.81 1jbj s LEU 19 CO -0.24 0.05 -0.01 -0.89 0.23 0.00 0.00 176.35 175.48 1jbj s THR 20 N -1.64 2.15 0.35 5.49 2.01 0.30 0.19 115.64 124.50 1jbj s THR 20 Ca 0.41 -2.00 -0.26 0.00 0.31 0.00 0.00 61.69 60.15 1jbj s THR 20 Cb -0.12 -2.46 -0.09 0.00 0.01 0.00 0.00 72.50 69.84 1jbj s THR 20 CO 0.22 -0.37 1.04 0.00 -0.69 0.00 0.00 174.62 174.83 1jbj n PRO 22 N 0.42 0.98 -4.09 0.00 -0.04 -1.26 -4.74 135.00 126.28 1jbj n PRO 22 Ca 0.03 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.21 1jbj n PRO 22 Cb 0.48 -1.01 -0.17 0.00 -0.04 0.00 0.00 33.50 32.76 1jbj n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jbj s LEU 23 N 0.00 1.42 0.47 1.53 1.43 -1.26 -5.00 118.68 117.27 1jbj s LEU 23 Ca 0.00 -0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 1jbj s LEU 23 Cb 0.00 -0.94 -0.12 0.00 0.03 0.00 0.00 46.19 45.16 1jbj s LEU 23 CO 0.00 -0.07 0.45 0.47 0.23 0.00 0.00 176.35 177.44 1jbj n ASP 24 N 4.66 -1.28 -4.54 2.29 8.00 -1.26 -4.50 116.55 119.92 1jbj n ASP 24 Ca -0.16 0.84 -0.41 0.00 0.71 0.00 0.00 54.79 55.77 1jbj n ASP 24 Cb 0.50 -1.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jbj s SER 25 N -1.01 6.29 0.37 -2.24 1.04 -1.26 -4.77 113.70 112.12 1jbj s SER 25 Ca 0.64 -0.88 0.07 0.00 0.48 0.00 0.00 55.95 56.26 1jbj s SER 25 Cb -0.55 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.00 1jbj s SER 25 CO 0.58 -1.68 0.38 -1.81 0.98 0.00 0.00 173.24 171.70 1jbj s ASP 26 N 4.17 5.39 0.00 7.02 1.01 -1.26 -4.90 116.67 128.09 1jbj s ASP 26 Ca 0.38 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.14 1jbj s ASP 26 Cb -0.06 -0.86 0.00 0.00 1.01 0.00 0.00 42.92 43.01 1jbj s ASP 26 CO 0.05 -0.50 0.91 -1.84 0.21 0.00 0.00 175.17 174.00 1jbj n GLU 27 N -1.53 0.78 -0.24 8.23 0.28 -1.26 -2.06 120.64 124.84 1jbj n GLU 27 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1jbj n GLU 27 Cb 0.60 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.36 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1jbj n ASN 28 N 0.78 0.00 -4.72 -1.84 3.02 -1.26 -5.09 115.26 106.15 1jbj n ASN 28 Ca 0.00 -1.06 -0.40 0.00 -0.03 0.00 0.00 54.58 53.08 1jbj n ASN 28 Cb 0.39 -0.01 -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 4.38 0.43 3.41 2.96 -0.87 -4.40 118.68 124.59 1jbj s LEU 29 Ca 0.00 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.37 1jbj s LEU 29 Cb 0.00 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1jbj s LEU 29 CO 0.00 -0.11 0.04 -0.54 -1.32 0.00 0.00 176.35 174.42 1jbj s LYS 30 N 0.56 1.99 0.30 1.98 -0.14 -0.41 -2.40 119.74 121.61 1jbj s LYS 30 Ca 0.42 -2.20 0.05 0.00 -1.36 0.00 0.00 55.97 52.88 1jbj s LYS 30 Cb -0.20 -1.22 -0.03 0.00 -1.68 0.00 0.00 37.83 34.70 1jbj s LYS 30 CO 0.23 -0.29 0.24 -1.58 -0.76 0.00 0.00 175.35 173.19 1jbj s TRP 31 N -2.99 1.62 -0.18 3.18 0.52 -1.16 -1.72 118.94 118.21 1jbj s TRP 31 Ca 0.22 -1.59 -0.16 0.00 0.02 0.00 0.00 56.10 54.58 1jbj s TRP 31 Cb 0.05 -0.69 0.05 0.00 -1.15 0.00 0.00 33.47 31.73 1jbj s TRP 31 CO 0.11 -0.81 0.48 -2.00 0.02 0.00 0.00 176.95 174.76 1jbj s GLU 32 N -3.62 0.55 -0.22 4.98 2.12 -0.47 -1.80 118.70 120.24 1jbj s GLU 32 Ca 0.40 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.44 1jbj s GLU 32 Cb 0.03 0.24 0.05 0.00 0.26 0.00 0.00 34.13 34.72 1jbj s GLU 32 CO 0.24 -0.08 -0.08 0.21 -0.54 0.00 0.00 175.26 175.01 1jbj s LYS 33 N 0.41 1.89 1.02 4.30 2.36 0.98 -2.17 119.74 128.52 1jbj s LYS 33 Ca -0.01 -0.98 0.00 0.00 -2.55 0.00 0.00 55.97 52.43 1jbj s LYS 33 Cb -0.04 -2.56 0.00 0.00 -1.05 0.00 0.00 37.83 34.19 1jbj s LYS 33 CO -0.01 -0.52 0.00 0.09 1.55 0.00 0.00 175.35 176.46 1jbj n ASN 34 N 4.64 0.00 0.00 1.43 4.13 0.10 -0.81 115.26 124.75 1jbj n ASN 34 Ca -0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1jbj n ASN 34 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jbj n GLY 35 N 0.00 0.63 3.91 7.41 0.00 -1.26 -4.96 105.19 110.91 1jbj n GLY 35 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1jbj n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jbj s GLN 36 N -1.00 3.60 -0.09 1.61 -0.21 0.01 -5.10 119.66 118.48 1jbj s GLN 36 Ca 0.00 -0.13 0.04 0.00 0.02 0.00 0.00 55.36 55.28 1jbj s GLN 36 Cb 0.00 -2.79 -0.01 0.00 1.00 0.00 0.00 33.01 31.21 1jbj s GLN 36 CO 0.00 0.38 -0.21 -2.00 -2.12 0.00 0.00 175.29 171.34 1jbj s GLU 37 N -3.08 2.90 -0.45 2.91 2.12 -1.26 -0.02 118.70 121.83 1jbj s GLU 37 Ca 0.41 -0.82 -0.16 0.00 0.36 0.00 0.00 54.97 54.76 1jbj s GLU 37 Cb -0.11 -2.34 0.04 0.00 0.26 0.00 0.00 34.13 31.98 1jbj s GLU 37 CO 0.27 0.30 0.39 -0.51 -0.54 0.00 0.00 175.26 175.18 1jbj s LEU 38 N 0.06 5.25 -0.33 2.70 1.43 -0.75 -4.95 118.68 122.10 1jbj s LEU 38 Ca -0.09 -1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 51.98 1jbj s LEU 38 Cb -0.15 -2.24 0.29 0.00 0.03 0.00 0.00 46.19 44.11 1jbj s LEU 38 CO 0.06 -0.60 1.87 -0.81 0.23 0.00 0.00 176.35 177.10 1jbj n PRO 39 N 5.36 1.86 -1.47 1.29 -0.04 -1.26 -3.01 135.00 137.73 1jbj n PRO 39 Ca -0.10 -1.77 -0.03 0.00 -0.04 0.00 0.00 63.50 61.56 1jbj n PRO 39 Cb 0.46 -1.69 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 1jbj n PRO 39 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jbj n GLN 40 N -0.01 0.28 -3.55 0.54 3.00 -1.26 -5.01 117.38 111.38 1jbj n GLN 40 Ca 0.34 -1.49 -0.28 0.00 -0.01 0.00 0.00 57.00 55.57 1jbj n GLN 40 Cb 0.76 0.20 -0.09 0.00 0.00 0.00 0.00 30.24 31.11 1jbj n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jbj n LYS 41 N -0.08 2.40 -0.97 -1.09 4.76 -1.25 -4.92 118.16 117.02 1jbj n LYS 41 Ca -0.14 -4.62 -0.18 0.00 -2.87 0.00 0.00 58.31 50.49 1jbj n LYS 41 Cb 0.86 -2.28 0.02 0.00 -1.84 0.00 0.00 35.03 31.80 1jbj n LYS 41 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1jbj n HIS 42 N 1.19 1.54 -4.86 2.13 1.44 -1.01 -3.48 115.22 112.17 1jbj n HIS 42 Ca 0.27 -1.97 -0.28 0.00 -2.01 0.00 0.00 57.72 53.73 1jbj n HIS 42 Cb 0.39 -1.02 -0.15 0.00 0.12 0.00 0.00 29.99 29.33 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1jbj s ASP 43 N 0.21 2.68 0.26 4.39 2.15 -1.26 -4.28 116.67 120.81 1jbj s ASP 43 Ca 0.35 -0.50 -0.03 0.00 0.43 0.00 0.00 52.55 52.80 1jbj s ASP 43 Cb 0.26 -0.25 0.32 0.00 -0.30 0.00 0.00 42.92 42.95 1jbj s ASP 43 CO -0.03 0.22 1.79 0.50 -0.17 0.00 0.00 175.17 177.48 1jbj h LYS 44 N 5.09 0.90 -5.10 4.34 3.64 -1.86 -3.41 116.57 120.16 1jbj h LYS 44 Ca -0.43 -0.20 -0.64 0.00 -1.27 0.00 0.00 60.65 58.11 1jbj h LYS 44 Cb 1.15 -0.12 -0.21 0.00 -0.41 0.00 0.00 32.23 32.64 1jbj h LYS 44 CO 0.45 0.82 -0.62 -3.38 -2.27 0.00 0.00 179.45 174.45 1jbj s HIS 45 N -5.18 3.11 -0.18 1.91 -3.43 -1.26 -0.25 115.29 110.01 1jbj s HIS 45 Ca -0.10 -0.28 -0.09 0.00 -0.80 0.00 0.00 55.06 53.79 1jbj s HIS 45 Cb 0.15 -2.14 -0.05 0.00 -1.43 0.00 0.00 32.58 29.11 1jbj s HIS 45 CO 0.81 -0.17 0.13 -1.17 -2.00 0.00 0.00 174.74 172.35 1jbj s LEU 46 N 1.04 4.25 -0.09 5.38 2.96 0.13 -4.88 118.68 127.47 1jbj s LEU 46 Ca 0.03 0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1jbj s LEU 46 Cb -0.14 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1jbj s LEU 46 CO 0.03 0.23 0.02 -0.69 -1.32 0.00 0.00 176.35 174.62 1jbj s VAL 47 N 0.05 4.49 -0.47 1.68 1.01 -1.26 0.11 120.40 126.00 1jbj s VAL 47 Ca 0.10 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1jbj s VAL 47 Cb -0.11 -2.90 0.12 0.00 0.00 0.00 0.00 36.38 33.49 1jbj s VAL 47 CO -0.01 0.61 0.22 -0.76 0.00 0.00 0.00 175.10 175.16 1jbj s LEU 48 N -0.89 4.64 -0.08 3.92 1.43 0.38 -4.92 118.68 123.16 1jbj s LEU 48 Ca 0.13 -2.68 -0.30 0.00 -1.03 0.00 0.00 54.13 50.26 1jbj s LEU 48 Cb -0.11 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1jbj s LEU 48 CO 0.03 -0.32 1.07 -1.10 0.23 0.00 0.00 176.35 176.26 1jbj s GLN 49 N 0.19 4.41 -0.38 1.70 -0.21 -1.26 0.11 119.66 124.22 1jbj s GLN 49 Ca 0.15 1.49 -0.00 0.00 0.02 0.00 0.00 55.36 57.01 1jbj s GLN 49 Cb -0.23 -3.54 -0.00 0.00 1.00 0.00 0.00 33.01 30.24 1jbj s GLN 49 CO -0.03 -0.34 0.35 -3.47 -2.12 0.00 0.00 175.29 169.68 1jbj n ASP 50 N 4.97 -4.81 -4.71 5.90 -0.08 0.66 -4.95 116.55 113.53 1jbj n ASP 50 Ca 0.09 -0.06 -0.35 0.00 -1.51 0.00 0.00 54.79 52.97 1jbj n ASP 50 Cb 0.48 -3.10 0.10 0.00 2.34 0.00 0.00 41.12 40.94 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 -3.02 1.95 -0.46 -0.67 5.36 -1.17 -5.01 117.98 114.97 1jbj s PHE 51 Ca 0.02 1.60 0.03 0.00 -0.96 0.00 0.00 56.93 57.62 1jbj s PHE 51 Cb -0.00 -3.54 0.13 0.00 -0.34 0.00 0.00 43.02 39.26 1jbj s PHE 51 CO 0.37 -2.80 0.22 -1.12 -1.46 0.00 0.00 175.22 170.43 1jbj s SER 52 N -1.90 4.11 0.38 6.13 0.01 -1.26 -4.75 113.70 116.42 1jbj s SER 52 Ca 0.76 -2.70 0.15 0.00 1.31 0.00 0.00 55.95 55.47 1jbj s SER 52 Cb -0.31 -1.38 0.76 0.00 0.21 0.00 0.00 66.02 65.30 1jbj s SER 52 CO 0.46 -0.27 1.82 -0.08 0.41 0.00 0.00 173.24 175.58 1jbj h GLU 53 N 6.80 0.00 -0.95 12.44 4.22 -1.71 -2.90 114.58 132.48 1jbj h GLU 53 Ca -0.05 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.50 1jbj h GLU 53 Cb 0.93 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 1jbj h GLU 53 CO 0.58 0.37 0.60 0.28 -2.18 0.00 0.00 179.01 178.66 1jbj h VAL 54 N 0.00 0.92 -0.84 0.32 2.07 -1.90 -0.59 116.25 116.23 1jbj h VAL 54 Ca -0.00 -0.31 0.15 0.00 0.82 0.00 0.00 66.70 67.35 1jbj h VAL 54 Cb 0.69 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1jbj h VAL 54 CO 0.05 0.17 0.55 -0.33 0.02 0.00 0.00 177.57 178.02 1jbj h GLU 55 N 0.91 0.57 -6.10 1.57 4.39 -1.90 -3.45 114.58 110.56 1jbj h GLU 55 Ca 0.46 -0.03 -0.44 0.00 0.34 0.00 0.00 59.36 59.68 1jbj h GLU 55 Cb 0.50 -0.13 0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1jbj h GLU 55 CO -0.22 0.38 -0.73 -3.47 -1.16 0.00 0.00 179.01 173.81 1jbj n ASP 56 N -4.53 -5.33 -2.75 1.42 -0.08 -0.23 -4.92 116.55 100.14 1jbj n ASP 56 Ca 0.16 -0.68 -0.02 0.00 -1.51 0.00 0.00 54.79 52.74 1jbj n ASP 56 Cb 0.49 -4.38 0.02 0.00 2.34 0.00 0.00 41.12 39.59 1jbj n ASP 56 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1jbj s SER 57 N -3.36 -0.66 -0.89 1.67 0.15 -1.26 -5.02 113.70 104.33 1jbj s SER 57 Ca 0.61 -0.68 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 1jbj s SER 57 Cb -0.29 0.86 0.28 0.00 -1.71 0.00 0.00 66.02 65.16 1jbj s SER 57 CO 0.79 -0.04 2.10 0.61 1.20 0.00 0.00 173.24 177.90 1jbj n GLY 58 N 2.98 5.53 3.63 9.45 0.00 -0.54 -4.77 105.19 121.47 1jbj n GLY 58 Ca 0.12 -2.40 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 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 -3.61 2.34 0.11 1.61 2.02 -1.26 -0.43 117.35 118.14 1jbj s TYR 59 Ca 0.49 0.67 0.06 0.00 -0.37 0.00 0.00 57.07 57.93 1jbj s TYR 59 Cb 0.34 -3.94 -0.04 0.00 -0.40 0.00 0.00 41.96 37.92 1jbj s TYR 59 CO -0.28 -2.46 -0.16 0.71 -1.57 0.00 0.00 175.55 171.79 1jbj s TYR 60 N 4.82 1.49 0.21 2.71 2.02 -0.93 0.03 117.35 127.69 1jbj s TYR 60 Ca 0.65 -0.49 -0.13 0.00 -0.37 0.00 0.00 57.07 56.73 1jbj s TYR 60 Cb -0.22 -0.79 0.00 0.00 -0.40 0.00 0.00 41.96 40.55 1jbj s TYR 60 CO 0.26 0.16 0.43 0.54 -1.57 0.00 0.00 175.55 175.37 1jbj s VAL 61 N -1.72 0.03 0.05 0.71 0.11 -0.92 -2.07 120.40 116.59 1jbj s VAL 61 Ca 0.07 -1.22 -0.03 0.00 -2.93 0.00 0.00 61.98 57.87 1jbj s VAL 61 Cb -0.07 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.85 1jbj s VAL 61 CO 0.04 -0.13 0.04 0.00 -3.33 0.00 0.00 175.10 171.71 1jbj s TYR 63 N -3.19 -0.10 0.20 0.00 2.02 -0.70 -4.56 117.35 111.02 1jbj s TYR 63 Ca 0.00 0.23 0.06 0.00 -0.37 0.00 0.00 57.07 57.00 1jbj s TYR 63 Cb 0.02 0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.56 1jbj s TYR 63 CO -0.07 -0.11 -0.11 0.95 -1.57 0.00 0.00 175.55 174.63 1jbj s THR 64 N -0.25 1.52 0.21 -0.71 -4.23 -0.45 -1.29 115.64 110.44 1jbj s THR 64 Ca -0.03 -2.15 -0.10 0.00 -1.18 0.00 0.00 61.69 58.23 1jbj s THR 64 Cb -0.03 -2.08 0.15 0.00 1.34 0.00 0.00 72.50 71.88 1jbj s THR 64 CO 0.00 -0.57 1.84 1.55 -0.54 0.00 0.00 174.62 176.91 1jbj h PRO 65 N 2.56 0.83 0.00 3.99 0.13 -1.98 -1.58 132.00 135.96 1jbj h PRO 65 Ca -0.38 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1jbj h PRO 65 Cb 1.22 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1jbj h PRO 65 CO 0.63 0.55 0.00 0.00 -0.23 0.00 0.00 178.00 178.95 1jbj h ALA 66 N 1.31 1.00 -3.32 -0.56 0.00 -1.97 -3.40 119.26 112.32 1jbj h ALA 66 Ca 0.29 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.60 1jbj h ALA 66 Cb 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 1jbj h ALA 66 CO -0.12 0.00 -0.75 0.45 0.00 0.00 0.00 179.25 178.83 1jbj s SER 67 N -5.73 4.09 -0.12 0.00 0.15 -0.60 -4.99 113.70 106.50 1jbj s SER 67 Ca 0.06 -1.64 -0.28 0.00 0.70 0.00 0.00 55.95 54.79 1jbj s SER 67 Cb 0.07 -1.03 -0.26 0.00 -1.71 0.00 0.00 66.02 63.09 1jbj s SER 67 CO 0.62 -0.38 0.81 -1.13 1.20 0.00 0.00 173.24 174.35 1jbj h ASN 68 N 7.99 0.06 -3.33 5.45 -0.73 -1.79 -1.18 115.58 122.06 1jbj h ASN 68 Ca -0.12 -0.97 -0.59 0.00 1.87 0.00 0.00 56.30 56.48 1jbj h ASN 68 Cb 1.03 -0.02 -0.09 0.00 0.27 0.00 0.00 38.32 39.51 1jbj h ASN 68 CO 0.47 1.03 0.37 -1.59 -0.37 0.00 0.00 177.43 177.34 1jbj s LYS 69 N -2.33 4.21 0.23 6.67 -2.85 -1.26 -4.80 119.74 119.61 1jbj s LYS 69 Ca -0.18 0.88 0.10 0.00 -1.00 0.00 0.00 55.97 55.77 1jbj s LYS 69 Cb -0.02 -3.62 -0.05 0.00 -2.06 0.00 0.00 37.83 32.08 1jbj s LYS 69 CO 0.71 -0.42 -0.19 1.21 0.10 0.00 0.00 175.35 176.76 1jbj s ASN 70 N 1.29 3.18 0.18 0.03 3.04 -1.26 -5.05 114.94 116.35 1jbj s ASN 70 Ca 0.34 -0.97 -0.22 0.00 0.04 0.00 0.00 52.86 52.05 1jbj s ASN 70 Cb -0.16 -0.23 -0.08 0.00 -1.54 0.00 0.00 41.25 39.24 1jbj s ASN 70 CO 0.09 -0.01 0.73 -0.89 -3.04 0.00 0.00 177.10 173.99 1jbj s THR 71 N -2.39 4.50 0.03 -5.21 2.01 -1.26 -5.01 115.64 108.31 1jbj s THR 71 Ca 0.24 1.47 -0.21 0.00 0.31 0.00 0.00 61.69 63.50 1jbj s THR 71 Cb -0.05 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 1jbj s THR 71 CO 0.11 0.39 0.63 -0.31 -0.69 0.00 0.00 174.62 174.74 1jbj s TYR 72 N -1.31 3.74 0.18 4.92 2.02 -1.26 -4.68 117.35 120.96 1jbj s TYR 72 Ca 0.38 1.29 0.09 0.00 -0.37 0.00 0.00 57.07 58.46 1jbj s TYR 72 Cb -0.20 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 1jbj s TYR 72 CO 0.23 0.41 -0.08 -0.48 -1.57 0.00 0.00 175.55 174.06 1jbj s LEU 73 N -0.47 3.03 -0.24 -1.29 0.05 -0.88 -3.57 118.68 115.30 1jbj s LEU 73 Ca 0.32 -0.55 -0.02 0.00 0.05 0.00 0.00 54.13 53.93 1jbj s LEU 73 Cb -0.19 -1.70 0.02 0.00 -2.05 0.00 0.00 46.19 42.27 1jbj s LEU 73 CO 0.19 0.10 -0.06 -0.47 -0.55 0.00 0.00 176.35 175.56 1jbj s TYR 74 N -1.73 3.05 -0.27 3.48 6.14 0.37 -2.20 117.35 126.19 1jbj s TYR 74 Ca 0.25 -1.50 -0.09 0.00 0.64 0.00 0.00 57.07 56.38 1jbj s TYR 74 Cb -0.09 -2.06 -0.03 0.00 0.42 0.00 0.00 41.96 40.20 1jbj s TYR 74 CO 0.16 -0.71 0.12 -1.17 0.64 0.00 0.00 175.55 174.58 1jbj s LEU 75 N 1.34 3.74 -0.23 6.97 0.20 0.43 -1.43 118.68 129.69 1jbj s LEU 75 Ca 0.01 -0.23 -0.02 0.00 0.69 0.00 0.00 54.13 54.58 1jbj s LEU 75 Cb -0.16 -1.99 0.07 0.00 -0.43 0.00 0.00 46.19 43.68 1jbj s LEU 75 CO -0.05 -0.08 0.04 -0.75 -0.29 0.00 0.00 176.35 175.23 1jbj s LYS 76 N 1.65 0.84 0.31 1.98 2.47 -0.62 -1.47 119.74 124.90 1jbj s LYS 76 Ca 0.06 -0.70 -0.15 0.00 -1.56 0.00 0.00 55.97 53.62 1jbj s LYS 76 Cb -0.16 -2.16 0.02 0.00 -1.46 0.00 0.00 37.83 34.07 1jbj s LYS 76 CO 0.06 -0.73 0.65 0.00 0.16 0.00 0.00 175.35 175.50 1jbj s ALA 77 N 1.71 -0.59 0.00 3.13 0.00 -1.26 -3.52 121.76 121.23 1jbj s ALA 77 Ca 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1jbj s ALA 77 Cb -0.17 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1jbj s ALA 77 CO -0.12 -0.95 -0.07 0.50 0.00 0.00 0.00 175.76 175.12 1jbj s ARG 78 N -3.36 0.56 0.05 0.00 3.52 -1.26 -4.10 118.95 114.35 1jbj s ARG 78 Ca 0.17 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.47 1jbj s ARG 78 Cb -0.04 -0.51 -0.03 0.00 -1.56 0.00 0.00 34.95 32.81 1jbj s ARG 78 CO 0.10 0.14 -0.07 0.14 -0.81 0.00 0.00 175.30 174.80 1jbj s VAL 79 N -0.33 0.50 0.00 7.11 -7.23 -1.26 -5.01 120.40 114.18 1jbj s VAL 79 Ca 0.01 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1jbj s VAL 79 Cb -0.04 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.22 1jbj s VAL 79 CO -0.00 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1jbj n GLY 80 N 1.31 0.77 2.47 2.32 0.00 -1.26 -1.68 105.19 109.13 1jbj n GLY 80 Ca -0.22 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1jbj n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 81 N -1.85 7.57 -2.38 1.61 7.64 -1.26 -4.61 113.62 120.33 1jbj n SER 81 Ca 0.00 -2.85 -0.31 0.00 1.01 0.00 0.00 58.87 56.72 1jbj n SER 81 Cb 0.00 -1.50 0.04 0.00 -1.01 0.00 0.00 64.21 61.74 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 3.31 5.71 -2.79 -0.43 0.00 -0.68 -4.47 120.51 121.16 1jbj n ALA 82 Ca 0.66 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 50.23 1jbj n ALA 82 Cb 0.27 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.65 1jbj n ALA 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jbj n ASP 83 N -0.69 1.43 -4.01 0.00 5.75 -1.26 -3.99 116.55 113.79 1jbj n ASP 83 Ca 0.50 -2.02 -0.19 0.00 -0.01 0.00 0.00 54.79 53.07 1jbj n ASP 83 Cb 0.67 -0.43 -0.09 0.00 -1.03 0.00 0.00 41.12 40.24 1jbj n ASP 83 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1jbj s ASP 84 N -3.52 1.67 -0.29 -1.12 1.11 -1.26 -5.09 116.67 108.18 1jbj s ASP 84 Ca 0.28 -1.56 0.03 0.00 0.18 0.00 0.00 52.55 51.48 1jbj s ASP 84 Cb 0.33 0.38 0.13 0.00 1.07 0.00 0.00 42.92 44.83 1jbj s ASP 84 CO -0.06 -0.88 1.06 0.00 1.18 0.00 0.00 175.17 176.47 1jbj n ALA 85 N -0.61 -1.28 -2.50 5.23 0.00 -1.26 -4.99 120.51 115.09 1jbj n ALA 85 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 1jbj n ALA 85 Cb 0.65 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1jbj n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 86 N -0.53 -4.94 -0.54 0.00 5.02 -1.26 -4.89 118.16 111.01 1jbj n LYS 86 Ca -0.19 3.65 -0.30 0.00 -2.02 0.00 0.00 58.31 59.45 1jbj n LYS 86 Cb 0.68 -4.99 0.27 0.00 -0.02 0.00 0.00 35.03 30.97 1jbj n LYS 86 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1jbj s LYS 87 N -0.64 -2.35 -1.77 1.97 -2.85 -1.26 -3.83 119.74 109.01 1jbj s LYS 87 Ca -0.17 0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 1jbj s LYS 87 Cb 0.01 -1.44 0.00 0.00 -2.06 0.00 0.00 37.83 34.34 1jbj s LYS 87 CO 0.46 -4.51 0.00 -0.25 0.10 0.00 0.00 175.35 171.16 1jbj n ASP 88 N -5.37 -5.47 -0.55 0.03 9.92 -1.26 -4.75 116.55 109.10 1jbj n ASP 88 Ca 0.11 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1jbj n ASP 88 Cb 0.59 -4.56 0.00 0.00 -0.64 0.00 0.00 41.12 36.51 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbj n ALA 89 N -0.93 0.00 -2.65 2.24 0.00 -1.25 -4.58 120.51 113.34 1jbj n ALA 89 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 1jbj n ALA 89 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 1jbj n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbj s ALA 90 N -1.69 3.56 0.20 0.00 0.00 -1.26 -4.74 121.76 117.82 1jbj s ALA 90 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1jbj s ALA 90 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1jbj s ALA 90 CO 0.00 -0.47 0.00 1.63 0.00 0.00 0.00 175.76 176.92 1jbj n LYS 91 N 4.87 0.00 -3.25 0.00 5.02 -1.26 -5.12 118.16 118.42 1jbj n LYS 91 Ca -0.06 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.84 1jbj n LYS 91 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.45 1jbj n LYS 91 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jbj s LYS 92 N -1.72 4.23 -0.39 1.97 3.01 -1.26 -4.57 119.74 121.02 1jbj s LYS 92 Ca 0.00 0.45 -0.10 0.00 -1.01 0.00 0.00 55.97 55.30 1jbj s LYS 92 Cb 0.00 -3.53 0.01 0.00 -1.01 0.00 0.00 37.83 33.30 1jbj s LYS 92 CO 0.00 -0.09 0.39 -3.47 0.51 0.00 0.00 175.35 172.69 1jbj n ASP 93 N 4.55 -7.98 -4.63 2.83 2.03 -1.26 -5.03 116.55 107.06 1jbj n ASP 93 Ca -0.05 0.86 -0.30 0.00 0.52 0.00 0.00 54.79 55.81 1jbj n ASP 93 Cb 0.51 -5.35 -0.09 0.00 -0.72 0.00 0.00 41.12 35.46 1jbj n ASP 93 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1jbj s ASP 94 N -2.25 4.72 -0.76 1.67 1.11 -1.26 -5.07 116.67 114.83 1jbj s ASP 94 Ca 0.16 -0.25 0.03 0.00 0.18 0.00 0.00 52.55 52.67 1jbj s ASP 94 Cb -0.04 -1.04 0.26 0.00 1.07 0.00 0.00 42.92 43.17 1jbj s ASP 94 CO 0.77 0.19 0.92 0.00 1.18 0.00 0.00 175.17 178.24 1jbj n ALA 95 N 0.76 4.32 -1.96 5.23 0.00 -1.26 -5.07 120.51 122.53 1jbj n ALA 95 Ca -0.12 -4.77 -0.24 0.00 0.00 0.00 0.00 53.44 48.31 1jbj n ALA 95 Cb 0.52 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.75 1jbj n ALA 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jbj s LYS 96 N -2.49 2.20 0.01 0.00 2.47 -1.26 -4.97 119.74 115.70 1jbj s LYS 96 Ca 0.37 -0.59 0.00 0.00 -1.56 0.00 0.00 55.97 54.19 1jbj s LYS 96 Cb 0.11 -2.31 0.00 0.00 -1.46 0.00 0.00 37.83 34.18 1jbj s LYS 96 CO 0.01 -1.11 0.00 1.17 0.16 0.00 0.00 175.35 175.58 1jbj n LYS 97 N -2.71 0.00 -3.15 4.03 4.81 -1.26 -5.13 118.16 114.74 1jbj n LYS 97 Ca 0.09 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.15 1jbj n LYS 97 Cb 0.60 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.59 1jbj n LYS 97 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1jbj s ASP 98 N -2.00 7.18 0.00 3.14 1.01 -1.26 -5.00 116.67 119.74 1jbj s ASP 98 Ca 0.00 1.42 -0.04 0.00 0.71 0.00 0.00 52.55 54.64 1jbj s ASP 98 Cb 0.00 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 1jbj s ASP 98 CO 0.00 0.22 -0.07 0.47 0.21 0.00 0.00 175.17 175.99 1jbj n ASP 99 N 1.52 0.85 -1.27 0.27 8.00 -1.26 -5.14 116.55 119.53 1jbj n ASP 99 Ca -0.08 0.12 0.17 0.00 0.71 0.00 0.00 54.79 55.72 1jbj n ASP 99 Cb 0.50 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj n ALA 100 N -3.30 -3.29 -2.87 2.24 0.00 -1.26 -4.98 120.51 107.04 1jbj n ALA 100 Ca -0.03 0.54 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 1jbj n ALA 100 Cb 0.11 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.35 1jbj n ALA 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 101 N -4.01 -2.09 -0.01 0.00 5.02 -1.26 -4.98 118.16 110.83 1jbj n LYS 101 Ca -0.02 1.95 -0.21 0.00 -2.02 0.00 0.00 58.31 58.01 1jbj n LYS 101 Cb 0.59 -5.63 -0.13 0.00 -0.02 0.00 0.00 35.03 29.83 1jbj n LYS 101 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1jbj h LYS 102 N 1.60 0.20 -0.20 1.97 3.64 -1.94 -3.38 116.57 118.46 1jbj h LYS 102 Ca 0.00 -0.34 -0.12 0.00 -1.27 0.00 0.00 60.65 58.92 1jbj h LYS 102 Cb 0.99 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 1jbj h LYS 102 CO 0.22 1.16 -0.38 -0.40 -2.27 0.00 0.00 179.45 177.78 1jbj n ASP 103 N -4.01 2.33 -1.84 4.20 5.68 -1.26 -4.93 116.55 116.72 1jbj n ASP 103 Ca -0.25 -3.86 -0.18 0.00 -0.50 0.00 0.00 54.79 50.00 1jbj n ASP 103 Cb 0.85 -0.55 -0.02 0.00 -1.14 0.00 0.00 41.12 40.25 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jbj n GLY 104 N -1.08 0.16 3.75 6.12 0.00 -1.26 -4.96 105.19 107.91 1jbj n GLY 104 Ca 0.27 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.36 7.53 -0.19 1.61 0.01 -1.26 -4.97 113.70 114.07 1jbj s SER 105 Ca 0.00 2.05 -0.29 0.00 1.31 0.00 0.00 55.95 59.02 1jbj s SER 105 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1jbj s SER 105 CO 0.00 0.06 1.78 -1.10 0.41 0.00 0.00 173.24 174.39 1jbj s GLN 106 N -1.26 3.70 -0.33 12.44 1.11 -1.26 -4.75 119.66 129.31 1jbj s GLN 106 Ca 0.42 1.84 0.03 0.00 0.01 0.00 0.00 55.36 57.67 1jbj s GLN 106 Cb -0.28 -4.12 0.32 0.00 -1.01 0.00 0.00 33.01 27.92 1jbj s GLN 106 CO 0.35 -1.42 1.37 -2.37 0.01 0.00 0.00 175.29 173.22 1jbj n THR 107 N 6.58 0.00 -0.09 -0.19 5.66 -1.26 -5.02 114.28 119.97 1jbj n THR 107 Ca 0.21 -0.68 -0.11 0.00 -3.05 0.00 0.00 64.05 60.42 1jbj n THR 107 Cb 0.45 1.09 -0.09 0.00 -1.55 0.00 0.00 70.33 70.23 1jbj n THR 107 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jbj n ASN 108 N 0.67 2.31 0.00 1.09 5.15 -1.26 -4.84 115.26 118.38 1jbj n ASN 108 Ca -0.04 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 1jbj n ASN 108 Cb 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.00 1jbj n ASN 108 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1jbj n LYS 109 N -2.90 0.00 -0.37 1.20 4.76 -1.26 -5.15 118.16 114.44 1jbj n LYS 109 Ca -0.30 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.19 1jbj n LYS 109 Cb 0.87 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 34.05 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jbj n ALA 110 N -1.15 -1.17 -0.93 7.82 0.00 -1.26 -4.94 120.51 118.88 1jbj n ALA 110 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1jbj n ALA 110 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1jbj n ALA 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 111 N -2.02 0.00 -2.46 0.00 5.02 -1.26 -5.01 118.16 112.43 1jbj n LYS 111 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1jbj n LYS 111 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 1jbj n LYS 111 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jbj n ASN 112 N -2.73 -6.65 0.14 4.39 5.03 -1.26 -4.89 115.26 109.29 1jbj n ASN 112 Ca 0.00 0.94 0.04 0.00 0.87 0.00 0.00 54.58 56.43 1jbj n ASN 112 Cb 0.00 -4.37 0.45 0.00 -1.02 0.00 0.00 39.78 34.85 1jbj n ASN 112 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1jbj h LEU 113 N 2.16 0.19 -8.31 3.41 3.38 -2.00 -3.42 115.31 110.71 1jbj h LEU 113 Ca 0.00 -0.03 -0.50 0.00 0.09 0.00 0.00 57.88 57.45 1jbj h LEU 113 Cb 0.19 -0.05 -0.27 0.00 0.09 0.00 0.00 40.66 40.62 1jbj h LEU 113 CO 0.10 0.28 -0.81 0.54 0.09 0.00 0.00 178.44 178.64 1jbj s VAL 114 N -4.87 1.24 0.04 1.22 0.11 -1.26 -4.40 120.40 112.47 1jbj s VAL 114 Ca -0.06 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.16 1jbj s VAL 114 Cb 0.16 -1.07 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1jbj s VAL 114 CO 0.72 0.22 -0.03 -1.58 -3.33 0.00 0.00 175.10 171.10 1jbj s GLN 115 N -0.71 0.50 0.00 1.54 0.74 -1.14 -5.05 119.66 115.55 1jbj s GLN 115 Ca 0.05 -1.00 0.02 0.00 0.05 0.00 0.00 55.36 54.48 1jbj s GLN 115 Cb -0.07 0.17 -0.01 0.00 1.10 0.00 0.00 33.01 34.21 1jbj s GLN 115 CO 0.00 -0.09 -0.06 0.14 -0.55 0.00 0.00 175.29 174.73 1jbj s VAL 116 N -3.03 0.48 0.40 1.34 -7.23 -1.26 0.78 120.40 111.88 1jbj s VAL 116 Ca -0.01 -0.37 -0.06 0.00 -1.81 0.00 0.00 61.98 59.72 1jbj s VAL 116 Cb 0.02 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 1jbj s VAL 116 CO -0.07 0.06 0.71 -0.62 -0.31 0.00 0.00 175.10 174.87 1jbj s ASP 117 N -0.35 6.39 0.00 4.85 -1.08 0.32 -4.86 116.67 121.95 1jbj s ASP 117 Ca 0.01 0.91 0.00 0.00 -0.52 0.00 0.00 52.55 52.95 1jbj s ASP 117 Cb -0.03 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1jbj s ASP 117 CO -0.00 -0.41 0.00 0.61 0.52 0.00 0.00 175.17 175.89 1jbj n GLY 118 N -1.60 -0.02 3.17 2.66 0.00 -1.26 -2.06 105.19 106.08 1jbj n GLY 118 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 119 N -3.28 6.15 -0.14 1.61 0.01 -1.26 -3.80 113.70 113.00 1jbj s SER 119 Ca 0.00 -3.39 0.17 0.00 1.31 0.00 0.00 55.95 54.04 1jbj s SER 119 Cb 0.00 -1.99 0.68 0.00 0.21 0.00 0.00 66.02 64.93 1jbj s SER 119 CO 0.00 -0.29 1.60 0.54 0.41 0.00 0.00 173.24 175.50 1jbj n ARG 120 N 2.85 3.79 0.00 12.44 5.12 -1.26 -4.94 116.66 134.66 1jbj n ARG 120 Ca 0.18 -2.88 0.00 0.00 -1.93 0.00 0.00 57.85 53.22 1jbj n ARG 120 Cb 0.39 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 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 0.76 3.04 0.08 -0.13 0.00 -1.26 -4.70 105.19 102.98 1jbj n GLY 121 Ca 0.25 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.46 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 1.34 0.49 0.00 1.61 9.92 -1.26 -4.98 116.55 123.66 1jbj n ASP 122 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1jbj n ASP 122 Cb 0.00 0.85 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 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 1.37 1.81 3.77 0.44 0.00 -1.26 -5.08 105.19 106.24 1jbj n GLY 123 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1jbj n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jbj s SER 124 N -2.00 6.58 -0.10 1.61 1.04 -1.25 -3.33 113.70 116.25 1jbj s SER 124 Ca 0.00 0.68 -0.22 0.00 0.48 0.00 0.00 55.95 56.89 1jbj s SER 124 Cb 0.00 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 1jbj s SER 124 CO 0.00 0.18 0.66 -0.69 0.98 0.00 0.00 173.24 174.37 1jbj s VAL 125 N -0.11 5.06 -0.31 5.02 1.01 0.66 -4.12 120.40 127.60 1jbj s VAL 125 Ca 0.20 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.54 1jbj s VAL 125 Cb -0.14 -3.99 0.09 0.00 0.00 0.00 0.00 36.38 32.34 1jbj s VAL 125 CO 0.08 0.23 0.02 -0.76 0.00 0.00 0.00 175.10 174.66 1jbj s LEU 126 N 1.01 4.04 -0.31 3.92 1.02 -0.88 -2.21 118.68 125.28 1jbj s LEU 126 Ca 0.34 -1.87 -0.29 0.00 0.02 0.00 0.00 54.13 52.33 1jbj s LEU 126 Cb -0.17 -1.49 0.01 0.00 0.02 0.00 0.00 46.19 44.56 1jbj s LEU 126 CO 0.15 -0.34 1.18 -0.22 0.02 0.00 0.00 176.35 177.14 1jbj s LEU 127 N 1.06 3.92 -0.12 1.79 0.20 -0.17 0.12 118.68 125.48 1jbj s LEU 127 Ca 0.06 1.14 -0.06 0.00 0.69 0.00 0.00 54.13 55.95 1jbj s LEU 127 Cb -0.19 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 41.99 1jbj s LEU 127 CO -0.09 -0.96 0.12 0.42 -0.29 0.00 0.00 176.35 175.55 1jbj s THR 128 N 3.95 5.36 0.00 3.68 -4.23 0.23 0.21 115.64 124.85 1jbj s THR 128 Ca 0.50 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1jbj s THR 128 Cb -0.14 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1jbj s THR 128 CO 0.19 0.61 0.00 0.00 -0.54 0.00 0.00 174.62 174.88 1jbj n GLY 130 N 0.00 2.46 4.08 0.00 0.00 -1.26 -4.26 105.19 106.21 1jbj n GLY 130 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.61 -1.73 0.99 -0.00 -1.26 0.08 117.00 114.46 1jbj n LEU 131 Ca 0.00 -1.27 -0.16 0.00 -0.00 0.00 0.00 56.01 54.58 1jbj n LEU 131 Cb 0.00 -1.69 -0.02 0.00 -0.00 0.00 0.00 43.42 41.70 1jbj n LEU 131 CO 0.00 0.73 -0.20 0.35 -0.00 0.00 0.00 177.39 178.27 1jbj n THR 132 N -4.91 -0.60 -3.11 1.47 -2.24 -1.26 -4.99 114.28 98.65 1jbj n THR 132 Ca -0.15 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.26 1jbj n THR 132 Cb 0.59 -2.27 -0.06 0.00 -2.10 0.00 0.00 70.33 66.49 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 -2.39 7.10 0.13 3.42 1.01 0.11 -4.94 116.67 121.11 1jbj s ASP 133 Ca 0.00 1.42 0.21 0.00 0.71 0.00 0.00 52.55 54.89 1jbj s ASP 133 Cb 0.00 -2.42 0.84 0.00 1.01 0.00 0.00 42.92 42.35 1jbj s ASP 133 CO 0.00 0.09 1.64 0.29 0.21 0.00 0.00 175.17 177.40 1jbj n LYS 134 N 0.98 0.11 -4.28 8.23 4.01 -1.26 -4.60 118.16 121.34 1jbj n LYS 134 Ca -0.04 0.30 -0.20 0.00 -0.51 0.00 0.00 58.31 57.86 1jbj n LYS 134 Cb 0.51 -1.69 -0.16 0.00 -0.51 0.00 0.00 35.03 33.18 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1jbj s THR 135 N -3.14 0.67 -0.02 -0.18 2.01 -1.26 -5.03 115.64 108.68 1jbj s THR 135 Ca 0.07 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 1jbj s THR 135 Cb 0.10 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1jbj s THR 135 CO 0.37 0.24 0.10 -0.63 -0.69 0.00 0.00 174.62 174.01 1jbj s ILE 136 N 0.67 0.03 -0.21 1.82 1.01 -1.26 -2.16 121.20 121.10 1jbj s ILE 136 Ca -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1jbj s ILE 136 Cb -0.13 -0.23 0.10 0.00 0.01 0.00 0.00 42.46 42.21 1jbj s ILE 136 CO 0.01 -0.15 0.26 -0.54 0.00 0.00 0.00 174.94 174.52 1jbj s LYS 137 N -0.45 0.23 0.13 2.79 -0.14 -0.56 -4.94 119.74 116.79 1jbj s LYS 137 Ca -0.05 0.27 -0.15 0.00 -1.36 0.00 0.00 55.97 54.68 1jbj s LYS 137 Cb -0.03 -1.04 -0.07 0.00 -1.68 0.00 0.00 37.83 35.01 1jbj s LYS 137 CO 0.00 -0.66 0.54 -0.46 -0.76 0.00 0.00 175.35 174.02 1jbj s TRP 138 N 2.38 3.64 0.01 3.18 -0.11 -1.26 -0.47 118.94 126.31 1jbj s TRP 138 Ca 0.08 1.08 0.03 0.00 1.22 0.00 0.00 56.10 58.51 1jbj s TRP 138 Cb -0.16 -2.38 -0.01 0.00 -1.50 0.00 0.00 33.47 29.42 1jbj s TRP 138 CO -0.13 0.46 -0.10 -0.51 -4.62 0.00 0.00 176.95 172.05 1jbj s LEU 139 N -1.80 2.09 -0.18 5.86 1.02 0.31 -2.60 118.68 123.37 1jbj s LEU 139 Ca 0.36 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.23 1jbj s LEU 139 Cb -0.16 -0.44 0.02 0.00 0.02 0.00 0.00 46.19 45.63 1jbj s LEU 139 CO 0.19 0.04 -0.18 -1.59 0.02 0.00 0.00 176.35 174.84 1jbj s LYS 140 N -0.61 3.05 -1.23 1.70 -2.85 0.36 -0.46 119.74 119.69 1jbj s LYS 140 Ca 0.01 -0.80 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 1jbj s LYS 140 Cb -0.05 -2.63 0.02 0.00 -2.06 0.00 0.00 37.83 33.11 1jbj s LYS 140 CO 0.00 -0.20 0.21 -0.25 0.10 0.00 0.00 175.35 175.22 1jbj n ASP 141 N 4.62 -4.28 0.00 0.03 9.92 -1.26 0.09 116.55 125.67 1jbj n ASP 141 Ca -0.21 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.01 1jbj n ASP 141 Cb 0.50 -3.58 0.00 0.00 -0.64 0.00 0.00 41.12 37.40 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 142 N -1.01 0.56 3.16 0.44 0.00 -1.26 -5.05 105.19 102.02 1jbj n GLY 142 Ca -0.11 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.54 2.50 0.04 1.61 0.15 0.11 -5.11 113.70 110.47 1jbj s SER 143 Ca 0.00 -0.43 -0.31 0.00 0.70 0.00 0.00 55.95 55.92 1jbj s SER 143 Cb 0.00 -0.93 -0.06 0.00 -1.71 0.00 0.00 66.02 63.31 1jbj s SER 143 CO 0.00 0.14 1.42 -0.63 1.20 0.00 0.00 173.24 175.37 1jbj s ILE 144 N 0.23 3.53 -0.23 6.45 1.09 -1.26 0.13 121.20 131.15 1jbj s ILE 144 Ca -0.11 0.99 -0.04 0.00 -1.10 0.00 0.00 60.65 60.40 1jbj s ILE 144 Cb -0.15 -3.64 0.08 0.00 -1.06 0.00 0.00 42.46 37.69 1jbj s ILE 144 CO 0.05 0.02 0.10 -0.51 -0.10 0.00 0.00 174.94 174.50 1jbj s ILE 145 N 2.00 0.07 0.22 2.92 2.07 -1.07 -4.89 121.20 122.51 1jbj s ILE 145 Ca 0.65 -0.54 0.10 0.00 -1.41 0.00 0.00 60.65 59.46 1jbj s ILE 145 Cb -0.34 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.34 1jbj s ILE 145 CO 0.28 -0.47 -0.14 -0.44 -1.91 0.00 0.00 174.94 172.26 1jbj s SER 146 N 2.05 3.96 0.90 4.50 0.01 -1.26 -4.57 113.70 119.29 1jbj s SER 146 Ca 0.05 -0.75 -0.14 0.00 1.31 0.00 0.00 55.95 56.42 1jbj s SER 146 Cb -0.16 -0.54 0.14 0.00 0.21 0.00 0.00 66.02 65.67 1jbj s SER 146 CO -0.21 0.08 1.20 -2.16 0.41 0.00 0.00 173.24 172.56 1jbj s PRO 147 N -3.05 1.24 -0.32 12.44 0.04 -1.26 -5.06 135.00 139.02 1jbj s PRO 147 Ca 0.26 0.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.29 1jbj s PRO 147 Cb -0.07 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.65 1jbj s PRO 147 CO 0.14 -2.07 0.05 -1.17 0.04 0.00 0.00 177.00 173.99 1jbj s LEU 148 N -5.85 4.21 -0.49 -3.56 0.20 -1.26 -4.57 118.68 107.36 1jbj s LEU 148 Ca 0.66 -1.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.03 1jbj s LEU 148 Cb -0.10 -1.74 0.00 0.00 -0.43 0.00 0.00 46.19 43.92 1jbj s LEU 148 CO 0.51 -0.32 0.02 -3.20 -0.29 0.00 0.00 176.35 173.08 1jbj n ASN 149 N 4.61 -2.44 -3.84 3.68 5.15 -1.26 -5.04 115.26 116.13 1jbj n ASN 149 Ca -0.10 -0.02 -0.12 0.00 -0.60 0.00 0.00 54.58 53.74 1jbj n ASN 149 Cb 0.43 -1.74 -0.11 0.00 -0.53 0.00 0.00 39.78 37.83 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 -2.35 -0.38 -0.33 5.20 0.00 -1.26 -5.07 121.76 117.57 1jbj s ALA 150 Ca 0.01 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1jbj s ALA 150 Cb -0.01 -0.09 0.16 0.00 0.00 0.00 0.00 23.12 23.18 1jbj s ALA 150 CO 0.01 -0.14 1.16 -2.37 0.00 0.00 0.00 175.76 174.42 1jbj n THR 151 N 2.23 0.00 -1.65 0.00 5.66 -1.26 -4.66 114.28 114.60 1jbj n THR 151 Ca -0.17 -0.76 -0.34 0.00 -3.05 0.00 0.00 64.05 59.73 1jbj n THR 151 Cb 0.57 0.75 0.01 0.00 -1.55 0.00 0.00 70.33 70.12 1jbj n THR 151 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1jbj n LYS 152 N -0.28 2.57 -1.44 1.09 2.85 -1.26 -4.76 118.16 116.94 1jbj n LYS 152 Ca -0.20 -3.00 -0.15 0.00 -1.05 0.00 0.00 58.31 53.91 1jbj n LYS 152 Cb 0.69 -2.19 -0.07 0.00 -0.65 0.00 0.00 35.03 32.81 1jbj n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1jbj n ASN 153 N -0.09 -4.12 -4.59 -5.58 0.23 -1.26 -4.92 115.26 94.93 1jbj n ASN 153 Ca 0.52 0.38 -0.29 0.00 -0.53 0.00 0.00 54.58 54.66 1jbj n ASN 153 Cb 0.40 -3.74 -0.09 0.00 -2.08 0.00 0.00 39.78 34.27 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1jbj s THR 154 N -2.29 1.42 -0.02 5.53 -4.23 -1.26 -1.80 115.64 112.99 1jbj s THR 154 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1jbj s THR 154 Cb 0.00 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1jbj s THR 154 CO 0.00 0.00 -0.06 0.86 -0.54 0.00 0.00 174.62 174.88 1jbj s TRP 155 N -2.91 0.70 -0.80 3.99 -0.00 0.57 -4.85 118.94 115.65 1jbj s TRP 155 Ca 0.23 -0.16 -0.25 0.00 -0.00 0.00 0.00 56.10 55.92 1jbj s TRP 155 Cb 0.06 -0.53 0.04 0.00 -0.00 0.00 0.00 33.47 33.04 1jbj s TRP 155 CO 0.12 -0.09 1.27 1.21 -0.00 0.00 0.00 176.95 179.46 1jbj s ASN 156 N 0.29 6.26 0.06 5.86 2.47 -1.26 -1.00 114.94 127.61 1jbj s ASN 156 Ca -0.04 -0.80 0.12 0.00 0.42 0.00 0.00 52.86 52.56 1jbj s ASN 156 Cb -0.08 -2.54 -0.18 0.00 -1.45 0.00 0.00 41.25 37.00 1jbj s ASN 156 CO 0.00 -1.69 0.95 -0.07 -3.72 0.00 0.00 177.10 172.57 1jbj h LEU 157 N 12.67 0.00 0.00 3.21 3.38 -1.83 -3.50 115.31 129.24 1jbj h LEU 157 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jbj h LEU 157 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1jbj h LEU 157 CO 1.30 0.87 0.00 0.61 0.09 0.00 0.00 178.44 181.30 1jbj n GLY 158 N 1.43 0.22 3.48 0.83 0.00 -1.25 -3.88 105.19 106.02 1jbj n GLY 158 Ca -0.09 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 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 5.78 0.53 1.61 2.47 -1.26 -0.25 114.94 119.82 1jbj s ASN 159 Ca 0.00 -0.46 0.43 0.00 0.42 0.00 0.00 52.86 53.25 1jbj s ASN 159 Cb 0.00 -2.06 1.63 0.00 -1.45 0.00 0.00 41.25 39.37 1jbj s ASN 159 CO 0.00 -0.21 1.64 -0.55 -3.72 0.00 0.00 177.10 174.26 1jbj h ASN 160 N 8.41 0.05 -0.91 -4.21 7.08 -1.90 0.93 115.58 125.02 1jbj h ASN 160 Ca -0.32 0.03 0.06 0.00 -3.08 0.00 0.00 56.30 52.98 1jbj h ASN 160 Cb 1.15 0.02 -0.06 0.00 -2.08 0.00 0.00 38.32 37.36 1jbj h ASN 160 CO 0.62 -0.03 0.59 0.00 -2.08 0.00 0.00 177.43 176.53 1jbj h ALA 161 N 1.22 1.49 0.00 4.14 0.00 -1.85 -3.37 119.26 120.89 1jbj h ALA 161 Ca 0.83 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.48 1jbj h ALA 161 Cb 3.18 -0.28 -0.15 0.00 0.00 0.00 0.00 17.79 20.54 1jbj h ALA 161 CO -0.09 0.39 -0.44 1.17 0.00 0.00 0.00 179.25 180.28 1jbj n LYS 162 N -4.48 0.91 -4.15 0.00 4.81 0.29 -4.82 118.16 110.72 1jbj n LYS 162 Ca 0.13 -1.82 -0.29 0.00 -0.87 0.00 0.00 58.31 55.46 1jbj n LYS 162 Cb 0.17 -1.14 -0.08 0.00 0.02 0.00 0.00 35.03 34.00 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1jbj s ASP 163 N -1.37 4.94 0.11 3.14 -4.77 0.76 -4.62 116.67 114.85 1jbj s ASP 163 Ca 0.25 -0.23 -0.31 0.00 -3.30 0.00 0.00 52.55 48.97 1jbj s ASP 163 Cb 0.27 -1.14 -0.09 0.00 -1.09 0.00 0.00 42.92 40.86 1jbj s ASP 163 CO -0.12 0.16 1.73 -2.16 0.70 0.00 0.00 175.17 175.48 1jbj s PRO 164 N -2.41 4.17 0.37 2.11 0.04 -1.25 -4.85 135.00 133.17 1jbj s PRO 164 Ca 0.26 2.46 0.08 0.00 0.04 0.00 0.00 61.00 63.84 1jbj s PRO 164 Cb -0.11 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 1jbj s PRO 164 CO 0.18 -0.77 0.22 -0.98 0.04 0.00 0.00 177.00 175.69 1jbj s ARG 165 N 2.52 2.43 0.00 4.56 1.04 -1.26 -4.96 118.95 123.28 1jbj s ARG 165 Ca 0.77 -1.56 0.00 0.00 -1.04 0.00 0.00 55.73 53.90 1jbj s ARG 165 Cb -0.43 -2.23 0.00 0.00 -2.04 0.00 0.00 34.95 30.25 1jbj s ARG 165 CO 0.34 0.00 0.00 0.41 -0.04 0.00 0.00 175.30 176.01 1jbj n GLY 166 N -1.28 -0.09 3.43 3.88 0.00 -1.02 -5.02 105.19 105.08 1jbj n GLY 166 Ca -0.01 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1jbj n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jbj s THR 167 N -4.00 2.84 -0.05 2.61 -4.23 -1.25 -1.65 115.64 109.90 1jbj s THR 167 Ca 0.00 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1jbj s THR 167 Cb 0.00 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.77 1jbj s THR 167 CO 0.00 0.58 0.01 -0.31 -0.54 0.00 0.00 174.62 174.36 1jbj s TYR 168 N -0.57 0.44 -0.11 3.99 1.51 -0.21 -4.05 117.35 118.36 1jbj s TYR 168 Ca 0.08 -0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 56.08 1jbj s TYR 168 Cb -0.11 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.10 1jbj s TYR 168 CO 0.01 -0.23 0.02 1.14 -1.11 0.00 0.00 175.55 175.39 1jbj s GLN 169 N 1.64 3.26 0.13 -0.62 -2.07 0.39 0.13 119.66 122.52 1jbj s GLN 169 Ca -0.01 -0.37 0.08 0.00 -1.82 0.00 0.00 55.36 53.24 1jbj s GLN 169 Cb -0.13 -2.92 -0.04 0.00 -1.09 0.00 0.00 33.01 28.83 1jbj s GLN 169 CO -0.03 0.60 -0.12 0.00 -1.32 0.00 0.00 175.29 174.42 1jbj s GLN 171 N -2.41 1.23 0.30 0.00 -0.44 0.38 0.01 119.66 118.73 1jbj s GLN 171 Ca 0.22 -0.87 0.03 0.00 -2.50 0.00 0.00 55.36 52.24 1jbj s GLN 171 Cb -0.10 -2.41 -0.03 0.00 -1.64 0.00 0.00 33.01 28.83 1jbj s GLN 171 CO 0.13 -0.67 0.45 0.20 0.50 0.00 0.00 175.29 175.91 1jbj s GLY 172 N 1.54 1.29 0.07 2.59 0.00 0.33 -1.50 107.32 111.63 1jbj s GLY 172 Ca -0.02 -1.10 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 1jbj s GLY 172 CO -0.09 -1.08 0.62 0.00 0.00 0.00 0.00 173.10 172.55 1jbj n ALA 173 N -1.60 -0.25 -0.73 3.20 0.00 -0.92 -1.88 120.51 118.34 1jbj n ALA 173 Ca -0.06 0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.73 1jbj n ALA 173 Cb 0.57 -0.06 0.01 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 1.27 -3.62 0.00 4.81 -1.26 -5.00 118.16 109.85 1jbj n LYS 174 Ca 0.01 -1.13 -0.24 0.00 -0.87 0.00 0.00 58.31 56.08 1jbj n LYS 174 Cb 0.11 -0.79 -0.17 0.00 0.02 0.00 0.00 35.03 34.20 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1jbj s GLU 175 N -0.65 0.03 -0.34 1.64 2.02 -0.79 -5.12 118.70 115.49 1jbj s GLU 175 Ca 0.03 0.07 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 1jbj s GLU 175 Cb 0.03 -1.43 0.01 0.00 0.10 0.00 0.00 34.13 32.83 1jbj s GLU 175 CO 0.00 -0.58 0.19 0.99 0.02 0.00 0.00 175.26 175.88 1jbj s THR 176 N 2.16 4.67 0.60 3.63 2.01 -1.26 0.12 115.64 127.57 1jbj s THR 176 Ca 0.03 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.28 1jbj s THR 176 Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1jbj s THR 176 CO -0.08 -0.07 1.13 -0.55 -0.69 0.00 0.00 174.62 174.37 1jbj s SER 177 N 1.60 5.40 0.59 3.53 0.15 0.10 -4.91 113.70 120.16 1jbj s SER 177 Ca 0.04 2.14 -0.08 0.00 0.70 0.00 0.00 55.95 58.75 1jbj s SER 177 Cb -0.18 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1jbj s SER 177 CO 0.07 -1.44 0.95 0.20 1.20 0.00 0.00 173.24 174.21 1jbj s ASN 178 N -2.04 5.92 -0.35 5.45 0.01 -1.26 -2.70 114.94 119.96 1jbj s ASN 178 Ca 0.71 1.05 -0.34 0.00 -0.71 0.00 0.00 52.86 53.57 1jbj s ASN 178 Cb -0.24 -2.10 -0.11 0.00 0.41 0.00 0.00 41.25 39.21 1jbj s ASN 178 CO 0.33 -0.94 2.22 -2.65 -1.51 0.00 0.00 177.10 174.55 1jbj n PRO 179 N -2.63 1.15 -2.86 -0.60 -0.02 -1.25 -4.50 135.00 124.28 1jbj n PRO 179 Ca 0.04 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 1jbj n PRO 179 Cb 0.56 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 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 7.67 4.31 -0.87 2.45 2.96 0.34 -4.63 118.68 130.92 1jbj s LEU 180 Ca 1.09 1.40 -0.18 0.00 -0.22 0.00 0.00 54.13 56.21 1jbj s LEU 180 Cb -0.78 -3.33 0.14 0.00 0.50 0.00 0.00 46.19 42.71 1jbj s LEU 180 CO 0.46 -0.24 1.03 -1.58 -1.32 0.00 0.00 176.35 174.71 1jbj s GLN 181 N 1.17 3.52 -0.36 1.98 0.74 -1.23 -1.04 119.66 124.43 1jbj s GLN 181 Ca 0.44 -1.75 -0.19 0.00 0.05 0.00 0.00 55.36 53.92 1jbj s GLN 181 Cb -0.19 -4.75 -0.00 0.00 1.10 0.00 0.00 33.01 29.18 1jbj s GLN 181 CO 0.21 -1.70 0.56 0.08 -0.55 0.00 0.00 175.29 173.90 1jbj s VAL 182 N 2.46 4.97 -0.09 1.34 1.01 -0.66 0.14 120.40 129.57 1jbj s VAL 182 Ca 0.28 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.71 1jbj s VAL 182 Cb -0.08 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1jbj s VAL 182 CO -0.07 -0.27 -0.23 -0.47 0.00 0.00 0.00 175.10 174.07 1jbj s TYR 183 N 2.51 2.56 -0.44 5.22 5.04 -0.52 -2.44 117.35 129.29 1jbj s TYR 183 Ca 0.21 -0.93 0.05 0.00 -2.44 0.00 0.00 57.07 53.96 1jbj s TYR 183 Cb -0.15 -1.69 0.19 0.00 0.35 0.00 0.00 41.96 40.66 1jbj s TYR 183 CO 0.14 -0.35 0.49 2.48 -1.34 0.00 0.00 175.55 176.97 1jbj n TYR 184 N 3.37 -1.66 -4.40 4.97 0.18 -1.26 -1.59 117.16 116.78 1jbj n TYR 184 Ca -0.19 -2.81 -0.25 0.00 1.88 0.00 0.00 57.90 56.53 1jbj n TYR 184 Cb 0.53 0.53 -0.09 0.00 -0.38 0.00 0.00 39.34 39.92 1jbj n TYR 184 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1jbj s ARG 185 N 0.09 2.03 0.00 -3.48 3.52 -1.23 -4.61 118.95 115.26 1jbj s ARG 185 Ca 0.33 -1.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.07 1jbj s ARG 185 Cb 0.06 -1.84 0.00 0.00 -1.56 0.00 0.00 34.95 31.61 1jbj s ARG 185 CO -0.16 0.07 0.00 -0.12 -0.81 0.00 0.00 175.30 174.29