#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 1.49 -1.44 -2.24 8.00 -1.26 -5.12 116.55 115.98 1jbj n ASP 2 Ca 0.00 -2.19 0.09 0.00 0.71 0.00 0.00 54.79 53.40 1jbj n ASP 2 Cb 0.00 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj n ALA 3 N -0.48 -2.86 -1.98 2.24 0.00 -1.26 -4.96 120.51 111.22 1jbj n ALA 3 Ca 0.07 0.71 -0.23 0.00 0.00 0.00 0.00 53.44 53.99 1jbj n ALA 3 Cb 0.81 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 -4.76 2.03 -0.38 0.00 2.02 -1.26 -4.78 118.70 111.57 1jbj s GLU 4 Ca 0.00 -0.90 -0.07 0.00 0.02 0.00 0.00 54.97 54.02 1jbj s GLU 4 Cb 0.00 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.87 1jbj s GLU 4 CO 0.00 -1.17 0.45 -1.71 0.02 0.00 0.00 175.26 172.85 1jbj n ASN 5 N -2.67 -6.16 -4.86 -0.19 2.85 -1.26 -5.07 115.26 97.89 1jbj n ASN 5 Ca 0.12 0.22 -0.26 0.00 -0.11 0.00 0.00 54.58 54.56 1jbj n ASN 5 Cb 0.60 -4.08 -0.03 0.00 1.24 0.00 0.00 39.78 37.51 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 -2.45 1.89 0.17 -1.44 -1.09 -1.26 -5.14 121.20 111.88 1jbj s ILE 6 Ca 0.11 -1.53 0.04 0.00 -2.23 0.00 0.00 60.65 57.04 1jbj s ILE 6 Cb -0.03 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1jbj s ILE 6 CO 0.54 0.00 0.22 -0.70 -1.23 0.00 0.00 174.94 173.77 1jbj s GLU 7 N -4.17 3.18 0.62 2.79 2.56 -1.26 -4.78 118.70 117.64 1jbj s GLU 7 Ca 0.36 -0.76 -0.19 0.00 0.00 0.00 0.00 54.97 54.38 1jbj s GLU 7 Cb -0.01 -2.80 -0.02 0.00 2.00 0.00 0.00 34.13 33.30 1jbj s GLU 7 CO 0.21 0.49 1.28 0.71 -0.56 0.00 0.00 175.26 177.39 1jbj s TYR 8 N -1.79 2.20 -0.22 5.30 1.51 -1.26 -4.82 117.35 118.27 1jbj s TYR 8 Ca 0.33 1.48 0.02 0.00 -1.01 0.00 0.00 57.07 57.88 1jbj s TYR 8 Cb -0.10 -3.65 0.04 0.00 -0.11 0.00 0.00 41.96 38.15 1jbj s TYR 8 CO 0.26 -2.71 -0.12 0.21 -1.11 0.00 0.00 175.55 172.08 1jbj s LYS 9 N -3.30 2.26 -0.17 -0.62 2.20 -1.03 -4.89 119.74 114.20 1jbj s LYS 9 Ca 0.80 -1.01 -0.08 0.00 -0.36 0.00 0.00 55.97 55.31 1jbj s LYS 9 Cb -0.36 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1jbj s LYS 9 CO 0.39 -0.44 0.11 0.08 -0.36 0.00 0.00 175.35 175.12 1jbj s VAL 10 N 1.28 5.21 -0.20 4.02 1.01 -1.26 -0.14 120.40 130.31 1jbj s VAL 10 Ca -0.03 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 1jbj s VAL 10 Cb -0.17 -3.33 0.07 0.00 0.00 0.00 0.00 36.38 32.96 1jbj s VAL 10 CO -0.08 0.51 0.48 -0.44 0.00 0.00 0.00 175.10 175.57 1jbj s SER 11 N -0.11 -0.60 -0.25 3.32 0.01 -0.70 -4.96 113.70 110.41 1jbj s SER 11 Ca 0.09 1.08 -0.09 0.00 1.31 0.00 0.00 55.95 58.34 1jbj s SER 11 Cb -0.12 1.06 -0.04 0.00 0.21 0.00 0.00 66.02 67.14 1jbj s SER 11 CO 0.00 -0.21 0.11 -0.63 0.41 0.00 0.00 173.24 172.93 1jbj s ILE 12 N 1.70 4.76 -0.17 1.44 1.09 -1.26 0.11 121.20 128.87 1jbj s ILE 12 Ca -0.08 -0.02 0.01 0.00 -1.10 0.00 0.00 60.65 59.45 1jbj s ILE 12 Cb -0.08 -3.23 0.03 0.00 -1.06 0.00 0.00 42.46 38.12 1jbj s ILE 12 CO -0.15 0.33 -0.14 -0.44 -0.10 0.00 0.00 174.94 174.44 1jbj s SER 13 N 1.46 3.05 -1.11 3.58 0.01 0.56 -4.82 113.70 116.41 1jbj s SER 13 Ca 0.06 -0.67 -0.14 0.00 1.31 0.00 0.00 55.95 56.51 1jbj s SER 13 Cb -0.15 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 1jbj s SER 13 CO 0.06 -0.08 0.84 0.61 0.41 0.00 0.00 173.24 175.08 1jbj n GLY 14 N 4.71 -1.03 2.86 3.44 0.00 -1.26 -1.42 105.19 112.50 1jbj n GLY 14 Ca -0.17 0.49 -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 -3.82 0.00 -4.66 2.61 -1.04 -1.26 -4.83 114.28 101.29 1jbj n THR 15 Ca -0.09 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.59 1jbj n THR 15 Cb 0.61 -0.89 -0.16 0.00 -1.82 0.00 0.00 70.33 68.06 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 -2.02 3.10 0.30 8.00 0.01 -0.50 0.18 113.70 122.77 1jbj s SER 16 Ca 0.00 -0.60 -0.10 0.00 1.31 0.00 0.00 55.95 56.55 1jbj s SER 16 Cb 0.00 -1.44 -0.07 0.00 0.21 0.00 0.00 66.02 64.72 1jbj s SER 16 CO 0.00 0.08 0.64 -0.69 0.41 0.00 0.00 173.24 173.68 1jbj s VAL 17 N 0.83 4.85 -0.25 3.43 1.01 0.28 0.21 120.40 130.75 1jbj s VAL 17 Ca -0.07 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1jbj s VAL 17 Cb -0.15 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.67 1jbj s VAL 17 CO -0.02 -0.24 0.21 -1.61 0.00 0.00 0.00 175.10 173.44 1jbj s GLU 18 N -3.20 0.22 0.22 2.72 2.02 0.30 0.18 118.70 121.17 1jbj s GLU 18 Ca 0.49 -0.14 -0.10 0.00 0.02 0.00 0.00 54.97 55.24 1jbj s GLU 18 Cb -0.11 -1.07 -0.07 0.00 0.10 0.00 0.00 34.13 32.98 1jbj s GLU 18 CO 0.24 -0.88 0.54 -0.51 0.02 0.00 0.00 175.26 174.67 1jbj s LEU 19 N 2.26 4.18 -0.23 1.80 1.43 0.27 -1.71 118.68 126.68 1jbj s LEU 19 Ca 0.08 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1jbj s LEU 19 Cb -0.15 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1jbj s LEU 19 CO -0.26 -0.06 -0.14 -0.89 0.23 0.00 0.00 176.35 175.24 1jbj s THR 20 N -1.79 2.27 0.29 5.49 2.01 0.80 -0.36 115.64 124.36 1jbj s THR 20 Ca 0.47 -1.23 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 1jbj s THR 20 Cb -0.11 -2.15 -0.09 0.00 0.01 0.00 0.00 72.50 70.15 1jbj s THR 20 CO 0.21 0.25 0.93 0.00 -0.69 0.00 0.00 174.62 175.31 1jbj n PRO 22 N 0.86 0.81 -4.25 0.00 -0.02 -1.26 -4.67 135.00 126.47 1jbj n PRO 22 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.18 1jbj n PRO 22 Cb 0.49 -1.05 -0.16 0.00 -0.02 0.00 0.00 33.50 32.76 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 -0.88 1.86 0.47 2.45 1.43 -1.26 -4.83 118.68 117.92 1jbj s LEU 23 Ca 0.00 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.36 1jbj s LEU 23 Cb 0.00 -1.27 -0.11 0.00 0.03 0.00 0.00 46.19 44.84 1jbj s LEU 23 CO 0.00 -0.01 0.55 0.47 0.23 0.00 0.00 176.35 177.59 1jbj n ASP 24 N 4.50 -0.88 -4.56 2.29 9.92 -1.26 -4.55 116.55 122.01 1jbj n ASP 24 Ca -0.19 0.85 -0.27 0.00 -0.53 0.00 0.00 54.79 54.65 1jbj n ASP 24 Cb 0.51 -1.14 -0.05 0.00 -0.64 0.00 0.00 41.12 39.80 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1jbj s SER 25 N -1.01 4.74 0.58 -2.24 1.04 -1.26 -4.80 113.70 110.75 1jbj s SER 25 Ca 0.65 0.00 -0.04 0.00 0.48 0.00 0.00 55.95 57.04 1jbj s SER 25 Cb -0.54 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.06 1jbj s SER 25 CO 0.57 -2.98 0.86 -1.81 0.98 0.00 0.00 173.24 170.86 1jbj s ASP 26 N 9.42 5.41 0.00 7.02 1.11 -1.26 -4.90 116.67 133.45 1jbj s ASP 26 Ca 0.79 0.45 0.00 0.00 0.18 0.00 0.00 52.55 53.98 1jbj s ASP 26 Cb -0.11 -1.40 0.00 0.00 1.07 0.00 0.00 42.92 42.48 1jbj s ASP 26 CO 0.10 -1.13 0.79 -0.62 1.18 0.00 0.00 175.17 175.50 1jbj n GLU 27 N -2.53 0.89 -0.49 8.23 1.02 -1.26 -2.41 120.64 124.10 1jbj n GLU 27 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1jbj n GLU 27 Cb 0.59 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 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 0.45 0.00 -4.73 1.62 3.02 -1.26 -5.08 115.26 109.29 1jbj n ASN 28 Ca 0.00 -1.03 -0.41 0.00 -0.03 0.00 0.00 54.58 53.11 1jbj n ASN 28 Cb 0.40 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.10 3.41 2.96 -1.01 -4.22 118.68 124.41 1jbj s LEU 29 Ca 0.00 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.72 1jbj s LEU 29 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1jbj s LEU 29 CO 0.00 -0.10 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.38 1jbj s LYS 30 N 0.06 0.83 0.43 1.98 1.02 -1.04 -2.85 119.74 120.17 1jbj s LYS 30 Ca 0.48 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 55.14 1jbj s LYS 30 Cb -0.24 0.05 -0.03 0.00 -0.52 0.00 0.00 37.83 37.09 1jbj s LYS 30 CO 0.30 -0.13 0.05 -1.58 -0.92 0.00 0.00 175.35 173.07 1jbj s TRP 31 N -3.85 1.95 -0.02 3.18 0.52 -1.16 -2.54 118.94 117.02 1jbj s TRP 31 Ca 0.16 -1.02 -0.05 0.00 0.02 0.00 0.00 56.10 55.20 1jbj s TRP 31 Cb 0.07 -1.43 0.01 0.00 -1.15 0.00 0.00 33.47 30.96 1jbj s TRP 31 CO -0.03 0.05 0.12 -2.00 0.02 0.00 0.00 176.95 175.11 1jbj s GLU 32 N -3.80 0.29 -0.10 4.98 2.12 -0.74 0.21 118.70 121.66 1jbj s GLU 32 Ca 0.21 -0.11 -0.00 0.00 0.36 0.00 0.00 54.97 55.42 1jbj s GLU 32 Cb 0.04 0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.58 1jbj s GLU 32 CO 0.11 -0.06 -0.07 0.21 -0.54 0.00 0.00 175.26 174.92 1jbj s LYS 33 N -0.62 1.36 0.48 4.30 2.36 0.22 -2.06 119.74 125.78 1jbj s LYS 33 Ca -0.07 -0.21 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 1jbj s LYS 33 Cb -0.04 -1.42 0.00 0.00 -1.05 0.00 0.00 37.83 35.32 1jbj s LYS 33 CO 0.01 -0.23 0.00 0.09 1.55 0.00 0.00 175.35 176.77 1jbj n ASN 34 N 4.78 0.00 -0.53 1.43 4.13 -0.33 -0.94 115.26 123.80 1jbj n ASN 34 Ca -0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.12 1jbj n ASN 34 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jbj n GLY 35 N 0.00 0.59 3.14 7.41 0.00 -1.05 -4.83 105.19 110.45 1jbj n GLY 35 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1jbj n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jbj s GLN 36 N 0.00 0.73 -0.15 1.61 -2.07 -0.12 -4.96 119.66 114.70 1jbj s GLN 36 Ca 0.01 -0.96 -0.11 0.00 -1.82 0.00 0.00 55.36 52.48 1jbj s GLN 36 Cb 0.01 -0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 31.35 1jbj s GLN 36 CO -0.00 0.10 0.21 -1.83 -1.32 0.00 0.00 175.29 172.44 1jbj s GLU 37 N -2.08 4.00 -0.50 9.60 4.04 -1.26 0.71 118.70 133.20 1jbj s GLU 37 Ca -0.02 -0.04 -0.17 0.00 0.04 0.00 0.00 54.97 54.77 1jbj s GLU 37 Cb -0.07 -3.35 0.07 0.00 0.02 0.00 0.00 34.13 30.80 1jbj s GLU 37 CO 0.01 0.44 0.53 -0.51 -1.84 0.00 0.00 175.26 173.89 1jbj s LEU 38 N -0.09 5.35 0.91 1.83 1.43 0.13 -4.94 118.68 123.31 1jbj s LEU 38 Ca 0.14 -1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 51.92 1jbj s LEU 38 Cb -0.12 -2.31 0.14 0.00 0.03 0.00 0.00 46.19 43.93 1jbj s LEU 38 CO 0.03 -0.81 1.17 -2.16 0.23 0.00 0.00 176.35 174.80 1jbj s PRO 39 N 2.17 1.11 -1.77 1.29 0.04 -1.26 -2.99 135.00 133.60 1jbj s PRO 39 Ca 0.10 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1jbj s PRO 39 Cb -0.22 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jbj s PRO 39 CO 0.09 -2.19 0.00 1.04 0.04 0.00 0.00 177.00 175.98 1jbj n GLN 40 N -3.73 -1.30 -2.86 4.56 3.00 -1.26 -4.90 117.38 110.88 1jbj n GLN 40 Ca 0.08 1.04 -0.38 0.00 -0.01 0.00 0.00 57.00 57.73 1jbj n GLN 40 Cb 0.60 -5.37 -0.00 0.00 0.00 0.00 0.00 30.24 25.46 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 -2.56 4.57 -0.92 -1.09 3.00 -1.25 -4.85 118.16 115.06 1jbj n LYS 41 Ca -0.19 -4.67 -0.13 0.00 -0.00 0.00 0.00 58.31 53.32 1jbj n LYS 41 Cb 0.61 -2.43 -0.04 0.00 0.00 0.00 0.00 35.03 33.17 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 0.39 0.75 -4.78 5.64 1.44 -1.13 -3.48 115.22 114.05 1jbj n HIS 42 Ca 0.37 -1.58 -0.25 0.00 -2.01 0.00 0.00 57.72 54.25 1jbj n HIS 42 Cb 0.31 -1.06 -0.16 0.00 0.12 0.00 0.00 29.99 29.21 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 1.16 2.01 0.19 4.39 2.15 -1.26 -4.53 116.67 120.77 1jbj s ASP 43 Ca 0.36 -0.32 -0.07 0.00 0.43 0.00 0.00 52.55 52.95 1jbj s ASP 43 Cb 0.22 -0.47 0.10 0.00 -0.30 0.00 0.00 42.92 42.46 1jbj s ASP 43 CO -0.04 0.16 1.57 0.50 -0.17 0.00 0.00 175.17 177.19 1jbj h LYS 44 N 6.13 0.84 -4.46 4.34 3.64 -1.87 -3.40 116.57 121.80 1jbj h LYS 44 Ca -0.34 -0.38 -0.72 0.00 -1.27 0.00 0.00 60.65 57.95 1jbj h LYS 44 Cb 1.17 -0.02 -0.26 0.00 -0.41 0.00 0.00 32.23 32.71 1jbj h LYS 44 CO 0.48 1.01 -0.45 -3.38 -2.27 0.00 0.00 179.45 174.84 1jbj s HIS 45 N -4.53 3.29 0.02 1.91 -3.43 -1.26 0.53 115.29 111.82 1jbj s HIS 45 Ca -0.10 -1.26 -0.26 0.00 -0.80 0.00 0.00 55.06 52.64 1jbj s HIS 45 Cb 0.12 -2.86 -0.05 0.00 -1.43 0.00 0.00 32.58 28.36 1jbj s HIS 45 CO 0.85 -0.79 0.82 -1.17 -2.00 0.00 0.00 174.74 172.45 1jbj s LEU 46 N 1.50 4.41 -0.03 5.38 2.96 0.51 -4.83 118.68 128.59 1jbj s LEU 46 Ca 0.03 1.47 0.01 0.00 -0.22 0.00 0.00 54.13 55.42 1jbj s LEU 46 Cb -0.22 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 1jbj s LEU 46 CO 0.04 -0.08 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.29 1jbj s VAL 47 N 0.35 4.05 -0.45 1.68 1.01 -1.26 0.94 120.40 126.72 1jbj s VAL 47 Ca 0.42 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1jbj s VAL 47 Cb -0.20 -2.75 0.12 0.00 0.00 0.00 0.00 36.38 33.55 1jbj s VAL 47 CO 0.24 0.47 0.18 -0.76 0.00 0.00 0.00 175.10 175.23 1jbj s LEU 48 N -1.26 4.44 -0.10 3.92 1.43 0.49 -4.93 118.68 122.67 1jbj s LEU 48 Ca 0.17 -2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 50.28 1jbj s LEU 48 Cb -0.11 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1jbj s LEU 48 CO 0.07 -0.29 1.14 -1.10 0.23 0.00 0.00 176.35 176.39 1jbj s GLN 49 N 0.16 4.35 -0.42 1.70 -0.21 -1.26 0.99 119.66 124.97 1jbj s GLN 49 Ca 0.15 1.56 -0.01 0.00 0.02 0.00 0.00 55.36 57.08 1jbj s GLN 49 Cb -0.23 -3.58 -0.01 0.00 1.00 0.00 0.00 33.01 30.19 1jbj s GLN 49 CO -0.03 -0.45 0.39 -3.47 -2.12 0.00 0.00 175.29 169.60 1jbj n ASP 50 N 5.39 -4.82 -4.68 5.90 -0.08 0.13 -4.95 116.55 113.43 1jbj n ASP 50 Ca 0.11 -0.12 -0.37 0.00 -1.51 0.00 0.00 54.79 52.90 1jbj n ASP 50 Cb 0.47 -3.13 0.06 0.00 2.34 0.00 0.00 41.12 40.86 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 -1.64 1.46 -3.99 -0.67 7.35 -1.09 -5.00 117.46 113.87 1jbj n PHE 51 Ca -0.01 0.42 -0.31 0.00 -0.76 0.00 0.00 57.45 56.80 1jbj n PHE 51 Cb 0.52 -2.21 -0.15 0.00 0.35 0.00 0.00 39.48 37.98 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 -1.34 4.66 0.33 -2.13 0.01 -1.26 -4.55 113.70 109.41 1jbj s SER 52 Ca 0.80 -2.03 0.07 0.00 1.31 0.00 0.00 55.95 56.10 1jbj s SER 52 Cb -0.39 -1.54 0.57 0.00 0.21 0.00 0.00 66.02 64.87 1jbj s SER 52 CO 0.43 -0.37 1.79 -0.08 0.41 0.00 0.00 173.24 175.42 1jbj h GLU 53 N 7.68 0.28 -0.83 12.44 4.81 -1.70 -2.94 114.58 134.31 1jbj h GLU 53 Ca -0.06 -0.10 0.15 0.00 -0.13 0.00 0.00 59.36 59.22 1jbj h GLU 53 Cb 1.02 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.29 1jbj h GLU 53 CO 0.51 0.54 0.40 0.28 -0.73 0.00 0.00 179.01 180.01 1jbj h VAL 54 N 0.25 0.69 -0.85 0.32 2.07 -1.88 0.87 116.25 117.72 1jbj h VAL 54 Ca 0.04 -0.19 0.16 0.00 0.82 0.00 0.00 66.70 67.52 1jbj h VAL 54 Cb 0.62 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1jbj h VAL 54 CO 0.04 0.10 0.56 -0.33 0.02 0.00 0.00 177.57 177.97 1jbj h GLU 55 N 0.56 0.53 -4.77 1.57 4.39 -1.91 -3.45 114.58 111.50 1jbj h GLU 55 Ca 0.46 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.85 1jbj h GLU 55 Cb 0.69 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 1jbj h GLU 55 CO -0.39 0.35 -0.40 -3.47 -1.16 0.00 0.00 179.01 173.95 1jbj n ASP 56 N -4.53 -3.43 -3.23 1.42 2.03 0.30 -4.88 116.55 104.23 1jbj n ASP 56 Ca 0.17 -0.06 -0.13 0.00 0.52 0.00 0.00 54.79 55.29 1jbj n ASP 56 Cb 0.54 -2.89 -0.05 0.00 -0.72 0.00 0.00 41.12 37.99 1jbj n ASP 56 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1jbj s SER 57 N -2.37 0.21 -0.24 1.67 1.04 -1.26 -4.99 113.70 107.75 1jbj s SER 57 Ca 0.20 -1.67 0.05 0.00 0.48 0.00 0.00 55.95 55.01 1jbj s SER 57 Cb -0.11 0.94 0.48 0.00 0.10 0.00 0.00 66.02 67.43 1jbj s SER 57 CO 0.24 -0.19 1.50 0.61 0.98 0.00 0.00 173.24 176.38 1jbj n GLY 58 N 3.84 3.20 3.54 7.32 0.00 -0.39 -4.82 105.19 117.89 1jbj n GLY 58 Ca 0.15 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1jbj n GLY 58 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jbj n TYR 59 N -0.20 1.11 -4.39 1.61 4.01 -1.19 -2.40 117.16 115.71 1jbj n TYR 59 Ca 0.31 0.13 -0.25 0.00 -0.16 0.00 0.00 57.90 57.93 1jbj n TYR 59 Cb 1.13 -2.43 -0.12 0.00 -0.31 0.00 0.00 39.34 37.61 1jbj n TYR 59 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jbj s TYR 60 N 11.38 2.12 0.05 -0.72 2.02 0.35 -1.18 117.35 131.37 1jbj s TYR 60 Ca 1.06 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 57.30 1jbj s TYR 60 Cb -0.41 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1jbj s TYR 60 CO 0.28 0.44 0.11 0.54 -1.57 0.00 0.00 175.55 175.36 1jbj s VAL 61 N -1.81 0.15 -0.05 0.71 0.11 -0.87 0.53 120.40 119.17 1jbj s VAL 61 Ca 0.19 -1.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.01 1jbj s VAL 61 Cb -0.07 -1.13 0.03 0.00 -1.53 0.00 0.00 36.38 33.68 1jbj s VAL 61 CO 0.09 -0.67 0.10 0.00 -3.33 0.00 0.00 175.10 171.29 1jbj s TYR 63 N 0.87 -0.34 0.28 0.00 1.13 -1.05 -4.55 117.35 113.68 1jbj s TYR 63 Ca -0.07 0.02 0.05 0.00 -1.41 0.00 0.00 57.07 55.66 1jbj s TYR 63 Cb -0.09 0.60 -0.06 0.00 -1.10 0.00 0.00 41.96 41.31 1jbj s TYR 63 CO -0.04 -1.01 -0.01 0.95 -2.51 0.00 0.00 175.55 172.93 1jbj s THR 64 N -3.83 1.33 0.39 -3.49 -4.23 -0.72 -2.49 115.64 102.59 1jbj s THR 64 Ca 0.06 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1jbj s THR 64 Cb -0.03 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.60 1jbj s THR 64 CO -0.04 -0.23 1.97 1.55 -0.54 0.00 0.00 174.62 177.34 1jbj h PRO 65 N 2.29 0.58 0.00 3.99 0.13 -2.01 -1.30 132.00 135.68 1jbj h PRO 65 Ca -0.40 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1jbj h PRO 65 Cb 1.23 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1jbj h PRO 65 CO 0.67 0.38 -0.95 0.00 -0.23 0.00 0.00 178.00 177.88 1jbj n ALA 66 N -2.48 2.66 -3.84 -0.56 0.00 -1.26 -4.68 120.51 110.35 1jbj n ALA 66 Ca 0.10 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1jbj n ALA 66 Cb 0.27 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 1jbj n ALA 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jbj s SER 67 N -5.05 5.06 0.12 0.00 0.15 -0.49 -4.92 113.70 108.58 1jbj s SER 67 Ca 0.01 -2.26 0.25 0.00 0.70 0.00 0.00 55.95 54.65 1jbj s SER 67 Cb 0.11 -1.77 0.59 0.00 -1.71 0.00 0.00 66.02 63.23 1jbj s SER 67 CO 0.78 -0.45 1.52 -3.20 1.20 0.00 0.00 173.24 173.09 1jbj n ASN 68 N 4.23 0.64 -4.61 5.45 2.85 -1.25 -1.76 115.26 120.80 1jbj n ASN 68 Ca 0.01 0.24 -0.42 0.00 -0.11 0.00 0.00 54.58 54.30 1jbj n ASN 68 Cb 0.40 -0.17 -0.05 0.00 1.24 0.00 0.00 39.78 41.21 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1jbj s LYS 69 N -3.11 3.96 0.08 1.20 3.01 -1.26 -5.00 119.74 118.62 1jbj s LYS 69 Ca 0.09 0.64 0.02 0.00 -1.01 0.00 0.00 55.97 55.70 1jbj s LYS 69 Cb 0.14 -3.73 -0.04 0.00 -1.01 0.00 0.00 37.83 33.19 1jbj s LYS 69 CO 0.66 -0.72 -0.07 0.54 0.51 0.00 0.00 175.35 176.28 1jbj s ASN 70 N 1.63 1.05 0.16 2.83 4.22 -1.26 -4.92 114.94 118.65 1jbj s ASN 70 Ca 0.34 -0.92 0.04 0.00 -2.14 0.00 0.00 52.86 50.19 1jbj s ASN 70 Cb -0.14 0.09 -0.04 0.00 1.28 0.00 0.00 41.25 42.44 1jbj s ASN 70 CO 0.13 -0.42 0.15 -0.89 -2.04 0.00 0.00 177.10 174.03 1jbj s THR 71 N -3.22 4.62 -0.45 0.54 2.01 -1.26 -5.01 115.64 112.86 1jbj s THR 71 Ca 0.07 -1.00 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 1jbj s THR 71 Cb 0.03 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.21 1jbj s THR 71 CO -0.04 -0.09 0.79 -0.31 -0.69 0.00 0.00 174.62 174.28 1jbj s TYR 72 N -1.72 2.99 -0.28 4.92 1.51 -1.26 -4.44 117.35 119.06 1jbj s TYR 72 Ca 0.31 0.15 -0.23 0.00 -1.01 0.00 0.00 57.07 56.29 1jbj s TYR 72 Cb -0.10 -3.67 -0.01 0.00 -0.11 0.00 0.00 41.96 38.07 1jbj s TYR 72 CO 0.24 -1.00 0.75 -1.17 -1.11 0.00 0.00 175.55 173.26 1jbj s LEU 73 N 3.30 4.09 -0.42 -1.29 1.98 0.19 -2.87 118.68 123.64 1jbj s LEU 73 Ca 0.30 0.72 -0.06 0.00 -2.89 0.00 0.00 54.13 52.20 1jbj s LEU 73 Cb -0.12 -3.03 0.10 0.00 0.66 0.00 0.00 46.19 43.80 1jbj s LEU 73 CO 0.22 -0.54 0.24 -0.47 -1.89 0.00 0.00 176.35 173.92 1jbj s TYR 74 N 2.81 3.47 -0.19 5.38 5.04 -0.69 0.13 117.35 133.30 1jbj s TYR 74 Ca 0.31 -2.04 -0.11 0.00 -2.44 0.00 0.00 57.07 52.79 1jbj s TYR 74 Cb -0.15 -3.17 -0.05 0.00 0.35 0.00 0.00 41.96 38.95 1jbj s TYR 74 CO 0.11 -0.94 0.18 -1.17 -1.34 0.00 0.00 175.55 172.39 1jbj s LEU 75 N 1.27 4.22 -0.25 6.97 0.20 -1.01 -2.42 118.68 127.66 1jbj s LEU 75 Ca 0.05 0.32 -0.02 0.00 0.69 0.00 0.00 54.13 55.17 1jbj s LEU 75 Cb -0.24 -2.18 0.12 0.00 -0.43 0.00 0.00 46.19 43.46 1jbj s LEU 75 CO -0.02 0.15 0.29 -0.75 -0.29 0.00 0.00 176.35 175.74 1jbj s LYS 76 N 0.39 0.28 0.38 1.98 2.36 -0.47 -1.26 119.74 123.41 1jbj s LYS 76 Ca 0.11 0.16 -0.12 0.00 -2.55 0.00 0.00 55.97 53.57 1jbj s LYS 76 Cb -0.12 -0.82 0.04 0.00 -1.05 0.00 0.00 37.83 35.89 1jbj s LYS 76 CO -0.00 -0.79 0.72 0.00 1.55 0.00 0.00 175.35 176.82 1jbj s ALA 77 N 2.40 -0.32 -0.06 3.13 0.00 -1.26 -3.59 121.76 122.06 1jbj s ALA 77 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1jbj s ALA 77 Cb -0.15 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1jbj s ALA 77 CO -0.21 -0.94 -0.05 0.50 0.00 0.00 0.00 175.76 175.07 1jbj s ARG 78 N -2.40 0.95 0.05 0.00 3.52 -1.26 -3.59 118.95 116.23 1jbj s ARG 78 Ca 0.19 -0.11 0.07 0.00 -0.13 0.00 0.00 55.73 55.75 1jbj s ARG 78 Cb -0.04 -1.01 -0.03 0.00 -1.56 0.00 0.00 34.95 32.31 1jbj s ARG 78 CO 0.14 -0.14 -0.19 0.14 -0.81 0.00 0.00 175.30 174.44 1jbj s VAL 79 N 1.20 1.53 0.00 7.11 -7.23 -1.26 -5.03 120.40 116.72 1jbj s VAL 79 Ca -0.06 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1jbj s VAL 79 Cb -0.14 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1jbj s VAL 79 CO -0.02 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1jbj n GLY 80 N 1.76 1.13 2.52 2.32 0.00 -1.26 -1.82 105.19 109.84 1jbj n GLY 80 Ca -0.18 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1jbj n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jbj n SER 81 N -1.92 6.81 -2.39 1.61 3.41 -1.26 -4.63 113.62 115.25 1jbj n SER 81 Ca 0.00 -2.80 -0.32 0.00 -0.26 0.00 0.00 58.87 55.49 1jbj n SER 81 Cb 0.00 -1.55 0.04 0.00 -0.26 0.00 0.00 64.21 62.44 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jbj n ALA 82 N 4.05 5.82 -2.75 7.33 0.00 -0.76 -4.43 120.51 129.76 1jbj n ALA 82 Ca 0.64 -3.84 0.01 0.00 0.00 0.00 0.00 53.44 50.25 1jbj n ALA 82 Cb 0.29 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.71 1.27 -2.39 0.00 5.68 -1.26 -4.04 116.55 115.09 1jbj n ASP 83 Ca 0.52 -2.02 -0.01 0.00 -0.50 0.00 0.00 54.79 52.78 1jbj n ASP 83 Cb 0.66 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1jbj n ASP 84 N -0.41 -7.24 -0.04 -1.12 -0.08 -1.26 -5.01 116.55 101.39 1jbj n ASP 84 Ca 0.05 1.71 -0.02 0.00 -1.51 0.00 0.00 54.79 55.02 1jbj n ASP 84 Cb 0.88 -4.89 -0.01 0.00 2.34 0.00 0.00 41.12 39.44 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 1.86 0.23 -2.74 -1.67 0.00 -1.26 -5.07 120.51 111.86 1jbj n ALA 85 Ca -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 1jbj n ALA 85 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 1jbj n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 86 N -3.46 -3.48 -0.05 0.00 4.76 -1.26 -5.00 118.16 109.66 1jbj n LYS 86 Ca -0.04 2.78 -0.07 0.00 -2.87 0.00 0.00 58.31 58.11 1jbj n LYS 86 Cb 0.14 -4.88 -0.06 0.00 -1.84 0.00 0.00 35.03 28.39 1jbj n LYS 86 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1jbj n LYS 87 N 1.04 1.18 -1.92 1.97 3.00 -1.26 -4.73 118.16 117.44 1jbj n LYS 87 Ca -0.10 0.04 -0.41 0.00 -0.00 0.00 0.00 58.31 57.84 1jbj n LYS 87 Cb 0.20 -1.24 -0.01 0.00 0.00 0.00 0.00 35.03 33.98 1jbj n LYS 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1jbj n ASP 88 N -2.64 6.89 -4.63 3.14 -0.08 -1.26 -4.93 116.55 113.04 1jbj n ASP 88 Ca -0.18 -2.98 -0.25 0.00 -1.51 0.00 0.00 54.79 49.86 1jbj n ASP 88 Cb 0.75 -1.47 -0.09 0.00 2.34 0.00 0.00 41.12 42.66 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj s ALA 89 N 0.44 3.21 -0.38 -1.67 0.00 -1.26 -5.02 121.76 117.07 1jbj s ALA 89 Ca 0.52 -1.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1jbj s ALA 89 Cb 0.15 -0.33 0.19 0.00 0.00 0.00 0.00 23.12 23.13 1jbj s ALA 89 CO -0.06 0.04 0.87 0.00 0.00 0.00 0.00 175.76 176.61 1jbj s ALA 90 N -2.54 -3.41 -1.72 0.00 0.00 -1.26 -4.94 121.76 107.88 1jbj s ALA 90 Ca 0.35 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1jbj s ALA 90 Cb 0.01 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1jbj s ALA 90 CO 0.19 -2.37 0.17 1.17 0.00 0.00 0.00 175.76 174.92 1jbj n LYS 91 N 3.65 -2.57 -2.57 0.00 3.00 -1.26 -4.04 118.16 114.37 1jbj n LYS 91 Ca 0.10 0.98 -0.04 0.00 -0.00 0.00 0.00 58.31 59.35 1jbj n LYS 91 Cb 0.60 -5.70 -0.04 0.00 0.00 0.00 0.00 35.03 29.90 1jbj n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jbj n LYS 92 N -3.29 -4.17 -3.58 1.64 4.81 -1.26 -5.08 118.16 107.23 1jbj n LYS 92 Ca -0.21 3.19 -0.07 0.00 -0.87 0.00 0.00 58.31 60.36 1jbj n LYS 92 Cb 0.67 -4.97 -0.03 0.00 0.02 0.00 0.00 35.03 30.72 1jbj n LYS 92 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jbj s ASP 93 N -0.85 -0.23 -1.14 3.14 -1.08 -1.26 -5.00 116.67 110.26 1jbj s ASP 93 Ca -0.22 0.12 -0.05 0.00 -0.52 0.00 0.00 52.55 51.88 1jbj s ASP 93 Cb 0.01 0.22 0.01 0.00 -1.46 0.00 0.00 42.92 41.70 1jbj s ASP 93 CO 0.76 -0.31 0.98 -0.67 0.52 0.00 0.00 175.17 176.46 1jbj n ASP 94 N 0.22 -4.64 -4.78 -0.34 -0.08 -1.26 -4.72 116.55 100.95 1jbj n ASP 94 Ca -0.04 -0.49 -0.39 0.00 -1.51 0.00 0.00 54.79 52.35 1jbj n ASP 94 Cb 0.59 -4.47 -0.06 0.00 2.34 0.00 0.00 41.12 39.53 1jbj n ASP 94 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj s ALA 95 N -3.29 3.48 -1.34 -1.67 0.00 -1.26 -4.95 121.76 112.73 1jbj s ALA 95 Ca 0.35 0.20 0.27 0.00 0.00 0.00 0.00 51.96 52.79 1jbj s ALA 95 Cb -0.16 -2.84 1.31 0.00 0.00 0.00 0.00 23.12 21.43 1jbj s ALA 95 CO 0.63 0.25 1.91 1.63 0.00 0.00 0.00 175.76 180.18 1jbj n LYS 96 N 2.06 0.30 -1.33 0.00 5.02 -1.26 -5.01 118.16 117.94 1jbj n LYS 96 Ca -0.06 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1jbj n LYS 96 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1jbj n LYS 96 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1jbj n LYS 97 N -1.33 -3.78 -0.54 1.97 0.00 -1.26 -4.95 118.16 108.27 1jbj n LYS 97 Ca 0.11 2.79 -0.29 0.00 0.00 0.00 0.00 58.31 60.93 1jbj n LYS 97 Cb 0.24 -3.12 0.26 0.00 0.00 0.00 0.00 35.03 32.40 1jbj n LYS 97 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1jbj s ASP 98 N -2.75 0.30 0.25 3.14 1.47 -1.26 -4.99 116.67 112.83 1jbj s ASP 98 Ca 0.00 1.23 -0.18 0.00 1.18 0.00 0.00 52.55 54.78 1jbj s ASP 98 Cb 0.00 -1.87 -0.08 0.00 -0.34 0.00 0.00 42.92 40.63 1jbj s ASP 98 CO 0.00 -4.58 0.73 -1.81 0.68 0.00 0.00 175.17 170.19 1jbj s ASP 99 N -2.81 6.97 0.00 2.11 1.11 -1.26 -5.04 116.67 117.75 1jbj s ASP 99 Ca 0.68 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.79 1jbj s ASP 99 Cb -0.20 -2.41 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1jbj s ASP 99 CO 0.62 -0.04 0.00 0.00 1.18 0.00 0.00 175.17 176.93 1jbj n ALA 100 N 0.38 0.00 -1.56 5.23 0.00 -1.26 -5.11 120.51 118.20 1jbj n ALA 100 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.95 1jbj n ALA 100 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1jbj n ALA 100 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jbj n LYS 101 N 0.00 1.61 -0.02 0.00 2.85 -1.26 -4.87 118.16 116.47 1jbj n LYS 101 Ca 0.00 0.49 -0.04 0.00 -1.05 0.00 0.00 58.31 57.71 1jbj n LYS 101 Cb 0.00 -2.71 -0.03 0.00 -0.65 0.00 0.00 35.03 31.64 1jbj n LYS 101 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1jbj h LYS 102 N 12.16 -0.08 -0.90 -1.58 3.64 -2.00 -3.36 116.57 124.45 1jbj h LYS 102 Ca -0.37 0.01 -0.48 0.00 -1.27 0.00 0.00 60.65 58.53 1jbj h LYS 102 Cb 1.29 0.02 -0.28 0.00 -0.41 0.00 0.00 32.23 32.85 1jbj h LYS 102 CO 0.98 0.12 0.55 -0.25 -2.27 0.00 0.00 179.45 178.59 1jbj n ASP 103 N -4.81 3.85 -2.36 4.20 9.92 -1.26 -4.88 116.55 121.21 1jbj n ASP 103 Ca -0.03 -3.65 -0.18 0.00 -0.53 0.00 0.00 54.79 50.40 1jbj n ASP 103 Cb 0.12 -0.82 0.02 0.00 -0.64 0.00 0.00 41.12 39.81 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 104 N -1.13 -0.30 3.46 0.44 0.00 -1.26 -4.99 105.19 101.43 1jbj n GLY 104 Ca 0.56 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.65 5.33 -0.14 1.61 0.01 -1.26 -5.05 113.70 111.54 1jbj s SER 105 Ca 0.19 -0.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 1jbj s SER 105 Cb -0.09 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.13 1jbj s SER 105 CO 0.24 -0.06 1.91 -1.10 0.41 0.00 0.00 173.24 174.64 1jbj s GLN 106 N 1.63 3.69 -0.41 12.44 1.11 -1.26 -4.71 119.66 132.15 1jbj s GLN 106 Ca 0.06 2.07 0.05 0.00 0.01 0.00 0.00 55.36 57.55 1jbj s GLN 106 Cb -0.16 -4.18 0.31 0.00 -1.01 0.00 0.00 33.01 27.97 1jbj s GLN 106 CO 0.05 -1.44 1.18 -2.37 0.01 0.00 0.00 175.29 172.72 1jbj n THR 107 N 6.56 0.00 -4.03 -0.19 5.66 -1.26 -5.12 114.28 115.89 1jbj n THR 107 Ca 0.23 -1.17 -0.34 0.00 -3.05 0.00 0.00 64.05 59.71 1jbj n THR 107 Cb 0.44 1.34 -0.15 0.00 -1.55 0.00 0.00 70.33 70.41 1jbj n THR 107 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1jbj s ASN 108 N -0.92 3.98 0.00 1.09 -0.87 -1.26 -4.86 114.94 112.10 1jbj s ASN 108 Ca 0.23 -0.45 0.00 0.00 -1.57 0.00 0.00 52.86 51.07 1jbj s ASN 108 Cb 0.28 -1.66 0.00 0.00 -0.02 0.00 0.00 41.25 39.84 1jbj s ASN 108 CO -0.13 0.00 0.00 0.29 -2.57 0.00 0.00 177.10 174.70 1jbj n LYS 109 N 4.64 0.00 -1.44 -0.60 5.02 -1.26 -4.88 118.16 119.64 1jbj n LYS 109 Ca -0.19 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.13 1jbj n LYS 109 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.50 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jbj n ALA 110 N 0.04 -2.14 -2.86 7.82 0.00 -1.26 -2.53 120.51 119.57 1jbj n ALA 110 Ca 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 53.44 53.90 1jbj n ALA 110 Cb 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.04 1jbj n ALA 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 111 N -2.82 -2.69 0.00 0.00 4.76 -1.26 -4.42 118.16 111.73 1jbj n LYS 111 Ca -0.02 2.28 0.00 0.00 -2.87 0.00 0.00 58.31 57.70 1jbj n LYS 111 Cb 0.48 -5.12 0.00 0.00 -1.84 0.00 0.00 35.03 28.55 1jbj n LYS 111 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jbj n ASN 112 N 0.16 0.00 0.00 4.39 3.02 -1.26 -4.85 115.26 116.72 1jbj n ASN 112 Ca 0.06 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1jbj n ASN 112 Cb 0.30 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.25 0.00 -4.64 3.41 4.32 -1.26 -4.55 117.00 113.04 1jbj n LEU 113 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1jbj n LEU 113 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1jbj n LEU 113 CO 0.00 0.00 -0.35 0.54 -1.22 0.00 0.00 177.39 176.36 1jbj s VAL 114 N 0.00 3.94 0.05 4.08 0.11 -1.26 -4.52 120.40 122.79 1jbj s VAL 114 Ca 0.00 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1jbj s VAL 114 Cb 0.00 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 1jbj s VAL 114 CO 0.00 0.45 -0.02 0.00 -3.33 0.00 0.00 175.10 172.19 1jbj s GLN 115 N -1.31 0.57 0.05 1.54 -2.07 -0.97 -5.05 119.66 112.43 1jbj s GLN 115 Ca 0.17 -1.12 0.00 0.00 -1.82 0.00 0.00 55.36 52.59 1jbj s GLN 115 Cb -0.11 0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 31.97 1jbj s GLN 115 CO 0.07 -0.11 -0.04 0.14 -1.32 0.00 0.00 175.29 174.03 1jbj s VAL 116 N -3.54 0.32 0.06 3.63 -7.23 -1.26 0.15 120.40 112.53 1jbj s VAL 116 Ca 0.03 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1jbj s VAL 116 Cb 0.05 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 1jbj s VAL 116 CO -0.09 -0.72 0.03 -1.81 -0.31 0.00 0.00 175.10 172.20 1jbj s ASP 117 N -2.27 5.26 0.00 4.85 1.11 0.29 -4.89 116.67 121.02 1jbj s ASP 117 Ca -0.02 -0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.65 1jbj s ASP 117 Cb -0.01 -1.36 0.00 0.00 1.07 0.00 0.00 42.92 42.62 1jbj s ASP 117 CO -0.05 0.20 0.31 0.61 1.18 0.00 0.00 175.17 177.43 1jbj n GLY 118 N 0.76 -1.50 2.82 0.21 0.00 -1.25 -1.82 105.19 104.41 1jbj n GLY 118 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 119 N 0.00 0.05 -0.12 1.61 0.01 -1.15 -4.50 113.70 109.60 1jbj s SER 119 Ca 0.00 -1.62 0.14 0.00 1.31 0.00 0.00 55.95 55.78 1jbj s SER 119 Cb 0.00 1.03 0.61 0.00 0.21 0.00 0.00 66.02 67.87 1jbj s SER 119 CO 0.00 -0.18 1.49 0.54 0.41 0.00 0.00 173.24 175.49 1jbj n ARG 120 N 3.84 3.49 0.00 12.44 5.12 -1.24 -4.91 116.66 135.41 1jbj n ARG 120 Ca 0.15 -2.41 0.00 0.00 -1.93 0.00 0.00 57.85 53.66 1jbj n ARG 120 Cb 0.50 -1.87 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 1jbj n ARG 120 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jbj n GLY 121 N 0.87 3.09 0.01 -0.13 0.00 -1.26 -4.72 105.19 103.06 1jbj n GLY 121 Ca 0.22 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 0.93 0.23 0.00 1.61 8.00 -1.26 -4.99 116.55 121.08 1jbj n ASP 122 Ca 0.00 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1jbj n ASP 122 Cb 0.00 1.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 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 1.32 0.95 3.92 0.44 0.00 -1.26 -5.02 105.19 105.53 1jbj n GLY 123 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.70 6.25 -0.18 1.61 0.01 -1.26 -1.99 113.70 116.45 1jbj s SER 124 Ca 0.00 0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 1jbj s SER 124 Cb 0.00 -1.87 -0.00 0.00 0.21 0.00 0.00 66.02 64.35 1jbj s SER 124 CO 0.00 0.10 -0.13 -0.69 0.41 0.00 0.00 173.24 172.93 1jbj s VAL 125 N -1.65 2.81 -0.19 3.43 1.01 -0.87 -2.95 120.40 121.98 1jbj s VAL 125 Ca 0.34 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1jbj s VAL 125 Cb -0.12 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.10 1jbj s VAL 125 CO 0.28 0.49 -0.01 -0.76 0.00 0.00 0.00 175.10 175.10 1jbj s LEU 126 N 1.05 1.63 0.09 3.92 1.02 -0.76 -1.43 118.68 124.20 1jbj s LEU 126 Ca -0.01 -0.85 -0.30 0.00 0.02 0.00 0.00 54.13 52.99 1jbj s LEU 126 Cb -0.15 -0.82 -0.05 0.00 0.02 0.00 0.00 46.19 45.19 1jbj s LEU 126 CO -0.03 -0.26 0.99 -0.76 0.02 0.00 0.00 176.35 176.31 1jbj s LEU 127 N 1.69 4.47 -0.14 1.79 1.43 -0.33 0.10 118.68 127.69 1jbj s LEU 127 Ca -0.02 1.80 -0.03 0.00 -1.03 0.00 0.00 54.13 54.86 1jbj s LEU 127 Cb -0.17 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1jbj s LEU 127 CO -0.07 -0.14 -0.03 0.42 0.23 0.00 0.00 176.35 176.76 1jbj s THR 128 N 0.23 3.95 0.00 5.49 -4.23 0.41 0.19 115.64 121.68 1jbj s THR 128 Ca 0.49 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1jbj s THR 128 Cb -0.24 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1jbj s THR 128 CO 0.30 0.52 0.00 0.00 -0.54 0.00 0.00 174.62 174.89 1jbj n GLY 130 N 0.00 2.61 2.32 0.00 0.00 -1.26 -4.54 105.19 104.31 1jbj n GLY 130 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.19 -1.58 0.99 7.99 -1.26 -3.44 117.00 115.51 1jbj n LEU 131 Ca 0.00 -0.16 -0.17 0.00 -0.01 0.00 0.00 56.01 55.67 1jbj n LEU 131 Cb 0.00 -2.05 -0.07 0.00 -0.11 0.00 0.00 43.42 41.20 1jbj n LEU 131 CO 0.00 -0.33 -0.17 0.35 -1.51 0.00 0.00 177.39 175.73 1jbj n THR 132 N -1.76 -0.07 -3.43 -5.08 -2.24 -1.26 -4.94 114.28 95.50 1jbj n THR 132 Ca -0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 1jbj n THR 132 Cb 0.52 -1.71 -0.06 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.42 6.73 0.00 3.42 1.01 -1.22 -4.96 116.67 119.23 1jbj s ASP 133 Ca 0.00 0.97 0.31 0.00 0.71 0.00 0.00 52.55 54.53 1jbj s ASP 133 Cb 0.00 -2.24 1.66 0.00 1.01 0.00 0.00 42.92 43.35 1jbj s ASP 133 CO 0.00 0.07 2.11 1.17 0.21 0.00 0.00 175.17 178.73 1jbj n LYS 134 N 0.57 0.65 -4.29 8.23 0.00 -1.26 -4.69 118.16 117.37 1jbj n LYS 134 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.06 1jbj n LYS 134 Cb 0.52 -1.50 -0.16 0.00 0.00 0.00 0.00 35.03 33.89 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jbj s THR 135 N -2.35 0.69 -0.10 3.15 2.01 -1.26 -5.12 115.64 112.67 1jbj s THR 135 Ca 0.36 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.03 1jbj s THR 135 Cb 0.21 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1jbj s THR 135 CO 0.42 0.25 0.28 -0.63 -0.69 0.00 0.00 174.62 174.25 1jbj s ILE 136 N 0.73 0.00 -0.20 1.82 1.01 -1.26 -3.66 121.20 119.64 1jbj s ILE 136 Ca -0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 1jbj s ILE 136 Cb -0.14 -0.41 0.07 0.00 0.01 0.00 0.00 42.46 41.99 1jbj s ILE 136 CO 0.01 -0.02 0.08 -0.54 0.00 0.00 0.00 174.94 174.48 1jbj s LYS 137 N 0.06 0.27 0.15 2.79 3.01 -0.85 -4.97 119.74 120.21 1jbj s LYS 137 Ca -0.01 -0.29 -0.15 0.00 -1.01 0.00 0.00 55.97 54.51 1jbj s LYS 137 Cb -0.02 -1.80 -0.07 0.00 -1.01 0.00 0.00 37.83 34.93 1jbj s LYS 137 CO 0.01 -0.74 0.58 -0.46 0.51 0.00 0.00 175.35 175.24 1jbj s TRP 138 N 2.04 3.62 0.15 3.18 -0.11 -1.26 -0.86 118.94 125.69 1jbj s TRP 138 Ca 0.03 1.12 0.08 0.00 1.22 0.00 0.00 56.10 58.54 1jbj s TRP 138 Cb -0.16 -2.41 -0.04 0.00 -1.50 0.00 0.00 33.47 29.35 1jbj s TRP 138 CO -0.14 0.42 -0.17 -0.51 -4.62 0.00 0.00 176.95 171.93 1jbj s LEU 139 N -1.92 2.41 -0.16 5.86 1.02 0.17 -2.56 118.68 123.50 1jbj s LEU 139 Ca 0.38 -0.83 0.01 0.00 0.02 0.00 0.00 54.13 53.71 1jbj s LEU 139 Cb -0.15 -0.75 0.02 0.00 0.02 0.00 0.00 46.19 45.33 1jbj s LEU 139 CO 0.19 -0.06 -0.15 -1.59 0.02 0.00 0.00 176.35 174.76 1jbj s LYS 140 N -2.68 2.47 -1.14 1.70 -2.85 0.27 -2.27 119.74 115.23 1jbj s LYS 140 Ca 0.13 -0.66 -0.01 0.00 -1.00 0.00 0.00 55.97 54.43 1jbj s LYS 140 Cb -0.06 -2.26 0.01 0.00 -2.06 0.00 0.00 37.83 33.46 1jbj s LYS 140 CO 0.05 -0.25 0.09 -0.25 0.10 0.00 0.00 175.35 175.09 1jbj n ASP 141 N 4.72 -4.09 0.00 0.03 8.00 -1.26 0.01 116.55 123.96 1jbj n ASP 141 Ca -0.18 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1jbj n ASP 141 Cb 0.50 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 142 N -0.89 0.66 3.43 0.44 0.00 -1.26 -5.07 105.19 102.50 1jbj n GLY 142 Ca -0.13 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.44 3.44 -0.17 1.61 0.15 0.10 -5.11 113.70 111.27 1jbj s SER 143 Ca 0.00 -0.92 -0.23 0.00 0.70 0.00 0.00 55.95 55.50 1jbj s SER 143 Cb 0.00 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 1jbj s SER 143 CO 0.00 0.09 0.73 -0.63 1.20 0.00 0.00 173.24 174.63 1jbj s ILE 144 N -1.95 4.95 -0.23 6.45 1.09 -1.26 0.95 121.20 131.21 1jbj s ILE 144 Ca 0.23 1.43 -0.04 0.00 -1.10 0.00 0.00 60.65 61.17 1jbj s ILE 144 Cb -0.07 -4.05 0.08 0.00 -1.06 0.00 0.00 42.46 37.36 1jbj s ILE 144 CO 0.11 0.08 0.10 -0.51 -0.10 0.00 0.00 174.94 174.62 1jbj s ILE 145 N 1.95 0.06 0.37 2.92 2.07 -1.06 -4.89 121.20 122.62 1jbj s ILE 145 Ca 0.34 -0.52 0.07 0.00 -1.41 0.00 0.00 60.65 59.14 1jbj s ILE 145 Cb -0.16 -0.85 -0.00 0.00 0.13 0.00 0.00 42.46 41.57 1jbj s ILE 145 CO 0.12 -0.47 0.49 -0.44 -1.91 0.00 0.00 174.94 172.74 1jbj s SER 146 N 2.06 5.81 0.62 4.50 0.01 -1.26 -4.41 113.70 121.02 1jbj s SER 146 Ca 0.05 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 1jbj s SER 146 Cb -0.16 -1.00 0.06 0.00 0.21 0.00 0.00 66.02 65.12 1jbj s SER 146 CO -0.20 -0.55 0.87 -2.16 0.41 0.00 0.00 173.24 171.61 1jbj s PRO 147 N -4.23 2.31 -0.32 12.44 0.04 -1.26 -5.08 135.00 138.89 1jbj s PRO 147 Ca 0.48 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1jbj s PRO 147 Cb -0.09 -2.38 0.07 0.00 0.04 0.00 0.00 34.50 32.14 1jbj s PRO 147 CO 0.31 -0.97 0.02 -1.17 0.04 0.00 0.00 177.00 175.24 1jbj s LEU 148 N -4.95 4.21 -1.62 -3.56 1.98 -1.26 -4.67 118.68 108.81 1jbj s LEU 148 Ca 0.60 -1.60 -0.00 0.00 -2.89 0.00 0.00 54.13 50.23 1jbj s LEU 148 Cb -0.10 -1.68 0.00 0.00 0.66 0.00 0.00 46.19 45.07 1jbj s LEU 148 CO 0.41 -0.32 0.05 0.59 -1.89 0.00 0.00 176.35 175.19 1jbj n ASN 149 N 4.51 -5.50 -3.76 3.68 4.13 -1.26 -4.97 115.26 112.09 1jbj n ASN 149 Ca -0.08 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.04 1jbj n ASN 149 Cb 0.42 -4.58 -0.15 0.00 -1.54 0.00 0.00 39.78 33.93 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jbj s ALA 150 N -2.96 -0.11 0.00 5.41 0.00 -1.26 -5.08 121.76 117.75 1jbj s ALA 150 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1jbj s ALA 150 Cb -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1jbj s ALA 150 CO 0.03 -0.13 0.00 0.25 0.00 0.00 0.00 175.76 175.91 1jbj n THR 151 N 4.15 0.00 -4.06 0.00 -2.24 -1.26 -4.66 114.28 106.22 1jbj n THR 151 Ca -0.27 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 1jbj n THR 151 Cb 0.51 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 1jbj n THR 151 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1jbj n LYS 152 N -0.29 -0.89 -1.73 -0.78 2.85 -1.26 0.80 118.16 116.86 1jbj n LYS 152 Ca 0.00 0.11 -0.02 0.00 -1.05 0.00 0.00 58.31 57.36 1jbj n LYS 152 Cb 0.00 -4.16 -0.00 0.00 -0.65 0.00 0.00 35.03 30.21 1jbj n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1jbj n ASN 153 N -2.03 -0.92 -4.68 -5.58 0.23 -1.26 -4.86 115.26 96.16 1jbj n ASN 153 Ca 0.10 0.24 -0.27 0.00 -0.53 0.00 0.00 54.58 54.12 1jbj n ASN 153 Cb 0.40 -1.10 -0.09 0.00 -2.08 0.00 0.00 39.78 36.91 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 -1.59 2.10 -0.14 5.53 -4.23 0.24 -2.07 115.64 115.48 1jbj s THR 154 Ca 0.00 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1jbj s THR 154 Cb 0.00 -2.96 0.04 0.00 1.34 0.00 0.00 72.50 70.93 1jbj s THR 154 CO 0.00 0.00 0.01 0.86 -0.54 0.00 0.00 174.62 174.95 1jbj s TRP 155 N -2.67 0.94 0.19 3.99 -0.11 0.49 -4.75 118.94 117.02 1jbj s TRP 155 Ca 0.37 -0.58 -0.31 0.00 1.22 0.00 0.00 56.10 56.80 1jbj s TRP 155 Cb 0.07 -0.96 -0.10 0.00 -1.50 0.00 0.00 33.47 30.98 1jbj s TRP 155 CO 0.20 -0.49 1.47 1.21 -4.62 0.00 0.00 176.95 174.72 1jbj s ASN 156 N 1.88 6.67 -0.06 5.86 3.04 -1.26 -1.18 114.94 129.90 1jbj s ASN 156 Ca 0.02 2.57 0.01 0.00 0.04 0.00 0.00 52.86 55.50 1jbj s ASN 156 Cb -0.15 -2.60 -0.04 0.00 -1.54 0.00 0.00 41.25 36.92 1jbj s ASN 156 CO -0.07 -0.73 -0.03 0.18 -3.04 0.00 0.00 177.10 173.41 1jbj n LEU 157 N 3.26 2.20 0.00 3.21 4.77 -0.51 -4.95 117.00 124.97 1jbj n LEU 157 Ca 0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1jbj n LEU 157 Cb 0.40 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1jbj n LEU 157 CO 0.60 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1jbj n GLY 158 N 3.09 0.60 3.44 -0.72 0.00 -1.25 -4.36 105.19 105.98 1jbj n GLY 158 Ca -0.10 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 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 5.75 0.53 1.61 3.84 -1.26 -2.06 114.94 119.35 1jbj s ASN 159 Ca 0.00 -0.69 0.43 0.00 0.21 0.00 0.00 52.86 52.81 1jbj s ASN 159 Cb 0.00 -2.05 1.63 0.00 -0.55 0.00 0.00 41.25 40.28 1jbj s ASN 159 CO 0.00 -0.29 1.64 -0.55 -2.79 0.00 0.00 177.10 175.11 1jbj h ASN 160 N 8.43 0.05 -0.70 -4.21 7.08 -1.73 1.04 115.58 125.54 1jbj h ASN 160 Ca -0.29 0.03 0.09 0.00 -3.08 0.00 0.00 56.30 53.05 1jbj h ASN 160 Cb 1.13 0.03 -0.05 0.00 -2.08 0.00 0.00 38.32 37.35 1jbj h ASN 160 CO 0.65 -0.04 0.46 0.00 -2.08 0.00 0.00 177.43 176.42 1jbj h ALA 161 N 1.23 1.86 0.00 4.14 0.00 -1.90 -3.34 119.26 121.25 1jbj h ALA 161 Ca 0.83 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.51 1jbj h ALA 161 Cb 3.16 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 20.67 1jbj h ALA 161 CO -0.10 -0.00 -0.35 1.17 0.00 0.00 0.00 179.25 179.98 1jbj n LYS 162 N -4.49 1.06 -4.09 0.00 4.81 0.31 -4.87 118.16 110.89 1jbj n LYS 162 Ca 0.11 -1.78 -0.26 0.00 -0.87 0.00 0.00 58.31 55.51 1jbj n LYS 162 Cb 0.33 -0.40 -0.06 0.00 0.02 0.00 0.00 35.03 34.92 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1jbj s ASP 163 N -1.16 5.44 0.82 3.14 -4.77 0.18 -4.70 116.67 115.63 1jbj s ASP 163 Ca 0.21 -0.15 -0.11 0.00 -3.30 0.00 0.00 52.55 49.20 1jbj s ASP 163 Cb 0.34 -1.40 0.08 0.00 -1.09 0.00 0.00 42.92 40.86 1jbj s ASP 163 CO -0.08 0.08 1.09 -2.16 0.70 0.00 0.00 175.17 174.80 1jbj s PRO 164 N -3.05 1.87 0.26 2.11 0.04 -1.26 -4.94 135.00 130.03 1jbj s PRO 164 Ca 0.30 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.44 1jbj s PRO 164 Cb -0.10 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1jbj s PRO 164 CO 0.23 -1.89 0.22 -0.98 0.04 0.00 0.00 177.00 174.62 1jbj s ARG 165 N -4.90 1.47 0.00 4.56 1.04 -1.26 -4.93 118.95 114.93 1jbj s ARG 165 Ca 0.62 -1.78 0.00 0.00 -1.04 0.00 0.00 55.73 53.53 1jbj s ARG 165 Cb -0.18 0.31 0.00 0.00 -2.04 0.00 0.00 34.95 33.04 1jbj s ARG 165 CO 0.56 -0.52 0.00 0.41 -0.04 0.00 0.00 175.30 175.71 1jbj n GLY 166 N -0.43 0.08 3.40 3.88 0.00 -1.04 -5.02 105.19 106.06 1jbj n GLY 166 Ca 0.04 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 2.56 -0.05 2.61 -4.23 -1.25 -0.49 115.64 110.78 1jbj s THR 167 Ca 0.00 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1jbj s THR 167 Cb 0.00 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.88 1jbj s THR 167 CO 0.00 0.51 0.01 -0.31 -0.54 0.00 0.00 174.62 174.29 1jbj s TYR 168 N -0.74 0.45 -0.15 3.99 1.51 -0.29 -4.39 117.35 117.73 1jbj s TYR 168 Ca 0.12 -0.04 -0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1jbj s TYR 168 Cb -0.10 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 1jbj s TYR 168 CO 0.01 -0.22 0.09 1.14 -1.11 0.00 0.00 175.55 175.46 1jbj s GLN 169 N 1.59 3.66 0.26 -0.62 -2.07 -0.96 0.17 119.66 121.70 1jbj s GLN 169 Ca -0.01 -0.26 0.08 0.00 -1.82 0.00 0.00 55.36 53.35 1jbj s GLN 169 Cb -0.13 -3.17 -0.04 0.00 -1.09 0.00 0.00 33.01 28.59 1jbj s GLN 169 CO -0.03 0.52 0.10 0.00 -1.32 0.00 0.00 175.29 174.56 1jbj s GLN 171 N -3.77 0.62 0.29 0.00 -0.44 -0.04 -1.10 119.66 115.22 1jbj s GLN 171 Ca 0.32 -0.47 0.01 0.00 -2.50 0.00 0.00 55.36 52.73 1jbj s GLN 171 Cb -0.07 -2.05 -0.03 0.00 -1.64 0.00 0.00 33.01 29.21 1jbj s GLN 171 CO 0.22 -0.69 0.47 0.20 0.50 0.00 0.00 175.29 175.99 1jbj s GLY 172 N 1.86 1.40 0.09 2.59 0.00 0.37 -2.00 107.32 111.63 1jbj s GLY 172 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.58 1jbj s GLY 172 CO -0.11 -0.93 0.85 0.00 0.00 0.00 0.00 173.10 172.91 1jbj n ALA 173 N -1.45 -0.35 -0.85 3.20 0.00 -1.24 -2.02 120.51 117.80 1jbj n ALA 173 Ca -0.06 0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.87 1jbj n ALA 173 Cb 0.56 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.97 1jbj n ALA 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 174 N -4.66 1.34 -3.62 0.00 4.81 -1.26 -5.00 118.16 109.77 1jbj n LYS 174 Ca 0.01 -1.44 -0.18 0.00 -0.87 0.00 0.00 58.31 55.83 1jbj n LYS 174 Cb 0.14 -0.92 -0.15 0.00 0.02 0.00 0.00 35.03 34.13 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 -1.05 0.08 -0.24 1.64 8.01 -0.85 -5.13 118.70 121.15 1jbj s GLU 175 Ca 0.08 0.41 -0.10 0.00 0.01 0.00 0.00 54.97 55.37 1jbj s GLU 175 Cb 0.07 -0.66 -0.05 0.00 -4.31 0.00 0.00 34.13 29.18 1jbj s GLU 175 CO 0.01 -0.43 0.15 0.99 0.01 0.00 0.00 175.26 175.98 1jbj s THR 176 N 2.29 5.19 0.43 3.63 2.01 -1.26 0.14 115.64 128.07 1jbj s THR 176 Ca 0.04 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 1jbj s THR 176 Cb -0.13 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 1jbj s THR 176 CO -0.08 0.34 0.89 -0.44 -0.69 0.00 0.00 174.62 174.64 1jbj s SER 177 N 1.15 6.72 0.49 3.53 0.01 -0.26 -4.90 113.70 120.45 1jbj s SER 177 Ca 0.07 1.47 -0.12 0.00 1.31 0.00 0.00 55.95 58.68 1jbj s SER 177 Cb -0.14 -2.46 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 1jbj s SER 177 CO 0.05 -0.42 0.90 0.20 0.41 0.00 0.00 173.24 174.38 1jbj s ASN 178 N -2.68 6.48 -0.39 2.44 0.01 -1.26 -2.74 114.94 116.80 1jbj s ASN 178 Ca 0.58 1.32 -0.36 0.00 -0.71 0.00 0.00 52.86 53.69 1jbj s ASN 178 Cb -0.10 -2.41 -0.12 0.00 0.41 0.00 0.00 41.25 39.03 1jbj s ASN 178 CO 0.23 -0.58 2.21 -0.81 -1.51 0.00 0.00 177.10 176.65 1jbj n PRO 179 N -1.78 0.94 -2.62 -0.60 -0.04 -1.25 -4.51 135.00 125.15 1jbj n PRO 179 Ca 0.04 0.25 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 1jbj n PRO 179 Cb 0.54 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jbj s LEU 180 N 7.39 3.92 -0.94 1.53 2.96 0.46 -4.23 118.68 129.77 1jbj s LEU 180 Ca 1.11 1.04 -0.21 0.00 -0.22 0.00 0.00 54.13 55.85 1jbj s LEU 180 Cb -0.91 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 42.33 1jbj s LEU 180 CO 0.50 -0.91 1.24 -1.58 -1.32 0.00 0.00 176.35 174.28 1jbj s GLN 181 N 3.73 3.55 -0.59 1.98 2.00 -1.14 -1.14 119.66 128.05 1jbj s GLN 181 Ca 0.47 -1.40 -0.21 0.00 -2.00 0.00 0.00 55.36 52.21 1jbj s GLN 181 Cb -0.12 -5.02 0.07 0.00 0.80 0.00 0.00 33.01 28.74 1jbj s GLN 181 CO 0.17 -1.96 0.83 0.08 -0.50 0.00 0.00 175.29 173.91 1jbj s VAL 182 N 3.76 4.57 -0.31 1.34 1.01 0.35 -1.71 120.40 129.42 1jbj s VAL 182 Ca 0.37 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1jbj s VAL 182 Cb -0.04 -4.53 0.03 0.00 0.00 0.00 0.00 36.38 31.84 1jbj s VAL 182 CO -0.08 -1.18 0.06 -0.47 0.00 0.00 0.00 175.10 173.43 1jbj s TYR 183 N 3.41 3.20 0.47 5.22 6.14 -1.02 -2.48 117.35 132.30 1jbj s TYR 183 Ca 0.19 -1.38 0.03 0.00 0.64 0.00 0.00 57.07 56.55 1jbj s TYR 183 Cb -0.18 -2.21 0.03 0.00 0.42 0.00 0.00 41.96 40.01 1jbj s TYR 183 CO 0.11 -0.70 0.21 0.66 0.64 0.00 0.00 175.55 176.48 1jbj n TYR 184 N 4.78 0.02 -1.75 4.97 4.01 -1.24 -1.37 117.16 126.59 1jbj n TYR 184 Ca -0.14 -2.13 -0.39 0.00 -0.16 0.00 0.00 57.90 55.09 1jbj n TYR 184 Cb 0.46 -0.36 0.03 0.00 -0.31 0.00 0.00 39.34 39.17 1jbj n TYR 184 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1jbj n ARG 185 N -1.43 1.91 0.00 -0.72 0.63 -1.24 -4.91 116.66 110.90 1jbj n ARG 185 Ca -0.09 0.69 0.12 0.00 -0.92 0.00 0.00 57.85 57.65 1jbj n ARG 185 Cb 0.56 -2.61 0.10 0.00 0.45 0.00 0.00 32.46 30.96 1jbj n ARG 185 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79