#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj n ASP 2 N 0.00 3.67 -1.03 -2.24 5.75 -1.26 -5.08 116.55 116.36 1jbj n ASP 2 Ca 0.00 -3.45 0.14 0.00 -0.01 0.00 0.00 54.79 51.46 1jbj n ASP 2 Cb 0.00 -0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 39.36 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jbj n ALA 3 N -0.75 -3.23 -1.79 2.12 0.00 -1.26 -4.75 120.51 110.85 1jbj n ALA 3 Ca 0.39 0.34 -0.35 0.00 0.00 0.00 0.00 53.44 53.83 1jbj n ALA 3 Cb 1.25 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 1jbj n ALA 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jbj s GLU 4 N -2.08 3.91 -0.39 0.00 2.02 -1.26 -5.01 118.70 115.89 1jbj s GLU 4 Ca 0.00 1.42 -0.03 0.00 0.02 0.00 0.00 54.97 56.38 1jbj s GLU 4 Cb 0.00 -2.24 0.21 0.00 0.10 0.00 0.00 34.13 32.21 1jbj s GLU 4 CO 0.00 -0.35 1.02 -1.71 0.02 0.00 0.00 175.26 174.24 1jbj n ASN 5 N -0.68 -1.95 -4.83 -0.19 2.85 -1.26 -5.10 115.26 104.09 1jbj n ASN 5 Ca 0.08 -1.52 -0.25 0.00 -0.11 0.00 0.00 54.58 52.79 1jbj n ASN 5 Cb 0.51 1.00 -0.04 0.00 1.24 0.00 0.00 39.78 42.49 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 0.89 2.11 -0.14 -1.44 -1.09 -1.26 -5.13 121.20 115.15 1jbj s ILE 6 Ca 0.25 -1.55 -0.03 0.00 -2.23 0.00 0.00 60.65 57.09 1jbj s ILE 6 Cb 0.11 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1jbj s ILE 6 CO -0.10 0.00 -0.02 -0.70 -1.23 0.00 0.00 174.94 172.89 1jbj s GLU 7 N -4.09 3.50 0.43 2.79 2.12 -1.26 -4.72 118.70 117.47 1jbj s GLU 7 Ca 0.39 -0.48 -0.25 0.00 0.36 0.00 0.00 54.97 54.99 1jbj s GLU 7 Cb -0.00 -2.90 -0.09 0.00 0.26 0.00 0.00 34.13 31.40 1jbj s GLU 7 CO 0.22 0.37 1.23 0.66 -0.54 0.00 0.00 175.26 177.21 1jbj n TYR 8 N 3.16 1.98 -4.38 5.30 4.01 -1.26 -4.80 117.16 121.18 1jbj n TYR 8 Ca -0.18 0.50 -0.25 0.00 -0.16 0.00 0.00 57.90 57.82 1jbj n TYR 8 Cb 0.53 -2.35 -0.12 0.00 -0.31 0.00 0.00 39.34 37.09 1jbj n TYR 8 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1jbj s LYS 9 N -2.23 1.40 -0.08 -0.72 3.01 -1.05 -4.92 119.74 115.14 1jbj s LYS 9 Ca 0.62 -1.45 -0.04 0.00 -1.01 0.00 0.00 55.97 54.09 1jbj s LYS 9 Cb -0.51 -1.62 0.04 0.00 -1.01 0.00 0.00 37.83 34.73 1jbj s LYS 9 CO 0.57 0.35 0.18 0.08 0.51 0.00 0.00 175.35 177.04 1jbj s VAL 10 N -1.75 -0.04 -0.20 3.17 1.01 -1.26 -1.23 120.40 120.10 1jbj s VAL 10 Ca 0.18 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1jbj s VAL 10 Cb -0.07 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.09 1jbj s VAL 10 CO 0.08 0.06 0.48 -0.44 0.00 0.00 0.00 175.10 175.29 1jbj s SER 11 N 1.12 -0.61 -0.21 3.32 0.01 -0.77 -4.97 113.70 111.59 1jbj s SER 11 Ca -0.09 1.04 -0.17 0.00 1.31 0.00 0.00 55.95 58.04 1jbj s SER 11 Cb -0.10 0.94 -0.03 0.00 0.21 0.00 0.00 66.02 67.03 1jbj s SER 11 CO -0.06 -0.20 0.48 -0.63 0.41 0.00 0.00 173.24 173.23 1jbj s ILE 12 N 1.31 5.13 -0.27 1.44 1.01 -1.26 -0.06 121.20 128.50 1jbj s ILE 12 Ca -0.08 0.86 0.02 0.00 0.00 0.00 0.00 60.65 61.44 1jbj s ILE 12 Cb -0.07 -3.80 0.07 0.00 0.01 0.00 0.00 42.46 38.67 1jbj s ILE 12 CO -0.13 0.19 -0.03 -0.44 0.00 0.00 0.00 174.94 174.53 1jbj s SER 13 N 1.18 4.23 -0.97 3.58 0.01 0.71 -4.87 113.70 117.57 1jbj s SER 13 Ca 0.22 -1.51 -0.12 0.00 1.31 0.00 0.00 55.95 55.85 1jbj s SER 13 Cb -0.15 -1.34 0.01 0.00 0.21 0.00 0.00 66.02 64.74 1jbj s SER 13 CO 0.09 -0.28 0.69 0.61 0.41 0.00 0.00 173.24 174.76 1jbj n GLY 14 N 4.53 -1.13 2.82 3.44 0.00 -1.26 -0.52 105.19 113.08 1jbj n GLY 14 Ca -0.08 0.50 -0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.35 0.00 -4.19 2.61 -1.04 -1.26 -4.86 114.28 102.19 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 -0.83 -0.16 0.00 -1.82 0.00 0.00 70.33 68.13 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 2.73 0.31 8.00 0.01 0.33 0.88 113.70 123.96 1jbj s SER 16 Ca 0.00 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 56.64 1jbj s SER 16 Cb 0.00 -1.22 -0.07 0.00 0.21 0.00 0.00 66.02 64.93 1jbj s SER 16 CO 0.00 -0.02 0.67 -0.69 0.41 0.00 0.00 173.24 173.61 1jbj s VAL 17 N 1.29 4.82 -0.15 3.43 1.01 0.28 0.25 120.40 131.34 1jbj s VAL 17 Ca 0.01 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1jbj s VAL 17 Cb -0.14 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1jbj s VAL 17 CO -0.08 -0.26 0.11 -0.70 0.00 0.00 0.00 175.10 174.17 1jbj s GLU 18 N -3.23 0.06 0.15 2.72 2.12 0.92 0.20 118.70 121.63 1jbj s GLU 18 Ca 0.50 0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.89 1jbj s GLU 18 Cb -0.11 -1.51 -0.04 0.00 0.26 0.00 0.00 34.13 32.74 1jbj s GLU 18 CO 0.24 -0.61 0.29 -0.51 -0.54 0.00 0.00 175.26 174.13 1jbj s LEU 19 N 2.18 4.32 -0.19 2.70 1.43 0.20 -1.85 118.68 127.47 1jbj s LEU 19 Ca 0.03 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1jbj s LEU 19 Cb -0.15 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.13 1jbj s LEU 19 CO -0.09 0.05 -0.19 -0.89 0.23 0.00 0.00 176.35 175.47 1jbj s THR 20 N -1.73 2.07 0.21 5.49 2.01 -0.36 -0.82 115.64 122.51 1jbj s THR 20 Ca 0.35 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 1jbj s THR 20 Cb -0.11 -1.92 -0.08 0.00 0.01 0.00 0.00 72.50 70.39 1jbj s THR 20 CO 0.28 0.45 0.94 0.00 -0.69 0.00 0.00 174.62 175.60 1jbj n PRO 22 N 1.73 0.34 -4.83 0.00 -0.02 -1.26 -4.56 135.00 126.39 1jbj n PRO 22 Ca -0.01 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1jbj n PRO 22 Cb 0.47 -1.50 -0.17 0.00 -0.02 0.00 0.00 33.50 32.29 1jbj n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jbj s LEU 23 N -2.04 2.04 1.08 2.45 1.43 -1.26 -4.18 118.68 118.20 1jbj s LEU 23 Ca 0.16 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 1jbj s LEU 23 Cb 0.08 -1.37 0.05 0.00 0.03 0.00 0.00 46.19 44.98 1jbj s LEU 23 CO 0.13 0.10 -0.29 0.47 0.23 0.00 0.00 176.35 176.99 1jbj n ASP 24 N 3.89 -2.59 -4.48 2.29 8.00 -1.26 -4.55 116.55 117.84 1jbj n ASP 24 Ca -0.20 -0.15 -0.43 0.00 0.71 0.00 0.00 54.79 54.73 1jbj n ASP 24 Cb 0.52 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.67 6.43 0.66 -2.24 1.04 -1.26 -4.63 113.70 112.03 1jbj s SER 25 Ca 0.48 -1.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.34 1jbj s SER 25 Cb -0.06 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.65 1jbj s SER 25 CO 0.61 -1.32 0.99 -1.81 0.98 0.00 0.00 173.24 172.68 1jbj s ASP 26 N 3.92 5.21 0.00 7.02 1.11 -1.26 -4.92 116.67 127.74 1jbj s ASP 26 Ca 0.32 0.67 0.00 0.00 0.18 0.00 0.00 52.55 53.73 1jbj s ASP 26 Cb -0.08 -1.48 0.00 0.00 1.07 0.00 0.00 42.92 42.44 1jbj s ASP 26 CO -0.02 -1.36 0.83 -0.62 1.18 0.00 0.00 175.17 175.18 1jbj n GLU 27 N -2.81 0.81 -0.45 8.23 1.02 -1.26 -2.36 120.64 123.82 1jbj n GLU 27 Ca 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1jbj n GLU 27 Cb 0.59 -1.10 -0.01 0.00 -0.02 0.00 0.00 31.44 30.91 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jbj n ASN 28 N 0.62 -0.09 -4.72 1.62 3.02 -1.26 -5.11 115.26 109.33 1jbj n ASN 28 Ca 0.00 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 1jbj n ASN 28 Cb 0.40 0.03 -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 4.43 0.10 3.41 2.96 -1.00 -4.28 118.68 124.31 1jbj s LEU 29 Ca 0.00 1.76 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1jbj s LEU 29 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1jbj s LEU 29 CO 0.00 -0.19 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.22 1jbj s LYS 30 N 0.52 0.83 0.45 1.98 3.01 -1.05 -2.12 119.74 123.37 1jbj s LYS 30 Ca 0.50 -1.27 0.03 0.00 -1.01 0.00 0.00 55.97 54.23 1jbj s LYS 30 Cb -0.23 -0.30 -0.04 0.00 -1.01 0.00 0.00 37.83 36.25 1jbj s LYS 30 CO 0.29 0.01 0.03 -1.58 0.51 0.00 0.00 175.35 174.61 1jbj s TRP 31 N -3.23 2.05 0.03 3.18 0.52 -1.16 -2.55 118.94 117.79 1jbj s TRP 31 Ca 0.09 -0.92 -0.20 0.00 0.02 0.00 0.00 56.10 55.10 1jbj s TRP 31 Cb 0.02 -1.57 0.04 0.00 -1.15 0.00 0.00 33.47 30.82 1jbj s TRP 31 CO -0.03 0.20 0.45 -1.21 0.02 0.00 0.00 176.95 176.38 1jbj s GLU 32 N -3.81 0.92 -0.08 4.98 2.02 -0.51 -0.45 118.70 121.78 1jbj s GLU 32 Ca 0.19 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1jbj s GLU 32 Cb 0.05 0.42 0.02 0.00 0.10 0.00 0.00 34.13 34.72 1jbj s GLU 32 CO 0.10 -0.31 -0.06 0.21 0.02 0.00 0.00 175.26 175.22 1jbj s LYS 33 N -2.17 1.17 1.23 1.61 2.36 0.91 -2.04 119.74 122.81 1jbj s LYS 33 Ca -0.07 -0.15 0.00 0.00 -2.55 0.00 0.00 55.97 53.19 1jbj s LYS 33 Cb -0.01 -1.25 0.00 0.00 -1.05 0.00 0.00 37.83 35.52 1jbj s LYS 33 CO 0.00 -0.19 0.00 0.09 1.55 0.00 0.00 175.35 176.80 1jbj n ASN 34 N 4.64 0.00 0.00 1.43 5.03 0.32 -1.29 115.26 125.39 1jbj n ASN 34 Ca -0.15 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1jbj n ASN 34 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jbj n GLY 35 N 0.00 0.00 3.88 7.41 0.00 -1.26 -4.95 105.19 110.26 1jbj n GLY 35 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.62 3.80 -0.13 1.61 1.11 -0.41 -5.08 119.66 118.94 1jbj s GLN 36 Ca 0.00 0.37 -0.05 0.00 0.01 0.00 0.00 55.36 55.68 1jbj s GLN 36 Cb 0.00 -2.51 -0.04 0.00 -1.01 0.00 0.00 33.01 29.45 1jbj s GLN 36 CO 0.00 0.14 0.07 -1.83 0.01 0.00 0.00 175.29 173.68 1jbj s GLU 37 N -3.35 3.48 -0.49 2.91 4.04 -1.26 -0.06 118.70 123.96 1jbj s GLU 37 Ca 0.49 -0.30 -0.17 0.00 0.04 0.00 0.00 54.97 55.04 1jbj s GLU 37 Cb -0.11 -3.07 0.07 0.00 0.02 0.00 0.00 34.13 31.05 1jbj s GLU 37 CO 0.26 0.58 0.50 -0.51 -1.84 0.00 0.00 175.26 174.24 1jbj s LEU 38 N -0.49 5.42 0.93 1.83 1.43 0.41 -4.92 118.68 123.29 1jbj s LEU 38 Ca 0.10 -1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 51.85 1jbj s LEU 38 Cb -0.12 -2.28 0.15 0.00 0.03 0.00 0.00 46.19 43.97 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 2.03 0.99 -2.04 1.29 0.04 -1.26 -2.96 135.00 133.09 1jbj s PRO 39 Ca 0.08 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1jbj s PRO 39 Cb -0.23 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jbj s PRO 39 CO 0.08 -2.25 0.00 1.04 0.04 0.00 0.00 177.00 175.91 1jbj n GLN 40 N -3.76 -1.35 -2.77 4.56 3.00 -1.26 -4.89 117.38 110.90 1jbj n GLN 40 Ca 0.09 1.17 -0.40 0.00 -0.01 0.00 0.00 57.00 57.85 1jbj n GLN 40 Cb 0.60 -5.50 0.01 0.00 0.00 0.00 0.00 30.24 25.35 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 -2.46 5.00 -1.02 -1.09 3.00 -1.25 -4.83 118.16 115.52 1jbj n LYS 41 Ca -0.19 -4.65 -0.16 0.00 -0.00 0.00 0.00 58.31 53.30 1jbj n LYS 41 Cb 0.64 -2.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.18 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 0.31 1.06 -4.80 5.64 1.44 -0.90 -3.20 115.22 114.78 1jbj n HIS 42 Ca 0.40 -1.73 -0.25 0.00 -2.01 0.00 0.00 57.72 54.13 1jbj n HIS 42 Cb 0.29 -1.11 -0.15 0.00 0.12 0.00 0.00 29.99 29.14 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 0.81 2.17 0.20 4.39 2.15 -1.26 -4.56 116.67 120.57 1jbj s ASP 43 Ca 0.40 -0.37 -0.07 0.00 0.43 0.00 0.00 52.55 52.94 1jbj s ASP 43 Cb 0.26 -0.22 0.14 0.00 -0.30 0.00 0.00 42.92 42.79 1jbj s ASP 43 CO -0.06 0.20 1.64 0.50 -0.17 0.00 0.00 175.17 177.28 1jbj h LYS 44 N 5.49 0.93 -4.97 4.34 3.64 -1.82 -3.41 116.57 120.77 1jbj h LYS 44 Ca -0.38 -0.33 -0.65 0.00 -1.27 0.00 0.00 60.65 58.02 1jbj h LYS 44 Cb 1.15 -0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 32.69 1jbj h LYS 44 CO 0.47 0.98 -0.61 -3.38 -2.27 0.00 0.00 179.45 174.64 1jbj s HIS 45 N -4.85 3.10 -0.15 1.91 -3.43 -1.26 0.76 115.29 111.38 1jbj s HIS 45 Ca -0.11 -0.34 -0.11 0.00 -0.80 0.00 0.00 55.06 53.70 1jbj s HIS 45 Cb 0.13 -2.24 -0.05 0.00 -1.43 0.00 0.00 32.58 29.00 1jbj s HIS 45 CO 0.85 -0.31 0.22 -1.17 -2.00 0.00 0.00 174.74 172.33 1jbj s LEU 46 N 1.55 4.28 -0.03 5.38 2.96 -0.00 -4.87 118.68 127.95 1jbj s LEU 46 Ca 0.06 0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1jbj s LEU 46 Cb -0.15 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1jbj s LEU 46 CO 0.04 0.20 0.03 -0.69 -1.32 0.00 0.00 176.35 174.62 1jbj s VAL 47 N 0.03 4.43 -0.45 1.68 1.01 -1.26 0.61 120.40 126.46 1jbj s VAL 47 Ca 0.14 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1jbj s VAL 47 Cb -0.12 -2.97 0.12 0.00 0.00 0.00 0.00 36.38 33.41 1jbj s VAL 47 CO 0.03 0.43 0.18 -0.76 0.00 0.00 0.00 175.10 174.98 1jbj s LEU 48 N -1.44 4.41 -0.19 3.92 1.43 0.54 -4.93 118.68 122.42 1jbj s LEU 48 Ca 0.19 -2.68 -0.29 0.00 -1.03 0.00 0.00 54.13 50.32 1jbj s LEU 48 Cb -0.12 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 1jbj s LEU 48 CO 0.09 -0.29 1.09 -1.10 0.23 0.00 0.00 176.35 176.38 1jbj s GLN 49 N 0.18 4.29 -0.30 1.70 -0.21 -1.26 0.10 119.66 124.16 1jbj s GLN 49 Ca 0.15 1.45 -0.00 0.00 0.02 0.00 0.00 55.36 56.97 1jbj s GLN 49 Cb -0.23 -3.64 -0.00 0.00 1.00 0.00 0.00 33.01 30.13 1jbj s GLN 49 CO -0.03 -0.58 0.28 -3.47 -2.12 0.00 0.00 175.29 169.37 1jbj n ASP 50 N 6.09 -4.17 -4.71 5.90 -0.08 0.26 -4.96 116.55 114.87 1jbj n ASP 50 Ca 0.12 -0.06 -0.39 0.00 -1.51 0.00 0.00 54.79 52.94 1jbj n ASP 50 Cb 0.46 -2.61 0.03 0.00 2.34 0.00 0.00 41.12 41.34 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 -1.41 2.07 -3.60 -0.67 7.35 -1.17 -4.97 117.46 115.06 1jbj n PHE 51 Ca -0.00 0.46 -0.40 0.00 -0.76 0.00 0.00 57.45 56.75 1jbj n PHE 51 Cb 0.51 -2.35 -0.08 0.00 0.35 0.00 0.00 39.48 37.92 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 -0.78 5.69 0.31 -2.13 0.01 -1.26 -4.67 113.70 110.87 1jbj s SER 52 Ca 0.67 -2.69 0.08 0.00 1.31 0.00 0.00 55.95 55.32 1jbj s SER 52 Cb -0.45 -1.96 0.50 0.00 0.21 0.00 0.00 66.02 64.31 1jbj s SER 52 CO 0.53 -0.46 1.72 -0.08 0.41 0.00 0.00 173.24 175.35 1jbj h GLU 53 N 7.40 0.17 -0.99 12.44 4.22 -1.68 -2.98 114.58 133.16 1jbj h GLU 53 Ca -0.01 -0.08 0.18 0.00 0.08 0.00 0.00 59.36 59.53 1jbj h GLU 53 Cb 0.99 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 1jbj h GLU 53 CO 0.74 0.57 0.62 0.28 -2.18 0.00 0.00 179.01 179.03 1jbj h VAL 54 N 0.14 0.74 -0.93 0.32 2.07 -1.88 0.62 116.25 117.33 1jbj h VAL 54 Ca 0.01 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.37 1jbj h VAL 54 Cb 0.81 -0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1jbj h VAL 54 CO 0.06 0.14 0.60 -0.33 0.02 0.00 0.00 177.57 178.06 1jbj h GLU 55 N 0.76 0.90 -5.33 1.57 5.08 -1.89 -3.45 114.58 112.22 1jbj h GLU 55 Ca 0.55 -0.05 -0.40 0.00 -1.00 0.00 0.00 59.36 58.46 1jbj h GLU 55 Cb 0.86 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1jbj h GLU 55 CO -0.33 0.60 -0.59 -3.47 -1.00 0.00 0.00 179.01 174.21 1jbj n ASP 56 N -4.55 -4.42 -2.67 1.42 -0.08 0.21 -4.85 116.55 101.61 1jbj n ASP 56 Ca 0.16 -0.42 -0.04 0.00 -1.51 0.00 0.00 54.79 52.99 1jbj n ASP 56 Cb 0.32 -3.61 0.05 0.00 2.34 0.00 0.00 41.12 40.22 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 -2.41 -1.43 -4.33 1.67 2.88 -1.26 -4.94 113.62 103.81 1jbj n SER 57 Ca -0.03 -1.43 -0.47 0.00 -1.33 0.00 0.00 58.87 55.62 1jbj n SER 57 Cb 0.56 0.75 -0.03 0.00 -0.75 0.00 0.00 64.21 64.75 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 0.30 2.56 -0.28 0.46 0.00 -1.05 -4.90 107.32 104.42 1jbj s GLY 58 Ca 0.25 -3.19 -0.19 0.00 0.00 0.00 0.00 44.72 41.60 1jbj s GLY 58 CO -0.10 1.25 0.56 -0.19 0.00 0.00 0.00 173.10 174.63 1jbj s TYR 59 N 0.42 3.25 0.21 1.90 2.02 -1.25 0.12 117.35 124.02 1jbj s TYR 59 Ca 0.15 0.63 0.09 0.00 -0.37 0.00 0.00 57.07 57.57 1jbj s TYR 59 Cb -0.14 -2.82 -0.05 0.00 -0.40 0.00 0.00 41.96 38.56 1jbj s TYR 59 CO -0.07 -0.35 -0.18 0.71 -1.57 0.00 0.00 175.55 174.10 1jbj s TYR 60 N 2.42 1.91 -0.03 2.71 2.02 0.27 0.12 117.35 126.76 1jbj s TYR 60 Ca 0.23 -0.47 -0.17 0.00 -0.37 0.00 0.00 57.07 56.29 1jbj s TYR 60 Cb -0.15 -0.90 0.03 0.00 -0.40 0.00 0.00 41.96 40.54 1jbj s TYR 60 CO 0.10 0.43 0.37 0.54 -1.57 0.00 0.00 175.55 175.43 1jbj s VAL 61 N -2.45 0.04 -0.05 0.71 0.11 -0.87 0.62 120.40 118.52 1jbj s VAL 61 Ca 0.21 -0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1jbj s VAL 61 Cb -0.04 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1jbj s VAL 61 CO 0.09 -0.20 0.11 0.00 -3.33 0.00 0.00 175.10 171.77 1jbj s TYR 63 N 1.20 -0.30 0.17 0.00 1.13 -1.06 -4.73 117.35 113.77 1jbj s TYR 63 Ca -0.08 -0.01 0.07 0.00 -1.41 0.00 0.00 57.07 55.63 1jbj s TYR 63 Cb -0.12 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.19 1jbj s TYR 63 CO -0.05 -0.92 -0.14 0.95 -2.51 0.00 0.00 175.55 172.89 1jbj s THR 64 N -3.83 1.52 0.14 -3.49 -4.23 -0.61 -2.53 115.64 102.62 1jbj s THR 64 Ca 0.06 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.32 1jbj s THR 64 Cb -0.01 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.97 1jbj s THR 64 CO -0.06 -0.57 1.67 -0.65 -0.54 0.00 0.00 174.62 174.47 1jbj h PRO 65 N 2.88 -0.13 0.00 3.99 0.11 -2.01 -0.74 132.00 136.10 1jbj h PRO 65 Ca -0.38 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 1jbj h PRO 65 Cb 1.21 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jbj h PRO 65 CO 0.59 -0.09 -0.10 0.00 -0.21 0.00 0.00 178.00 178.19 1jbj h ALA 66 N 1.00 1.08 -2.61 -0.75 0.00 -1.97 -3.35 119.26 112.67 1jbj h ALA 66 Ca 0.12 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.34 1jbj h ALA 66 Cb 0.31 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.69 1jbj h ALA 66 CO -0.29 0.12 -0.86 -1.12 0.00 0.00 0.00 179.25 177.11 1jbj s SER 67 N -5.91 2.58 -1.43 0.00 0.01 -0.37 -5.03 113.70 103.55 1jbj s SER 67 Ca -0.01 -2.93 -0.12 0.00 1.31 0.00 0.00 55.95 54.20 1jbj s SER 67 Cb 0.11 -0.69 0.06 0.00 0.21 0.00 0.00 66.02 65.71 1jbj s SER 67 CO 0.57 -0.20 2.24 -3.20 0.41 0.00 0.00 173.24 173.06 1jbj n ASN 68 N 3.08 4.95 -4.77 2.44 5.15 -0.69 -1.57 115.26 123.85 1jbj n ASN 68 Ca 0.21 -2.89 -0.39 0.00 -0.60 0.00 0.00 54.58 50.91 1jbj n ASN 68 Cb 0.42 -1.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.02 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1jbj s LYS 69 N 2.18 4.40 -0.39 1.20 2.20 -1.26 -5.00 119.74 123.06 1jbj s LYS 69 Ca 0.48 0.91 -0.16 0.00 -0.36 0.00 0.00 55.97 56.84 1jbj s LYS 69 Cb 0.14 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1jbj s LYS 69 CO -0.06 0.41 0.38 -0.80 -0.36 0.00 0.00 175.35 174.92 1jbj s ASN 70 N -0.44 6.17 -0.12 1.43 -0.87 -1.26 -4.61 114.94 115.24 1jbj s ASN 70 Ca 0.34 -0.59 -0.02 0.00 -1.57 0.00 0.00 52.86 51.02 1jbj s ASN 70 Cb -0.20 -2.20 0.04 0.00 -0.02 0.00 0.00 41.25 38.87 1jbj s ASN 70 CO 0.21 -0.47 0.01 0.28 -2.57 0.00 0.00 177.10 174.55 1jbj s THR 71 N 2.00 0.50 -0.45 1.60 -1.32 -1.26 -4.75 115.64 111.96 1jbj s THR 71 Ca 0.10 -0.17 -0.19 0.00 -1.21 0.00 0.00 61.69 60.22 1jbj s THR 71 Cb -0.17 -0.77 0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1jbj s THR 71 CO 0.12 0.10 0.57 -0.31 -2.21 0.00 0.00 174.62 172.90 1jbj s TYR 72 N 1.90 3.09 -0.32 9.09 2.02 -1.24 -4.34 117.35 127.56 1jbj s TYR 72 Ca 0.03 -0.28 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 1jbj s TYR 72 Cb -0.14 -3.25 -0.01 0.00 -0.40 0.00 0.00 41.96 38.16 1jbj s TYR 72 CO -0.07 -0.86 0.56 -1.17 -1.57 0.00 0.00 175.55 172.45 1jbj s LEU 73 N 2.55 4.21 -0.46 -1.29 1.98 0.20 -1.96 118.68 123.91 1jbj s LEU 73 Ca 0.17 0.24 -0.10 0.00 -2.89 0.00 0.00 54.13 51.55 1jbj s LEU 73 Cb -0.16 -2.69 0.11 0.00 0.66 0.00 0.00 46.19 44.10 1jbj s LEU 73 CO 0.15 -0.45 0.33 -0.47 -1.89 0.00 0.00 176.35 174.02 1jbj s TYR 74 N 2.48 3.39 -0.22 5.38 6.14 -0.70 0.94 117.35 134.75 1jbj s TYR 74 Ca 0.22 -1.72 -0.12 0.00 0.64 0.00 0.00 57.07 56.09 1jbj s TYR 74 Cb -0.15 -3.34 -0.05 0.00 0.42 0.00 0.00 41.96 38.84 1jbj s TYR 74 CO 0.12 -0.95 0.21 -1.17 0.64 0.00 0.00 175.55 174.41 1jbj s LEU 75 N 1.40 4.14 -0.21 6.97 0.20 0.12 -2.40 118.68 128.89 1jbj s LEU 75 Ca 0.05 0.23 -0.04 0.00 0.69 0.00 0.00 54.13 55.06 1jbj s LEU 75 Cb -0.25 -2.20 0.08 0.00 -0.43 0.00 0.00 46.19 43.39 1jbj s LEU 75 CO 0.00 0.05 0.16 -0.75 -0.29 0.00 0.00 176.35 175.53 1jbj s LYS 76 N 0.98 0.15 0.38 1.98 2.36 -0.11 -2.53 119.74 122.96 1jbj s LYS 76 Ca 0.10 -0.09 -0.11 0.00 -2.55 0.00 0.00 55.97 53.33 1jbj s LYS 76 Cb -0.13 -1.40 0.04 0.00 -1.05 0.00 0.00 37.83 35.28 1jbj s LYS 76 CO 0.04 -0.77 0.70 0.00 1.55 0.00 0.00 175.35 176.88 1jbj s ALA 77 N 2.21 -0.22 -0.05 3.13 0.00 -1.26 -2.54 121.76 123.02 1jbj s ALA 77 Ca 0.06 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1jbj s ALA 77 Cb -0.16 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1jbj s ALA 77 CO -0.18 -0.92 -0.10 0.50 0.00 0.00 0.00 175.76 175.06 1jbj s ARG 78 N -2.39 1.43 0.05 0.00 3.52 -1.26 -3.96 118.95 116.35 1jbj s ARG 78 Ca 0.20 -0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.51 1jbj s ARG 78 Cb -0.04 -1.23 -0.02 0.00 -1.56 0.00 0.00 34.95 32.10 1jbj s ARG 78 CO 0.15 0.02 -0.13 0.14 -0.81 0.00 0.00 175.30 174.67 1jbj s VAL 79 N 0.64 1.02 0.00 7.11 -7.23 -1.26 -5.08 120.40 115.59 1jbj s VAL 79 Ca -0.12 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1jbj s VAL 79 Cb -0.15 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.83 1jbj s VAL 79 CO 0.03 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1jbj n GLY 80 N 1.63 0.93 2.63 2.32 0.00 -1.26 -1.86 105.19 109.57 1jbj n GLY 80 Ca -0.20 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.64 7.51 -2.45 1.61 7.64 -1.26 -4.69 113.62 120.33 1jbj n SER 81 Ca 0.00 -3.56 -0.31 0.00 1.01 0.00 0.00 58.87 56.02 1jbj n SER 81 Cb 0.00 -1.21 0.03 0.00 -1.01 0.00 0.00 64.21 62.02 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 0.35 5.59 -2.66 -0.43 0.00 -0.78 -3.83 120.51 118.75 1jbj n ALA 82 Ca 0.51 -4.03 -0.01 0.00 0.00 0.00 0.00 53.44 49.92 1jbj n ALA 82 Cb 0.27 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 18.75 1jbj n ALA 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jbj n ASP 83 N -0.61 0.44 0.00 0.00 5.68 -1.26 -3.42 116.55 117.37 1jbj n ASP 83 Ca 0.47 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1jbj n ASP 83 Cb 0.63 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1jbj n ASP 83 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1jbj n ASP 84 N -0.62 0.00 -4.69 -1.12 8.00 -1.26 -5.03 116.55 111.84 1jbj n ASP 84 Ca -0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 1jbj n ASP 84 Cb 0.87 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 1jbj n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj n ALA 85 N 0.00 2.07 -2.82 2.24 0.00 -1.25 -4.92 120.51 115.83 1jbj n ALA 85 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.66 1jbj n ALA 85 Cb 0.00 -2.60 0.02 0.00 0.00 0.00 0.00 19.45 16.86 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 5.94 0.62 -0.02 0.00 0.00 -1.26 -4.87 118.16 118.57 1jbj n LYS 86 Ca 0.18 -2.05 -0.19 0.00 0.00 0.00 0.00 58.31 56.26 1jbj n LYS 86 Cb 0.38 -1.47 -0.13 0.00 0.00 0.00 0.00 35.03 33.80 1jbj n LYS 86 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1jbj h LYS 87 N 4.58 0.15 -5.01 1.64 3.64 -2.02 -3.44 116.57 116.12 1jbj h LYS 87 Ca -0.01 -0.25 -0.65 0.00 -1.27 0.00 0.00 60.65 58.47 1jbj h LYS 87 Cb 1.05 0.09 -0.16 0.00 -0.41 0.00 0.00 32.23 32.80 1jbj h LYS 87 CO 0.18 1.12 -0.30 0.16 -2.27 0.00 0.00 179.45 178.35 1jbj s ASP 88 N -6.76 6.18 -0.12 4.20 -4.77 -1.26 -5.03 116.67 109.11 1jbj s ASP 88 Ca -0.20 -0.05 -0.33 0.00 -3.30 0.00 0.00 52.55 48.68 1jbj s ASP 88 Cb 0.02 -2.19 0.13 0.00 -1.09 0.00 0.00 42.92 39.78 1jbj s ASP 88 CO 0.73 -0.26 1.15 0.00 0.70 0.00 0.00 175.17 177.49 1jbj s ALA 89 N 2.01 -2.03 -0.34 2.11 0.00 -1.26 -5.08 121.76 117.16 1jbj s ALA 89 Ca 0.12 1.33 0.16 0.00 0.00 0.00 0.00 51.96 53.57 1jbj s ALA 89 Cb -0.16 0.06 0.44 0.00 0.00 0.00 0.00 23.12 23.46 1jbj s ALA 89 CO 0.11 -0.68 1.02 0.00 0.00 0.00 0.00 175.76 176.20 1jbj n ALA 90 N -0.18 2.90 -3.64 0.00 0.00 -1.26 -5.08 120.51 113.24 1jbj n ALA 90 Ca -0.02 -2.78 -0.07 0.00 0.00 0.00 0.00 53.44 50.57 1jbj n ALA 90 Cb 0.59 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 1jbj n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jbj s LYS 91 N -2.43 0.52 -0.39 0.00 2.20 -1.26 -5.12 119.74 113.27 1jbj s LYS 91 Ca 0.27 0.76 0.03 0.00 -0.36 0.00 0.00 55.97 56.66 1jbj s LYS 91 Cb 0.44 0.18 0.16 0.00 -1.51 0.00 0.00 37.83 37.10 1jbj s LYS 91 CO 0.01 -0.09 0.31 0.21 -0.36 0.00 0.00 175.35 175.43 1jbj s LYS 92 N 0.86 0.75 0.27 4.03 2.20 -1.26 -5.12 119.74 121.47 1jbj s LYS 92 Ca -0.04 -1.67 -0.31 0.00 -0.36 0.00 0.00 55.97 53.60 1jbj s LYS 92 Cb -0.05 -1.26 -0.12 0.00 -1.51 0.00 0.00 37.83 34.90 1jbj s LYS 92 CO -0.11 -1.30 1.65 0.34 -0.36 0.00 0.00 175.35 175.57 1jbj s ASP 93 N 0.59 6.35 -0.51 1.43 -1.08 -1.26 -4.94 116.67 117.25 1jbj s ASP 93 Ca 0.26 2.95 0.06 0.00 -0.52 0.00 0.00 52.55 55.29 1jbj s ASP 93 Cb -0.08 -2.62 0.38 0.00 -1.46 0.00 0.00 42.92 39.13 1jbj s ASP 93 CO -0.10 -0.95 1.00 0.47 0.52 0.00 0.00 175.17 176.12 1jbj n ASP 94 N 2.76 4.36 -0.91 -0.34 9.92 -1.26 -5.09 116.55 125.99 1jbj n ASP 94 Ca 0.11 -3.65 0.00 0.00 -0.53 0.00 0.00 54.79 50.72 1jbj n ASP 94 Cb 0.36 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1jbj n ASP 94 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jbj n ALA 95 N -0.32 0.00 -1.42 2.24 0.00 -1.26 -5.03 120.51 114.72 1jbj n ALA 95 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1jbj n ALA 95 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.83 -3.88 -4.62 0.00 4.81 -1.26 -5.00 118.16 106.38 1jbj n LYS 96 Ca 0.00 2.96 -0.23 0.00 -0.87 0.00 0.00 58.31 60.17 1jbj n LYS 96 Cb 0.00 -3.55 -0.16 0.00 0.02 0.00 0.00 35.03 31.34 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 -4.76 1.32 -0.59 1.64 1.02 -1.26 -5.10 119.74 112.01 1jbj s LYS 97 Ca 0.00 -0.47 -0.26 0.00 0.02 0.00 0.00 55.97 55.26 1jbj s LYS 97 Cb 0.00 -1.20 0.04 0.00 -0.52 0.00 0.00 37.83 36.15 1jbj s LYS 97 CO 0.00 0.21 1.09 -0.51 -0.92 0.00 0.00 175.35 175.22 1jbj s ASP 98 N 0.01 6.35 -0.71 2.83 1.11 -1.26 -4.23 116.67 120.77 1jbj s ASP 98 Ca -0.01 -0.21 -0.01 0.00 0.18 0.00 0.00 52.55 52.50 1jbj s ASP 98 Cb -0.09 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1jbj s ASP 98 CO 0.01 -1.42 0.68 -0.67 1.18 0.00 0.00 175.17 174.95 1jbj n ASP 99 N 8.12 -7.71 0.00 0.27 -0.08 -1.26 -4.99 116.55 110.91 1jbj n ASP 99 Ca 0.04 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jbj n ASP 99 Cb 0.48 -5.24 0.00 0.00 2.34 0.00 0.00 41.12 38.70 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj n ALA 100 N -1.69 2.50 -3.50 -1.67 0.00 -1.26 -4.65 120.51 110.24 1jbj n ALA 100 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1jbj n ALA 100 Cb 0.50 0.33 -0.17 0.00 0.00 0.00 0.00 19.45 20.11 1jbj n ALA 100 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jbj s LYS 101 N -1.83 1.95 -0.02 0.00 1.02 -1.26 -4.41 119.74 115.18 1jbj s LYS 101 Ca 0.00 -0.49 -0.20 0.00 0.02 0.00 0.00 55.97 55.31 1jbj s LYS 101 Cb 0.00 -1.62 -0.12 0.00 -0.52 0.00 0.00 37.83 35.57 1jbj s LYS 101 CO 0.00 0.01 0.85 0.87 -0.92 0.00 0.00 175.35 176.15 1jbj h LYS 102 N 7.10 -0.52 -0.46 1.68 1.57 -1.97 -3.34 116.57 120.63 1jbj h LYS 102 Ca -0.29 0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.27 1jbj h LYS 102 Cb 1.19 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 33.46 1jbj h LYS 102 CO 0.47 -0.25 -0.02 -0.25 -0.57 0.00 0.00 179.45 178.83 1jbj n ASP 103 N -5.14 2.88 -0.30 0.86 9.92 -1.26 -4.89 116.55 118.61 1jbj n ASP 103 Ca -0.08 -3.78 -0.03 0.00 -0.53 0.00 0.00 54.79 50.36 1jbj n ASP 103 Cb 0.26 -0.65 -0.01 0.00 -0.64 0.00 0.00 41.12 40.08 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 -1.10 0.43 3.51 0.44 0.00 -1.26 -5.04 105.19 102.17 1jbj n GLY 104 Ca 0.38 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.91 4.47 -0.14 1.61 0.01 -1.26 -5.04 113.70 110.44 1jbj s SER 105 Ca 0.00 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 1jbj s SER 105 Cb 0.00 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 1jbj s SER 105 CO 0.00 0.29 1.70 -1.10 0.41 0.00 0.00 173.24 174.53 1jbj s GLN 106 N -0.36 3.92 -0.44 12.44 1.11 -1.26 -4.44 119.66 130.62 1jbj s GLN 106 Ca 0.05 1.95 0.07 0.00 0.01 0.00 0.00 55.36 57.44 1jbj s GLN 106 Cb -0.12 -4.05 0.33 0.00 -1.01 0.00 0.00 33.01 28.16 1jbj s GLN 106 CO 0.02 -1.16 1.10 -2.37 0.01 0.00 0.00 175.29 172.89 1jbj n THR 107 N 6.09 -0.00 -1.42 -0.19 5.66 -1.26 -5.13 114.28 118.04 1jbj n THR 107 Ca 0.19 -1.89 0.07 0.00 -3.05 0.00 0.00 64.05 59.37 1jbj n THR 107 Cb 0.44 1.23 -0.02 0.00 -1.55 0.00 0.00 70.33 70.43 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 0.25 -4.07 -3.27 1.09 3.02 -1.26 -4.91 115.26 106.11 1jbj n ASN 108 Ca 0.07 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1jbj n ASN 108 Cb 0.71 -1.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 1jbj n ASN 108 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1jbj s LYS 109 N -1.07 0.51 0.00 3.52 -2.85 -1.26 -4.69 119.74 113.90 1jbj s LYS 109 Ca 0.00 0.96 0.00 0.00 -1.00 0.00 0.00 55.97 55.93 1jbj s LYS 109 Cb 0.00 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1jbj s LYS 109 CO 0.00 -0.56 0.00 0.00 0.10 0.00 0.00 175.35 174.89 1jbj n ALA 110 N 5.42 0.00 -2.16 0.59 0.00 -1.26 -4.72 120.51 118.38 1jbj n ALA 110 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 1jbj n ALA 110 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1jbj n ALA 110 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jbj s LYS 111 N 0.00 4.57 -0.85 0.00 -0.14 -1.26 -5.00 119.74 117.06 1jbj s LYS 111 Ca 0.00 1.17 0.01 0.00 -1.36 0.00 0.00 55.97 55.79 1jbj s LYS 111 Cb 0.00 -3.31 0.30 0.00 -1.68 0.00 0.00 37.83 33.14 1jbj s LYS 111 CO 0.00 0.42 1.26 0.09 -0.76 0.00 0.00 175.35 176.37 1jbj n ASN 112 N 2.17 5.56 -3.47 2.83 3.02 -1.26 -4.95 115.26 119.16 1jbj n ASN 112 Ca -0.03 -3.54 -0.11 0.00 -0.03 0.00 0.00 54.58 50.86 1jbj n ASN 112 Cb 0.49 -0.94 0.05 0.00 -0.61 0.00 0.00 39.78 38.77 1jbj n ASN 112 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1jbj n LEU 113 N 0.55 0.00 -4.78 3.41 7.94 -1.26 -4.82 117.00 118.04 1jbj n LEU 113 Ca 0.33 -1.24 -0.37 0.00 -1.11 0.00 0.00 56.01 53.62 1jbj n LEU 113 Cb 0.35 -0.28 -0.06 0.00 0.53 0.00 0.00 43.42 43.95 1jbj n LEU 113 CO 0.52 -0.68 0.61 -0.69 -1.11 0.00 0.00 177.39 176.04 1jbj s VAL 114 N -1.20 4.25 -0.08 1.96 1.01 -1.26 -4.91 120.40 120.18 1jbj s VAL 114 Ca 0.34 1.77 -0.03 0.00 0.00 0.00 0.00 61.98 64.06 1jbj s VAL 114 Cb -0.02 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1jbj s VAL 114 CO 0.22 0.18 0.06 -1.58 0.00 0.00 0.00 175.10 173.99 1jbj s GLN 115 N -1.96 0.02 -0.16 2.72 0.74 -1.17 -5.03 119.66 114.82 1jbj s GLN 115 Ca 0.48 0.23 -0.02 0.00 0.05 0.00 0.00 55.36 56.10 1jbj s GLN 115 Cb -0.19 -0.90 -0.02 0.00 1.10 0.00 0.00 33.01 33.01 1jbj s GLN 115 CO 0.24 -0.42 -0.08 0.54 -0.55 0.00 0.00 175.29 175.02 1jbj s VAL 116 N 2.14 3.36 0.56 1.34 0.11 -1.26 0.08 120.40 126.73 1jbj s VAL 116 Ca 0.04 -0.54 -0.14 0.00 -2.93 0.00 0.00 61.98 58.41 1jbj s VAL 116 Cb -0.13 -2.46 -0.06 0.00 -1.53 0.00 0.00 36.38 32.20 1jbj s VAL 116 CO -0.05 0.49 1.01 -1.81 -3.33 0.00 0.00 175.10 171.41 1jbj s ASP 117 N 0.60 6.44 0.00 3.54 1.01 0.30 -4.84 116.67 123.72 1jbj s ASP 117 Ca -0.05 1.50 0.00 0.00 0.71 0.00 0.00 52.55 54.71 1jbj s ASP 117 Cb -0.15 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1jbj s ASP 117 CO 0.03 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.30 1jbj n GLY 118 N -2.11 -0.02 3.17 0.21 0.00 -1.25 -2.13 105.19 103.05 1jbj n GLY 118 Ca 0.06 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1jbj n GLY 118 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 119 N -1.87 5.65 -1.46 1.61 7.64 -1.26 -3.59 113.62 120.34 1jbj n SER 119 Ca 0.00 -3.20 0.07 0.00 1.01 0.00 0.00 58.87 56.76 1jbj n SER 119 Cb 0.00 -1.28 0.31 0.00 -1.01 0.00 0.00 64.21 62.23 1jbj n SER 119 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jbj n ARG 120 N 2.09 3.55 0.00 1.43 1.74 -1.26 -4.92 116.66 119.29 1jbj n ARG 120 Ca 0.25 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.87 1jbj n ARG 120 Cb 0.37 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 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 0.88 3.02 0.08 -0.13 0.00 -1.26 -4.67 105.19 103.10 1jbj n GLY 121 Ca 0.22 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.45 1jbj n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jbj n ASP 122 N 1.50 0.50 0.00 1.61 5.75 -1.26 -4.98 116.55 119.66 1jbj n ASP 122 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1jbj n ASP 122 Cb 0.00 0.81 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jbj n GLY 123 N 1.39 1.65 3.83 6.12 0.00 -1.26 -5.06 105.19 111.86 1jbj n GLY 123 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1jbj n GLY 123 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 124 N -2.00 6.95 -0.18 1.61 0.15 -1.24 -2.84 113.70 116.14 1jbj s SER 124 Ca 0.00 1.27 -0.07 0.00 0.70 0.00 0.00 55.95 57.85 1jbj s SER 124 Cb 0.00 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1jbj s SER 124 CO 0.00 0.05 0.06 -0.69 1.20 0.00 0.00 173.24 173.85 1jbj s VAL 125 N -1.53 4.72 -0.24 4.45 1.01 0.24 -3.77 120.40 125.27 1jbj s VAL 125 Ca 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1jbj s VAL 125 Cb -0.16 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.16 1jbj s VAL 125 CO 0.20 0.46 -0.02 -0.76 0.00 0.00 0.00 175.10 174.97 1jbj s LEU 126 N 0.43 2.52 -0.30 3.92 1.43 -0.91 -2.93 118.68 122.85 1jbj s LEU 126 Ca 0.03 -1.24 -0.23 0.00 -1.03 0.00 0.00 54.13 51.66 1jbj s LEU 126 Cb -0.13 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 1jbj s LEU 126 CO 0.01 -0.27 0.77 -0.22 0.23 0.00 0.00 176.35 176.87 1jbj s LEU 127 N 1.43 4.09 0.01 1.79 0.20 -0.65 0.11 118.68 125.66 1jbj s LEU 127 Ca -0.03 0.69 -0.01 0.00 0.69 0.00 0.00 54.13 55.48 1jbj s LEU 127 Cb -0.19 -3.06 -0.04 0.00 -0.43 0.00 0.00 46.19 42.48 1jbj s LEU 127 CO -0.08 -0.58 0.11 0.42 -0.29 0.00 0.00 176.35 175.93 1jbj s THR 128 N 2.89 4.90 0.00 3.68 -4.23 0.11 0.23 115.64 123.22 1jbj s THR 128 Ca 0.32 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1jbj s THR 128 Cb -0.14 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1jbj s THR 128 CO 0.12 0.31 0.00 0.00 -0.54 0.00 0.00 174.62 174.51 1jbj n GLY 130 N 0.00 2.53 2.63 0.00 0.00 -1.26 -4.58 105.19 104.51 1jbj n GLY 130 Ca 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.93 -1.69 0.99 7.99 -1.26 -3.14 117.00 114.96 1jbj n LEU 131 Ca 0.00 -0.25 -0.19 0.00 -0.01 0.00 0.00 56.01 55.56 1jbj n LEU 131 Cb 0.00 -2.48 -0.07 0.00 -0.11 0.00 0.00 43.42 40.76 1jbj n LEU 131 CO 0.00 -0.38 -0.19 0.35 -1.51 0.00 0.00 177.39 175.66 1jbj n THR 132 N -2.06 -0.15 -3.17 -5.08 -2.24 -1.26 -4.94 114.28 95.37 1jbj n THR 132 Ca -0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 1jbj n THR 132 Cb 0.54 -1.92 -0.06 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.48 6.97 0.00 3.42 1.01 -1.19 -4.95 116.67 119.45 1jbj s ASP 133 Ca 0.00 1.32 0.30 0.00 0.71 0.00 0.00 52.55 54.87 1jbj s ASP 133 Cb 0.00 -2.38 1.43 0.00 1.01 0.00 0.00 42.92 42.98 1jbj s ASP 133 CO 0.00 0.02 2.01 2.29 0.21 0.00 0.00 175.17 179.70 1jbj n LYS 134 N 0.62 0.30 -4.26 8.23 2.85 -1.26 -4.70 118.16 119.94 1jbj n LYS 134 Ca -0.02 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.04 1jbj n LYS 134 Cb 0.51 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.23 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 -2.70 0.64 -0.04 0.58 2.01 -1.26 -5.09 115.64 109.79 1jbj s THR 135 Ca 0.24 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1jbj s THR 135 Cb 0.20 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 72.09 1jbj s THR 135 CO 0.48 0.24 0.09 -0.63 -0.69 0.00 0.00 174.62 174.11 1jbj s ILE 136 N 0.65 -0.00 -0.19 1.82 1.01 -1.26 -3.30 121.20 119.92 1jbj s ILE 136 Ca -0.10 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 1jbj s ILE 136 Cb -0.13 -0.14 0.07 0.00 0.01 0.00 0.00 42.46 42.27 1jbj s ILE 136 CO 0.01 0.01 0.09 -0.75 0.00 0.00 0.00 174.94 174.29 1jbj s LYS 137 N 0.14 0.16 0.10 2.79 2.20 -0.76 -4.97 119.74 119.41 1jbj s LYS 137 Ca -0.01 -0.21 -0.13 0.00 -0.36 0.00 0.00 55.97 55.26 1jbj s LYS 137 Cb -0.02 -1.76 -0.06 0.00 -1.51 0.00 0.00 37.83 34.48 1jbj s LYS 137 CO -0.00 -0.73 0.48 -0.46 -0.36 0.00 0.00 175.35 174.28 1jbj s TRP 138 N 2.09 3.63 0.22 4.03 -0.11 -1.26 -0.10 118.94 127.44 1jbj s TRP 138 Ca 0.03 0.97 0.07 0.00 1.22 0.00 0.00 56.10 58.39 1jbj s TRP 138 Cb -0.16 -2.29 -0.05 0.00 -1.50 0.00 0.00 33.47 29.46 1jbj s TRP 138 CO -0.14 0.50 -0.11 -0.51 -4.62 0.00 0.00 176.95 172.07 1jbj s LEU 139 N -1.76 2.51 -0.13 5.86 1.02 0.24 -2.50 118.68 123.92 1jbj s LEU 139 Ca 0.34 -1.07 -0.03 0.00 0.02 0.00 0.00 54.13 53.39 1jbj s LEU 139 Cb -0.15 -0.62 0.05 0.00 0.02 0.00 0.00 46.19 45.48 1jbj s LEU 139 CO 0.18 -0.24 0.04 -0.75 0.02 0.00 0.00 176.35 175.59 1jbj s LYS 140 N -3.69 0.46 -0.82 1.70 2.20 0.33 -2.52 119.74 117.40 1jbj s LYS 140 Ca 0.24 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1jbj s LYS 140 Cb 0.01 -1.49 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 1jbj s LYS 140 CO 0.08 -0.49 0.00 -0.25 -0.36 0.00 0.00 175.35 174.33 1jbj n ASP 141 N 5.15 -3.18 0.00 1.43 9.92 -1.26 0.62 116.55 129.23 1jbj n ASP 141 Ca -0.07 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 1jbj n ASP 141 Cb 0.49 -2.76 0.00 0.00 -0.64 0.00 0.00 41.12 38.21 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 -0.70 0.77 3.09 0.44 0.00 -1.26 -5.08 105.19 102.44 1jbj n GLY 142 Ca -0.11 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.35 2.17 0.06 1.61 0.15 0.20 -5.11 113.70 110.43 1jbj s SER 143 Ca 0.00 -0.38 -0.31 0.00 0.70 0.00 0.00 55.95 55.97 1jbj s SER 143 Cb 0.00 -0.97 -0.07 0.00 -1.71 0.00 0.00 66.02 63.27 1jbj s SER 143 CO 0.00 0.08 1.43 -0.63 1.20 0.00 0.00 173.24 175.31 1jbj s ILE 144 N 0.53 3.44 -0.23 6.45 1.09 -1.26 0.12 121.20 131.34 1jbj s ILE 144 Ca -0.15 0.95 -0.04 0.00 -1.10 0.00 0.00 60.65 60.30 1jbj s ILE 144 Cb -0.16 -3.61 0.08 0.00 -1.06 0.00 0.00 42.46 37.71 1jbj s ILE 144 CO 0.05 0.03 0.10 -0.51 -0.10 0.00 0.00 174.94 174.51 1jbj s ILE 145 N 1.83 0.06 0.04 2.92 2.07 -1.04 -4.90 121.20 122.18 1jbj s ILE 145 Ca 0.65 -0.52 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1jbj s ILE 145 Cb -0.35 -0.86 -0.02 0.00 0.13 0.00 0.00 42.46 41.36 1jbj s ILE 145 CO 0.29 -0.47 -0.10 -0.94 -1.91 0.00 0.00 174.94 171.81 1jbj s SER 146 N 2.05 1.09 0.39 4.50 1.04 -1.26 -4.45 113.70 117.05 1jbj s SER 146 Ca 0.05 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 1jbj s SER 146 Cb -0.16 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1jbj s SER 146 CO -0.21 -0.13 0.67 -2.16 0.98 0.00 0.00 173.24 172.39 1jbj s PRO 147 N -1.43 3.59 -0.24 4.02 0.04 -1.26 -5.01 135.00 134.71 1jbj s PRO 147 Ca -0.06 0.07 0.12 0.00 0.04 0.00 0.00 61.00 61.17 1jbj s PRO 147 Cb -0.09 -2.51 0.47 0.00 0.04 0.00 0.00 34.50 32.40 1jbj s PRO 147 CO 0.01 0.01 1.37 -0.11 0.04 0.00 0.00 177.00 178.32 1jbj n LEU 148 N -1.65 3.60 -0.87 -3.56 -0.00 -1.26 -4.50 117.00 108.75 1jbj n LEU 148 Ca -0.01 -3.57 -0.04 0.00 -0.00 0.00 0.00 56.01 52.39 1jbj n LEU 148 Cb 0.55 -0.57 -0.04 0.00 -0.00 0.00 0.00 43.42 43.36 1jbj n LEU 148 CO 0.50 1.11 0.29 0.59 -0.00 0.00 0.00 177.39 179.88 1jbj n ASN 149 N -1.05 -0.50 -3.55 1.96 3.02 -1.26 -5.12 115.26 108.76 1jbj n ASN 149 Ca 0.26 -1.70 -0.17 0.00 -0.03 0.00 0.00 54.58 52.94 1jbj n ASN 149 Cb 0.90 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 40.15 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 -1.78 -0.06 5.41 0.00 -1.26 -5.06 121.76 119.01 1jbj s ALA 150 Ca 0.03 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.50 1jbj s ALA 150 Cb 0.03 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.94 1jbj s ALA 150 CO -0.01 -0.36 0.62 -2.37 0.00 0.00 0.00 175.76 173.64 1jbj n THR 151 N 1.30 0.00 -1.50 0.00 5.66 -1.26 -4.75 114.28 113.73 1jbj n THR 151 Ca -0.18 -0.18 -0.27 0.00 -3.05 0.00 0.00 64.05 60.37 1jbj n THR 151 Cb 0.57 0.42 -0.05 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.27 2.41 -1.74 1.09 4.81 -1.26 -4.71 118.16 118.48 1jbj n LYS 152 Ca -0.09 -2.39 -0.11 0.00 -0.87 0.00 0.00 58.31 54.85 1jbj n LYS 152 Cb 0.53 -2.14 -0.03 0.00 0.02 0.00 0.00 35.03 33.41 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 0.78 -3.04 -4.59 3.14 0.23 -1.26 -4.90 115.26 105.61 1jbj n ASN 153 Ca 0.49 0.25 -0.28 0.00 -0.53 0.00 0.00 54.58 54.51 1jbj n ASN 153 Cb 0.54 -2.80 -0.10 0.00 -2.08 0.00 0.00 39.78 35.33 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 -2.13 1.62 -0.02 5.53 -4.23 -1.26 -1.51 115.64 113.64 1jbj s THR 154 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1jbj s THR 154 Cb 0.00 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 71.09 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 -2.87 0.67 -0.35 3.99 -0.00 0.61 -4.78 118.94 116.20 1jbj s TRP 155 Ca 0.29 -0.15 -0.26 0.00 -0.00 0.00 0.00 56.10 55.98 1jbj s TRP 155 Cb 0.08 -0.52 0.01 0.00 -0.00 0.00 0.00 33.47 33.04 1jbj s TRP 155 CO 0.14 -0.10 0.91 1.21 -0.00 0.00 0.00 176.95 179.12 1jbj s ASN 156 N 0.37 6.70 -0.18 5.86 3.84 -1.26 -1.64 114.94 128.62 1jbj s ASN 156 Ca -0.05 0.63 0.02 0.00 0.21 0.00 0.00 52.86 53.67 1jbj s ASN 156 Cb -0.09 -2.46 -0.12 0.00 -0.55 0.00 0.00 41.25 38.03 1jbj s ASN 156 CO -0.00 -0.81 -0.16 0.18 -2.79 0.00 0.00 177.10 173.52 1jbj n LEU 157 N 6.67 2.92 0.00 3.21 4.77 -1.15 -5.01 117.00 128.40 1jbj n LEU 157 Ca 0.07 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1jbj n LEU 157 Cb 0.48 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1jbj n LEU 157 CO 0.57 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 1jbj n GLY 158 N 2.61 0.27 3.54 -0.72 0.00 -1.25 -3.87 105.19 105.77 1jbj n GLY 158 Ca -0.32 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 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 6.23 0.52 1.61 3.04 -1.26 -0.60 114.94 120.48 1jbj s ASN 159 Ca 0.00 -0.22 0.42 0.00 0.04 0.00 0.00 52.86 53.10 1jbj s ASN 159 Cb 0.00 -2.22 1.61 0.00 -1.54 0.00 0.00 41.25 39.09 1jbj s ASN 159 CO 0.00 -0.42 1.64 -0.55 -3.04 0.00 0.00 177.10 174.74 1jbj h ASN 160 N 8.50 0.07 -0.67 -4.21 7.08 -1.88 1.01 115.58 125.48 1jbj h ASN 160 Ca -0.29 0.04 -0.00 0.00 -3.08 0.00 0.00 56.30 52.97 1jbj h ASN 160 Cb 1.13 0.03 -0.03 0.00 -2.08 0.00 0.00 38.32 37.37 1jbj h ASN 160 CO 0.73 -0.04 0.41 0.00 -2.08 0.00 0.00 177.43 176.45 1jbj h ALA 161 N 1.26 1.44 -0.26 4.14 0.00 -1.86 -3.37 119.26 120.61 1jbj h ALA 161 Ca 0.82 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 55.40 1jbj h ALA 161 Cb 3.08 -0.28 -0.17 0.00 0.00 0.00 0.00 17.79 20.42 1jbj h ALA 161 CO -0.12 0.49 -0.55 1.17 0.00 0.00 0.00 179.25 180.24 1jbj n LYS 162 N -4.40 0.76 -4.19 0.00 3.00 0.33 -4.83 118.16 108.83 1jbj n LYS 162 Ca 0.07 -1.90 -0.15 0.00 -0.00 0.00 0.00 58.31 56.33 1jbj n LYS 162 Cb 0.07 -1.45 -0.11 0.00 0.00 0.00 0.00 35.03 33.54 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 -1.50 1.56 0.24 3.14 -4.77 -0.02 -4.51 116.67 110.82 1jbj s ASP 163 Ca 0.32 -0.80 -0.31 0.00 -3.30 0.00 0.00 52.55 48.45 1jbj s ASP 163 Cb 0.21 -0.01 -0.12 0.00 -1.09 0.00 0.00 42.92 41.91 1jbj s ASP 163 CO -0.23 -0.23 1.69 -0.81 0.70 0.00 0.00 175.17 176.29 1jbj n PRO 164 N 0.58 2.78 -3.34 2.11 -0.04 -1.25 -4.95 135.00 130.89 1jbj n PRO 164 Ca -0.16 1.00 -0.14 0.00 -0.04 0.00 0.00 63.50 64.15 1jbj n PRO 164 Cb 0.57 -2.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 1jbj n PRO 164 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1jbj n ARG 165 N 3.41 0.84 0.00 0.54 1.85 -1.26 -4.91 116.66 117.13 1jbj n ARG 165 Ca 0.14 -1.91 0.00 0.00 -1.00 0.00 0.00 57.85 55.08 1jbj n ARG 165 Cb 0.36 0.95 0.00 0.00 -1.05 0.00 0.00 32.46 32.72 1jbj n ARG 165 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jbj n GLY 166 N 0.79 0.66 3.77 2.89 0.00 -1.07 -4.96 105.19 107.26 1jbj n GLY 166 Ca -0.04 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.57 4.60 -0.03 2.61 -4.23 -1.25 0.51 115.64 116.27 1jbj s THR 167 Ca 0.00 1.53 0.00 0.00 -1.18 0.00 0.00 61.69 62.04 1jbj s THR 167 Cb 0.00 -4.06 0.03 0.00 1.34 0.00 0.00 72.50 69.81 1jbj s THR 167 CO 0.00 0.48 -0.00 -0.31 -0.54 0.00 0.00 174.62 174.25 1jbj s TYR 168 N -0.77 0.39 -0.05 3.99 1.51 0.23 -4.28 117.35 118.36 1jbj s TYR 168 Ca 0.34 -0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 1jbj s TYR 168 Cb -0.21 -0.47 -0.00 0.00 -0.11 0.00 0.00 41.96 41.17 1jbj s TYR 168 CO 0.23 -0.15 -0.19 1.14 -1.11 0.00 0.00 175.55 175.47 1jbj s GLN 169 N 1.10 2.05 0.36 -0.62 -2.07 -1.05 0.12 119.66 119.55 1jbj s GLN 169 Ca -0.09 -0.67 0.08 0.00 -1.82 0.00 0.00 55.36 52.87 1jbj s GLN 169 Cb -0.14 -1.73 -0.05 0.00 -1.09 0.00 0.00 33.01 30.01 1jbj s GLN 169 CO -0.02 0.24 0.11 0.00 -1.32 0.00 0.00 175.29 174.30 1jbj s GLN 171 N -3.82 0.25 0.21 0.00 0.74 0.86 -1.32 119.66 116.56 1jbj s GLN 171 Ca 0.38 -0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.59 1jbj s GLN 171 Cb -0.00 -1.85 -0.03 0.00 1.10 0.00 0.00 33.01 32.23 1jbj s GLN 171 CO 0.22 -0.70 0.33 0.20 -0.55 0.00 0.00 175.29 174.79 1jbj s GLY 172 N 2.05 1.41 0.10 2.59 0.00 0.33 -1.82 107.32 111.98 1jbj s GLY 172 Ca 0.02 -1.15 -0.19 0.00 0.00 0.00 0.00 44.72 43.40 1jbj s GLY 172 CO -0.12 -1.16 0.99 0.00 0.00 0.00 0.00 173.10 172.82 1jbj n ALA 173 N -1.07 -0.40 -0.79 3.20 0.00 -1.21 -2.06 120.51 118.19 1jbj n ALA 173 Ca -0.08 0.53 0.03 0.00 0.00 0.00 0.00 53.44 53.92 1jbj n ALA 173 Cb 0.56 -0.07 0.05 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 -4.71 1.54 -3.55 0.00 4.81 -1.26 -4.97 118.16 110.02 1jbj n LYS 174 Ca 0.01 -1.62 -0.23 0.00 -0.87 0.00 0.00 58.31 55.61 1jbj n LYS 174 Cb 0.16 -1.01 -0.15 0.00 0.02 0.00 0.00 35.03 34.05 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1jbj s GLU 175 N -1.30 0.13 -0.20 1.64 0.41 -0.87 -5.13 118.70 113.38 1jbj s GLU 175 Ca 0.10 -0.00 -0.05 0.00 -0.41 0.00 0.00 54.97 54.61 1jbj s GLU 175 Cb 0.09 -1.50 -0.03 0.00 -1.78 0.00 0.00 34.13 30.92 1jbj s GLU 175 CO 0.01 -0.70 0.01 0.99 -0.49 0.00 0.00 175.26 175.08 1jbj s THR 176 N 2.22 4.10 0.15 3.63 2.01 -1.26 0.12 115.64 126.61 1jbj s THR 176 Ca 0.05 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.63 1jbj s THR 176 Cb -0.16 -2.85 -0.07 0.00 0.01 0.00 0.00 72.50 69.43 1jbj s THR 176 CO -0.13 0.43 0.57 -0.55 -0.69 0.00 0.00 174.62 174.25 1jbj s SER 177 N 0.90 6.85 0.58 3.53 0.15 -0.44 -4.92 113.70 120.36 1jbj s SER 177 Ca 0.02 1.12 -0.08 0.00 0.70 0.00 0.00 55.95 57.70 1jbj s SER 177 Cb -0.14 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1jbj s SER 177 CO 0.02 0.10 0.93 0.20 1.20 0.00 0.00 173.24 175.69 1jbj s ASN 178 N -1.70 6.03 -0.07 5.45 0.02 -1.26 -2.38 114.94 121.02 1jbj s ASN 178 Ca 0.38 1.09 -0.34 0.00 -1.02 0.00 0.00 52.86 52.97 1jbj s ASN 178 Cb -0.15 -2.19 -0.12 0.00 0.02 0.00 0.00 41.25 38.81 1jbj s ASN 178 CO 0.19 -0.86 1.87 -2.65 0.02 0.00 0.00 177.10 175.68 1jbj n PRO 179 N -2.58 2.21 -4.92 -0.60 -0.02 -1.24 -4.43 135.00 123.42 1jbj n PRO 179 Ca 0.04 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 1jbj n PRO 179 Cb 0.55 -2.66 -0.13 0.00 -0.02 0.00 0.00 33.50 31.25 1jbj n PRO 179 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1jbj s LEU 180 N 3.96 2.69 -0.60 2.45 0.05 0.33 -3.65 118.68 123.90 1jbj s LEU 180 Ca 0.92 -0.21 -0.24 0.00 0.05 0.00 0.00 54.13 54.65 1jbj s LEU 180 Cb -0.68 -1.54 0.05 0.00 -2.05 0.00 0.00 46.19 41.97 1jbj s LEU 180 CO 0.51 0.34 0.96 -1.58 -0.55 0.00 0.00 176.35 176.04 1jbj s GLN 181 N -0.73 3.24 -0.60 1.48 0.74 -0.83 0.75 119.66 123.71 1jbj s GLN 181 Ca 0.11 -0.47 -0.22 0.00 0.05 0.00 0.00 55.36 54.83 1jbj s GLN 181 Cb -0.11 -4.12 0.06 0.00 1.10 0.00 0.00 33.01 29.94 1jbj s GLN 181 CO 0.00 -1.64 0.89 0.08 -0.55 0.00 0.00 175.29 174.08 1jbj s VAL 182 N 4.08 4.46 -0.19 1.34 1.01 0.18 -1.72 120.40 129.56 1jbj s VAL 182 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1jbj s VAL 182 Cb -0.14 -4.57 0.02 0.00 0.00 0.00 0.00 36.38 31.69 1jbj s VAL 182 CO 0.16 -1.24 -0.17 -0.47 0.00 0.00 0.00 175.10 173.38 1jbj s TYR 183 N 3.72 2.82 0.37 5.22 6.14 -1.01 -2.61 117.35 131.99 1jbj s TYR 183 Ca 0.23 -1.55 0.06 0.00 0.64 0.00 0.00 57.07 56.45 1jbj s TYR 183 Cb -0.17 -1.95 -0.07 0.00 0.42 0.00 0.00 41.96 40.19 1jbj s TYR 183 CO 0.13 -0.77 0.00 0.71 0.64 0.00 0.00 175.55 176.26 1jbj s TYR 184 N 1.32 2.30 -0.31 4.97 1.51 -1.23 -0.94 117.35 124.98 1jbj s TYR 184 Ca 0.05 -0.73 -0.11 0.00 -1.01 0.00 0.00 57.07 55.27 1jbj s TYR 184 Cb -0.13 -1.53 0.19 0.00 -0.11 0.00 0.00 41.96 40.37 1jbj s TYR 184 CO -0.11 0.33 1.07 0.50 -1.11 0.00 0.00 175.55 176.23 1jbj s ARG 185 N -3.75 0.13 0.00 -0.62 3.52 -1.05 -4.90 118.95 112.29 1jbj s ARG 185 Ca 0.34 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 1jbj s ARG 185 Cb 0.08 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 1jbj s ARG 185 CO 0.17 -0.23 0.00 -0.12 -0.81 0.00 0.00 175.30 174.31