#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 -8.08 -4.78 -2.24 9.92 -1.26 -4.85 116.55 105.26 1jbj n ASP 2 Ca 0.00 1.13 -0.41 0.00 -0.53 0.00 0.00 54.79 54.98 1jbj n ASP 2 Cb 0.00 -4.14 -0.01 0.00 -0.64 0.00 0.00 41.12 36.33 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbj s ALA 3 N -2.48 3.53 -0.16 2.24 0.00 -1.26 -4.95 121.76 118.68 1jbj s ALA 3 Ca 0.00 1.49 -0.28 0.00 0.00 0.00 0.00 51.96 53.17 1jbj s ALA 3 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1jbj s ALA 3 CO 0.00 -0.96 0.96 -1.83 0.00 0.00 0.00 175.76 173.93 1jbj s GLU 4 N -2.04 4.33 -0.44 0.00 -1.05 -1.26 -4.95 118.70 113.29 1jbj s GLU 4 Ca 0.52 1.25 0.02 0.00 -0.15 0.00 0.00 54.97 56.61 1jbj s GLU 4 Cb -0.45 -3.58 0.21 0.00 -0.44 0.00 0.00 34.13 29.87 1jbj s GLU 4 CO 0.60 -0.41 0.91 -1.71 0.95 0.00 0.00 175.26 175.60 1jbj n ASN 5 N 5.48 -2.59 -4.80 0.83 2.85 -1.26 -5.07 115.26 110.69 1jbj n ASN 5 Ca 0.08 -2.26 -0.31 0.00 -0.11 0.00 0.00 54.58 51.98 1jbj n ASN 5 Cb 0.48 1.36 -0.05 0.00 1.24 0.00 0.00 39.78 42.81 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 0.82 1.36 0.02 -1.44 1.09 -1.26 -5.15 121.20 116.64 1jbj s ILE 6 Ca 0.28 -1.83 0.02 0.00 -1.10 0.00 0.00 60.65 58.01 1jbj s ILE 6 Cb 0.09 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.26 1jbj s ILE 6 CO -0.10 0.00 0.03 -1.61 -0.10 0.00 0.00 174.94 173.16 1jbj s GLU 7 N -4.00 2.84 0.50 2.79 2.02 -1.26 -4.72 118.70 116.86 1jbj s GLU 7 Ca 0.16 -0.61 -0.23 0.00 0.02 0.00 0.00 54.97 54.30 1jbj s GLU 7 Cb 0.01 -2.71 -0.06 0.00 0.10 0.00 0.00 34.13 31.46 1jbj s GLU 7 CO 0.09 0.61 1.36 0.71 0.02 0.00 0.00 175.26 178.06 1jbj s TYR 8 N -1.17 2.43 -0.18 1.61 1.51 -1.26 -4.75 117.35 115.54 1jbj s TYR 8 Ca 0.22 1.35 0.01 0.00 -1.01 0.00 0.00 57.07 57.64 1jbj s TYR 8 Cb -0.12 -3.79 0.03 0.00 -0.11 0.00 0.00 41.96 37.96 1jbj s TYR 8 CO 0.13 -2.73 -0.16 0.15 -1.11 0.00 0.00 175.55 171.83 1jbj s LYS 9 N -2.69 2.58 -0.12 -0.62 3.01 -1.02 -4.89 119.74 116.00 1jbj s LYS 9 Ca 0.66 -0.77 -0.04 0.00 -1.01 0.00 0.00 55.97 54.81 1jbj s LYS 9 Cb -0.40 -2.41 -0.04 0.00 -1.01 0.00 0.00 37.83 33.97 1jbj s LYS 9 CO 0.49 -0.27 0.04 0.08 0.51 0.00 0.00 175.35 176.21 1jbj s VAL 10 N 1.36 4.62 -0.21 3.17 1.01 -1.26 0.20 120.40 129.29 1jbj s VAL 10 Ca 0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 1jbj s VAL 10 Cb -0.14 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.34 1jbj s VAL 10 CO -0.11 0.57 0.46 -0.44 0.00 0.00 0.00 175.10 175.58 1jbj s SER 11 N -0.58 -0.43 -0.20 3.32 0.01 -0.66 -4.97 113.70 110.19 1jbj s SER 11 Ca 0.10 1.09 -0.22 0.00 1.31 0.00 0.00 55.95 58.23 1jbj s SER 11 Cb -0.12 1.46 -0.02 0.00 0.21 0.00 0.00 66.02 67.55 1jbj s SER 11 CO 0.02 -0.23 0.71 -0.63 0.41 0.00 0.00 173.24 173.53 1jbj s ILE 12 N 2.55 4.95 -0.23 1.44 1.01 -1.26 -0.57 121.20 129.09 1jbj s ILE 12 Ca -0.03 1.35 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1jbj s ILE 12 Cb -0.12 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.39 1jbj s ILE 12 CO -0.14 0.06 -0.08 -0.44 0.00 0.00 0.00 174.94 174.34 1jbj s SER 13 N 1.23 3.93 -1.00 3.58 0.01 0.71 -4.86 113.70 117.29 1jbj s SER 13 Ca 0.32 -1.18 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 1jbj s SER 13 Cb -0.16 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.79 1jbj s SER 13 CO 0.10 -0.20 0.69 0.61 0.41 0.00 0.00 173.24 174.85 1jbj n GLY 14 N 4.61 -1.10 2.82 3.44 0.00 -1.26 -0.23 105.19 113.47 1jbj n GLY 14 Ca -0.13 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.59 0.00 -4.30 2.61 -1.04 -1.26 -4.85 114.28 101.85 1jbj n THR 15 Ca -0.17 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.54 1jbj n THR 15 Cb 0.61 -0.90 -0.17 0.00 -1.82 0.00 0.00 70.33 68.05 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 -2.05 2.68 0.30 8.00 0.01 0.68 0.10 113.70 123.43 1jbj s SER 16 Ca 0.00 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 1jbj s SER 16 Cb 0.00 -1.20 -0.07 0.00 0.21 0.00 0.00 66.02 64.95 1jbj s SER 16 CO 0.00 -0.00 0.65 -0.69 0.41 0.00 0.00 173.24 173.61 1jbj s VAL 17 N 1.17 4.83 -0.19 3.43 1.01 0.30 0.26 120.40 131.21 1jbj s VAL 17 Ca -0.01 0.61 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1jbj s VAL 17 Cb -0.14 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.66 1jbj s VAL 17 CO -0.06 -0.23 0.14 -0.70 0.00 0.00 0.00 175.10 174.26 1jbj s GLU 18 N -3.17 0.12 0.20 2.72 2.12 0.27 0.18 118.70 121.14 1jbj s GLU 18 Ca 0.50 0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.80 1jbj s GLU 18 Cb -0.11 -1.56 -0.05 0.00 0.26 0.00 0.00 34.13 32.67 1jbj s GLU 18 CO 0.23 -0.68 0.44 -0.51 -0.54 0.00 0.00 175.26 174.19 1jbj s LEU 19 N 2.21 4.20 -0.26 2.70 1.43 0.32 -1.66 118.68 127.63 1jbj s LEU 19 Ca 0.04 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1jbj s LEU 19 Cb -0.16 -3.37 0.05 0.00 0.03 0.00 0.00 46.19 42.75 1jbj s LEU 19 CO -0.11 -0.04 -0.11 -0.89 0.23 0.00 0.00 176.35 175.43 1jbj s THR 20 N -1.82 2.28 0.19 5.49 2.01 0.13 -0.60 115.64 123.32 1jbj s THR 20 Ca 0.42 -1.52 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 1jbj s THR 20 Cb -0.11 -2.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.03 1jbj s THR 20 CO 0.26 0.03 1.04 0.00 -0.69 0.00 0.00 174.62 175.26 1jbj n PRO 22 N 2.13 0.81 -4.54 0.00 -0.04 -1.26 -4.68 135.00 127.43 1jbj n PRO 22 Ca 0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.14 1jbj n PRO 22 Cb 0.47 -1.04 -0.16 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.90 2.16 0.46 1.53 1.43 -1.26 -4.51 118.68 117.60 1jbj s LEU 23 Ca 0.00 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1jbj s LEU 23 Cb 0.00 -1.47 -0.12 0.00 0.03 0.00 0.00 46.19 44.63 1jbj s LEU 23 CO 0.00 0.06 0.45 0.47 0.23 0.00 0.00 176.35 177.57 1jbj n ASP 24 N 4.19 -1.29 -4.56 2.29 8.00 -1.26 -4.62 116.55 119.30 1jbj n ASP 24 Ca -0.20 0.84 -0.36 0.00 0.71 0.00 0.00 54.79 55.77 1jbj n ASP 24 Cb 0.51 -1.09 -0.04 0.00 -0.02 0.00 0.00 41.12 40.49 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 5.80 0.58 -2.24 1.04 -1.26 -4.83 113.70 111.78 1jbj s SER 25 Ca 0.64 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 1jbj s SER 25 Cb -0.56 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.03 1jbj s SER 25 CO 0.58 -2.10 0.85 -1.81 0.98 0.00 0.00 173.24 171.74 1jbj s ASP 26 N 6.23 5.41 0.00 7.02 1.11 -1.26 -4.90 116.67 130.28 1jbj s ASP 26 Ca 0.55 0.41 0.00 0.00 0.18 0.00 0.00 52.55 53.69 1jbj s ASP 26 Cb -0.06 -1.36 0.00 0.00 1.07 0.00 0.00 42.92 42.57 1jbj s ASP 26 CO 0.03 -1.12 0.97 -1.84 1.18 0.00 0.00 175.17 174.40 1jbj n GLU 27 N -2.49 0.83 -0.46 8.23 0.28 -1.26 -2.35 120.64 123.42 1jbj n GLU 27 Ca 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.05 1jbj n GLU 27 Cb 0.59 -1.08 -0.01 0.00 1.43 0.00 0.00 31.44 32.37 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 0.74 -0.07 -4.72 -1.84 3.02 -1.26 -5.08 115.26 106.04 1jbj n ASN 28 Ca 0.00 -0.90 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 1jbj n ASN 28 Cb 0.42 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.28 3.41 2.96 -0.99 -4.30 118.68 124.42 1jbj s LEU 29 Ca 0.00 1.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.43 1jbj s LEU 29 Cb 0.00 -3.34 -0.06 0.00 0.50 0.00 0.00 46.19 43.29 1jbj s LEU 29 CO 0.00 -0.14 0.01 -0.54 -1.32 0.00 0.00 176.35 174.36 1jbj s LYS 30 N 0.62 1.51 0.42 1.98 1.02 -1.03 -2.41 119.74 121.85 1jbj s LYS 30 Ca 0.44 -1.80 0.03 0.00 0.02 0.00 0.00 55.97 54.67 1jbj s LYS 30 Cb -0.20 -0.82 -0.03 0.00 -0.52 0.00 0.00 37.83 36.26 1jbj s LYS 30 CO 0.24 -0.11 0.09 -1.58 -0.92 0.00 0.00 175.35 173.08 1jbj s TRP 31 N -3.29 1.83 0.03 3.18 0.52 -1.17 -2.60 118.94 117.44 1jbj s TRP 31 Ca 0.32 -1.18 -0.13 0.00 0.02 0.00 0.00 56.10 55.14 1jbj s TRP 31 Cb 0.06 -1.27 0.02 0.00 -1.15 0.00 0.00 33.47 31.13 1jbj s TRP 31 CO 0.12 -0.15 0.28 -2.00 0.02 0.00 0.00 176.95 175.22 1jbj s GLU 32 N -3.76 0.74 -0.12 4.98 -6.30 -0.43 -1.07 118.70 112.74 1jbj s GLU 32 Ca 0.21 -0.46 -0.05 0.00 -2.50 0.00 0.00 54.97 52.18 1jbj s GLU 32 Cb 0.03 0.32 0.06 0.00 0.00 0.00 0.00 34.13 34.54 1jbj s GLU 32 CO 0.12 -0.22 0.27 0.21 0.02 0.00 0.00 175.26 175.65 1jbj s LYS 33 N -2.23 0.18 0.56 4.30 2.36 0.13 -2.11 119.74 122.93 1jbj s LYS 33 Ca -0.07 0.68 0.00 0.00 -2.55 0.00 0.00 55.97 54.02 1jbj s LYS 33 Cb -0.02 -0.06 0.00 0.00 -1.05 0.00 0.00 37.83 36.70 1jbj s LYS 33 CO -0.02 -0.23 0.00 -1.71 1.55 0.00 0.00 175.35 174.94 1jbj n ASN 34 N 4.89 0.00 -0.35 1.43 5.15 -0.79 -0.87 115.26 124.71 1jbj n ASN 34 Ca -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1jbj n ASN 34 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jbj n GLY 35 N 0.00 -0.20 3.16 8.20 0.00 -1.26 -4.83 105.19 110.25 1jbj n GLY 35 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.79 -0.15 1.61 -0.21 -0.05 -5.14 119.66 116.51 1jbj s GLN 36 Ca 0.00 -0.99 -0.09 0.00 0.02 0.00 0.00 55.36 54.30 1jbj s GLN 36 Cb 0.00 -0.67 -0.05 0.00 1.00 0.00 0.00 33.01 33.29 1jbj s GLN 36 CO 0.00 0.13 0.16 -1.21 -2.12 0.00 0.00 175.29 172.25 1jbj s GLU 37 N -2.04 3.81 -0.50 2.91 2.02 -1.26 0.22 118.70 123.86 1jbj s GLU 37 Ca -0.01 -0.13 -0.17 0.00 0.02 0.00 0.00 54.97 54.69 1jbj s GLU 37 Cb -0.08 -3.30 0.07 0.00 0.10 0.00 0.00 34.13 30.93 1jbj s GLU 37 CO 0.01 0.55 0.50 -0.51 0.02 0.00 0.00 175.26 175.83 1jbj s LEU 38 N -0.38 5.42 0.86 1.80 1.43 -0.23 -4.95 118.68 122.63 1jbj s LEU 38 Ca 0.13 -1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 51.88 1jbj s LEU 38 Cb -0.12 -2.28 0.11 0.00 0.03 0.00 0.00 46.19 43.93 1jbj s LEU 38 CO 0.02 -0.77 1.18 -2.16 0.23 0.00 0.00 176.35 174.85 1jbj s PRO 39 N 2.04 1.56 -1.00 1.29 0.04 -1.26 -3.06 135.00 134.62 1jbj s PRO 39 Ca 0.08 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1jbj s PRO 39 Cb -0.23 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1jbj s PRO 39 CO 0.08 -1.87 0.00 1.04 0.04 0.00 0.00 177.00 176.29 1jbj n GLN 40 N -3.50 -1.22 -2.94 4.56 3.00 -1.26 -4.90 117.38 111.11 1jbj n GLN 40 Ca 0.08 0.78 -0.37 0.00 -0.01 0.00 0.00 57.00 57.48 1jbj n GLN 40 Cb 0.60 -4.91 -0.01 0.00 0.00 0.00 0.00 30.24 25.93 1jbj n GLN 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1jbj n LYS 41 N -1.59 4.29 -1.10 -1.09 0.00 -1.26 -4.85 118.16 112.57 1jbj n LYS 41 Ca -0.09 -4.66 -0.20 0.00 0.00 0.00 0.00 58.31 53.35 1jbj n LYS 41 Cb 0.45 -2.41 -0.00 0.00 0.00 0.00 0.00 35.03 33.07 1jbj n LYS 41 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1jbj n HIS 42 N 0.54 1.52 -4.38 5.64 1.44 -1.01 -3.68 115.22 115.28 1jbj n HIS 42 Ca 0.34 -1.95 -0.28 0.00 -2.01 0.00 0.00 57.72 53.82 1jbj n HIS 42 Cb 0.33 -1.12 -0.13 0.00 0.12 0.00 0.00 29.99 29.19 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 0.29 3.22 0.27 4.39 -1.08 -1.26 -4.35 116.67 118.14 1jbj s ASP 43 Ca 0.42 -0.74 0.04 0.00 -0.52 0.00 0.00 52.55 51.74 1jbj s ASP 43 Cb 0.29 -0.21 0.37 0.00 -1.46 0.00 0.00 42.92 41.91 1jbj s ASP 43 CO -0.08 0.17 1.66 0.50 0.52 0.00 0.00 175.17 177.94 1jbj h LYS 44 N 3.92 0.36 -5.32 4.34 3.64 -1.88 -3.43 116.57 118.20 1jbj h LYS 44 Ca -0.50 -0.18 -0.64 0.00 -1.27 0.00 0.00 60.65 58.06 1jbj h LYS 44 Cb 1.17 -0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.75 1jbj h LYS 44 CO 0.39 0.71 -0.71 -3.38 -2.27 0.00 0.00 179.45 174.20 1jbj s HIS 45 N -4.19 2.94 -0.16 1.91 -3.43 -1.26 0.12 115.29 111.23 1jbj s HIS 45 Ca -0.06 -0.43 -0.06 0.00 -0.80 0.00 0.00 55.06 53.72 1jbj s HIS 45 Cb 0.13 -1.91 -0.04 0.00 -1.43 0.00 0.00 32.58 29.33 1jbj s HIS 45 CO 0.79 -0.10 0.05 -1.17 -2.00 0.00 0.00 174.74 172.31 1jbj s LEU 46 N 0.34 3.77 0.01 5.38 2.96 0.23 -4.89 118.68 126.48 1jbj s LEU 46 Ca -0.07 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1jbj s LEU 46 Cb -0.15 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1jbj s LEU 46 CO 0.04 0.23 0.01 -0.69 -1.32 0.00 0.00 176.35 174.63 1jbj s VAL 47 N -0.00 4.21 -0.42 1.68 1.01 -1.26 0.12 120.40 125.73 1jbj s VAL 47 Ca 0.05 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1jbj s VAL 47 Cb -0.12 -2.90 0.12 0.00 0.00 0.00 0.00 36.38 33.47 1jbj s VAL 47 CO 0.01 0.33 0.18 -0.76 0.00 0.00 0.00 175.10 174.86 1jbj s LEU 48 N -1.71 3.57 -0.15 3.92 1.43 0.48 -4.93 118.68 121.29 1jbj s LEU 48 Ca 0.21 -2.49 -0.29 0.00 -1.03 0.00 0.00 54.13 50.53 1jbj s LEU 48 Cb -0.12 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1jbj s LEU 48 CO 0.12 -0.30 1.09 -1.10 0.23 0.00 0.00 176.35 176.39 1jbj s GLN 49 N 0.47 4.33 -0.38 1.70 -0.21 -1.26 0.11 119.66 124.41 1jbj s GLN 49 Ca 0.15 1.47 -0.01 0.00 0.02 0.00 0.00 55.36 56.99 1jbj s GLN 49 Cb -0.23 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.16 1jbj s GLN 49 CO -0.05 -0.50 0.35 -3.47 -2.12 0.00 0.00 175.29 169.49 1jbj n ASP 50 N 5.72 -4.55 -4.67 5.90 2.03 0.28 -4.96 116.55 116.31 1jbj n ASP 50 Ca 0.11 -0.11 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 1jbj n ASP 50 Cb 0.47 -2.92 0.04 0.00 -0.72 0.00 0.00 41.12 37.99 1jbj n ASP 50 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1jbj n PHE 51 N -1.61 1.60 -3.91 -0.67 7.35 -1.16 -4.99 117.46 114.07 1jbj n PHE 51 Ca -0.01 0.47 -0.34 0.00 -0.76 0.00 0.00 57.45 56.81 1jbj n PHE 51 Cb 0.52 -2.27 -0.14 0.00 0.35 0.00 0.00 39.48 37.94 1jbj n PHE 51 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1jbj s SER 52 N -0.93 4.91 0.13 -2.13 0.01 -1.26 -4.60 113.70 109.83 1jbj s SER 52 Ca 0.70 -1.65 0.05 0.00 1.31 0.00 0.00 55.95 56.35 1jbj s SER 52 Cb -0.46 -1.71 -0.14 0.00 0.21 0.00 0.00 66.02 63.93 1jbj s SER 52 CO 0.51 -0.35 1.30 -0.08 0.41 0.00 0.00 173.24 175.04 1jbj h GLU 53 N 7.91 0.07 -0.82 12.44 4.81 -1.71 -3.26 114.58 134.03 1jbj h GLU 53 Ca -0.16 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1jbj h GLU 53 Cb 1.05 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 1jbj h GLU 53 CO 0.57 0.99 0.53 0.28 -0.73 0.00 0.00 179.01 180.65 1jbj h VAL 54 N 0.03 1.03 -0.16 0.32 2.07 -1.90 -0.62 116.25 117.01 1jbj h VAL 54 Ca -0.03 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1jbj h VAL 54 Cb 1.70 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1jbj h VAL 54 CO 0.14 0.16 0.36 -0.33 0.02 0.00 0.00 177.57 177.91 1jbj h GLU 55 N 0.87 0.00 -3.04 1.57 5.08 -1.94 -3.45 114.58 113.67 1jbj h GLU 55 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1jbj h GLU 55 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jbj h GLU 55 CO -0.13 0.00 -0.01 -3.47 -1.00 0.00 0.00 179.01 174.40 1jbj n ASP 56 N -3.26 -2.09 -1.43 1.42 -0.08 -0.24 -4.92 116.55 105.95 1jbj n ASP 56 Ca 0.02 -0.01 0.17 0.00 -1.51 0.00 0.00 54.79 53.46 1jbj n ASP 56 Cb 0.46 -0.78 -0.09 0.00 2.34 0.00 0.00 41.12 43.05 1jbj n ASP 56 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1jbj n SER 57 N -1.33 -7.73 -3.91 1.67 2.88 -1.26 -4.99 113.62 98.95 1jbj n SER 57 Ca -0.00 1.34 -0.11 0.00 -1.33 0.00 0.00 58.87 58.77 1jbj n SER 57 Cb 0.50 -4.84 -0.12 0.00 -0.75 0.00 0.00 64.21 59.00 1jbj n SER 57 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1jbj s GLY 58 N -7.18 0.10 -0.80 0.46 0.00 -1.08 -4.96 107.32 93.85 1jbj s GLY 58 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.32 1jbj s GLY 58 CO 0.00 -0.28 0.88 -0.19 0.00 0.00 0.00 173.10 173.52 1jbj s TYR 59 N -0.74 3.32 0.28 1.90 2.02 -1.25 -2.46 117.35 120.43 1jbj s TYR 59 Ca -0.08 -1.50 -0.04 0.00 -0.37 0.00 0.00 57.07 55.08 1jbj s TYR 59 Cb -0.05 -4.04 -0.05 0.00 -0.40 0.00 0.00 41.96 37.42 1jbj s TYR 59 CO -0.00 -1.26 0.53 0.71 -1.57 0.00 0.00 175.55 173.96 1jbj s TYR 60 N 1.77 3.48 0.03 2.71 1.51 0.81 -1.89 117.35 125.76 1jbj s TYR 60 Ca 0.22 0.58 -0.16 0.00 -1.01 0.00 0.00 57.07 56.69 1jbj s TYR 60 Cb -0.12 -2.05 0.03 0.00 -0.11 0.00 0.00 41.96 39.71 1jbj s TYR 60 CO -0.05 0.20 0.35 0.54 -1.11 0.00 0.00 175.55 175.48 1jbj s VAL 61 N -2.07 0.07 -0.02 0.71 0.11 -0.90 0.32 120.40 118.61 1jbj s VAL 61 Ca 0.43 -0.54 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1jbj s VAL 61 Cb -0.11 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1jbj s VAL 61 CO 0.30 -0.30 0.04 0.00 -3.33 0.00 0.00 175.10 171.82 1jbj s TYR 63 N 0.96 -0.14 0.17 0.00 1.13 -1.07 -4.54 117.35 113.86 1jbj s TYR 63 Ca -0.08 -0.05 0.07 0.00 -1.41 0.00 0.00 57.07 55.59 1jbj s TYR 63 Cb -0.11 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.86 1jbj s TYR 63 CO -0.03 -0.58 -0.14 0.99 -2.51 0.00 0.00 175.55 173.28 1jbj s THR 64 N -3.04 1.54 0.23 -3.49 2.01 -0.88 -2.46 115.64 109.55 1jbj s THR 64 Ca -0.02 -2.07 -0.07 0.00 0.31 0.00 0.00 61.69 59.85 1jbj s THR 64 Cb 0.01 -1.90 0.18 0.00 0.01 0.00 0.00 72.50 70.80 1jbj s THR 64 CO -0.06 -0.58 1.80 -0.65 -0.69 0.00 0.00 174.62 174.44 1jbj h PRO 65 N 2.83 0.68 0.00 4.92 0.11 -2.01 -0.92 132.00 137.61 1jbj h PRO 65 Ca -0.38 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1jbj h PRO 65 Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1jbj h PRO 65 CO 0.60 0.45 -0.08 0.00 -0.21 0.00 0.00 178.00 178.75 1jbj h ALA 66 N 1.41 0.98 -3.46 -0.75 0.00 -1.96 -3.40 119.26 112.08 1jbj h ALA 66 Ca 0.35 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 54.58 1jbj h ALA 66 Cb 0.31 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.69 1jbj h ALA 66 CO -0.23 0.10 -0.75 -1.12 0.00 0.00 0.00 179.25 177.25 1jbj s SER 67 N -6.01 4.18 0.00 0.00 0.01 -0.35 -4.96 113.70 106.57 1jbj s SER 67 Ca 0.03 -1.65 0.23 0.00 1.31 0.00 0.00 55.95 55.87 1jbj s SER 67 Cb 0.08 -1.18 1.18 0.00 0.21 0.00 0.00 66.02 66.31 1jbj s SER 67 CO 0.61 -0.35 1.78 0.59 0.41 0.00 0.00 173.24 176.29 1jbj n ASN 68 N 4.62 0.61 -4.65 2.44 3.02 -1.24 -2.07 115.26 118.00 1jbj n ASN 68 Ca -0.03 -1.42 -0.41 0.00 -0.03 0.00 0.00 54.58 52.69 1jbj n ASN 68 Cb 0.43 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jbj s LYS 69 N -1.95 4.20 0.09 3.52 -0.14 -1.26 -5.00 119.74 119.20 1jbj s LYS 69 Ca 0.34 0.77 0.02 0.00 -1.36 0.00 0.00 55.97 55.75 1jbj s LYS 69 Cb 0.17 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 1jbj s LYS 69 CO 0.27 -0.37 -0.07 0.54 -0.76 0.00 0.00 175.35 174.97 1jbj s ASN 70 N 1.28 1.07 0.19 2.83 4.22 -1.26 -4.81 114.94 118.46 1jbj s ASN 70 Ca 0.32 -0.91 0.10 0.00 -2.14 0.00 0.00 52.86 50.23 1jbj s ASN 70 Cb -0.16 0.08 -0.04 0.00 1.28 0.00 0.00 41.25 42.41 1jbj s ASN 70 CO 0.10 -0.41 -0.21 -0.89 -2.04 0.00 0.00 177.10 173.65 1jbj s THR 71 N -3.15 2.11 -0.46 0.54 2.01 -1.26 -5.05 115.64 110.38 1jbj s THR 71 Ca 0.07 -2.03 -0.24 0.00 0.31 0.00 0.00 61.69 59.80 1jbj s THR 71 Cb 0.02 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.54 1jbj s THR 71 CO -0.04 -0.25 0.83 -0.31 -0.69 0.00 0.00 174.62 174.16 1jbj s TYR 72 N -1.97 2.97 -0.24 4.92 1.51 -1.26 -4.48 117.35 118.79 1jbj s TYR 72 Ca 0.20 0.21 -0.22 0.00 -1.01 0.00 0.00 57.07 56.25 1jbj s TYR 72 Cb -0.06 -3.76 -0.01 0.00 -0.11 0.00 0.00 41.96 38.01 1jbj s TYR 72 CO 0.09 -1.03 0.71 -1.17 -1.11 0.00 0.00 175.55 173.04 1jbj s LEU 73 N 3.44 4.08 -0.42 -1.29 1.98 0.15 -3.19 118.68 123.42 1jbj s LEU 73 Ca 0.32 0.86 -0.06 0.00 -2.89 0.00 0.00 54.13 52.36 1jbj s LEU 73 Cb -0.12 -3.00 0.10 0.00 0.66 0.00 0.00 46.19 43.84 1jbj s LEU 73 CO 0.24 -0.42 0.25 -0.47 -1.89 0.00 0.00 176.35 174.06 1jbj s TYR 74 N 2.56 3.47 -0.36 5.38 5.04 -0.67 -0.14 117.35 132.65 1jbj s TYR 74 Ca 0.30 -2.04 -0.13 0.00 -2.44 0.00 0.00 57.07 52.76 1jbj s TYR 74 Cb -0.15 -3.19 -0.01 0.00 0.35 0.00 0.00 41.96 38.96 1jbj s TYR 74 CO 0.08 -0.95 0.26 -1.17 -1.34 0.00 0.00 175.55 172.44 1jbj s LEU 75 N 1.27 4.65 -0.24 6.97 0.20 -1.03 -2.04 118.68 128.46 1jbj s LEU 75 Ca 0.06 -0.52 -0.01 0.00 0.69 0.00 0.00 54.13 54.35 1jbj s LEU 75 Cb -0.24 -2.15 0.07 0.00 -0.43 0.00 0.00 46.19 43.44 1jbj s LEU 75 CO -0.02 -0.29 0.03 -0.75 -0.29 0.00 0.00 176.35 175.04 1jbj s LYS 76 N 1.73 0.94 0.38 1.98 2.36 -0.71 -2.65 119.74 123.78 1jbj s LYS 76 Ca 0.06 -0.80 -0.12 0.00 -2.55 0.00 0.00 55.97 52.56 1jbj s LYS 76 Cb -0.18 -2.22 0.04 0.00 -1.05 0.00 0.00 37.83 34.42 1jbj s LYS 76 CO 0.11 -0.74 0.71 0.00 1.55 0.00 0.00 175.35 176.98 1jbj s ALA 77 N 1.64 -0.31 -0.06 3.13 0.00 -1.26 -3.62 121.76 121.27 1jbj s ALA 77 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1jbj s ALA 77 Cb -0.18 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1jbj s ALA 77 CO -0.13 -0.93 -0.03 0.50 0.00 0.00 0.00 175.76 175.17 1jbj s ARG 78 N -2.43 0.86 0.06 0.00 3.52 -1.26 -4.07 118.95 115.63 1jbj s ARG 78 Ca 0.20 -0.05 0.08 0.00 -0.13 0.00 0.00 55.73 55.82 1jbj s ARG 78 Cb -0.04 -1.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.32 1jbj s ARG 78 CO 0.14 -0.18 -0.21 0.14 -0.81 0.00 0.00 175.30 174.37 1jbj s VAL 79 N 1.40 1.74 0.00 7.11 -7.23 -1.26 -4.93 120.40 117.23 1jbj s VAL 79 Ca -0.03 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1jbj s VAL 79 Cb -0.13 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.29 1jbj s VAL 79 CO -0.03 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1jbj n GLY 80 N 1.67 0.97 2.52 2.32 0.00 -1.26 -1.77 105.19 109.64 1jbj n GLY 80 Ca -0.18 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.70 7.68 -2.40 1.61 7.64 -1.26 -4.66 113.62 120.52 1jbj n SER 81 Ca 0.00 -3.08 -0.33 0.00 1.01 0.00 0.00 58.87 56.46 1jbj n SER 81 Cb 0.00 -1.40 0.06 0.00 -1.01 0.00 0.00 64.21 61.86 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 2.23 6.06 -2.78 -0.43 0.00 -0.73 -4.34 120.51 120.52 1jbj n ALA 82 Ca 0.61 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1jbj n ALA 82 Cb 0.26 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.29 1jbj n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jbj n ASP 83 N -0.78 1.31 -3.70 0.00 8.00 -1.26 -3.96 116.55 116.16 1jbj n ASP 83 Ca 0.56 -2.03 0.03 0.00 0.71 0.00 0.00 54.79 54.06 1jbj n ASP 83 Cb 0.63 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1jbj n ASP 83 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1jbj s ASP 84 N -3.41 -0.02 -0.05 -2.24 -4.77 -1.26 -5.07 116.67 99.84 1jbj s ASP 84 Ca 0.27 -0.11 0.01 0.00 -3.30 0.00 0.00 52.55 49.41 1jbj s ASP 84 Cb 0.33 0.10 -0.03 0.00 -1.09 0.00 0.00 42.92 42.24 1jbj s ASP 84 CO -0.06 -0.20 -0.04 0.00 0.70 0.00 0.00 175.17 175.57 1jbj n ALA 85 N -0.66 1.90 -2.62 2.11 0.00 -1.26 -5.03 120.51 114.95 1jbj n ALA 85 Ca -0.04 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 1jbj n ALA 85 Cb 0.61 0.38 0.01 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.61 -2.83 -2.95 0.00 4.01 -1.26 -4.93 118.16 107.59 1jbj n LYS 86 Ca -0.08 0.87 -0.44 0.00 -0.51 0.00 0.00 58.31 58.14 1jbj n LYS 86 Cb 0.59 -5.46 -0.03 0.00 -0.51 0.00 0.00 35.03 29.62 1jbj n LYS 86 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1jbj s LYS 87 N -5.23 3.55 0.11 1.97 1.02 -1.26 -4.82 119.74 115.08 1jbj s LYS 87 Ca 0.12 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.39 1jbj s LYS 87 Cb -0.06 -4.82 -0.19 0.00 -0.52 0.00 0.00 37.83 32.24 1jbj s LYS 87 CO 0.15 -1.74 1.24 0.22 -0.92 0.00 0.00 175.35 174.31 1jbj h ASP 88 N 8.83 0.27 0.00 2.83 1.82 -2.06 -3.43 116.42 124.68 1jbj h ASP 88 Ca 0.11 -0.27 -0.13 0.00 -0.39 0.00 0.00 57.03 56.35 1jbj h ASP 88 Cb 1.03 -0.09 -0.12 0.00 0.68 0.00 0.00 39.33 40.83 1jbj h ASP 88 CO 1.09 1.17 -0.08 0.00 -1.61 0.00 0.00 179.24 179.81 1jbj n ALA 89 N -2.47 -2.60 -1.87 -0.78 0.00 -1.26 -5.02 120.51 106.51 1jbj n ALA 89 Ca -0.05 -0.67 -0.22 0.00 0.00 0.00 0.00 53.44 52.50 1jbj n ALA 89 Cb 0.94 -2.62 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 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 0.13 1.30 0.00 0.00 0.00 -1.26 -4.57 121.76 117.35 1jbj s ALA 90 Ca 0.22 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1jbj s ALA 90 Cb 0.28 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1jbj s ALA 90 CO -0.16 -5.29 0.00 1.17 0.00 0.00 0.00 175.76 171.48 1jbj n LYS 91 N 8.79 0.00 -2.77 0.00 3.00 -1.26 -1.92 118.16 124.00 1jbj n LYS 91 Ca 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.70 1jbj n LYS 91 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.53 1jbj n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jbj n LYS 92 N 0.00 1.63 -1.51 1.64 0.00 -1.26 -5.11 118.16 113.55 1jbj n LYS 92 Ca 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 58.31 54.85 1jbj n LYS 92 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1jbj n LYS 92 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jbj n ASP 93 N -0.45 -8.25 -4.85 3.14 8.00 -0.81 -4.94 116.55 108.39 1jbj n ASP 93 Ca 0.09 1.19 -0.31 0.00 0.71 0.00 0.00 54.79 56.47 1jbj n ASP 93 Cb 0.81 -4.53 0.03 0.00 -0.02 0.00 0.00 41.12 37.41 1jbj n ASP 93 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1jbj s ASP 94 N -3.38 5.71 -0.27 -2.24 -4.77 -1.26 -4.95 116.67 105.52 1jbj s ASP 94 Ca 0.00 1.45 -0.09 0.00 -3.30 0.00 0.00 52.55 50.61 1jbj s ASP 94 Cb 0.00 -2.39 0.12 0.00 -1.09 0.00 0.00 42.92 39.56 1jbj s ASP 94 CO 0.00 -1.21 0.57 0.00 0.70 0.00 0.00 175.17 175.24 1jbj s ALA 95 N -3.15 -1.75 0.10 2.11 0.00 -1.26 -5.16 121.76 112.65 1jbj s ALA 95 Ca 0.57 2.07 0.01 0.00 0.00 0.00 0.00 51.96 54.61 1jbj s ALA 95 Cb -0.12 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.38 1jbj s ALA 95 CO 0.54 -0.87 0.07 1.63 0.00 0.00 0.00 175.76 177.14 1jbj n LYS 96 N 5.43 1.35 -3.35 0.00 5.02 -1.26 -5.15 118.16 120.20 1jbj n LYS 96 Ca -0.11 -0.64 0.02 0.00 -2.02 0.00 0.00 58.31 55.56 1jbj n LYS 96 Cb 0.49 0.07 -0.03 0.00 -0.02 0.00 0.00 35.03 35.54 1jbj n LYS 96 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jbj s LYS 97 N -2.42 0.37 -0.02 1.97 2.20 -1.26 -5.16 119.74 115.41 1jbj s LYS 97 Ca 0.06 0.82 0.07 0.00 -0.36 0.00 0.00 55.97 56.55 1jbj s LYS 97 Cb -0.00 0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 36.78 1jbj s LYS 97 CO 0.04 -0.23 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.07 1jbj s ASP 98 N 2.70 2.62 -0.38 1.43 1.11 -1.26 -4.90 116.67 118.00 1jbj s ASP 98 Ca 0.01 -0.41 -0.09 0.00 0.18 0.00 0.00 52.55 52.24 1jbj s ASP 98 Cb -0.09 -0.36 0.01 0.00 1.07 0.00 0.00 42.92 43.54 1jbj s ASP 98 CO -0.17 0.26 0.34 0.47 1.18 0.00 0.00 175.17 177.25 1jbj n ASP 99 N 2.61 -8.01 -0.03 0.27 9.92 -1.26 -4.99 116.55 115.07 1jbj n ASP 99 Ca -0.16 0.93 0.00 0.00 -0.53 0.00 0.00 54.79 55.04 1jbj n ASP 99 Cb 0.52 -5.39 -0.09 0.00 -0.64 0.00 0.00 41.12 35.52 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbj n ALA 100 N 0.14 2.09 -2.53 2.24 0.00 -1.26 -5.08 120.51 116.12 1jbj n ALA 100 Ca 0.07 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 1jbj n ALA 100 Cb 0.26 -0.20 0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.16 -1.82 -0.05 0.00 5.02 -1.26 -4.99 118.16 112.91 1jbj n LYS 101 Ca -0.10 1.74 -0.15 0.00 -2.02 0.00 0.00 58.31 57.78 1jbj n LYS 101 Cb 0.58 -4.69 -0.13 0.00 -0.02 0.00 0.00 35.03 30.78 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 1.52 0.06 -0.93 1.97 3.11 -1.98 -3.33 116.57 116.99 1jbj h LYS 102 Ca 0.00 -0.08 -0.49 0.00 -2.81 0.00 0.00 60.65 57.26 1jbj h LYS 102 Cb 0.76 0.03 -0.29 0.00 -1.00 0.00 0.00 32.23 31.73 1jbj h LYS 102 CO 0.15 0.98 0.59 -0.25 -2.81 0.00 0.00 179.45 178.11 1jbj n ASP 103 N -4.56 3.86 -1.96 4.20 9.92 -1.26 -4.88 116.55 121.86 1jbj n ASP 103 Ca -0.10 -3.64 -0.16 0.00 -0.53 0.00 0.00 54.79 50.36 1jbj n ASP 103 Cb 0.50 -0.83 -0.04 0.00 -0.64 0.00 0.00 41.12 40.12 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 104 N -1.13 0.44 3.62 0.44 0.00 -1.25 -4.95 105.19 102.36 1jbj n GLY 104 Ca 0.57 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.17 4.49 -0.35 1.61 0.01 -1.26 -5.08 113.70 110.95 1jbj s SER 105 Ca 0.00 -0.56 -0.29 0.00 1.31 0.00 0.00 55.95 56.41 1jbj s SER 105 Cb 0.00 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1jbj s SER 105 CO 0.00 0.06 1.40 -1.10 0.41 0.00 0.00 173.24 174.01 1jbj s GLN 106 N -3.18 3.71 -1.49 12.44 1.11 -1.26 -3.64 119.66 127.36 1jbj s GLN 106 Ca 0.28 1.12 -0.01 0.00 0.01 0.00 0.00 55.36 56.76 1jbj s GLN 106 Cb -0.08 -3.98 0.01 0.00 -1.01 0.00 0.00 33.01 27.96 1jbj s GLN 106 CO 0.18 -1.38 0.26 -2.37 0.01 0.00 0.00 175.29 171.99 1jbj n THR 107 N 6.70 -2.08 0.00 -0.19 5.66 -1.26 -3.60 114.28 119.52 1jbj n THR 107 Ca 0.16 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1jbj n THR 107 Cb 0.47 -1.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.36 1jbj n THR 107 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1jbj n ASN 108 N -2.93 0.00 -3.15 1.09 4.13 -1.24 -4.11 115.26 109.06 1jbj n ASN 108 Ca -0.30 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.02 1jbj n ASN 108 Cb 0.68 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.92 1jbj n ASN 108 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1jbj s LYS 109 N 0.00 0.08 -0.07 3.52 2.20 -1.24 -4.80 119.74 119.43 1jbj s LYS 109 Ca 0.00 0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1jbj s LYS 109 Cb 0.00 0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.38 1jbj s LYS 109 CO 0.00 -0.13 -0.12 0.00 -0.36 0.00 0.00 175.35 174.74 1jbj s ALA 110 N 2.98 1.32 -0.06 3.13 0.00 -1.26 -5.13 121.76 122.74 1jbj s ALA 110 Ca 0.20 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.39 1jbj s ALA 110 Cb -0.03 -0.62 0.07 0.00 0.00 0.00 0.00 23.12 22.54 1jbj s ALA 110 CO -0.19 0.06 0.69 -1.59 0.00 0.00 0.00 175.76 174.73 1jbj s LYS 111 N 0.78 1.04 -0.94 0.00 -2.85 -1.26 -4.97 119.74 111.53 1jbj s LYS 111 Ca -0.12 0.28 -0.00 0.00 -1.00 0.00 0.00 55.97 55.12 1jbj s LYS 111 Cb -0.15 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1jbj s LYS 111 CO 0.02 -0.32 0.78 0.09 0.10 0.00 0.00 175.35 176.03 1jbj n ASN 112 N 0.95 -2.20 -4.29 0.03 4.13 -1.26 -5.04 115.26 107.60 1jbj n ASN 112 Ca -0.19 -0.48 -0.24 0.00 1.68 0.00 0.00 54.58 55.35 1jbj n ASN 112 Cb 0.57 -4.10 -0.13 0.00 -1.54 0.00 0.00 39.78 34.59 1jbj n ASN 112 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1jbj s LEU 113 N -5.42 2.29 0.00 3.41 1.02 -1.26 -5.10 118.68 113.63 1jbj s LEU 113 Ca 0.02 -0.68 -0.11 0.00 0.02 0.00 0.00 54.13 53.39 1jbj s LEU 113 Cb -0.01 -0.90 -0.05 0.00 0.02 0.00 0.00 46.19 45.25 1jbj s LEU 113 CO 0.57 0.07 0.34 0.54 0.02 0.00 0.00 176.35 177.89 1jbj s VAL 114 N -1.13 5.16 0.04 -1.59 0.11 -1.26 -4.88 120.40 116.85 1jbj s VAL 114 Ca 0.07 0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 59.66 1jbj s VAL 114 Cb -0.10 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 1jbj s VAL 114 CO 0.04 0.48 -0.03 -1.10 -3.33 0.00 0.00 175.10 171.16 1jbj s GLN 115 N -1.37 0.52 0.00 1.54 -0.21 -1.15 -5.05 119.66 113.95 1jbj s GLN 115 Ca 0.25 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.60 1jbj s GLN 115 Cb -0.15 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.03 1jbj s GLN 115 CO 0.13 -0.09 -0.03 0.14 -2.12 0.00 0.00 175.29 173.32 1jbj s VAL 116 N -3.18 0.24 0.40 1.09 -7.23 -1.26 0.10 120.40 110.56 1jbj s VAL 116 Ca 0.00 -0.29 -0.06 0.00 -1.81 0.00 0.00 61.98 59.82 1jbj s VAL 116 Cb 0.03 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.68 1jbj s VAL 116 CO -0.07 -0.04 0.69 -0.62 -0.31 0.00 0.00 175.10 174.75 1jbj s ASP 117 N -0.35 6.38 0.00 4.85 2.15 0.36 -4.86 116.67 125.19 1jbj s ASP 117 Ca -0.02 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.83 1jbj s ASP 117 Cb -0.03 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1jbj s ASP 117 CO -0.00 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 1jbj n GLY 118 N -1.63 0.01 3.30 2.66 0.00 -1.25 -1.99 105.19 106.28 1jbj n GLY 118 Ca -0.00 -0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.05 6.65 -0.14 1.61 0.01 -1.26 -3.52 113.70 114.00 1jbj s SER 119 Ca 0.00 -2.90 0.17 0.00 1.31 0.00 0.00 55.95 54.53 1jbj s SER 119 Cb 0.00 -2.16 0.71 0.00 0.21 0.00 0.00 66.02 64.79 1jbj s SER 119 CO 0.00 -0.49 1.63 0.54 0.41 0.00 0.00 173.24 175.33 1jbj n ARG 120 N 3.64 3.90 0.00 12.44 5.12 -1.25 -4.94 116.66 135.57 1jbj n ARG 120 Ca 0.15 -2.92 0.00 0.00 -1.93 0.00 0.00 57.85 53.15 1jbj n ARG 120 Cb 0.44 -1.95 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 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 0.86 2.95 0.05 -0.13 0.00 -1.26 -4.62 105.19 103.04 1jbj n GLY 121 Ca 0.25 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 1.79 0.31 0.00 1.61 8.00 -1.26 -4.98 116.55 122.02 1jbj n ASP 122 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1jbj n ASP 122 Cb 0.00 1.40 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 123 N 1.25 1.28 3.90 0.44 0.00 -1.26 -5.05 105.19 105.75 1jbj n GLY 123 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 6.44 -0.20 1.61 0.01 -1.23 -2.21 113.70 116.12 1jbj s SER 124 Ca 0.00 0.47 -0.08 0.00 1.31 0.00 0.00 55.95 57.64 1jbj s SER 124 Cb 0.00 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1jbj s SER 124 CO 0.00 0.22 0.09 -0.69 0.41 0.00 0.00 173.24 173.28 1jbj s VAL 125 N -1.37 4.97 -0.32 3.43 1.01 0.17 -3.81 120.40 124.48 1jbj s VAL 125 Ca 0.30 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1jbj s VAL 125 Cb -0.13 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 33.07 1jbj s VAL 125 CO 0.19 0.42 0.01 -0.76 0.00 0.00 0.00 175.10 174.97 1jbj s LEU 126 N 0.60 4.38 -0.26 3.92 1.02 -0.84 -2.23 118.68 125.27 1jbj s LEU 126 Ca 0.05 -1.96 -0.29 0.00 0.02 0.00 0.00 54.13 51.95 1jbj s LEU 126 Cb -0.13 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.50 1jbj s LEU 126 CO 0.01 -0.34 1.23 -0.22 0.02 0.00 0.00 176.35 177.05 1jbj s LEU 127 N 0.97 4.00 -0.09 1.79 0.20 -0.19 0.13 118.68 125.50 1jbj s LEU 127 Ca 0.06 1.34 -0.05 0.00 0.69 0.00 0.00 54.13 56.17 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 -0.08 -0.92 0.13 0.42 -0.29 0.00 0.00 176.35 175.62 1jbj s THR 128 N 3.89 5.37 0.00 3.68 -4.23 0.28 0.19 115.64 124.82 1jbj s THR 128 Ca 0.53 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1jbj s THR 128 Cb -0.17 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1jbj s THR 128 CO 0.18 0.55 0.00 0.00 -0.54 0.00 0.00 174.62 174.81 1jbj n GLY 130 N 0.00 0.91 4.00 0.00 0.00 -1.26 -3.18 105.19 105.66 1jbj n GLY 130 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.17 -0.70 -2.20 0.99 -0.00 -1.26 0.13 117.00 112.79 1jbj n LEU 131 Ca -0.10 -1.06 -0.09 0.00 -0.00 0.00 0.00 56.01 54.76 1jbj n LEU 131 Cb 0.51 -1.31 -0.01 0.00 -0.00 0.00 0.00 43.42 42.61 1jbj n LEU 131 CO 0.15 0.43 -0.11 0.35 -0.00 0.00 0.00 177.39 178.20 1jbj n THR 132 N -4.01 -0.35 -2.55 1.47 -2.24 -1.19 -4.90 114.28 100.51 1jbj n THR 132 Ca -0.25 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1jbj n THR 132 Cb 0.56 -1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 1jbj n THR 132 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jbj s ASP 133 N -1.97 6.42 0.02 3.42 -1.08 0.35 -4.90 116.67 118.94 1jbj s ASP 133 Ca 0.00 1.87 0.08 0.00 -0.52 0.00 0.00 52.55 53.98 1jbj s ASP 133 Cb 0.00 -2.55 0.34 0.00 -1.46 0.00 0.00 42.92 39.24 1jbj s ASP 133 CO 0.00 -0.73 1.24 2.29 0.52 0.00 0.00 175.17 178.49 1jbj n LYS 134 N -1.00 0.01 -4.13 4.34 2.85 -1.26 -4.41 118.16 114.56 1jbj n LYS 134 Ca 0.09 0.40 -0.22 0.00 -1.05 0.00 0.00 58.31 57.53 1jbj n LYS 134 Cb 0.53 -1.53 -0.17 0.00 -0.65 0.00 0.00 35.03 33.21 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jbj s THR 135 N -3.04 0.64 -0.08 0.58 2.01 -1.26 -5.05 115.64 109.43 1jbj s THR 135 Ca 0.03 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 1jbj s THR 135 Cb 0.04 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.92 1jbj s THR 135 CO 0.13 0.26 0.19 -0.63 -0.69 0.00 0.00 174.62 173.88 1jbj s ILE 136 N 1.13 -0.03 -0.20 1.82 1.01 -1.25 -3.13 121.20 120.55 1jbj s ILE 136 Ca -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 1jbj s ILE 136 Cb -0.14 -0.29 0.07 0.00 0.01 0.00 0.00 42.46 42.11 1jbj s ILE 136 CO -0.01 0.04 0.09 -0.54 0.00 0.00 0.00 174.94 174.52 1jbj s LYS 137 N 0.81 0.17 0.17 2.79 1.02 -0.68 -4.93 119.74 119.09 1jbj s LYS 137 Ca -0.06 -0.23 -0.16 0.00 0.02 0.00 0.00 55.97 55.54 1jbj s LYS 137 Cb -0.07 -1.74 -0.07 0.00 -0.52 0.00 0.00 37.83 35.43 1jbj s LYS 137 CO -0.05 -0.74 0.60 -0.46 -0.92 0.00 0.00 175.35 173.78 1jbj s TRP 138 N 2.09 3.62 0.25 3.18 -0.11 -1.26 -0.81 118.94 125.89 1jbj s TRP 138 Ca 0.03 1.15 0.07 0.00 1.22 0.00 0.00 56.10 58.57 1jbj s TRP 138 Cb -0.16 -2.44 -0.05 0.00 -1.50 0.00 0.00 33.47 29.32 1jbj s TRP 138 CO -0.15 0.40 -0.08 -0.51 -4.62 0.00 0.00 176.95 171.99 1jbj s LEU 139 N -1.96 2.49 -0.09 5.86 1.02 0.99 -2.47 118.68 124.51 1jbj s LEU 139 Ca 0.39 -1.14 -0.03 0.00 0.02 0.00 0.00 54.13 53.37 1jbj s LEU 139 Cb -0.15 -0.63 0.05 0.00 0.02 0.00 0.00 46.19 45.47 1jbj s LEU 139 CO 0.20 -0.29 0.15 -1.59 0.02 0.00 0.00 176.35 174.84 1jbj s LYS 140 N -3.71 0.04 -1.68 1.70 0.00 0.21 -2.24 119.74 114.06 1jbj s LYS 140 Ca 0.27 0.50 -0.02 0.00 0.00 0.00 0.00 55.97 56.72 1jbj s LYS 140 Cb 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 37.83 37.44 1jbj s LYS 140 CO 0.10 -0.35 0.20 -0.25 0.00 0.00 0.00 175.35 175.06 1jbj n ASP 141 N 5.32 -5.90 0.00 0.03 9.92 -1.26 -1.16 116.55 123.51 1jbj n ASP 141 Ca -0.05 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1jbj n ASP 141 Cb 0.50 -4.86 0.00 0.00 -0.64 0.00 0.00 41.12 36.12 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 -1.18 0.47 3.38 0.44 0.00 -1.26 -5.05 105.19 102.00 1jbj n GLY 142 Ca -0.20 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.64 2.95 -0.14 1.61 0.15 -0.30 -5.12 113.70 110.20 1jbj s SER 143 Ca 0.00 -0.96 -0.25 0.00 0.70 0.00 0.00 55.95 55.44 1jbj s SER 143 Cb 0.00 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1jbj s SER 143 CO 0.00 -0.05 0.79 -0.63 1.20 0.00 0.00 173.24 174.56 1jbj s ILE 144 N -2.45 4.93 -0.23 6.45 1.09 -1.26 0.66 121.20 130.38 1jbj s ILE 144 Ca 0.22 1.57 -0.04 0.00 -1.10 0.00 0.00 60.65 61.31 1jbj s ILE 144 Cb -0.04 -4.11 0.08 0.00 -1.06 0.00 0.00 42.46 37.33 1jbj s ILE 144 CO 0.09 0.09 0.10 -0.51 -0.10 0.00 0.00 174.94 174.61 1jbj s ILE 145 N 1.79 0.08 0.19 2.92 2.07 -1.03 -4.89 121.20 122.32 1jbj s ILE 145 Ca 0.38 -0.55 0.10 0.00 -1.41 0.00 0.00 60.65 59.17 1jbj s ILE 145 Cb -0.17 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 1jbj s ILE 145 CO 0.14 -0.48 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.12 1jbj s SER 146 N 2.05 4.06 0.95 4.50 0.01 -1.26 -4.43 113.70 119.57 1jbj s SER 146 Ca 0.05 -0.66 -0.14 0.00 1.31 0.00 0.00 55.95 56.51 1jbj s SER 146 Cb -0.16 -0.61 0.17 0.00 0.21 0.00 0.00 66.02 65.63 1jbj s SER 146 CO -0.21 0.10 1.17 -2.16 0.41 0.00 0.00 173.24 172.55 1jbj s PRO 147 N -2.83 0.77 -0.29 12.44 0.04 -1.26 -5.05 135.00 138.82 1jbj s PRO 147 Ca 0.24 0.11 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 1jbj s PRO 147 Cb -0.08 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.70 1jbj s PRO 147 CO 0.14 -2.41 -0.02 -1.17 0.04 0.00 0.00 177.00 173.58 1jbj s LEU 148 N -6.11 3.82 -1.05 -3.56 1.98 -1.26 -4.61 118.68 107.89 1jbj s LEU 148 Ca 0.66 -1.32 -0.01 0.00 -2.89 0.00 0.00 54.13 50.57 1jbj s LEU 148 Cb -0.12 -1.68 0.00 0.00 0.66 0.00 0.00 46.19 45.06 1jbj s LEU 148 CO 0.53 -0.25 0.18 0.59 -1.89 0.00 0.00 176.35 175.51 1jbj n ASN 149 N 4.58 -4.23 -3.79 3.68 3.02 -1.26 -5.02 115.26 112.24 1jbj n ASN 149 Ca -0.13 -0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.20 1jbj n ASN 149 Cb 0.43 -3.27 -0.13 0.00 -0.61 0.00 0.00 39.78 36.20 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jbj s ALA 150 N -2.78 -0.44 -0.38 5.41 0.00 -1.26 -5.06 121.76 117.25 1jbj s ALA 150 Ca 0.09 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.73 1jbj s ALA 150 Cb -0.04 -0.37 0.30 0.00 0.00 0.00 0.00 23.12 23.01 1jbj s ALA 150 CO 0.11 -0.11 1.26 -2.37 0.00 0.00 0.00 175.76 174.65 1jbj n THR 151 N 3.36 0.00 -1.47 0.00 5.66 -1.26 -4.65 114.28 115.92 1jbj n THR 151 Ca -0.17 -1.26 -0.31 0.00 -3.05 0.00 0.00 64.05 59.27 1jbj n THR 151 Cb 0.57 0.95 0.02 0.00 -1.55 0.00 0.00 70.33 70.31 1jbj n THR 151 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1jbj n LYS 152 N -0.44 2.45 -1.51 1.09 5.02 -1.26 -4.76 118.16 118.75 1jbj n LYS 152 Ca -0.08 -2.74 -0.13 0.00 -2.02 0.00 0.00 58.31 53.33 1jbj n LYS 152 Cb 0.78 -2.11 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1jbj n LYS 152 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1jbj n ASN 153 N -0.02 -3.60 -4.68 4.39 0.23 -1.26 -4.91 115.26 105.40 1jbj n ASN 153 Ca 0.50 0.31 -0.29 0.00 -0.53 0.00 0.00 54.58 54.57 1jbj n ASN 153 Cb 0.49 -3.32 -0.09 0.00 -2.08 0.00 0.00 39.78 34.77 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 -2.20 1.76 -0.02 5.53 -4.23 -1.26 -2.09 115.64 113.14 1jbj s THR 154 Ca 0.00 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1jbj s THR 154 Cb 0.00 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.12 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 -2.75 0.65 -0.66 3.99 -0.00 0.51 -4.85 118.94 115.82 1jbj s TRP 155 Ca 0.26 -0.14 -0.27 0.00 -0.00 0.00 0.00 56.10 55.96 1jbj s TRP 155 Cb 0.07 -0.48 0.03 0.00 -0.00 0.00 0.00 33.47 33.09 1jbj s TRP 155 CO 0.14 -0.07 1.19 1.21 -0.00 0.00 0.00 176.95 179.42 1jbj s ASN 156 N 0.19 6.28 -0.18 5.86 3.04 -1.26 -1.02 114.94 127.85 1jbj s ASN 156 Ca -0.02 -0.29 -0.10 0.00 0.04 0.00 0.00 52.86 52.49 1jbj s ASN 156 Cb -0.07 -2.53 -0.21 0.00 -1.54 0.00 0.00 41.25 36.90 1jbj s ASN 156 CO -0.00 -1.62 0.16 0.18 -3.04 0.00 0.00 177.10 172.78 1jbj n LEU 157 N 8.71 2.41 0.00 3.21 4.77 -0.95 -5.01 117.00 130.15 1jbj n LEU 157 Ca 0.04 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1jbj n LEU 157 Cb 0.49 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1jbj n LEU 157 CO 0.70 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1jbj n GLY 158 N 1.81 0.61 3.53 -0.72 0.00 -1.25 -4.19 105.19 104.98 1jbj n GLY 158 Ca -0.37 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 6.13 0.53 1.61 3.84 -1.26 0.45 114.94 122.24 1jbj s ASN 159 Ca 0.00 -0.39 0.41 0.00 0.21 0.00 0.00 52.86 53.09 1jbj s ASN 159 Cb 0.00 -2.17 1.60 0.00 -0.55 0.00 0.00 41.25 40.13 1jbj s ASN 159 CO 0.00 -0.32 1.68 -0.55 -2.79 0.00 0.00 177.10 175.12 1jbj h ASN 160 N 8.50 0.05 -0.39 -4.21 7.08 -1.75 1.24 115.58 126.10 1jbj h ASN 160 Ca -0.30 0.02 -0.05 0.00 -3.08 0.00 0.00 56.30 52.89 1jbj h ASN 160 Cb 1.15 0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 37.38 1jbj h ASN 160 CO 0.68 -0.02 0.08 0.00 -2.08 0.00 0.00 177.43 176.09 1jbj h ALA 161 N 1.26 1.27 -0.31 4.14 0.00 -1.93 -3.35 119.26 120.35 1jbj h ALA 161 Ca 0.76 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 55.20 1jbj h ALA 161 Cb 2.95 -0.19 -0.19 0.00 0.00 0.00 0.00 17.79 20.36 1jbj h ALA 161 CO -0.07 0.50 -0.56 1.17 0.00 0.00 0.00 179.25 180.29 1jbj n LYS 162 N -4.28 0.99 -4.14 0.00 4.81 0.35 -4.76 118.16 111.14 1jbj n LYS 162 Ca 0.03 -2.14 -0.31 0.00 -0.87 0.00 0.00 58.31 55.02 1jbj n LYS 162 Cb 0.23 -1.16 -0.08 0.00 0.02 0.00 0.00 35.03 34.05 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 -1.46 5.22 1.12 3.14 -4.77 0.28 -4.52 116.67 115.67 1jbj s ASP 163 Ca 0.25 -0.08 -0.15 0.00 -3.30 0.00 0.00 52.55 49.27 1jbj s ASP 163 Cb 0.29 -1.33 0.18 0.00 -1.09 0.00 0.00 42.92 40.98 1jbj s ASP 163 CO -0.07 0.20 0.55 -2.65 0.70 0.00 0.00 175.17 173.91 1jbj n PRO 164 N 0.73 -1.82 -3.82 2.11 -0.02 -1.26 -4.71 135.00 126.21 1jbj n PRO 164 Ca -0.11 -0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 60.77 1jbj n PRO 164 Cb 0.52 -1.96 -0.08 0.00 -0.02 0.00 0.00 33.50 31.96 1jbj n PRO 164 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1jbj s ARG 165 N -3.95 0.78 0.00 -0.52 1.04 -1.26 -4.67 118.95 110.36 1jbj s ARG 165 Ca 0.62 -0.71 0.00 0.00 -1.04 0.00 0.00 55.73 54.60 1jbj s ARG 165 Cb -0.19 0.32 0.00 0.00 -2.04 0.00 0.00 34.95 33.04 1jbj s ARG 165 CO 0.65 -0.24 0.00 0.41 -0.04 0.00 0.00 175.30 176.08 1jbj n GLY 166 N 0.39 -0.46 3.59 3.88 0.00 -0.96 -5.00 105.19 106.63 1jbj n GLY 166 Ca -0.17 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.96 3.95 -0.06 2.61 -4.23 -1.25 -0.84 115.64 111.86 1jbj s THR 167 Ca 0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1jbj s THR 167 Cb 0.00 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1jbj s THR 167 CO 0.00 0.57 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.31 1jbj s TYR 168 N -0.47 0.76 -0.08 3.99 1.51 -0.47 -4.07 117.35 118.52 1jbj s TYR 168 Ca 0.08 -0.22 -0.05 0.00 -1.01 0.00 0.00 57.07 55.86 1jbj s TYR 168 Cb -0.12 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1jbj s TYR 168 CO 0.02 -0.25 0.12 -0.65 -1.11 0.00 0.00 175.55 173.68 1jbj s GLN 169 N 1.30 3.33 -0.01 -0.62 1.11 -0.95 0.12 119.66 123.94 1jbj s GLN 169 Ca -0.05 -0.25 0.05 0.00 0.01 0.00 0.00 55.36 55.12 1jbj s GLN 169 Cb -0.14 -3.08 -0.03 0.00 -1.01 0.00 0.00 33.01 28.76 1jbj s GLN 169 CO -0.02 0.73 -0.14 0.00 0.01 0.00 0.00 175.29 175.88 1jbj s GLN 171 N -1.13 2.13 0.26 0.00 -0.44 0.01 0.67 119.66 121.17 1jbj s GLN 171 Ca 0.14 -1.42 0.04 0.00 -2.50 0.00 0.00 55.36 51.62 1jbj s GLN 171 Cb -0.11 -2.94 -0.03 0.00 -1.64 0.00 0.00 33.01 28.29 1jbj s GLN 171 CO 0.04 -0.62 0.39 0.20 0.50 0.00 0.00 175.29 175.80 1jbj s GLY 172 N 1.08 1.24 0.05 2.59 0.00 0.32 -1.68 107.32 110.92 1jbj s GLY 172 Ca -0.06 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.37 1jbj s GLY 172 CO -0.05 -1.19 0.49 0.00 0.00 0.00 0.00 173.10 172.35 1jbj n ALA 173 N -1.48 -0.19 -1.07 3.20 0.00 -1.18 -1.91 120.51 117.88 1jbj n ALA 173 Ca -0.08 0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.65 1jbj n ALA 173 Cb 0.57 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -4.41 0.71 -3.71 0.00 3.00 -1.26 -5.02 118.16 107.47 1jbj n LYS 174 Ca 0.01 -1.04 -0.25 0.00 -0.00 0.00 0.00 58.31 57.03 1jbj n LYS 174 Cb 0.09 -0.70 -0.17 0.00 0.00 0.00 0.00 35.03 34.24 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 -0.50 0.41 -0.33 1.64 8.01 -0.80 -5.12 118.70 122.02 1jbj s GLU 175 Ca 0.03 -0.07 -0.11 0.00 0.01 0.00 0.00 54.97 54.84 1jbj s GLU 175 Cb 0.03 -1.46 -0.00 0.00 -4.31 0.00 0.00 34.13 28.38 1jbj s GLU 175 CO 0.00 -0.49 0.18 0.99 0.01 0.00 0.00 175.26 175.95 1jbj s THR 176 N 2.00 4.74 0.66 3.63 2.01 -1.26 0.12 115.64 127.54 1jbj s THR 176 Ca 0.02 -0.48 -0.15 0.00 0.31 0.00 0.00 61.69 61.39 1jbj s THR 176 Cb -0.15 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 1jbj s THR 176 CO -0.07 -0.02 1.11 -0.44 -0.69 0.00 0.00 174.62 174.51 1jbj s SER 177 N 1.62 5.11 0.54 3.53 0.01 0.21 -4.91 113.70 119.82 1jbj s SER 177 Ca 0.04 1.99 -0.09 0.00 1.31 0.00 0.00 55.95 59.20 1jbj s SER 177 Cb -0.18 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 1jbj s SER 177 CO 0.07 -1.63 0.92 0.54 0.41 0.00 0.00 173.24 173.55 1jbj s ASN 178 N -2.60 6.30 -0.33 2.44 2.20 -1.26 -2.92 114.94 118.77 1jbj s ASN 178 Ca 0.67 1.24 -0.33 0.00 -0.94 0.00 0.00 52.86 53.49 1jbj s ASN 178 Cb -0.20 -2.38 -0.10 0.00 -2.00 0.00 0.00 41.25 36.56 1jbj s ASN 178 CO 0.42 -0.70 2.21 -0.81 -2.94 0.00 0.00 177.10 175.28 1jbj n PRO 179 N -2.35 1.26 -2.66 3.55 -0.04 -1.25 -4.51 135.00 129.00 1jbj n PRO 179 Ca 0.04 0.34 -0.43 0.00 -0.04 0.00 0.00 63.50 63.41 1jbj n PRO 179 Cb 0.54 -2.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.33 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jbj s LEU 180 N 7.70 4.19 -0.93 1.53 2.96 0.33 -4.56 118.68 129.89 1jbj s LEU 180 Ca 1.08 1.49 -0.21 0.00 -0.22 0.00 0.00 54.13 56.26 1jbj s LEU 180 Cb -0.73 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 42.51 1jbj s LEU 180 CO 0.45 -0.55 1.23 -1.10 -1.32 0.00 0.00 176.35 175.06 1jbj s GLN 181 N 2.52 3.54 -0.58 1.98 1.11 -1.19 -1.37 119.66 125.67 1jbj s GLN 181 Ca 0.47 -1.41 -0.20 0.00 0.01 0.00 0.00 55.36 54.23 1jbj s GLN 181 Cb -0.17 -4.98 0.08 0.00 -1.01 0.00 0.00 33.01 26.93 1jbj s GLN 181 CO 0.13 -1.94 0.75 0.08 0.01 0.00 0.00 175.29 174.33 1jbj s VAL 182 N 3.70 4.70 -0.23 1.09 1.01 -0.02 -1.66 120.40 128.98 1jbj s VAL 182 Ca 0.36 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 1jbj s VAL 182 Cb -0.04 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1jbj s VAL 182 CO -0.07 -1.10 0.10 -0.47 0.00 0.00 0.00 175.10 173.56 1jbj s TYR 183 N 3.05 3.19 0.41 5.22 6.14 -0.86 -2.26 117.35 132.24 1jbj s TYR 183 Ca 0.16 -0.08 0.04 0.00 0.64 0.00 0.00 57.07 57.83 1jbj s TYR 183 Cb -0.20 -2.22 -0.04 0.00 0.42 0.00 0.00 41.96 39.91 1jbj s TYR 183 CO 0.10 -0.11 0.06 0.71 0.64 0.00 0.00 175.55 176.94 1jbj s TYR 184 N 1.19 2.00 0.29 4.97 2.02 -1.25 -1.73 117.35 124.84 1jbj s TYR 184 Ca 0.05 -0.99 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 1jbj s TYR 184 Cb -0.14 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1jbj s TYR 184 CO 0.04 0.06 0.00 -2.13 -1.57 0.00 0.00 175.55 171.95 1jbj n ARG 185 N -0.94 -2.53 0.00 -0.62 0.00 -1.24 -4.96 116.66 106.37 1jbj n ARG 185 Ca -0.08 1.67 0.12 0.00 -0.00 0.00 0.00 57.85 59.56 1jbj n ARG 185 Cb 0.66 -3.09 0.69 0.00 0.00 0.00 0.00 32.46 30.73 1jbj n ARG 185 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30