#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj s ASP 2 N 0.00 6.26 0.39 -2.24 1.01 -1.26 -4.90 116.67 115.92 1jbj s ASP 2 Ca 0.00 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 52.75 1jbj s ASP 2 Cb 0.00 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1jbj s ASP 2 CO 0.00 -1.49 0.00 0.00 0.21 0.00 0.00 175.17 173.89 1jbj n ALA 3 N 8.19 -3.49 -1.71 5.23 0.00 -1.26 -4.73 120.51 122.75 1jbj n ALA 3 Ca 0.01 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1jbj n ALA 3 Cb 0.47 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1jbj n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jbj n GLU 4 N -4.10 2.20 -1.43 0.00 4.71 -1.26 -4.90 120.64 115.86 1jbj n GLU 4 Ca 0.01 0.77 -0.36 0.00 -0.01 0.00 0.00 57.16 57.57 1jbj n GLU 4 Cb 0.61 -2.37 0.07 0.00 -1.01 0.00 0.00 31.44 28.74 1jbj n GLU 4 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1jbj n ASN 5 N 0.80 7.66 -4.71 1.62 2.85 -1.26 -4.96 115.26 117.26 1jbj n ASN 5 Ca 0.05 -3.80 -0.30 0.00 -0.11 0.00 0.00 54.58 50.42 1jbj n ASN 5 Cb 0.36 -0.99 -0.09 0.00 1.24 0.00 0.00 39.78 40.31 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 -4.87 1.68 0.40 -1.44 -1.09 -1.26 -5.16 121.20 109.46 1jbj s ILE 6 Ca 0.63 -1.93 0.08 0.00 -2.23 0.00 0.00 60.65 57.19 1jbj s ILE 6 Cb 0.50 -2.61 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 1jbj s ILE 6 CO -0.07 0.00 0.17 -1.61 -1.23 0.00 0.00 174.94 172.20 1jbj s GLU 7 N -3.83 2.24 0.33 2.79 0.41 -1.26 -4.87 118.70 114.51 1jbj s GLU 7 Ca 0.24 -1.80 -0.27 0.00 -0.41 0.00 0.00 54.97 52.74 1jbj s GLU 7 Cb 0.05 -2.01 -0.13 0.00 -1.78 0.00 0.00 34.13 30.26 1jbj s GLU 7 CO 0.13 -0.08 0.94 0.98 -0.49 0.00 0.00 175.26 176.73 1jbj n TYR 8 N -1.22 0.98 -4.37 1.61 4.19 -1.26 -4.88 117.16 112.21 1jbj n TYR 8 Ca -0.01 0.67 -0.25 0.00 3.31 0.00 0.00 57.90 61.62 1jbj n TYR 8 Cb 0.64 -2.20 -0.12 0.00 0.49 0.00 0.00 39.34 38.15 1jbj n TYR 8 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1jbj s LYS 9 N -1.64 1.37 -0.06 2.98 2.20 -1.02 -4.92 119.74 118.64 1jbj s LYS 9 Ca 0.60 -1.42 -0.02 0.00 -0.36 0.00 0.00 55.97 54.77 1jbj s LYS 9 Cb -0.67 -1.62 0.04 0.00 -1.51 0.00 0.00 37.83 34.08 1jbj s LYS 9 CO 0.59 0.35 0.13 0.08 -0.36 0.00 0.00 175.35 176.14 1jbj s VAL 10 N -1.66 -0.06 -0.21 4.02 1.01 -1.26 -0.93 120.40 121.31 1jbj s VAL 10 Ca 0.16 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1jbj s VAL 10 Cb -0.08 -0.22 0.08 0.00 0.00 0.00 0.00 36.38 36.16 1jbj s VAL 10 CO 0.08 0.08 0.48 -0.55 0.00 0.00 0.00 175.10 175.19 1jbj s SER 11 N 1.25 -0.57 -0.22 3.32 0.15 -0.80 -4.97 113.70 111.85 1jbj s SER 11 Ca -0.08 1.08 -0.17 0.00 0.70 0.00 0.00 55.95 57.48 1jbj s SER 11 Cb -0.12 1.13 -0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1jbj s SER 11 CO -0.06 -0.21 0.44 -0.63 1.20 0.00 0.00 173.24 173.98 1jbj s ILE 12 N 1.84 5.15 -0.21 6.45 1.01 -1.26 -0.47 121.20 133.71 1jbj s ILE 12 Ca -0.07 0.77 0.01 0.00 0.00 0.00 0.00 60.65 61.36 1jbj s ILE 12 Cb -0.09 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1jbj s ILE 12 CO -0.14 0.19 -0.10 -0.44 0.00 0.00 0.00 174.94 174.44 1jbj s SER 13 N 1.25 3.64 -1.05 3.58 0.01 0.67 -4.85 113.70 116.95 1jbj s SER 13 Ca 0.20 -1.01 -0.17 0.00 1.31 0.00 0.00 55.95 56.28 1jbj s SER 13 Cb -0.15 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.78 1jbj s SER 13 CO 0.09 -0.16 0.73 0.61 0.41 0.00 0.00 173.24 174.92 1jbj n GLY 14 N 4.63 -1.06 2.86 3.44 0.00 -1.26 -0.38 105.19 113.43 1jbj n GLY 14 Ca -0.15 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.80 0.00 -4.32 2.61 -1.04 -1.26 -4.71 114.28 101.77 1jbj n THR 15 Ca -0.13 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.55 1jbj n THR 15 Cb 0.60 -0.83 -0.16 0.00 -1.82 0.00 0.00 70.33 68.11 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 3.17 0.27 8.00 0.01 0.49 0.13 113.70 123.77 1jbj s SER 16 Ca 0.00 -0.62 -0.12 0.00 1.31 0.00 0.00 55.95 56.52 1jbj s SER 16 Cb 0.00 -1.48 -0.08 0.00 0.21 0.00 0.00 66.02 64.67 1jbj s SER 16 CO 0.00 0.03 0.63 -0.69 0.41 0.00 0.00 173.24 173.62 1jbj s VAL 17 N 1.12 4.83 -0.19 3.43 1.01 0.31 0.24 120.40 131.15 1jbj s VAL 17 Ca 0.01 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1jbj s VAL 17 Cb -0.14 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.70 1jbj s VAL 17 CO -0.09 -0.13 0.15 -1.61 0.00 0.00 0.00 175.10 173.43 1jbj s GLU 18 N -2.91 0.13 0.10 2.72 8.01 0.38 0.20 118.70 127.33 1jbj s GLU 18 Ca 0.50 0.01 -0.02 0.00 0.01 0.00 0.00 54.97 55.47 1jbj s GLU 18 Cb -0.11 -1.50 -0.05 0.00 -4.31 0.00 0.00 34.13 28.17 1jbj s GLU 18 CO 0.20 -0.70 0.28 -0.51 0.01 0.00 0.00 175.26 174.54 1jbj s LEU 19 N 2.22 4.32 -0.22 1.80 1.43 0.28 -1.90 118.68 126.62 1jbj s LEU 19 Ca 0.05 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1jbj s LEU 19 Cb -0.16 -3.09 0.04 0.00 0.03 0.00 0.00 46.19 43.01 1jbj s LEU 19 CO -0.13 0.12 -0.15 -0.89 0.23 0.00 0.00 176.35 175.53 1jbj s THR 20 N -1.58 2.10 0.26 5.49 2.01 -0.10 -0.33 115.64 123.48 1jbj s THR 20 Ca 0.37 -1.29 -0.24 0.00 0.31 0.00 0.00 61.69 60.85 1jbj s THR 20 Cb -0.13 -2.06 -0.09 0.00 0.01 0.00 0.00 72.50 70.23 1jbj s THR 20 CO 0.27 0.24 0.84 0.00 -0.69 0.00 0.00 174.62 175.28 1jbj n PRO 22 N 0.82 0.56 -4.58 0.00 -0.02 -1.26 -4.62 135.00 125.90 1jbj n PRO 22 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.14 1jbj n PRO 22 Cb 0.50 -1.22 -0.16 0.00 -0.02 0.00 0.00 33.50 32.60 1jbj n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jbj s LEU 23 N -1.45 2.19 1.06 2.45 1.43 -1.26 -4.70 118.68 118.41 1jbj s LEU 23 Ca 0.12 -0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 1jbj s LEU 23 Cb 0.05 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1jbj s LEU 23 CO 0.09 0.07 -0.49 0.47 0.23 0.00 0.00 176.35 176.72 1jbj n ASP 24 N 4.13 -2.63 -4.39 2.29 8.00 -1.26 -4.56 116.55 118.13 1jbj n ASP 24 Ca -0.20 -0.11 -0.45 0.00 0.71 0.00 0.00 54.79 54.74 1jbj n ASP 24 Cb 0.51 -0.77 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.55 6.38 0.50 -2.24 1.04 -1.26 -4.62 113.70 111.94 1jbj s SER 25 Ca 0.46 -1.77 0.01 0.00 0.48 0.00 0.00 55.95 55.12 1jbj s SER 25 Cb -0.03 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.79 1jbj s SER 25 CO 0.61 -1.02 0.72 -1.81 0.98 0.00 0.00 173.24 172.72 1jbj s ASP 26 N 3.37 5.58 0.00 7.02 1.11 -1.26 -4.87 116.67 127.62 1jbj s ASP 26 Ca 0.18 0.16 0.00 0.00 0.18 0.00 0.00 52.55 53.07 1jbj s ASP 26 Cb -0.17 -1.24 0.00 0.00 1.07 0.00 0.00 42.92 42.58 1jbj s ASP 26 CO 0.00 -0.90 0.96 -0.62 1.18 0.00 0.00 175.17 175.79 1jbj n GLU 27 N -2.21 0.85 -0.45 8.23 -0.58 -1.26 -2.36 120.64 122.86 1jbj n GLU 27 Ca 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.78 1jbj n GLU 27 Cb 0.59 -1.08 -0.01 0.00 -0.57 0.00 0.00 31.44 30.37 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jbj n ASN 28 N 0.72 -0.08 -4.74 1.62 3.02 -1.26 -5.09 115.26 109.45 1jbj n ASN 28 Ca 0.00 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.26 1jbj n ASN 28 Cb 0.42 0.02 -0.05 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 4.49 0.14 3.41 2.96 -0.99 -4.25 118.68 124.43 1jbj s LEU 29 Ca 0.00 1.69 0.09 0.00 -0.22 0.00 0.00 54.13 55.69 1jbj s LEU 29 Cb 0.00 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1jbj s LEU 29 CO 0.00 -0.03 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.05 1jbj s LYS 30 N -0.09 1.24 0.41 1.98 2.20 -0.90 -3.59 119.74 120.99 1jbj s LYS 30 Ca 0.44 -1.30 0.05 0.00 -0.36 0.00 0.00 55.97 54.79 1jbj s LYS 30 Cb -0.23 -1.46 -0.06 0.00 -1.51 0.00 0.00 37.83 34.58 1jbj s LYS 30 CO 0.28 0.32 0.03 -1.58 -0.36 0.00 0.00 175.35 174.04 1jbj s TRP 31 N -1.53 2.17 0.01 4.03 0.52 -1.15 -2.41 118.94 120.59 1jbj s TRP 31 Ca 0.12 -0.87 -0.21 0.00 0.02 0.00 0.00 56.10 55.16 1jbj s TRP 31 Cb -0.08 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.73 1jbj s TRP 31 CO 0.06 0.21 0.47 -2.00 0.02 0.00 0.00 176.95 175.71 1jbj s GLU 32 N -3.79 0.92 0.01 4.98 -6.30 0.59 -1.41 118.70 113.69 1jbj s GLU 32 Ca 0.28 -0.17 -0.04 0.00 -2.50 0.00 0.00 54.97 52.54 1jbj s GLU 32 Cb 0.07 0.42 -0.01 0.00 0.00 0.00 0.00 34.13 34.61 1jbj s GLU 32 CO 0.14 -0.30 0.05 -1.59 0.02 0.00 0.00 175.26 173.58 1jbj s LYS 33 N -1.96 0.39 0.00 4.30 0.00 -0.54 -2.20 119.74 119.73 1jbj s LYS 33 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 55.97 55.39 1jbj s LYS 33 Cb -0.02 0.15 0.00 0.00 0.00 0.00 0.00 37.83 37.97 1jbj s LYS 33 CO 0.02 -0.08 0.00 -1.71 0.00 0.00 0.00 175.35 173.58 1jbj n ASN 34 N 1.55 0.00 0.00 0.03 4.05 0.30 -1.44 115.26 119.76 1jbj n ASN 34 Ca -0.23 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.80 1jbj n ASN 34 Cb 0.55 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.56 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jbj n GLY 35 N 0.00 0.00 3.88 8.20 0.00 -1.26 -4.27 105.19 111.74 1jbj n GLY 35 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.72 3.76 0.15 1.61 -0.21 -0.52 -5.06 119.66 117.67 1jbj s GLN 36 Ca 0.00 0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.67 1jbj s GLN 36 Cb 0.00 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 1jbj s GLN 36 CO 0.00 0.14 0.33 -1.83 -2.12 0.00 0.00 175.29 171.81 1jbj s GLU 37 N -3.45 3.52 -0.37 2.91 4.04 -1.26 -1.46 118.70 122.63 1jbj s GLU 37 Ca 0.48 -0.32 -0.03 0.00 0.04 0.00 0.00 54.97 55.14 1jbj s GLU 37 Cb -0.11 -2.90 0.08 0.00 0.02 0.00 0.00 34.13 31.23 1jbj s GLU 37 CO 0.27 0.48 0.13 -0.51 -1.84 0.00 0.00 175.26 173.79 1jbj s LEU 38 N -2.95 4.71 0.93 1.83 1.43 -0.50 -4.89 118.68 119.23 1jbj s LEU 38 Ca 0.38 -1.67 -0.15 0.00 -1.03 0.00 0.00 54.13 51.67 1jbj s LEU 38 Cb -0.12 -1.80 0.18 0.00 0.03 0.00 0.00 46.19 44.48 1jbj s LEU 38 CO 0.28 -0.43 1.29 -2.16 0.23 0.00 0.00 176.35 175.55 1jbj s PRO 39 N 1.22 0.88 -1.77 1.29 0.04 -1.26 -2.92 135.00 132.47 1jbj s PRO 39 Ca 0.03 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1jbj s PRO 39 Cb -0.21 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1jbj s PRO 39 CO -0.02 -2.25 0.00 1.04 0.04 0.00 0.00 177.00 175.81 1jbj n GLN 40 N -3.66 -1.59 -3.08 4.56 3.00 -1.26 -4.89 117.38 110.47 1jbj n GLN 40 Ca 0.14 0.99 -0.44 0.00 -0.01 0.00 0.00 57.00 57.69 1jbj n GLN 40 Cb 0.60 -5.45 0.01 0.00 0.00 0.00 0.00 30.24 25.39 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 -2.51 4.19 -1.03 -1.09 3.00 -1.26 -4.85 118.16 114.61 1jbj n LYS 41 Ca -0.20 -4.49 -0.19 0.00 -0.00 0.00 0.00 58.31 53.43 1jbj n LYS 41 Cb 0.62 -2.54 0.01 0.00 0.00 0.00 0.00 35.03 33.12 1jbj n LYS 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jbj n HIS 42 N 1.82 1.50 -4.22 5.64 8.25 -1.24 -3.80 115.22 123.17 1jbj n HIS 42 Ca 0.26 -1.94 -0.21 0.00 -0.26 0.00 0.00 57.72 55.57 1jbj n HIS 42 Cb 0.35 -1.07 -0.12 0.00 1.12 0.00 0.00 29.99 30.27 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jbj s ASP 43 N 0.28 2.03 0.04 0.41 2.15 -1.26 -4.52 116.67 115.80 1jbj s ASP 43 Ca 0.38 -0.64 -0.05 0.00 0.43 0.00 0.00 52.55 52.67 1jbj s ASP 43 Cb 0.28 -0.09 -0.29 0.00 -0.30 0.00 0.00 42.92 42.52 1jbj s ASP 43 CO -0.05 -0.02 1.01 0.50 -0.17 0.00 0.00 175.17 176.44 1jbj h LYS 44 N 4.22 0.29 -4.49 4.34 3.64 -1.82 -3.43 116.57 119.32 1jbj h LYS 44 Ca -0.43 -0.49 -0.71 0.00 -1.27 0.00 0.00 60.65 57.75 1jbj h LYS 44 Cb 1.19 0.18 -0.28 0.00 -0.41 0.00 0.00 32.23 32.91 1jbj h LYS 44 CO 0.40 1.20 -0.49 -3.38 -2.27 0.00 0.00 179.45 174.91 1jbj s HIS 45 N -2.63 3.33 0.05 1.91 -3.43 -1.26 -0.27 115.29 112.99 1jbj s HIS 45 Ca -0.07 -1.49 -0.29 0.00 -0.80 0.00 0.00 55.06 52.41 1jbj s HIS 45 Cb 0.07 -2.85 -0.04 0.00 -1.43 0.00 0.00 32.58 28.33 1jbj s HIS 45 CO 0.88 -0.82 0.94 -1.17 -2.00 0.00 0.00 174.74 172.57 1jbj s LEU 46 N 1.43 4.43 0.04 5.38 2.96 0.55 -4.81 118.68 128.65 1jbj s LEU 46 Ca 0.03 1.68 0.04 0.00 -0.22 0.00 0.00 54.13 55.65 1jbj s LEU 46 Cb -0.22 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1jbj s LEU 46 CO 0.02 -0.15 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.16 1jbj s VAL 47 N 0.48 3.73 -0.42 1.68 1.01 -1.26 0.10 120.40 125.72 1jbj s VAL 47 Ca 0.48 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1jbj s VAL 47 Cb -0.22 -2.68 0.12 0.00 0.00 0.00 0.00 36.38 33.60 1jbj s VAL 47 CO 0.28 0.28 0.18 -0.76 0.00 0.00 0.00 175.10 175.08 1jbj s LEU 48 N -1.77 3.54 -0.30 3.92 1.43 0.54 -4.93 118.68 121.11 1jbj s LEU 48 Ca 0.20 -2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 50.53 1jbj s LEU 48 Cb -0.11 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1jbj s LEU 48 CO 0.11 -0.31 1.13 -1.10 0.23 0.00 0.00 176.35 176.42 1jbj s GLN 49 N 0.49 4.06 -0.18 1.70 -0.21 -1.26 0.11 119.66 124.37 1jbj s GLN 49 Ca 0.15 1.16 -0.01 0.00 0.02 0.00 0.00 55.36 56.68 1jbj s GLN 49 Cb -0.23 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.02 1jbj s GLN 49 CO -0.06 -0.92 0.18 -3.47 -2.12 0.00 0.00 175.29 168.90 1jbj n ASP 50 N 6.97 -3.52 -4.65 5.90 -0.08 0.35 -4.92 116.55 116.62 1jbj n ASP 50 Ca 0.13 0.01 -0.45 0.00 -1.51 0.00 0.00 54.79 52.97 1jbj n ASP 50 Cb 0.47 -2.13 -0.04 0.00 2.34 0.00 0.00 41.12 41.76 1jbj n ASP 50 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1jbj n PHE 51 N -1.06 2.32 -3.86 -0.67 -0.00 -1.16 -4.94 117.46 108.08 1jbj n PHE 51 Ca 0.01 -0.18 -0.33 0.00 -0.00 0.00 0.00 57.45 56.94 1jbj n PHE 51 Cb 0.43 -2.73 -0.12 0.00 -0.00 0.00 0.00 39.48 37.05 1jbj n PHE 51 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1jbj s SER 52 N 5.13 4.76 0.53 -2.13 0.01 -1.26 -3.82 113.70 116.93 1jbj s SER 52 Ca 0.93 -2.79 0.24 0.00 1.31 0.00 0.00 55.95 55.64 1jbj s SER 52 Cb -0.53 -1.73 1.40 0.00 0.21 0.00 0.00 66.02 65.37 1jbj s SER 52 CO 0.45 -0.32 2.02 -0.08 0.41 0.00 0.00 173.24 175.72 1jbj h GLU 53 N 6.92 0.00 -0.10 12.44 4.22 -1.92 0.18 114.58 136.32 1jbj h GLU 53 Ca -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 1jbj h GLU 53 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1jbj h GLU 53 CO 0.68 0.00 -0.10 0.28 -2.18 0.00 0.00 179.01 177.69 1jbj h VAL 54 N 0.00 1.13 0.00 0.32 2.07 -1.91 -1.75 116.25 116.10 1jbj h VAL 54 Ca 0.21 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1jbj h VAL 54 Cb 0.84 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1jbj h VAL 54 CO -0.00 0.18 0.06 -0.33 0.02 0.00 0.00 177.57 177.50 1jbj h GLU 55 N 0.14 0.00 -1.83 1.57 4.39 -1.05 -3.45 114.58 114.35 1jbj h GLU 55 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1jbj h GLU 55 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1jbj h GLU 55 CO 0.02 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.40 1jbj n ASP 56 N -2.56 -1.22 -3.75 1.42 2.03 -0.66 -5.10 116.55 106.71 1jbj n ASP 56 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1jbj n ASP 56 Cb 0.11 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1jbj n ASP 56 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1jbj n SER 57 N -0.57 0.00 0.00 1.67 7.64 -1.25 -4.70 113.62 116.41 1jbj n SER 57 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jbj n SER 57 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1jbj n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jbj n GLY 58 N 1.25 0.31 3.85 0.23 0.00 -1.14 -4.43 105.19 105.26 1jbj n GLY 58 Ca 0.00 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.00 3.46 0.11 1.61 1.51 -1.24 -1.57 117.35 117.23 1jbj s TYR 59 Ca 0.00 1.37 0.02 0.00 -1.01 0.00 0.00 57.07 57.45 1jbj s TYR 59 Cb 0.00 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 1jbj s TYR 59 CO 0.00 -0.31 -0.06 0.71 -1.11 0.00 0.00 175.55 174.77 1jbj s TYR 60 N -2.57 0.99 -0.07 2.71 1.51 0.20 0.11 117.35 120.22 1jbj s TYR 60 Ca 0.57 -0.90 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 1jbj s TYR 60 Cb -0.10 -0.56 0.03 0.00 -0.11 0.00 0.00 41.96 41.23 1jbj s TYR 60 CO 0.32 -0.12 0.38 0.54 -1.11 0.00 0.00 175.55 175.56 1jbj s VAL 61 N -3.58 0.03 -0.06 0.71 0.11 -0.93 -1.35 120.40 115.33 1jbj s VAL 61 Ca 0.14 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1jbj s VAL 61 Cb 0.05 -0.63 0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1jbj s VAL 61 CO -0.03 -0.14 0.12 0.00 -3.33 0.00 0.00 175.10 171.73 1jbj s TYR 63 N 1.50 0.06 0.12 0.00 1.13 -1.01 -4.62 117.35 114.52 1jbj s TYR 63 Ca -0.05 -0.41 0.07 0.00 -1.41 0.00 0.00 57.07 55.26 1jbj s TYR 63 Cb -0.12 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1jbj s TYR 63 CO -0.05 -0.80 -0.15 0.99 -2.51 0.00 0.00 175.55 173.02 1jbj s THR 64 N -3.89 1.44 0.16 -3.49 2.01 -0.24 -2.11 115.64 109.51 1jbj s THR 64 Ca 0.11 -1.70 -0.21 0.00 0.31 0.00 0.00 61.69 60.20 1jbj s THR 64 Cb 0.01 -1.55 0.07 0.00 0.01 0.00 0.00 72.50 71.04 1jbj s THR 64 CO -0.04 -0.35 1.63 -0.65 -0.69 0.00 0.00 174.62 174.52 1jbj h PRO 65 N 3.59 -0.19 0.00 4.92 0.11 -2.01 -0.74 132.00 137.68 1jbj h PRO 65 Ca -0.41 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jbj h PRO 65 Cb 1.20 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jbj h PRO 65 CO 0.49 -0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 1jbj h ALA 66 N 0.94 1.00 -3.45 -0.75 0.00 -1.97 -3.40 119.26 111.63 1jbj h ALA 66 Ca 0.17 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.41 1jbj h ALA 66 Cb 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.87 1jbj h ALA 66 CO -0.45 0.00 -0.63 0.45 0.00 0.00 0.00 179.25 178.61 1jbj s SER 67 N -5.97 4.93 -1.19 0.00 0.15 -0.29 -5.03 113.70 106.31 1jbj s SER 67 Ca 0.06 -2.21 -0.15 0.00 0.70 0.00 0.00 55.95 54.34 1jbj s SER 67 Cb 0.06 -1.71 0.15 0.00 -1.71 0.00 0.00 66.02 62.81 1jbj s SER 67 CO 0.63 -0.43 1.45 0.21 1.20 0.00 0.00 173.24 176.30 1jbj s ASN 68 N 1.13 6.96 0.08 5.45 3.84 -1.23 -1.08 114.94 130.10 1jbj s ASN 68 Ca 0.11 -2.75 0.07 0.00 0.21 0.00 0.00 52.86 50.50 1jbj s ASN 68 Cb -0.21 -2.44 -0.04 0.00 -0.55 0.00 0.00 41.25 38.02 1jbj s ASN 68 CO -0.06 -0.88 -0.12 -0.75 -2.79 0.00 0.00 177.10 172.50 1jbj s LYS 69 N 2.26 2.10 -0.17 0.43 2.36 -1.26 -5.05 119.74 120.41 1jbj s LYS 69 Ca 0.44 -1.01 0.00 0.00 -2.55 0.00 0.00 55.97 52.85 1jbj s LYS 69 Cb -0.02 -2.27 0.04 0.00 -1.05 0.00 0.00 37.83 34.53 1jbj s LYS 69 CO -0.00 0.52 -0.08 0.54 1.55 0.00 0.00 175.35 177.88 1jbj s ASN 70 N -1.98 2.98 -0.05 1.43 2.20 -1.26 -4.50 114.94 113.76 1jbj s ASN 70 Ca 0.19 -0.70 0.01 0.00 -0.94 0.00 0.00 52.86 51.42 1jbj s ASN 70 Cb -0.11 -1.06 0.02 0.00 -2.00 0.00 0.00 41.25 38.11 1jbj s ASN 70 CO 0.11 -0.15 -0.04 -0.89 -2.94 0.00 0.00 177.10 173.19 1jbj s THR 71 N 1.53 0.53 -0.38 0.54 2.01 -1.26 -5.07 115.64 113.53 1jbj s THR 71 Ca 0.01 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1jbj s THR 71 Cb -0.15 -0.56 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1jbj s THR 71 CO -0.08 0.23 0.21 -0.31 -0.69 0.00 0.00 174.62 173.98 1jbj s TYR 72 N 0.97 3.26 -0.29 4.92 2.02 -1.25 -3.85 117.35 123.14 1jbj s TYR 72 Ca -0.10 -1.08 -0.12 0.00 -0.37 0.00 0.00 57.07 55.39 1jbj s TYR 72 Cb -0.14 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.85 1jbj s TYR 72 CO -0.00 -0.69 0.23 -1.17 -1.57 0.00 0.00 175.55 172.34 1jbj s LEU 73 N 1.53 4.11 -0.52 -1.29 1.98 -0.46 -4.17 118.68 119.86 1jbj s LEU 73 Ca 0.02 -0.04 -0.16 0.00 -2.89 0.00 0.00 54.13 51.06 1jbj s LEU 73 Cb -0.20 -2.17 0.11 0.00 0.66 0.00 0.00 46.19 44.60 1jbj s LEU 73 CO 0.06 -0.10 0.46 -0.47 -1.89 0.00 0.00 176.35 174.41 1jbj s TYR 74 N 1.80 3.26 -0.18 5.38 6.14 -0.68 0.59 117.35 133.66 1jbj s TYR 74 Ca 0.08 -1.21 -0.03 0.00 0.64 0.00 0.00 57.07 56.55 1jbj s TYR 74 Cb -0.16 -3.60 -0.02 0.00 0.42 0.00 0.00 41.96 38.60 1jbj s TYR 74 CO 0.11 -0.95 -0.05 -1.17 0.64 0.00 0.00 175.55 174.13 1jbj s LEU 75 N 1.60 3.04 -0.27 6.97 0.20 -0.61 -1.58 118.68 128.03 1jbj s LEU 75 Ca 0.03 -0.26 -0.00 0.00 0.69 0.00 0.00 54.13 54.59 1jbj s LEU 75 Cb -0.28 -1.74 0.15 0.00 -0.43 0.00 0.00 46.19 43.89 1jbj s LEU 75 CO 0.04 0.09 0.44 -0.75 -0.29 0.00 0.00 176.35 175.88 1jbj s LYS 76 N 0.81 0.42 0.31 1.98 2.20 -0.74 -2.91 119.74 121.81 1jbj s LYS 76 Ca -0.02 0.48 -0.15 0.00 -0.36 0.00 0.00 55.97 55.93 1jbj s LYS 76 Cb -0.15 -0.22 0.02 0.00 -1.51 0.00 0.00 37.83 35.98 1jbj s LYS 76 CO 0.02 -0.79 0.65 0.00 -0.36 0.00 0.00 175.35 174.87 1jbj s ALA 77 N 2.61 -0.60 -0.17 3.13 0.00 -1.26 -3.58 121.76 121.88 1jbj s ALA 77 Ca 0.13 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1jbj s ALA 77 Cb -0.14 0.89 0.05 0.00 0.00 0.00 0.00 23.12 23.92 1jbj s ALA 77 CO -0.22 -0.95 0.02 0.50 0.00 0.00 0.00 175.76 175.12 1jbj s ARG 78 N -3.38 0.70 0.00 0.00 3.52 -1.25 -3.54 118.95 115.01 1jbj s ARG 78 Ca 0.17 -0.35 -0.08 0.00 -0.13 0.00 0.00 55.73 55.35 1jbj s ARG 78 Cb -0.04 -1.93 -0.05 0.00 -1.56 0.00 0.00 34.95 31.38 1jbj s ARG 78 CO 0.10 -0.57 0.29 0.14 -0.81 0.00 0.00 175.30 174.45 1jbj s VAL 79 N 1.86 5.27 0.17 7.11 -7.23 -1.25 -4.69 120.40 121.64 1jbj s VAL 79 Ca 0.00 0.27 -0.26 0.00 -1.81 0.00 0.00 61.98 60.18 1jbj s VAL 79 Cb -0.16 -3.57 -0.08 0.00 0.56 0.00 0.00 36.38 33.12 1jbj s VAL 79 CO -0.07 0.40 0.80 -0.83 -0.31 0.00 0.00 175.10 175.09 1jbj s GLY 80 N -1.58 2.95 -0.94 2.32 0.00 -1.26 -4.81 107.32 103.99 1jbj s GLY 80 Ca 0.27 0.40 -0.24 0.00 0.00 0.00 0.00 44.72 45.15 1jbj s GLY 80 CO 0.15 0.94 2.08 1.44 0.00 0.00 0.00 173.10 177.70 1jbj n SER 81 N 1.65 1.07 -2.24 1.64 7.64 -1.26 -4.53 113.62 117.59 1jbj n SER 81 Ca -0.05 -2.19 -0.26 0.00 1.01 0.00 0.00 58.87 57.39 1jbj n SER 81 Cb 0.48 -1.61 0.01 0.00 -1.01 0.00 0.00 64.21 62.09 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 18.27 5.09 -2.75 -0.43 0.00 -1.26 -4.64 120.51 134.79 1jbj n ALA 82 Ca 0.39 -4.03 -0.03 0.00 0.00 0.00 0.00 53.44 49.78 1jbj n ALA 82 Cb 0.46 -0.47 0.05 0.00 0.00 0.00 0.00 19.45 19.49 1jbj n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jbj n ASP 83 N -0.61 1.91 -1.80 0.00 2.03 -1.26 -4.74 116.55 112.08 1jbj n ASP 83 Ca 0.42 -2.21 0.00 0.00 0.52 0.00 0.00 54.79 53.52 1jbj n ASP 83 Cb 0.82 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1jbj n ASP 84 N -0.60 -7.32 -2.73 1.67 -0.08 -1.26 -5.08 116.55 101.15 1jbj n ASP 84 Ca 0.11 1.16 -0.08 0.00 -1.51 0.00 0.00 54.79 54.47 1jbj n ASP 84 Cb 0.82 -4.04 -0.01 0.00 2.34 0.00 0.00 41.12 40.23 1jbj n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj n ALA 85 N 1.38 0.17 -1.52 -1.67 0.00 -1.26 -5.13 120.51 112.47 1jbj n ALA 85 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1jbj n ALA 85 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1jbj n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 86 N -0.57 0.00 0.00 0.00 3.00 -1.26 -5.17 118.16 114.16 1jbj n LYS 86 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1jbj n LYS 86 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.20 1jbj n LYS 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jbj n LYS 87 N -0.27 0.00 -2.86 1.64 4.81 -1.26 -5.14 118.16 115.08 1jbj n LYS 87 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1jbj n LYS 87 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1jbj n LYS 87 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1jbj s ASP 88 N 0.00 7.14 0.00 3.14 1.11 -1.26 -4.93 116.67 121.86 1jbj s ASP 88 Ca 0.00 1.38 0.14 0.00 0.18 0.00 0.00 52.55 54.25 1jbj s ASP 88 Cb 0.00 -2.49 0.40 0.00 1.07 0.00 0.00 42.92 41.90 1jbj s ASP 88 CO 0.00 -0.27 1.33 0.00 1.18 0.00 0.00 175.17 177.41 1jbj n ALA 89 N 4.30 2.45 -3.60 5.23 0.00 -1.26 -4.94 120.51 122.69 1jbj n ALA 89 Ca 0.04 -0.69 -0.21 0.00 0.00 0.00 0.00 53.44 52.58 1jbj n ALA 89 Cb 0.50 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 19.02 1jbj n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbj n ALA 90 N 0.65 -2.16 -1.72 0.00 0.00 -1.26 -4.78 120.51 111.23 1jbj n ALA 90 Ca 0.14 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1jbj n ALA 90 Cb 0.34 -2.87 -0.08 0.00 0.00 0.00 0.00 19.45 16.84 1jbj n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jbj s LYS 91 N -5.67 1.71 -1.25 0.00 1.02 -1.26 -3.07 119.74 111.21 1jbj s LYS 91 Ca 0.13 -0.18 -0.03 0.00 0.02 0.00 0.00 55.97 55.92 1jbj s LYS 91 Cb -0.03 -4.96 0.00 0.00 -0.52 0.00 0.00 37.83 32.32 1jbj s LYS 91 CO 0.80 -4.61 1.06 1.63 -0.92 0.00 0.00 175.35 173.30 1jbj n LYS 92 N 8.53 -7.05 -1.58 1.68 5.02 -1.26 -4.59 118.16 118.90 1jbj n LYS 92 Ca 0.44 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.57 1jbj n LYS 92 Cb 0.45 -5.87 0.00 0.00 -0.02 0.00 0.00 35.03 29.59 1jbj n LYS 92 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jbj n ASP 93 N -3.09 -8.36 -4.59 4.39 2.03 -1.18 -4.74 116.55 101.01 1jbj n ASP 93 Ca -0.19 1.15 -0.42 0.00 0.52 0.00 0.00 54.79 55.84 1jbj n ASP 93 Cb 0.63 -4.18 -0.03 0.00 -0.72 0.00 0.00 41.12 36.83 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 -1.97 5.89 0.29 1.67 1.01 -1.26 -4.47 116.67 117.84 1jbj s ASP 94 Ca 0.00 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.29 1jbj s ASP 94 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1jbj s ASP 94 CO 0.00 -1.76 0.00 0.00 0.21 0.00 0.00 175.17 173.62 1jbj n ALA 95 N 10.35 0.30 -2.84 5.23 0.00 -1.26 -5.11 120.51 127.18 1jbj n ALA 95 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1jbj n ALA 95 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 1jbj n ALA 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 96 N -3.11 -2.65 -0.71 0.00 4.81 -1.26 -4.98 118.16 110.25 1jbj n LYS 96 Ca 0.00 2.27 -0.29 0.00 -0.87 0.00 0.00 58.31 59.42 1jbj n LYS 96 Cb 0.00 -5.46 0.25 0.00 0.02 0.00 0.00 35.03 29.84 1jbj n LYS 96 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1jbj s LYS 97 N -2.34 -1.43 -0.10 1.64 3.01 -1.26 -5.05 119.74 114.21 1jbj s LYS 97 Ca 0.19 0.37 0.00 0.00 -1.01 0.00 0.00 55.97 55.52 1jbj s LYS 97 Cb -0.05 -1.53 0.02 0.00 -1.01 0.00 0.00 37.83 35.26 1jbj s LYS 97 CO 0.77 -3.94 -0.10 0.34 0.51 0.00 0.00 175.35 172.93 1jbj s ASP 98 N -3.14 2.12 -0.49 2.83 2.15 -1.26 -5.07 116.67 113.81 1jbj s ASP 98 Ca 0.68 -0.32 -0.26 0.00 0.43 0.00 0.00 52.55 53.08 1jbj s ASP 98 Cb -0.17 -0.88 -0.07 0.00 -0.30 0.00 0.00 42.92 41.50 1jbj s ASP 98 CO 0.60 -0.07 2.42 -0.90 -0.17 0.00 0.00 175.17 177.05 1jbj n ASP 99 N 4.61 2.32 -3.81 -0.34 5.68 -1.26 -4.93 116.55 118.82 1jbj n ASP 99 Ca -0.16 -0.51 -0.30 0.00 -0.50 0.00 0.00 54.79 53.33 1jbj n ASP 99 Cb 0.50 -1.59 0.28 0.00 -1.14 0.00 0.00 41.12 39.18 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jbj s ALA 100 N 12.23 -0.79 -0.58 2.12 0.00 -1.26 -4.89 121.76 128.59 1jbj s ALA 100 Ca 0.98 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1jbj s ALA 100 Cb -0.18 -3.06 0.21 0.00 0.00 0.00 0.00 23.12 20.09 1jbj s ALA 100 CO 0.26 -4.42 2.37 1.63 0.00 0.00 0.00 175.76 175.60 1jbj n LYS 101 N -5.45 2.46 0.08 0.00 4.76 -1.26 -4.62 118.16 114.12 1jbj n LYS 101 Ca 0.09 -2.70 0.05 0.00 -2.87 0.00 0.00 58.31 52.88 1jbj n LYS 101 Cb 0.58 -2.13 0.48 0.00 -1.84 0.00 0.00 35.03 32.12 1jbj n LYS 101 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1jbj h LYS 102 N 2.69 0.37 -1.00 1.97 1.57 -1.96 -1.34 116.57 118.87 1jbj h LYS 102 Ca 0.46 -0.03 -0.52 0.00 -1.87 0.00 0.00 60.65 58.69 1jbj h LYS 102 Cb 0.55 -0.08 -0.30 0.00 0.08 0.00 0.00 32.23 32.47 1jbj h LYS 102 CO 1.11 0.26 0.66 -0.40 -0.57 0.00 0.00 179.45 180.50 1jbj n ASP 103 N -4.48 3.90 -3.14 0.86 5.75 -1.26 -4.88 116.55 113.29 1jbj n ASP 103 Ca 0.01 -3.59 -0.22 0.00 -0.01 0.00 0.00 54.79 50.98 1jbj n ASP 103 Cb 0.08 -0.84 0.01 0.00 -1.03 0.00 0.00 41.12 39.34 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jbj n GLY 104 N -1.11 -0.50 3.58 6.12 0.00 -0.50 -4.83 105.19 107.94 1jbj n GLY 104 Ca 0.59 0.10 -0.46 0.00 0.00 0.00 0.00 46.02 46.25 1jbj n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 105 N -2.34 3.10 -4.63 1.61 7.64 -1.26 -4.87 113.62 112.87 1jbj n SER 105 Ca -0.07 0.43 -0.43 0.00 1.01 0.00 0.00 58.87 59.81 1jbj n SER 105 Cb 0.58 -1.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 1jbj n SER 105 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1jbj s GLN 106 N 5.83 3.63 -0.39 1.43 1.11 -1.26 -4.81 119.66 125.20 1jbj s GLN 106 Ca 1.01 2.02 0.04 0.00 0.01 0.00 0.00 55.36 58.44 1jbj s GLN 106 Cb -0.52 -4.19 0.31 0.00 -1.01 0.00 0.00 33.01 27.59 1jbj s GLN 106 CO 0.42 -1.52 1.23 -2.37 0.01 0.00 0.00 175.29 173.06 1jbj n THR 107 N 6.71 0.00 -3.15 -0.19 5.66 -1.26 -5.10 114.28 116.95 1jbj n THR 107 Ca 0.23 -1.03 0.05 0.00 -3.05 0.00 0.00 64.05 60.26 1jbj n THR 107 Cb 0.44 1.26 -0.00 0.00 -1.55 0.00 0.00 70.33 70.48 1jbj n THR 107 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1jbj s ASN 108 N -0.72 -0.47 0.27 1.09 3.84 -1.26 -5.03 114.94 112.66 1jbj s ASN 108 Ca 0.23 0.09 -0.01 0.00 0.21 0.00 0.00 52.86 53.38 1jbj s ASN 108 Cb 0.28 1.31 0.37 0.00 -0.55 0.00 0.00 41.25 42.66 1jbj s ASN 108 CO -0.14 -0.09 1.75 0.50 -2.79 0.00 0.00 177.10 176.34 1jbj h LYS 109 N 7.42 0.69 0.00 0.43 3.64 -1.99 -3.48 116.57 123.28 1jbj h LYS 109 Ca -0.10 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1jbj h LYS 109 Cb 1.18 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1jbj h LYS 109 CO -0.09 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.85 1jbj n ALA 110 N -2.48 0.00 -2.65 5.00 0.00 -1.26 -5.00 120.51 114.12 1jbj n ALA 110 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1jbj n ALA 110 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.92 -3.14 -2.91 0.00 5.02 -1.26 -5.07 118.16 109.87 1jbj n LYS 111 Ca 0.00 2.57 -0.11 0.00 -2.02 0.00 0.00 58.31 58.75 1jbj n LYS 111 Cb 0.00 -5.13 -0.02 0.00 -0.02 0.00 0.00 35.03 29.85 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 0.53 2.11 0.00 4.39 3.02 -1.26 -5.12 115.26 118.93 1jbj n ASN 112 Ca 0.01 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 1jbj n ASN 112 Cb 0.05 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1jbj n ASN 112 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jbj n LEU 113 N 0.00 0.00 -4.85 3.41 4.32 -1.26 -5.08 117.00 113.54 1jbj n LEU 113 Ca -0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.62 1jbj n LEU 113 Cb 0.22 -0.02 -0.05 0.00 -1.62 0.00 0.00 43.42 41.95 1jbj n LEU 113 CO 0.12 -0.49 -0.21 0.54 -1.22 0.00 0.00 177.39 176.13 1jbj s VAL 114 N -0.98 4.96 0.05 4.08 0.11 -1.26 -4.72 120.40 122.64 1jbj s VAL 114 Ca 0.00 -0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1jbj s VAL 114 Cb 0.00 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 1jbj s VAL 114 CO 0.00 0.15 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.31 1jbj s GLN 115 N -2.39 0.61 0.05 1.54 -0.44 -0.99 -5.05 119.66 113.00 1jbj s GLN 115 Ca 0.31 -1.19 0.00 0.00 -2.50 0.00 0.00 55.36 51.99 1jbj s GLN 115 Cb -0.13 0.16 -0.03 0.00 -1.64 0.00 0.00 33.01 31.37 1jbj s GLN 115 CO 0.24 -0.10 -0.04 0.14 0.50 0.00 0.00 175.29 176.03 1jbj s VAL 116 N -3.72 0.33 0.16 1.34 -7.23 -1.26 0.15 120.40 110.16 1jbj s VAL 116 Ca 0.06 -1.47 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1jbj s VAL 116 Cb 0.07 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1jbj s VAL 116 CO -0.09 -0.74 0.18 -0.62 -0.31 0.00 0.00 175.10 173.52 1jbj s ASP 117 N -2.34 5.79 0.00 4.85 -1.08 0.30 -4.88 116.67 119.31 1jbj s ASP 117 Ca -0.01 -0.02 0.00 0.00 -0.52 0.00 0.00 52.55 51.99 1jbj s ASP 117 Cb -0.00 -1.60 0.00 0.00 -1.46 0.00 0.00 42.92 39.86 1jbj s ASP 117 CO -0.05 0.07 0.00 0.61 0.52 0.00 0.00 175.17 176.32 1jbj n GLY 118 N -0.38 0.00 2.95 2.66 0.00 -1.26 -1.99 105.19 107.16 1jbj n GLY 118 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 119 N -4.04 4.48 -0.13 1.61 0.15 -1.26 -3.62 113.70 110.89 1jbj s SER 119 Ca 0.00 -3.21 0.14 0.00 0.70 0.00 0.00 55.95 53.58 1jbj s SER 119 Cb 0.00 -1.65 0.64 0.00 -1.71 0.00 0.00 66.02 63.30 1jbj s SER 119 CO 0.00 -0.20 1.51 0.54 1.20 0.00 0.00 173.24 176.29 1jbj n ARG 120 N 2.85 3.61 0.00 5.44 1.74 -1.26 -4.91 116.66 124.13 1jbj n ARG 120 Ca 0.09 -2.49 0.00 0.00 -0.77 0.00 0.00 57.85 54.67 1jbj n ARG 120 Cb 0.33 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1jbj n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jbj n GLY 121 N 0.87 3.10 0.07 -0.13 0.00 -1.26 -4.76 105.19 103.08 1jbj n GLY 121 Ca 0.22 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.33 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 0.76 0.41 -0.04 1.61 8.00 -1.26 -5.00 116.55 121.03 1jbj n ASP 122 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1jbj n ASP 122 Cb 0.00 0.97 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 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 1.39 0.90 3.27 0.44 0.00 -1.26 -5.05 105.19 104.87 1jbj n GLY 123 Ca -0.11 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.88 3.34 -0.02 1.61 0.01 -1.24 -2.99 113.70 112.53 1jbj s SER 124 Ca 0.00 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1jbj s SER 124 Cb 0.00 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.82 1jbj s SER 124 CO 0.00 0.18 1.01 -0.69 0.41 0.00 0.00 173.24 174.15 1jbj s VAL 125 N 0.25 4.75 -0.28 3.43 1.01 -1.08 -4.29 120.40 124.20 1jbj s VAL 125 Ca -0.14 1.99 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 1jbj s VAL 125 Cb -0.17 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.02 1jbj s VAL 125 CO 0.07 0.11 0.05 -0.76 0.00 0.00 0.00 175.10 174.58 1jbj s LEU 126 N 1.31 2.40 0.05 3.92 1.02 -0.84 -2.38 118.68 124.16 1jbj s LEU 126 Ca 0.52 -1.46 -0.31 0.00 0.02 0.00 0.00 54.13 52.90 1jbj s LEU 126 Cb -0.21 -0.96 -0.06 0.00 0.02 0.00 0.00 46.19 44.98 1jbj s LEU 126 CO 0.25 -0.36 1.23 -0.76 0.02 0.00 0.00 176.35 176.74 1jbj s LEU 127 N 1.54 4.36 -0.13 1.79 1.43 -0.21 0.11 118.68 127.56 1jbj s LEU 127 Ca 0.05 2.03 -0.04 0.00 -1.03 0.00 0.00 54.13 55.14 1jbj s LEU 127 Cb -0.18 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1jbj s LEU 127 CO -0.17 -0.52 0.00 0.42 0.23 0.00 0.00 176.35 176.32 1jbj s THR 128 N 1.28 4.29 0.00 5.49 -4.23 0.41 0.17 115.64 123.05 1jbj s THR 128 Ca 0.59 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1jbj s THR 128 Cb -0.30 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1jbj s THR 128 CO 0.28 0.54 0.00 0.00 -0.54 0.00 0.00 174.62 174.90 1jbj n GLY 130 N 0.00 2.53 2.52 0.00 0.00 -1.26 -4.61 105.19 104.37 1jbj n GLY 130 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 1jbj n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jbj n LEU 131 N 0.00 -5.08 -1.63 0.99 7.99 -1.26 -3.34 117.00 114.68 1jbj n LEU 131 Ca 0.00 -0.07 -0.18 0.00 -0.01 0.00 0.00 56.01 55.75 1jbj n LEU 131 Cb 0.00 -2.49 -0.07 0.00 -0.11 0.00 0.00 43.42 40.75 1jbj n LEU 131 CO 0.00 -0.68 -0.18 0.35 -1.51 0.00 0.00 177.39 175.37 1jbj n THR 132 N -1.58 -0.11 -3.28 -5.08 -2.24 -1.26 -4.94 114.28 95.79 1jbj n THR 132 Ca -0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1jbj n THR 132 Cb 0.51 -1.80 -0.06 0.00 -2.10 0.00 0.00 70.33 66.88 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 -2.45 6.90 0.00 3.42 1.01 -1.21 -4.95 116.67 119.39 1jbj s ASP 133 Ca 0.00 1.18 0.30 0.00 0.71 0.00 0.00 52.55 54.74 1jbj s ASP 133 Cb 0.00 -2.33 1.48 0.00 1.01 0.00 0.00 42.92 43.09 1jbj s ASP 133 CO 0.00 0.09 2.03 0.29 0.21 0.00 0.00 175.17 177.80 1jbj n LYS 134 N 0.83 0.42 -4.24 8.23 5.02 -1.26 -4.69 118.16 122.46 1jbj n LYS 134 Ca -0.05 -0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.02 1jbj n LYS 134 Cb 0.52 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jbj s THR 135 N -2.59 0.65 -0.04 -0.18 2.01 -1.26 -5.11 115.64 109.12 1jbj s THR 135 Ca 0.28 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 1jbj s THR 135 Cb 0.20 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 72.08 1jbj s THR 135 CO 0.47 0.25 0.09 -0.63 -0.69 0.00 0.00 174.62 174.11 1jbj s ILE 136 N 0.88 -0.03 -0.23 1.82 1.01 -1.26 -3.37 121.20 120.01 1jbj s ILE 136 Ca -0.12 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1jbj s ILE 136 Cb -0.15 -0.15 0.07 0.00 0.01 0.00 0.00 42.46 42.24 1jbj s ILE 136 CO 0.01 0.04 0.02 -0.75 0.00 0.00 0.00 174.94 174.26 1jbj s LYS 137 N 0.59 0.96 0.01 2.79 2.20 -0.95 -4.97 119.74 120.37 1jbj s LYS 137 Ca -0.05 -0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 54.68 1jbj s LYS 137 Cb -0.06 -2.24 -0.06 0.00 -1.51 0.00 0.00 37.83 33.96 1jbj s LYS 137 CO -0.02 -0.71 0.39 -0.46 -0.36 0.00 0.00 175.35 174.18 1jbj s TRP 138 N 1.66 3.68 0.16 4.03 -0.11 -1.26 -0.72 118.94 126.37 1jbj s TRP 138 Ca 0.00 0.91 0.06 0.00 1.22 0.00 0.00 56.10 58.29 1jbj s TRP 138 Cb -0.18 -2.23 -0.04 0.00 -1.50 0.00 0.00 33.47 29.52 1jbj s TRP 138 CO -0.11 0.62 -0.13 -0.51 -4.62 0.00 0.00 176.95 172.19 1jbj s LEU 139 N -1.31 2.49 -0.04 5.86 1.02 0.17 -2.61 118.68 124.26 1jbj s LEU 139 Ca 0.26 -0.94 0.01 0.00 0.02 0.00 0.00 54.13 53.47 1jbj s LEU 139 Cb -0.16 -0.55 0.02 0.00 0.02 0.00 0.00 46.19 45.53 1jbj s LEU 139 CO 0.14 -0.20 -0.04 -0.75 0.02 0.00 0.00 176.35 175.52 1jbj s LYS 140 N -3.31 0.78 -0.64 1.70 2.20 0.37 -1.85 119.74 118.98 1jbj s LYS 140 Ca 0.16 -0.08 -0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1jbj s LYS 140 Cb -0.01 -0.81 0.03 0.00 -1.51 0.00 0.00 37.83 35.53 1jbj s LYS 140 CO 0.04 -0.09 0.11 -0.40 -0.36 0.00 0.00 175.35 174.65 1jbj n ASP 141 N 4.07 -2.34 0.00 1.43 5.68 -1.26 0.11 116.55 124.25 1jbj n ASP 141 Ca -0.25 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1jbj n ASP 141 Cb 0.51 -2.05 0.00 0.00 -1.14 0.00 0.00 41.12 38.44 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jbj n GLY 142 N -0.73 0.69 3.17 6.12 0.00 -1.26 -5.07 105.19 108.11 1jbj n GLY 142 Ca -0.04 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.72 1.54 -0.10 1.61 0.15 0.30 -5.13 113.70 109.36 1jbj s SER 143 Ca 0.00 -0.69 -0.24 0.00 0.70 0.00 0.00 55.95 55.72 1jbj s SER 143 Cb 0.00 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1jbj s SER 143 CO 0.00 -0.16 0.76 -0.63 1.20 0.00 0.00 173.24 174.42 1jbj s ILE 144 N -1.74 4.98 -0.22 6.45 1.09 -1.26 0.14 121.20 130.63 1jbj s ILE 144 Ca 0.00 1.55 -0.04 0.00 -1.10 0.00 0.00 60.65 61.06 1jbj s ILE 144 Cb -0.07 -4.09 0.08 0.00 -1.06 0.00 0.00 42.46 37.31 1jbj s ILE 144 CO 0.01 0.17 0.10 -0.51 -0.10 0.00 0.00 174.94 174.61 1jbj s ILE 145 N 1.28 0.05 0.15 2.92 2.07 -1.07 -4.91 121.20 121.68 1jbj s ILE 145 Ca 0.39 -0.50 0.09 0.00 -1.41 0.00 0.00 60.65 59.22 1jbj s ILE 145 Cb -0.18 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1jbj s ILE 145 CO 0.17 -0.46 -0.21 -0.94 -1.91 0.00 0.00 174.94 171.59 1jbj s SER 146 N 2.06 2.80 0.41 4.50 1.04 -1.26 -4.58 113.70 118.67 1jbj s SER 146 Ca 0.05 -0.80 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 1jbj s SER 146 Cb -0.16 -0.17 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 1jbj s SER 146 CO -0.20 0.04 0.72 -2.16 0.98 0.00 0.00 173.24 172.62 1jbj s PRO 147 N -2.42 3.63 -0.18 4.02 0.04 -1.26 -5.01 135.00 133.81 1jbj s PRO 147 Ca 0.13 0.21 0.14 0.00 0.04 0.00 0.00 61.00 61.52 1jbj s PRO 147 Cb -0.08 -2.45 0.37 0.00 0.04 0.00 0.00 34.50 32.38 1jbj s PRO 147 CO 0.06 -0.05 1.20 -0.11 0.04 0.00 0.00 177.00 178.14 1jbj n LEU 148 N -1.68 2.57 -0.79 -3.56 -0.00 -1.26 -4.59 117.00 107.70 1jbj n LEU 148 Ca 0.00 -3.61 -0.04 0.00 -0.00 0.00 0.00 56.01 52.36 1jbj n LEU 148 Cb 0.55 -0.49 -0.04 0.00 -0.00 0.00 0.00 43.42 43.43 1jbj n LEU 148 CO 0.50 1.16 0.29 0.59 -0.00 0.00 0.00 177.39 179.93 1jbj n ASN 149 N -1.22 -0.61 -3.53 1.96 3.02 -1.26 -5.13 115.26 108.49 1jbj n ASN 149 Ca 0.18 -1.52 -0.16 0.00 -0.03 0.00 0.00 54.58 53.06 1jbj n ASN 149 Cb 0.67 0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.97 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 0.00 -1.81 -0.09 5.41 0.00 -1.26 -5.07 121.76 118.93 1jbj s ALA 150 Ca 0.00 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1jbj s ALA 150 Cb 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.09 1jbj s ALA 150 CO 0.00 -0.38 0.78 -2.37 0.00 0.00 0.00 175.76 173.79 1jbj n THR 151 N 0.79 0.00 -1.57 0.00 5.66 -1.26 -4.73 114.28 113.17 1jbj n THR 151 Ca -0.16 -0.28 -0.31 0.00 -3.05 0.00 0.00 64.05 60.24 1jbj n THR 151 Cb 0.58 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 1jbj n THR 151 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1jbj n LYS 152 N -0.44 2.49 -1.51 1.09 4.81 -1.26 -4.74 118.16 118.60 1jbj n LYS 152 Ca -0.06 -2.78 -0.15 0.00 -0.87 0.00 0.00 58.31 54.46 1jbj n LYS 152 Cb 0.60 -2.15 -0.06 0.00 0.02 0.00 0.00 35.03 33.44 1jbj n LYS 152 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1jbj n ASN 153 N 0.14 -3.89 -4.58 3.14 6.94 -1.26 -4.92 115.26 110.82 1jbj n ASN 153 Ca 0.50 0.34 -0.27 0.00 -0.02 0.00 0.00 54.58 55.14 1jbj n ASN 153 Cb 0.45 -3.56 -0.11 0.00 -2.36 0.00 0.00 39.78 34.20 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1jbj s THR 154 N -2.28 1.78 -0.05 5.53 -4.23 -1.26 -2.06 115.64 113.08 1jbj s THR 154 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1jbj s THR 154 Cb 0.00 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.93 1jbj s THR 154 CO 0.00 0.00 -0.05 0.86 -0.54 0.00 0.00 174.62 174.89 1jbj s TRP 155 N -2.85 0.82 0.08 3.99 -0.00 0.46 -4.76 118.94 116.68 1jbj s TRP 155 Ca 0.35 -0.24 -0.30 0.00 -0.00 0.00 0.00 56.10 55.90 1jbj s TRP 155 Cb 0.09 -0.70 -0.06 0.00 -0.00 0.00 0.00 33.47 32.81 1jbj s TRP 155 CO 0.17 -0.19 1.13 -0.80 -0.00 0.00 0.00 176.95 177.26 1jbj s ASN 156 N 0.85 7.19 -0.04 5.86 0.02 -1.26 -1.04 114.94 126.51 1jbj s ASN 156 Ca -0.12 1.97 0.04 0.00 -1.02 0.00 0.00 52.86 53.73 1jbj s ASN 156 Cb -0.15 -2.58 -0.06 0.00 0.02 0.00 0.00 41.25 38.48 1jbj s ASN 156 CO 0.01 -0.36 0.02 0.18 0.02 0.00 0.00 177.10 176.97 1jbj n LEU 157 N 3.46 0.02 0.00 0.60 4.77 -1.00 -4.97 117.00 119.87 1jbj n LEU 157 Ca 0.07 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1jbj n LEU 157 Cb 0.47 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1jbj n LEU 157 CO 0.54 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1jbj n GLY 158 N 2.73 0.55 3.36 -0.72 0.00 -1.26 -4.29 105.19 105.55 1jbj n GLY 158 Ca -0.07 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 5.02 0.53 1.61 3.84 -1.26 -2.64 114.94 118.03 1jbj s ASN 159 Ca 0.00 -0.58 0.42 0.00 0.21 0.00 0.00 52.86 52.91 1jbj s ASN 159 Cb 0.00 -1.87 1.61 0.00 -0.55 0.00 0.00 41.25 40.44 1jbj s ASN 159 CO 0.00 -0.14 1.65 -0.55 -2.79 0.00 0.00 177.10 175.27 1jbj h ASN 160 N 8.22 0.06 -0.47 -4.21 7.08 -1.89 1.18 115.58 125.55 1jbj h ASN 160 Ca -0.34 0.03 0.01 0.00 -3.08 0.00 0.00 56.30 52.92 1jbj h ASN 160 Cb 1.14 0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 37.38 1jbj h ASN 160 CO 0.60 -0.03 0.31 0.00 -2.08 0.00 0.00 177.43 176.23 1jbj h ALA 161 N 1.25 1.69 0.00 4.14 0.00 -1.90 -3.37 119.26 121.07 1jbj h ALA 161 Ca 0.80 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 55.47 1jbj h ALA 161 Cb 3.07 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 20.53 1jbj h ALA 161 CO -0.10 0.28 -0.42 1.17 0.00 0.00 0.00 179.25 180.19 1jbj n LYS 162 N -4.47 0.81 -4.42 0.00 0.00 0.37 -4.49 118.16 105.96 1jbj n LYS 162 Ca 0.04 -1.71 -0.27 0.00 0.00 0.00 0.00 58.31 56.38 1jbj n LYS 162 Cb 0.07 -1.16 -0.12 0.00 0.00 0.00 0.00 35.03 33.83 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1jbj s ASP 163 N -1.37 3.47 1.15 3.14 -4.77 0.68 -4.53 116.67 114.44 1jbj s ASP 163 Ca 0.27 -0.87 -0.16 0.00 -3.30 0.00 0.00 52.55 48.49 1jbj s ASP 163 Cb 0.26 -0.27 0.23 0.00 -1.09 0.00 0.00 42.92 42.05 1jbj s ASP 163 CO -0.16 0.11 0.93 -0.81 0.70 0.00 0.00 175.17 175.95 1jbj n PRO 164 N 0.18 -2.34 -3.91 2.11 -0.04 -1.26 -4.62 135.00 125.12 1jbj n PRO 164 Ca -0.12 -1.47 -0.09 0.00 -0.04 0.00 0.00 63.50 61.79 1jbj n PRO 164 Cb 0.56 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1jbj n PRO 164 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1jbj s ARG 165 N -5.09 1.82 0.00 0.54 1.04 -1.26 -4.48 118.95 111.52 1jbj s ARG 165 Ca 0.58 -1.22 0.00 0.00 -1.04 0.00 0.00 55.73 54.05 1jbj s ARG 165 Cb -0.05 0.56 0.00 0.00 -2.04 0.00 0.00 34.95 33.42 1jbj s ARG 165 CO 0.44 -0.81 0.00 0.41 -0.04 0.00 0.00 175.30 175.30 1jbj n GLY 166 N -0.46 -0.17 3.40 3.88 0.00 -1.00 -5.02 105.19 105.82 1jbj n GLY 166 Ca -0.04 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 2.90 -0.07 2.61 -4.23 -1.26 -1.48 115.64 110.11 1jbj s THR 167 Ca 0.00 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1jbj s THR 167 Cb 0.00 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.71 1jbj s THR 167 CO 0.00 0.56 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.31 1jbj s TYR 168 N -0.20 0.82 -0.06 3.99 1.51 -0.12 -4.20 117.35 119.09 1jbj s TYR 168 Ca -0.00 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1jbj s TYR 168 Cb -0.13 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1jbj s TYR 168 CO 0.03 -0.34 0.05 1.14 -1.11 0.00 0.00 175.55 175.33 1jbj s GLN 169 N 1.75 3.08 0.19 -0.62 -2.07 -0.77 0.16 119.66 121.38 1jbj s GLN 169 Ca 0.02 -0.39 0.11 0.00 -1.82 0.00 0.00 55.36 53.28 1jbj s GLN 169 Cb -0.13 -2.88 -0.04 0.00 -1.09 0.00 0.00 33.01 28.87 1jbj s GLN 169 CO -0.05 0.70 -0.22 0.00 -1.32 0.00 0.00 175.29 174.39 1jbj s GLN 171 N -2.73 1.19 0.33 0.00 -0.21 0.10 0.23 119.66 118.57 1jbj s GLN 171 Ca 0.20 -0.75 -0.00 0.00 0.02 0.00 0.00 55.36 54.83 1jbj s GLN 171 Cb -0.07 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 1jbj s GLN 171 CO 0.09 -0.62 0.54 0.20 -2.12 0.00 0.00 175.29 173.38 1jbj s GLY 172 N 1.60 1.45 0.08 3.09 0.00 0.32 -2.23 107.32 111.63 1jbj s GLY 172 Ca -0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 44.72 43.68 1jbj s GLY 172 CO -0.07 -0.78 0.77 0.00 0.00 0.00 0.00 173.10 173.02 1jbj n ALA 173 N -1.58 -0.32 -0.61 3.20 0.00 -1.22 -1.93 120.51 118.06 1jbj n ALA 173 Ca -0.04 0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.83 1jbj n ALA 173 Cb 0.56 -0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -4.57 1.63 -3.63 0.00 3.00 -1.26 -4.98 118.16 108.35 1jbj n LYS 174 Ca 0.01 -1.32 -0.26 0.00 -0.00 0.00 0.00 58.31 56.74 1jbj n LYS 174 Cb 0.13 -0.88 -0.17 0.00 0.00 0.00 0.00 35.03 34.11 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 -0.89 0.14 -0.27 1.64 2.02 -0.81 -5.12 118.70 115.40 1jbj s GLU 175 Ca 0.05 -0.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.77 1jbj s GLU 175 Cb 0.04 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.37 1jbj s GLU 175 CO 0.00 -0.68 0.25 0.99 0.02 0.00 0.00 175.26 175.85 1jbj s THR 176 N 2.10 5.27 0.40 3.63 2.01 -1.26 0.12 115.64 127.91 1jbj s THR 176 Ca 0.02 0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.14 1jbj s THR 176 Cb -0.16 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1jbj s THR 176 CO -0.10 0.23 0.85 -0.44 -0.69 0.00 0.00 174.62 174.47 1jbj s SER 177 N 1.69 6.79 0.65 3.53 0.01 0.14 -4.90 113.70 121.61 1jbj s SER 177 Ca 0.10 1.46 -0.09 0.00 1.31 0.00 0.00 55.95 58.73 1jbj s SER 177 Cb -0.16 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.64 1jbj s SER 177 CO 0.10 -0.33 1.00 0.20 0.41 0.00 0.00 173.24 174.62 1jbj s ASN 178 N -2.43 5.46 -0.28 2.44 -0.87 -1.26 -2.75 114.94 115.25 1jbj s ASN 178 Ca 0.58 0.90 -0.30 0.00 -1.57 0.00 0.00 52.86 52.46 1jbj s ASN 178 Cb -0.10 -1.77 -0.07 0.00 -0.02 0.00 0.00 41.25 39.29 1jbj s ASN 178 CO 0.19 -1.24 2.23 -2.65 -2.57 0.00 0.00 177.10 173.06 1jbj n PRO 179 N -2.81 1.62 -2.66 -0.60 -0.02 -1.26 -4.40 135.00 124.87 1jbj n PRO 179 Ca 0.06 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 1jbj n PRO 179 Cb 0.58 -2.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.05 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 8.20 4.20 -0.88 2.45 2.96 0.42 -4.58 118.68 131.44 1jbj s LEU 180 Ca 1.04 1.49 -0.19 0.00 -0.22 0.00 0.00 54.13 56.25 1jbj s LEU 180 Cb -0.50 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 42.76 1jbj s LEU 180 CO 0.39 -0.53 1.08 -1.58 -1.32 0.00 0.00 176.35 174.39 1jbj s GLN 181 N 2.45 3.53 -0.34 1.98 -0.44 -1.26 -0.95 119.66 124.64 1jbj s GLN 181 Ca 0.47 -1.68 -0.18 0.00 -2.50 0.00 0.00 55.36 51.47 1jbj s GLN 181 Cb -0.17 -4.80 -0.01 0.00 -1.64 0.00 0.00 33.01 26.39 1jbj s GLN 181 CO 0.14 -1.75 0.53 0.08 0.50 0.00 0.00 175.29 174.79 1jbj s VAL 182 N 2.71 5.01 -0.43 1.34 1.01 -0.55 -1.69 120.40 127.80 1jbj s VAL 182 Ca 0.30 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 1jbj s VAL 182 Cb -0.07 -3.96 0.11 0.00 0.00 0.00 0.00 36.38 32.46 1jbj s VAL 182 CO -0.07 -0.19 0.25 -0.47 0.00 0.00 0.00 175.10 174.62 1jbj s TYR 183 N 2.43 3.54 -0.35 5.22 5.04 -0.62 -2.37 117.35 130.23 1jbj s TYR 183 Ca 0.20 -2.25 0.03 0.00 -2.44 0.00 0.00 57.07 52.61 1jbj s TYR 183 Cb -0.15 -3.30 0.10 0.00 0.35 0.00 0.00 41.96 38.96 1jbj s TYR 183 CO 0.13 -0.98 0.09 0.71 -1.34 0.00 0.00 175.55 174.16 1jbj s TYR 184 N 1.21 3.14 0.41 4.97 2.02 -1.25 -1.80 117.35 126.06 1jbj s TYR 184 Ca 0.07 -2.69 0.03 0.00 -0.37 0.00 0.00 57.07 54.11 1jbj s TYR 184 Cb -0.24 -2.58 -0.03 0.00 -0.40 0.00 0.00 41.96 38.71 1jbj s TYR 184 CO -0.03 -0.91 0.11 0.50 -1.57 0.00 0.00 175.55 173.65 1jbj s ARG 185 N 0.94 1.92 0.00 -0.62 3.52 -1.24 -4.29 118.95 119.18 1jbj s ARG 185 Ca 0.12 -2.16 0.00 0.00 -0.13 0.00 0.00 55.73 53.55 1jbj s ARG 185 Cb -0.19 -0.74 0.00 0.00 -1.56 0.00 0.00 34.95 32.46 1jbj s ARG 185 CO -0.11 -0.43 0.13 -0.12 -0.81 0.00 0.00 175.30 173.96