#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj s ASP 2 N 0.00 3.25 -0.13 1.67 2.15 -1.26 -5.10 116.67 117.25 1jbj s ASP 2 Ca 0.00 -1.80 -0.03 0.00 0.43 0.00 0.00 52.55 51.15 1jbj s ASP 2 Cb 0.00 -0.40 0.05 0.00 -0.30 0.00 0.00 42.92 42.27 1jbj s ASP 2 CO 0.00 -0.37 0.04 0.00 -0.17 0.00 0.00 175.17 174.67 1jbj s ALA 3 N 1.51 0.69 0.82 3.66 0.00 -1.26 -5.15 121.76 122.03 1jbj s ALA 3 Ca 0.14 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 1jbj s ALA 3 Cb -0.20 -0.94 0.08 0.00 0.00 0.00 0.00 23.12 22.06 1jbj s ALA 3 CO -0.16 -0.87 1.16 -1.83 0.00 0.00 0.00 175.76 174.07 1jbj s GLU 4 N 1.99 1.91 -0.45 0.00 -1.05 -1.26 -5.06 118.70 114.78 1jbj s GLU 4 Ca 0.02 0.18 0.04 0.00 -0.15 0.00 0.00 54.97 55.07 1jbj s GLU 4 Cb -0.15 -1.94 0.25 0.00 -0.44 0.00 0.00 34.13 31.86 1jbj s GLU 4 CO -0.07 -1.65 0.98 -1.71 0.95 0.00 0.00 175.26 173.77 1jbj n ASN 5 N -3.37 -2.54 -4.98 0.83 2.85 -1.26 -5.13 115.26 101.67 1jbj n ASN 5 Ca 0.08 -3.02 -0.21 0.00 -0.11 0.00 0.00 54.58 51.32 1jbj n ASN 5 Cb 0.60 1.62 0.02 0.00 1.24 0.00 0.00 39.78 43.27 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 0.55 2.30 0.43 -1.44 -1.09 -1.26 -5.13 121.20 115.54 1jbj s ILE 6 Ca 0.30 -1.15 0.07 0.00 -2.23 0.00 0.00 60.65 57.64 1jbj s ILE 6 Cb 0.23 -2.45 0.01 0.00 -1.58 0.00 0.00 42.46 38.67 1jbj s ILE 6 CO -0.20 0.00 0.58 -1.61 -1.23 0.00 0.00 174.94 172.48 1jbj s GLU 7 N -4.44 2.84 0.21 2.79 2.02 -1.26 -4.71 118.70 116.14 1jbj s GLU 7 Ca 0.53 -1.14 -0.31 0.00 0.02 0.00 0.00 54.97 54.07 1jbj s GLU 7 Cb -0.05 -2.73 -0.15 0.00 0.10 0.00 0.00 34.13 31.30 1jbj s GLU 7 CO 0.33 -0.28 1.20 0.66 0.02 0.00 0.00 175.26 177.19 1jbj n TYR 8 N -1.89 1.54 -4.07 1.61 4.01 -1.26 -4.83 117.16 112.27 1jbj n TYR 8 Ca 0.07 0.62 -0.33 0.00 -0.16 0.00 0.00 57.90 58.09 1jbj n TYR 8 Cb 0.59 -2.32 -0.15 0.00 -0.31 0.00 0.00 39.34 37.14 1jbj n TYR 8 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1jbj s LYS 9 N -0.61 2.76 0.00 -0.72 2.20 -1.05 -4.89 119.74 117.44 1jbj s LYS 9 Ca 0.69 -1.00 0.02 0.00 -0.36 0.00 0.00 55.97 55.33 1jbj s LYS 9 Cb -0.77 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1jbj s LYS 9 CO 0.53 -0.34 -0.03 0.08 -0.36 0.00 0.00 175.35 175.23 1jbj s VAL 10 N 1.25 3.95 -0.22 4.02 1.01 -1.26 0.92 120.40 130.07 1jbj s VAL 10 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1jbj s VAL 10 Cb -0.16 -2.75 0.10 0.00 0.00 0.00 0.00 36.38 33.58 1jbj s VAL 10 CO -0.09 0.38 0.45 -0.44 0.00 0.00 0.00 175.10 175.40 1jbj s SER 11 N -1.52 -0.37 -0.16 3.32 0.01 -0.05 -4.94 113.70 109.99 1jbj s SER 11 Ca 0.19 0.99 -0.26 0.00 1.31 0.00 0.00 55.95 58.18 1jbj s SER 11 Cb -0.11 1.49 -0.01 0.00 0.21 0.00 0.00 66.02 67.59 1jbj s SER 11 CO 0.09 -0.24 0.87 -0.63 0.41 0.00 0.00 173.24 173.74 1jbj s ILE 12 N 2.66 4.85 -0.19 1.44 1.01 -1.26 -0.07 121.20 129.65 1jbj s ILE 12 Ca -0.00 1.72 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1jbj s ILE 12 Cb -0.12 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1jbj s ILE 12 CO -0.14 0.01 -0.13 -0.44 0.00 0.00 0.00 174.94 174.24 1jbj s SER 13 N 1.15 3.22 -0.96 3.58 0.01 0.50 -4.86 113.70 116.34 1jbj s SER 13 Ca 0.40 -0.77 -0.12 0.00 1.31 0.00 0.00 55.95 56.77 1jbj s SER 13 Cb -0.17 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 64.79 1jbj s SER 13 CO 0.13 -0.10 0.66 0.61 0.41 0.00 0.00 173.24 174.95 1jbj n GLY 14 N 4.68 -1.14 2.86 3.44 0.00 -1.26 0.03 105.19 113.79 1jbj n GLY 14 Ca -0.16 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1jbj n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jbj n THR 15 N -3.40 0.00 -4.34 2.61 -1.04 -1.26 -4.82 114.28 102.03 1jbj n THR 15 Ca -0.20 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.56 1jbj n THR 15 Cb 0.63 -0.79 -0.09 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.01 4.13 -0.05 8.00 0.01 0.10 -2.21 113.70 121.68 1jbj s SER 16 Ca 0.00 -0.72 0.06 0.00 1.31 0.00 0.00 55.95 56.60 1jbj s SER 16 Cb 0.00 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 1jbj s SER 16 CO 0.00 0.06 -0.24 -0.69 0.41 0.00 0.00 173.24 172.78 1jbj s VAL 17 N -2.06 1.99 -0.30 3.43 1.01 0.26 0.19 120.40 124.92 1jbj s VAL 17 Ca 0.28 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1jbj s VAL 17 Cb -0.07 -1.67 0.08 0.00 0.00 0.00 0.00 36.38 34.72 1jbj s VAL 17 CO 0.16 0.55 0.01 -0.70 0.00 0.00 0.00 175.10 175.12 1jbj s GLU 18 N -0.23 1.49 0.15 2.72 2.12 0.90 0.26 118.70 126.12 1jbj s GLU 18 Ca -0.01 -1.44 -0.09 0.00 0.36 0.00 0.00 54.97 53.79 1jbj s GLU 18 Cb -0.13 -2.79 -0.06 0.00 0.26 0.00 0.00 34.13 31.41 1jbj s GLU 18 CO 0.03 -0.81 0.46 -0.51 -0.54 0.00 0.00 175.26 173.89 1jbj s LEU 19 N 1.18 4.26 -0.21 2.70 1.43 0.12 -0.87 118.68 127.30 1jbj s LEU 19 Ca 0.04 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1jbj s LEU 19 Cb -0.19 -3.34 0.02 0.00 0.03 0.00 0.00 46.19 42.72 1jbj s LEU 19 CO -0.10 0.05 -0.15 -0.89 0.23 0.00 0.00 176.35 175.49 1jbj s THR 20 N -1.62 2.36 0.22 5.49 2.01 0.26 -0.60 115.64 123.76 1jbj s THR 20 Ca 0.41 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1jbj s THR 20 Cb -0.13 -2.09 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 1jbj s THR 20 CO 0.21 0.40 1.05 0.00 -0.69 0.00 0.00 174.62 175.59 1jbj n PRO 22 N 1.86 0.63 -4.60 0.00 -0.04 -1.26 -4.65 135.00 126.93 1jbj n PRO 22 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.23 1jbj n PRO 22 Cb 0.46 -1.17 -0.16 0.00 -0.04 0.00 0.00 33.50 32.59 1jbj n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jbj s LEU 23 N -1.34 1.77 1.05 1.53 1.43 -1.26 -4.86 118.68 117.00 1jbj s LEU 23 Ca 0.10 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.69 1jbj s LEU 23 Cb 0.05 -0.79 -0.06 0.00 0.03 0.00 0.00 46.19 45.42 1jbj s LEU 23 CO 0.08 0.08 -0.78 -0.90 0.23 0.00 0.00 176.35 175.06 1jbj n ASP 24 N 3.45 -2.85 -4.45 2.29 5.68 -1.26 -4.62 116.55 114.78 1jbj n ASP 24 Ca -0.20 -0.04 -0.43 0.00 -0.50 0.00 0.00 54.79 53.62 1jbj n ASP 24 Cb 0.53 -0.74 -0.03 0.00 -1.14 0.00 0.00 41.12 39.74 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jbj s SER 25 N -1.40 6.42 0.63 -1.12 1.04 -1.26 -4.66 113.70 113.35 1jbj s SER 25 Ca 0.46 -1.58 -0.06 0.00 0.48 0.00 0.00 55.95 55.24 1jbj s SER 25 Cb -0.01 -2.41 0.02 0.00 0.10 0.00 0.00 66.02 63.72 1jbj s SER 25 CO 0.67 -1.24 0.94 -1.81 0.98 0.00 0.00 173.24 172.79 1jbj s ASP 26 N 3.72 5.38 0.00 7.02 1.01 -1.26 -4.89 116.67 127.64 1jbj s ASP 26 Ca 0.28 0.67 0.00 0.00 0.71 0.00 0.00 52.55 54.22 1jbj s ASP 26 Cb -0.10 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.27 1jbj s ASP 26 CO -0.01 -1.22 0.90 -0.62 0.21 0.00 0.00 175.17 174.43 1jbj n GLU 27 N -2.70 0.96 -0.36 8.23 1.02 -1.26 -2.54 120.64 124.00 1jbj n GLU 27 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1jbj n GLU 27 Cb 0.58 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 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 0.46 0.00 -4.75 1.62 3.02 -1.26 -5.06 115.26 109.29 1jbj n ASN 28 Ca 0.00 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.27 1jbj n ASN 28 Cb 0.45 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.11 3.41 2.96 -1.05 -4.18 118.68 124.42 1jbj s LEU 29 Ca 0.00 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 1jbj s LEU 29 Cb 0.00 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1jbj s LEU 29 CO 0.00 -0.28 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.17 1jbj s LYS 30 N -0.76 0.85 0.02 1.98 1.02 -0.86 -3.15 119.74 118.84 1jbj s LYS 30 Ca 0.49 -1.36 0.08 0.00 0.02 0.00 0.00 55.97 55.20 1jbj s LYS 30 Cb -0.32 -0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1jbj s LYS 30 CO 0.39 -0.07 -0.23 -1.58 -0.92 0.00 0.00 175.35 172.94 1jbj s TRP 31 N -3.71 2.04 -0.04 3.18 0.52 -1.18 -2.46 118.94 117.31 1jbj s TRP 31 Ca 0.14 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.88 1jbj s TRP 31 Cb 0.06 -1.26 0.02 0.00 -1.15 0.00 0.00 33.47 31.15 1jbj s TRP 31 CO -0.04 0.05 -0.02 -2.00 0.02 0.00 0.00 176.95 174.97 1jbj s GLU 32 N -0.96 0.55 0.05 4.98 2.12 0.44 -1.03 118.70 124.85 1jbj s GLU 32 Ca 0.09 -0.02 0.07 0.00 0.36 0.00 0.00 54.97 55.48 1jbj s GLU 32 Cb -0.09 -0.64 -0.03 0.00 0.26 0.00 0.00 34.13 33.63 1jbj s GLU 32 CO 0.01 -0.10 -0.20 -1.59 -0.54 0.00 0.00 175.26 172.83 1jbj s LYS 33 N 0.93 1.34 0.16 4.30 0.00 -0.18 0.14 119.74 126.43 1jbj s LYS 33 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 55.97 54.92 1jbj s LYS 33 Cb -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 37.83 36.24 1jbj s LYS 33 CO -0.01 0.37 0.00 0.09 0.00 0.00 0.00 175.35 175.80 1jbj n ASN 34 N 1.81 0.00 0.00 0.03 4.13 0.27 -0.19 115.26 121.31 1jbj n ASN 34 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 1jbj n ASN 34 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 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 0.33 3.80 7.41 0.00 -1.26 -5.02 105.19 110.44 1jbj n GLY 35 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1jbj n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jbj s GLN 36 N -0.36 2.93 -0.03 1.61 -0.21 0.74 -5.06 119.66 119.28 1jbj s GLN 36 Ca 0.00 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 54.69 1jbj s GLN 36 Cb 0.00 -2.71 -0.02 0.00 1.00 0.00 0.00 33.01 31.28 1jbj s GLN 36 CO 0.00 0.53 -0.23 -1.83 -2.12 0.00 0.00 175.29 171.64 1jbj s GLU 37 N -2.74 2.21 -0.32 2.91 1.03 -1.26 -1.01 118.70 119.51 1jbj s GLU 37 Ca 0.30 -0.87 0.01 0.00 0.03 0.00 0.00 54.97 54.45 1jbj s GLU 37 Cb -0.11 -2.13 0.08 0.00 -0.80 0.00 0.00 34.13 31.17 1jbj s GLU 37 CO 0.23 0.57 0.02 -0.48 -1.33 0.00 0.00 175.26 174.28 1jbj s LEU 38 N -0.64 4.32 0.00 1.83 2.34 -0.20 -5.00 118.68 121.34 1jbj s LEU 38 Ca 0.10 -1.75 -0.01 0.00 0.06 0.00 0.00 54.13 52.53 1jbj s LEU 38 Cb -0.10 -1.66 0.02 0.00 -0.56 0.00 0.00 46.19 43.89 1jbj s LEU 38 CO -0.01 -0.33 0.11 -0.81 -1.06 0.00 0.00 176.35 174.25 1jbj n PRO 39 N 4.43 -0.02 -1.99 1.48 -0.04 -1.26 -3.08 135.00 134.53 1jbj n PRO 39 Ca -0.05 -0.18 -0.20 0.00 -0.04 0.00 0.00 63.50 63.03 1jbj n PRO 39 Cb 0.42 -0.11 -0.05 0.00 -0.04 0.00 0.00 33.50 33.73 1jbj n PRO 39 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1jbj n GLN 40 N -1.22 -1.58 -3.40 0.54 -0.06 -1.26 -4.91 117.38 105.48 1jbj n GLN 40 Ca 0.01 1.09 -0.31 0.00 -2.00 0.00 0.00 57.00 55.79 1jbj n GLN 40 Cb 0.05 -5.60 -0.06 0.00 -4.06 0.00 0.00 30.24 20.56 1jbj n GLN 40 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1jbj n LYS 41 N -2.66 2.88 -1.05 3.69 4.01 -1.25 -4.90 118.16 118.88 1jbj n LYS 41 Ca -0.22 -4.62 -0.19 0.00 -0.51 0.00 0.00 58.31 52.77 1jbj n LYS 41 Cb 0.67 -2.33 0.01 0.00 -0.51 0.00 0.00 35.03 32.87 1jbj n LYS 41 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1jbj n HIS 42 N 1.19 1.53 -4.69 2.13 1.44 -1.19 -3.59 115.22 112.04 1jbj n HIS 42 Ca 0.27 -1.96 -0.26 0.00 -2.01 0.00 0.00 57.72 53.76 1jbj n HIS 42 Cb 0.38 -1.08 -0.14 0.00 0.12 0.00 0.00 29.99 29.27 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 0.25 2.57 0.14 4.39 -1.08 -1.26 -4.43 116.67 117.25 1jbj s ASP 43 Ca 0.39 -0.53 -0.10 0.00 -0.52 0.00 0.00 52.55 51.79 1jbj s ASP 43 Cb 0.28 -0.22 -0.05 0.00 -1.46 0.00 0.00 42.92 41.48 1jbj s ASP 43 CO -0.06 0.18 1.44 0.50 0.52 0.00 0.00 175.17 177.75 1jbj h LYS 44 N 4.89 0.86 -4.59 4.34 3.64 -1.83 -3.41 116.57 120.48 1jbj h LYS 44 Ca -0.43 -0.51 -0.71 0.00 -1.27 0.00 0.00 60.65 57.73 1jbj h LYS 44 Cb 1.16 0.05 -0.27 0.00 -0.41 0.00 0.00 32.23 32.76 1jbj h LYS 44 CO 0.44 1.15 -0.54 -3.38 -2.27 0.00 0.00 179.45 174.86 1jbj s HIS 45 N -4.21 3.27 -0.01 1.91 -3.43 -1.26 0.13 115.29 111.69 1jbj s HIS 45 Ca -0.10 -1.23 -0.24 0.00 -0.80 0.00 0.00 55.06 52.68 1jbj s HIS 45 Cb 0.11 -2.48 -0.04 0.00 -1.43 0.00 0.00 32.58 28.73 1jbj s HIS 45 CO 0.88 -0.72 0.73 -1.17 -2.00 0.00 0.00 174.74 172.47 1jbj s LEU 46 N 1.48 4.38 -0.04 5.38 2.96 0.23 -4.85 118.68 128.22 1jbj s LEU 46 Ca 0.01 1.32 -0.00 0.00 -0.22 0.00 0.00 54.13 55.23 1jbj s LEU 46 Cb -0.20 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 1jbj s LEU 46 CO 0.04 -0.05 0.02 -0.69 -1.32 0.00 0.00 176.35 174.35 1jbj s VAL 47 N 0.38 4.33 -0.44 1.68 1.01 -1.26 0.14 120.40 126.24 1jbj s VAL 47 Ca 0.38 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1jbj s VAL 47 Cb -0.19 -2.89 0.12 0.00 0.00 0.00 0.00 36.38 33.41 1jbj s VAL 47 CO 0.20 0.47 0.17 -0.76 0.00 0.00 0.00 175.10 175.18 1jbj s LEU 48 N -1.29 4.44 -0.14 3.92 1.43 0.74 -4.93 118.68 122.84 1jbj s LEU 48 Ca 0.17 -2.61 -0.27 0.00 -1.03 0.00 0.00 54.13 50.39 1jbj s LEU 48 Cb -0.12 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1jbj s LEU 48 CO 0.07 -0.30 0.92 -1.10 0.23 0.00 0.00 176.35 176.17 1jbj s GLN 49 N 0.27 4.35 -0.40 1.70 -0.21 -1.26 0.91 119.66 125.02 1jbj s GLN 49 Ca 0.14 1.19 -0.00 0.00 0.02 0.00 0.00 55.36 56.71 1jbj s GLN 49 Cb -0.23 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.22 1jbj s GLN 49 CO -0.04 -0.33 0.37 -3.47 -2.12 0.00 0.00 175.29 169.71 1jbj n ASP 50 N 5.15 -4.85 -4.77 5.90 2.03 -0.94 -4.96 116.55 114.10 1jbj n ASP 50 Ca 0.07 -0.09 -0.41 0.00 0.52 0.00 0.00 54.79 54.88 1jbj n ASP 50 Cb 0.49 -3.14 -0.01 0.00 -0.72 0.00 0.00 41.12 37.73 1jbj n ASP 50 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1jbj s PHE 51 N -3.03 2.80 -0.28 -0.67 5.36 -1.02 -5.01 117.98 116.12 1jbj s PHE 51 Ca 0.04 1.29 -0.02 0.00 -0.96 0.00 0.00 56.93 57.28 1jbj s PHE 51 Cb -0.00 -3.86 0.09 0.00 -0.34 0.00 0.00 43.02 38.91 1jbj s PHE 51 CO 0.38 -2.46 0.08 -1.12 -1.46 0.00 0.00 175.22 170.64 1jbj s SER 52 N -0.32 3.71 0.55 6.13 0.01 -1.26 -4.17 113.70 118.35 1jbj s SER 52 Ca 0.51 -1.39 0.22 0.00 1.31 0.00 0.00 55.95 56.60 1jbj s SER 52 Cb -0.43 -0.76 1.51 0.00 0.21 0.00 0.00 66.02 66.55 1jbj s SER 52 CO 0.58 -0.39 2.19 -0.08 0.41 0.00 0.00 173.24 175.96 1jbj h GLU 53 N 8.15 0.00 -0.26 12.44 4.81 -1.73 -1.06 114.58 136.94 1jbj h GLU 53 Ca -0.15 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1jbj h GLU 53 Cb 1.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1jbj h GLU 53 CO 0.43 0.00 0.04 0.28 -0.73 0.00 0.00 179.01 179.04 1jbj h VAL 54 N 0.00 1.14 -0.04 0.32 2.07 -1.91 -1.71 116.25 116.12 1jbj h VAL 54 Ca -0.00 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1jbj h VAL 54 Cb 0.01 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1jbj h VAL 54 CO 0.00 0.18 0.15 -0.33 0.02 0.00 0.00 177.57 177.59 1jbj h GLU 55 N 0.37 0.00 -3.19 1.57 5.08 -1.58 -3.46 114.58 113.37 1jbj h GLU 55 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1jbj h GLU 55 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jbj h GLU 55 CO -0.00 0.00 -0.00 -3.47 -1.00 0.00 0.00 179.01 174.54 1jbj n ASP 56 N -3.21 -2.47 -2.35 1.42 -0.08 -0.64 -5.09 116.55 104.12 1jbj n ASP 56 Ca -0.02 -0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.23 1jbj n ASP 56 Cb 0.23 -1.35 0.02 0.00 2.34 0.00 0.00 41.12 42.36 1jbj n ASP 56 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1jbj n SER 57 N -1.01 0.18 0.00 1.67 3.41 -1.26 -4.94 113.62 111.67 1jbj n SER 57 Ca 0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 1jbj n SER 57 Cb 0.46 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1jbj n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jbj n GLY 58 N 3.93 1.09 3.66 5.00 0.00 0.22 -4.74 105.19 114.35 1jbj n GLY 58 Ca 0.02 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1jbj n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbj s TYR 59 N 0.00 1.72 0.09 1.61 2.02 -1.24 0.99 117.35 122.54 1jbj s TYR 59 Ca 0.00 -0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 1jbj s TYR 59 Cb 0.00 -4.04 -0.04 0.00 -0.40 0.00 0.00 41.96 37.48 1jbj s TYR 59 CO 0.00 -4.46 -0.07 0.71 -1.57 0.00 0.00 175.55 170.16 1jbj s TYR 60 N 4.27 0.90 -0.03 2.71 1.51 0.17 0.95 117.35 127.82 1jbj s TYR 60 Ca 0.79 -0.85 -0.17 0.00 -1.01 0.00 0.00 57.07 55.83 1jbj s TYR 60 Cb -0.36 -0.51 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1jbj s TYR 60 CO 0.34 -0.12 0.37 0.54 -1.11 0.00 0.00 175.55 175.57 1jbj s VAL 61 N -3.29 0.05 -0.06 0.71 0.11 0.36 -0.35 120.40 117.93 1jbj s VAL 61 Ca 0.09 -0.38 -0.02 0.00 -2.93 0.00 0.00 61.98 58.75 1jbj s VAL 61 Cb 0.03 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1jbj s VAL 61 CO -0.04 -0.21 0.11 0.00 -3.33 0.00 0.00 175.10 171.64 1jbj s TYR 63 N 1.53 -0.44 0.17 0.00 1.13 -1.03 -4.52 117.35 114.20 1jbj s TYR 63 Ca -0.05 0.39 0.06 0.00 -1.41 0.00 0.00 57.07 56.07 1jbj s TYR 63 Cb -0.12 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1jbj s TYR 63 CO -0.05 -0.62 -0.13 -0.08 -2.51 0.00 0.00 175.55 172.16 1jbj s THR 64 N -2.88 1.49 0.21 -3.49 -1.32 -0.95 -2.02 115.64 106.69 1jbj s THR 64 Ca 0.01 -2.05 -0.09 0.00 -1.21 0.00 0.00 61.69 58.36 1jbj s THR 64 Cb -0.01 -1.87 0.15 0.00 -1.51 0.00 0.00 72.50 69.26 1jbj s THR 64 CO -0.07 -0.59 1.76 1.55 -2.21 0.00 0.00 174.62 175.07 1jbj h PRO 65 N 2.86 0.49 0.00 7.08 0.13 -2.00 0.60 132.00 141.17 1jbj h PRO 65 Ca -0.38 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1jbj h PRO 65 Cb 1.21 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jbj h PRO 65 CO 0.59 0.33 -0.12 0.00 -0.23 0.00 0.00 178.00 178.57 1jbj h ALA 66 N 1.41 1.27 -2.98 -0.56 0.00 -1.97 -3.35 119.26 113.08 1jbj h ALA 66 Ca 0.32 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.52 1jbj h ALA 66 Cb 0.35 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.72 1jbj h ALA 66 CO -0.27 0.15 -0.76 0.45 0.00 0.00 0.00 179.25 178.82 1jbj s SER 67 N -6.15 3.67 -1.34 0.00 0.15 0.19 -5.04 113.70 105.18 1jbj s SER 67 Ca -0.03 -2.27 -0.14 0.00 0.70 0.00 0.00 55.95 54.21 1jbj s SER 67 Cb 0.13 -0.90 0.10 0.00 -1.71 0.00 0.00 66.02 63.64 1jbj s SER 67 CO 0.58 -0.32 1.90 -3.20 1.20 0.00 0.00 173.24 173.41 1jbj n ASN 68 N 4.00 4.64 -4.18 5.45 2.85 -1.13 -2.23 115.26 124.65 1jbj n ASN 68 Ca 0.06 -2.95 -0.34 0.00 -0.11 0.00 0.00 54.58 51.25 1jbj n ASN 68 Cb 0.37 -1.62 -0.15 0.00 1.24 0.00 0.00 39.78 39.61 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1jbj s LYS 69 N 2.51 3.02 -0.21 1.20 2.20 -1.26 -5.07 119.74 122.13 1jbj s LYS 69 Ca 0.46 -0.83 -0.26 0.00 -0.36 0.00 0.00 55.97 54.98 1jbj s LYS 69 Cb 0.08 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1jbj s LYS 69 CO -0.01 -0.26 0.89 -0.80 -0.36 0.00 0.00 175.35 174.81 1jbj s ASN 70 N 1.33 6.95 -0.35 1.43 0.01 -1.26 -4.55 114.94 118.50 1jbj s ASN 70 Ca 0.04 1.18 -0.00 0.00 -0.71 0.00 0.00 52.86 53.37 1jbj s ASN 70 Cb -0.14 -2.47 0.12 0.00 0.41 0.00 0.00 41.25 39.17 1jbj s ASN 70 CO -0.09 -0.51 0.17 -0.89 -1.51 0.00 0.00 177.10 174.27 1jbj s THR 71 N 2.65 0.69 -0.41 1.60 2.01 -1.26 -5.08 115.64 115.84 1jbj s THR 71 Ca 0.39 -1.68 -0.21 0.00 0.31 0.00 0.00 61.69 60.50 1jbj s THR 71 Cb -0.16 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 70.86 1jbj s THR 71 CO 0.09 -0.82 0.65 -0.31 -0.69 0.00 0.00 174.62 173.55 1jbj s TYR 72 N 1.23 3.09 0.16 4.92 2.02 -1.26 -3.90 117.35 123.61 1jbj s TYR 72 Ca 0.14 0.11 0.06 0.00 -0.37 0.00 0.00 57.07 57.01 1jbj s TYR 72 Cb -0.20 -3.31 -0.04 0.00 -0.40 0.00 0.00 41.96 38.01 1jbj s TYR 72 CO -0.14 -0.80 0.03 -0.48 -1.57 0.00 0.00 175.55 172.59 1jbj s LEU 73 N 2.83 3.44 -0.37 -1.29 0.05 0.53 -4.55 118.68 119.31 1jbj s LEU 73 Ca 0.24 -0.30 -0.01 0.00 0.05 0.00 0.00 54.13 54.10 1jbj s LEU 73 Cb -0.14 -2.10 0.10 0.00 -2.05 0.00 0.00 46.19 42.00 1jbj s LEU 73 CO 0.18 0.10 0.14 -0.47 -0.55 0.00 0.00 176.35 175.74 1jbj s TYR 74 N -1.66 3.56 -0.26 3.48 5.04 0.23 0.43 117.35 128.18 1jbj s TYR 74 Ca 0.28 -2.43 0.01 0.00 -2.44 0.00 0.00 57.07 52.48 1jbj s TYR 74 Cb -0.10 -2.96 0.05 0.00 0.35 0.00 0.00 41.96 39.30 1jbj s TYR 74 CO 0.19 -0.94 -0.09 -1.17 -1.34 0.00 0.00 175.55 172.21 1jbj s LEU 75 N 1.11 3.31 -0.18 6.97 1.98 0.28 -0.76 118.68 131.39 1jbj s LEU 75 Ca 0.06 -1.16 -0.04 0.00 -2.89 0.00 0.00 54.13 50.09 1jbj s LEU 75 Cb -0.21 -1.60 0.06 0.00 0.66 0.00 0.00 46.19 45.10 1jbj s LEU 75 CO -0.04 -0.17 0.08 -0.75 -1.89 0.00 0.00 176.35 173.58 1jbj s LYS 76 N 1.20 0.19 0.36 1.98 2.20 -0.88 0.68 119.74 125.47 1jbj s LYS 76 Ca -0.04 -0.19 -0.11 0.00 -0.36 0.00 0.00 55.97 55.26 1jbj s LYS 76 Cb -0.18 -1.84 0.03 0.00 -1.51 0.00 0.00 37.83 34.33 1jbj s LYS 76 CO -0.05 -0.69 0.66 0.00 -0.36 0.00 0.00 175.35 174.91 1jbj s ALA 77 N 2.08 -0.22 0.08 3.13 0.00 -1.26 -3.62 121.76 121.95 1jbj s ALA 77 Ca 0.02 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1jbj s ALA 77 Cb -0.16 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1jbj s ALA 77 CO -0.11 -0.92 -0.09 0.50 0.00 0.00 0.00 175.76 175.15 1jbj s ARG 78 N -2.72 0.76 0.05 0.00 3.52 -1.26 -3.69 118.95 115.61 1jbj s ARG 78 Ca 0.21 -1.11 -0.01 0.00 -0.13 0.00 0.00 55.73 54.69 1jbj s ARG 78 Cb -0.03 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 1jbj s ARG 78 CO 0.14 0.05 -0.03 0.14 -0.81 0.00 0.00 175.30 174.79 1jbj s VAL 79 N -2.49 0.22 0.00 7.11 -7.23 -1.26 -4.98 120.40 111.77 1jbj s VAL 79 Ca 0.03 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1jbj s VAL 79 Cb -0.02 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.42 1jbj s VAL 79 CO -0.01 -0.99 0.00 0.61 -0.31 0.00 0.00 175.10 174.40 1jbj n GLY 80 N 0.13 1.06 2.62 2.32 0.00 -1.26 -2.32 105.19 107.74 1jbj n GLY 80 Ca -0.14 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.94 7.51 -2.50 1.61 3.41 -1.26 -4.70 113.62 114.75 1jbj n SER 81 Ca 0.00 -3.53 -0.34 0.00 -0.26 0.00 0.00 58.87 54.74 1jbj n SER 81 Cb 0.00 -1.21 0.04 0.00 -0.26 0.00 0.00 64.21 62.78 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 0.41 5.99 -2.65 7.33 0.00 -0.98 -4.34 120.51 126.27 1jbj n ALA 82 Ca 0.52 -3.88 -0.01 0.00 0.00 0.00 0.00 53.44 50.07 1jbj n ALA 82 Cb 0.27 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.36 1jbj n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jbj n ASP 83 N -0.69 0.17 -3.16 0.00 -0.08 -1.26 -4.21 116.55 107.32 1jbj n ASP 83 Ca 0.53 -2.08 -0.29 0.00 -1.51 0.00 0.00 54.79 51.44 1jbj n ASP 83 Cb 0.57 0.03 -0.04 0.00 2.34 0.00 0.00 41.12 44.02 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1jbj n ASP 84 N -0.73 4.68 -0.89 1.67 -0.08 -1.26 -5.08 116.55 114.87 1jbj n ASP 84 Ca -0.06 -3.62 0.00 0.00 -1.51 0.00 0.00 54.79 49.60 1jbj n ASP 84 Cb 0.86 -0.67 -0.00 0.00 2.34 0.00 0.00 41.12 43.65 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 0.09 -0.03 -2.81 -1.67 0.00 -1.26 -4.99 120.51 109.84 1jbj n ALA 85 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.67 1jbj n ALA 85 Cb 0.38 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1jbj n ALA 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jbj s LYS 86 N -0.02 1.35 -0.26 0.00 0.00 -1.26 -5.10 119.74 114.46 1jbj s LYS 86 Ca 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 55.97 54.54 1jbj s LYS 86 Cb 0.00 0.39 0.11 0.00 0.00 0.00 0.00 37.83 38.33 1jbj s LYS 86 CO 0.00 -0.52 0.57 -1.59 0.00 0.00 0.00 175.35 173.81 1jbj s LYS 87 N -4.04 0.51 -1.40 1.78 -2.85 -1.26 -4.93 119.74 107.54 1jbj s LYS 87 Ca 0.25 1.26 -0.09 0.00 -1.00 0.00 0.00 55.97 56.39 1jbj s LYS 87 Cb 0.02 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.39 1jbj s LYS 87 CO 0.07 -0.21 1.05 -3.47 0.10 0.00 0.00 175.35 172.89 1jbj n ASP 88 N 5.21 -4.84 -3.50 0.03 2.03 -1.26 -4.95 116.55 109.27 1jbj n ASP 88 Ca -0.13 -0.66 -0.27 0.00 0.52 0.00 0.00 54.79 54.25 1jbj n ASP 88 Cb 0.51 -4.53 -0.09 0.00 -0.72 0.00 0.00 41.12 36.28 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jbj n ALA 89 N -4.73 3.24 -0.94 -1.67 0.00 -1.26 -5.10 120.51 110.04 1jbj n ALA 89 Ca -0.04 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.40 1jbj n ALA 89 Cb 0.57 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1jbj n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbj n ALA 90 N 1.77 0.00 0.00 0.00 0.00 -1.26 -4.77 120.51 116.26 1jbj n ALA 90 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1jbj n ALA 90 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1jbj n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 91 N -1.07 0.00 -1.13 0.00 3.00 -1.26 -4.82 118.16 112.88 1jbj n LYS 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jbj n LYS 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1jbj n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jbj n LYS 92 N 0.00 -3.09 -1.25 1.64 0.00 -1.26 -5.00 118.16 109.20 1jbj n LYS 92 Ca 0.00 2.25 -0.30 0.00 0.00 0.00 0.00 58.31 60.26 1jbj n LYS 92 Cb 0.00 -2.45 0.21 0.00 0.00 0.00 0.00 35.03 32.80 1jbj n LYS 92 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jbj s ASP 93 N -1.47 1.69 -0.54 3.14 2.15 -1.26 -4.62 116.67 115.76 1jbj s ASP 93 Ca 0.00 0.68 -0.11 0.00 0.43 0.00 0.00 52.55 53.56 1jbj s ASP 93 Cb 0.00 -0.99 0.01 0.00 -0.30 0.00 0.00 42.92 41.65 1jbj s ASP 93 CO 0.00 -3.66 0.63 -0.67 -0.17 0.00 0.00 175.17 171.31 1jbj n ASP 94 N -4.45 -7.87 -3.38 -0.34 2.03 -1.26 -5.00 116.55 96.27 1jbj n ASP 94 Ca 0.12 0.32 -0.29 0.00 0.52 0.00 0.00 54.79 55.45 1jbj n ASP 94 Cb 0.59 -5.32 0.26 0.00 -0.72 0.00 0.00 41.12 35.93 1jbj n ASP 94 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jbj n ALA 95 N -0.81 -4.05 -2.84 -1.67 0.00 -1.26 -4.96 120.51 104.92 1jbj n ALA 95 Ca 0.07 -1.53 -0.35 0.00 0.00 0.00 0.00 53.44 51.64 1jbj n ALA 95 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 1jbj n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 96 N -5.13 4.31 -2.69 0.00 4.76 -1.26 -4.94 118.16 113.22 1jbj n LYS 96 Ca 0.14 -4.74 -0.04 0.00 -2.87 0.00 0.00 58.31 50.80 1jbj n LYS 96 Cb 0.57 -2.37 -0.03 0.00 -1.84 0.00 0.00 35.03 31.36 1jbj n LYS 96 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1jbj n LYS 97 N 0.04 -3.98 -1.35 1.97 4.81 -1.26 -4.79 118.16 113.59 1jbj n LYS 97 Ca 0.38 3.06 0.18 0.00 -0.87 0.00 0.00 58.31 61.07 1jbj n LYS 97 Cb 0.33 -4.57 -0.05 0.00 0.02 0.00 0.00 35.03 30.76 1jbj n LYS 97 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jbj n ASP 98 N 1.64 -8.01 -4.68 3.14 9.92 -1.26 -4.66 116.55 112.64 1jbj n ASP 98 Ca -0.30 0.54 -0.43 0.00 -0.53 0.00 0.00 54.79 54.07 1jbj n ASP 98 Cb 0.48 -4.09 -0.02 0.00 -0.64 0.00 0.00 41.12 36.85 1jbj n ASP 98 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1jbj s ASP 99 N -6.82 7.05 -0.50 -2.24 1.01 -1.26 -4.93 116.67 108.99 1jbj s ASP 99 Ca 0.00 1.71 -0.03 0.00 0.71 0.00 0.00 52.55 54.94 1jbj s ASP 99 Cb 0.00 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.51 1jbj s ASP 99 CO 0.00 -0.62 2.57 0.00 0.21 0.00 0.00 175.17 177.33 1jbj n ALA 100 N 5.61 6.32 0.00 5.23 0.00 -1.26 -4.08 120.51 132.33 1jbj n ALA 100 Ca 0.11 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1jbj n ALA 100 Cb 0.46 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1jbj n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 101 N 0.57 1.58 0.00 0.00 3.00 -1.26 -4.40 118.16 117.65 1jbj n LYS 101 Ca 0.48 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.94 1jbj n LYS 101 Cb 0.52 -0.96 0.86 0.00 0.00 0.00 0.00 35.03 35.45 1jbj n LYS 101 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1jbj n LYS 102 N -2.18 0.79 -1.20 1.64 4.01 -1.26 -3.43 118.16 116.54 1jbj n LYS 102 Ca 0.00 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.56 1jbj n LYS 102 Cb 0.46 -1.50 0.17 0.00 -0.51 0.00 0.00 35.03 33.65 1jbj n LYS 102 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1jbj n ASP 103 N -1.09 4.03 -1.87 4.39 5.75 -1.26 -4.87 116.55 121.63 1jbj n ASP 103 Ca 0.20 -3.57 -0.19 0.00 -0.01 0.00 0.00 54.79 51.22 1jbj n ASP 103 Cb 0.14 -0.84 -0.04 0.00 -1.03 0.00 0.00 41.12 39.35 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jbj n GLY 104 N -1.08 0.52 3.60 6.12 0.00 -1.22 -4.97 105.19 108.16 1jbj n GLY 104 Ca 0.58 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.42 2.04 -0.18 1.61 0.01 -1.25 -5.01 113.70 108.49 1jbj s SER 105 Ca 0.00 1.46 -0.09 0.00 1.31 0.00 0.00 55.95 58.63 1jbj s SER 105 Cb 0.00 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 1jbj s SER 105 CO 0.00 -3.54 0.10 -1.10 0.41 0.00 0.00 173.24 169.12 1jbj s GLN 106 N -4.71 4.03 -0.31 12.44 1.11 -1.26 -4.96 119.66 126.00 1jbj s GLN 106 Ca 0.66 -0.26 0.02 0.00 0.01 0.00 0.00 55.36 55.79 1jbj s GLN 106 Cb -0.22 -3.32 0.31 0.00 -1.01 0.00 0.00 33.01 28.78 1jbj s GLN 106 CO 0.61 0.34 1.38 -2.37 0.01 0.00 0.00 175.29 175.25 1jbj n THR 107 N 3.37 0.00 -1.62 -0.19 5.66 -1.26 -5.11 114.28 115.13 1jbj n THR 107 Ca -0.17 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.26 1jbj n THR 107 Cb 0.52 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 1jbj n THR 107 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jbj n ASN 108 N 0.84 -6.88 -4.47 1.09 4.05 -1.26 -5.03 115.26 103.59 1jbj n ASN 108 Ca -0.04 0.98 -0.31 0.00 0.45 0.00 0.00 54.58 55.66 1jbj n ASN 108 Cb 0.75 -3.84 -0.13 0.00 1.23 0.00 0.00 39.78 37.79 1jbj n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1jbj s LYS 109 N -1.34 2.17 -0.23 1.20 1.02 -1.26 -5.13 119.74 116.18 1jbj s LYS 109 Ca 0.00 -0.92 -0.26 0.00 0.02 0.00 0.00 55.97 54.81 1jbj s LYS 109 Cb 0.00 -2.24 0.08 0.00 -0.52 0.00 0.00 37.83 35.15 1jbj s LYS 109 CO 0.00 0.56 0.76 0.00 -0.92 0.00 0.00 175.35 175.75 1jbj s ALA 110 N -0.90 -1.81 -0.69 5.17 0.00 -1.26 -5.11 121.76 117.16 1jbj s ALA 110 Ca 0.14 1.88 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 1jbj s ALA 110 Cb -0.11 -1.00 0.17 0.00 0.00 0.00 0.00 23.12 22.18 1jbj s ALA 110 CO 0.05 -0.33 0.50 0.15 0.00 0.00 0.00 175.76 176.13 1jbj s LYS 111 N 0.06 2.64 0.73 0.00 1.02 -1.26 -5.08 119.74 117.85 1jbj s LYS 111 Ca -0.01 -2.84 -0.11 0.00 0.02 0.00 0.00 55.97 53.02 1jbj s LYS 111 Cb -0.04 -3.69 0.03 0.00 -0.52 0.00 0.00 37.83 33.61 1jbj s LYS 111 CO 0.02 -1.20 1.10 0.54 -0.92 0.00 0.00 175.35 174.89 1jbj s ASN 112 N 0.04 5.22 -0.05 2.83 4.22 -1.26 -5.05 114.94 120.89 1jbj s ASN 112 Ca 0.21 1.14 -0.04 0.00 -2.14 0.00 0.00 52.86 52.02 1jbj s ASN 112 Cb -0.16 -1.91 -0.01 0.00 1.28 0.00 0.00 41.25 40.45 1jbj s ASN 112 CO -0.07 -1.49 -0.09 0.18 -2.04 0.00 0.00 177.10 173.60 1jbj n LEU 113 N -3.10 0.65 -4.82 3.54 4.32 -1.26 -4.96 117.00 111.37 1jbj n LEU 113 Ca 0.07 0.28 -0.36 0.00 -0.02 0.00 0.00 56.01 55.97 1jbj n LEU 113 Cb 0.57 -0.61 -0.07 0.00 -1.62 0.00 0.00 43.42 41.69 1jbj n LEU 113 CO 0.57 -0.46 -0.14 0.54 -1.22 0.00 0.00 177.39 176.68 1jbj s VAL 114 N -1.53 5.43 0.04 4.08 0.11 -1.26 -4.51 120.40 122.76 1jbj s VAL 114 Ca -0.07 0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1jbj s VAL 114 Cb 0.01 -3.46 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 1jbj s VAL 114 CO 0.11 0.54 -0.01 -1.58 -3.33 0.00 0.00 175.10 170.83 1jbj s GLN 115 N -0.48 0.49 0.08 1.54 0.74 -0.90 -5.03 119.66 116.11 1jbj s GLN 115 Ca 0.14 -0.91 0.09 0.00 0.05 0.00 0.00 55.36 54.73 1jbj s GLN 115 Cb -0.12 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 1jbj s GLN 115 CO 0.03 -0.09 -0.25 0.54 -0.55 0.00 0.00 175.29 174.96 1jbj s VAL 116 N -2.77 2.06 0.22 1.34 0.11 -1.26 0.13 120.40 120.23 1jbj s VAL 116 Ca -0.04 -1.51 0.02 0.00 -2.93 0.00 0.00 61.98 57.53 1jbj s VAL 116 Cb -0.00 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1jbj s VAL 116 CO -0.06 0.20 0.38 -1.81 -3.33 0.00 0.00 175.10 170.48 1jbj s ASP 117 N -1.59 6.34 0.00 3.54 1.01 0.28 -4.90 116.67 121.35 1jbj s ASP 117 Ca 0.11 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.63 1jbj s ASP 117 Cb -0.10 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1jbj s ASP 117 CO 0.04 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1jbj n GLY 118 N -1.04 0.00 3.25 0.21 0.00 -1.25 -2.05 105.19 104.30 1jbj n GLY 118 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 119 N -3.25 6.67 -0.14 1.61 0.15 -1.26 -3.44 113.70 114.04 1jbj s SER 119 Ca 0.00 -3.42 0.16 0.00 0.70 0.00 0.00 55.95 53.40 1jbj s SER 119 Cb 0.00 -2.09 0.72 0.00 -1.71 0.00 0.00 66.02 62.94 1jbj s SER 119 CO 0.00 -0.31 1.62 0.54 1.20 0.00 0.00 173.24 176.29 1jbj n ARG 120 N 2.88 3.92 0.00 5.44 1.74 -1.25 -4.93 116.66 124.45 1jbj n ARG 120 Ca 0.20 -2.81 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 1jbj n ARG 120 Cb 0.40 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 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 0.98 3.06 0.35 -0.13 0.00 -1.26 -4.70 105.19 103.50 1jbj n GLY 121 Ca 0.25 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.50 1jbj n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbj n ASP 122 N 1.19 1.68 0.00 1.61 8.00 -1.26 -4.97 116.55 122.80 1jbj n ASP 122 Ca 0.00 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1jbj n ASP 122 Cb 0.00 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 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 1.36 1.25 3.87 0.44 0.00 -1.26 -4.98 105.19 105.86 1jbj n GLY 123 Ca 0.07 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1jbj n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 124 N -2.46 6.67 -0.23 1.61 0.01 -1.22 -2.24 113.70 115.85 1jbj s SER 124 Ca 0.00 0.87 -0.10 0.00 1.31 0.00 0.00 55.95 58.03 1jbj s SER 124 Cb 0.00 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1jbj s SER 124 CO 0.00 0.10 0.15 -0.69 0.41 0.00 0.00 173.24 173.21 1jbj s VAL 125 N -1.51 5.37 -0.30 3.43 1.01 -0.73 -3.92 120.40 123.76 1jbj s VAL 125 Ca 0.38 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.56 1jbj s VAL 125 Cb -0.14 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1jbj s VAL 125 CO 0.20 0.37 0.03 -0.76 0.00 0.00 0.00 175.10 174.94 1jbj s LEU 126 N 0.84 3.38 -0.35 3.92 1.02 -0.87 -2.56 118.68 124.06 1jbj s LEU 126 Ca 0.08 -1.70 -0.29 0.00 0.02 0.00 0.00 54.13 52.24 1jbj s LEU 126 Cb -0.13 -1.28 0.02 0.00 0.02 0.00 0.00 46.19 44.82 1jbj s LEU 126 CO 0.02 -0.34 1.09 -0.22 0.02 0.00 0.00 176.35 176.92 1jbj s LEU 127 N 1.25 3.88 -0.04 1.79 0.20 -0.25 0.10 118.68 125.60 1jbj s LEU 127 Ca 0.05 0.95 -0.04 0.00 0.69 0.00 0.00 54.13 55.78 1jbj s LEU 127 Cb -0.19 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 41.99 1jbj s LEU 127 CO -0.12 -0.95 0.18 0.42 -0.29 0.00 0.00 176.35 175.59 1jbj s THR 128 N 3.80 5.45 -0.23 3.68 -4.23 0.35 0.20 115.64 124.66 1jbj s THR 128 Ca 0.46 -0.01 0.20 0.00 -1.18 0.00 0.00 61.69 61.17 1jbj s THR 128 Cb -0.11 -3.50 0.46 0.00 1.34 0.00 0.00 72.50 70.69 1jbj s THR 128 CO 0.18 0.43 1.20 0.00 -0.54 0.00 0.00 174.62 175.89 1jbj n GLY 130 N -0.64 4.36 2.97 0.00 0.00 -1.26 -4.83 105.19 105.79 1jbj n GLY 130 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 1jbj n GLY 130 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jbj n LEU 131 N 2.05 0.68 -1.24 0.99 -0.00 -1.26 -3.99 117.00 114.24 1jbj n LEU 131 Ca 0.59 -1.27 -0.16 0.00 -0.00 0.00 0.00 56.01 55.17 1jbj n LEU 131 Cb 0.45 -0.58 -0.07 0.00 -0.00 0.00 0.00 43.42 43.22 1jbj n LEU 131 CO 0.52 -1.04 -0.15 0.35 -0.00 0.00 0.00 177.39 177.07 1jbj n THR 132 N 4.98 0.00 -4.03 1.47 -2.24 -1.26 -4.86 114.28 108.34 1jbj n THR 132 Ca 0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.52 1jbj n THR 132 Cb 0.03 -1.70 -0.06 0.00 -2.10 0.00 0.00 70.33 66.50 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 -2.70 5.91 0.00 3.42 1.01 -1.26 -4.98 116.67 118.08 1jbj s ASP 133 Ca 0.00 0.21 0.30 0.00 0.71 0.00 0.00 52.55 53.77 1jbj s ASP 133 Cb 0.00 -1.76 1.46 0.00 1.01 0.00 0.00 42.92 43.64 1jbj s ASP 133 CO 0.00 0.27 1.98 0.29 0.21 0.00 0.00 175.17 177.92 1jbj n LYS 134 N 1.11 1.19 -4.26 8.23 5.02 -1.26 -4.80 118.16 123.39 1jbj n LYS 134 Ca -0.12 -0.40 -0.17 0.00 -2.02 0.00 0.00 58.31 55.59 1jbj n LYS 134 Cb 0.53 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.91 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jbj s THR 135 N -2.09 0.69 -0.19 -0.18 2.01 -1.26 -4.94 115.64 109.69 1jbj s THR 135 Ca 0.41 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1jbj s THR 135 Cb 0.21 -0.63 0.06 0.00 0.01 0.00 0.00 72.50 72.15 1jbj s THR 135 CO 0.38 0.03 0.04 -0.63 -0.69 0.00 0.00 174.62 173.75 1jbj s ILE 136 N -0.55 0.40 -0.27 1.82 -1.09 -1.26 -3.74 121.20 116.51 1jbj s ILE 136 Ca 0.00 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 1jbj s ILE 136 Cb -0.05 -0.93 0.07 0.00 -1.58 0.00 0.00 42.46 39.97 1jbj s ILE 136 CO 0.00 -0.21 -0.04 -0.75 -1.23 0.00 0.00 174.94 172.72 1jbj s LYS 137 N 1.92 1.67 0.15 2.79 2.20 -0.79 -4.93 119.74 122.75 1jbj s LYS 137 Ca -0.00 -1.24 -0.09 0.00 -0.36 0.00 0.00 55.97 54.28 1jbj s LYS 137 Cb -0.17 -2.72 -0.06 0.00 -1.51 0.00 0.00 37.83 33.37 1jbj s LYS 137 CO -0.08 -0.68 0.46 -0.46 -0.36 0.00 0.00 175.35 174.22 1jbj s TRP 138 N 1.25 3.50 0.03 4.03 -0.11 -1.26 0.41 118.94 126.80 1jbj s TRP 138 Ca -0.02 0.78 -0.02 0.00 1.22 0.00 0.00 56.10 58.06 1jbj s TRP 138 Cb -0.19 -2.17 -0.02 0.00 -1.50 0.00 0.00 33.47 29.59 1jbj s TRP 138 CO -0.08 0.41 0.01 -0.51 -4.62 0.00 0.00 176.95 172.16 1jbj s LEU 139 N -2.41 2.14 -0.20 5.86 1.02 0.75 -2.53 118.68 123.31 1jbj s LEU 139 Ca 0.40 -0.60 0.01 0.00 0.02 0.00 0.00 54.13 53.97 1jbj s LEU 139 Cb -0.13 0.29 0.04 0.00 0.02 0.00 0.00 46.19 46.40 1jbj s LEU 139 CO 0.21 -0.42 -0.15 -0.54 0.02 0.00 0.00 176.35 175.46 1jbj s LYS 140 N -2.29 2.55 -0.98 1.70 1.02 0.27 -1.85 119.74 120.16 1jbj s LYS 140 Ca -0.08 -0.95 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 1jbj s LYS 140 Cb -0.04 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1jbj s LYS 140 CO -0.04 -0.35 0.04 -0.25 -0.92 0.00 0.00 175.35 173.84 1jbj n ASP 141 N 4.59 -3.64 0.00 2.83 9.92 -1.26 0.22 116.55 129.21 1jbj n ASP 141 Ca -0.18 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jbj n ASP 141 Cb 0.47 -3.10 0.00 0.00 -0.64 0.00 0.00 41.12 37.85 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 -0.81 0.76 3.30 0.44 0.00 -1.26 -5.08 105.19 102.54 1jbj n GLY 142 Ca -0.12 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.34 3.42 -0.10 1.61 0.15 0.13 -5.09 113.70 111.48 1jbj s SER 143 Ca 0.00 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 55.90 1jbj s SER 143 Cb 0.00 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.03 1jbj s SER 143 CO 0.00 0.20 1.35 -0.63 1.20 0.00 0.00 173.24 175.37 1jbj s ILE 144 N 0.10 4.04 -0.23 6.45 1.09 -1.26 0.95 121.20 132.34 1jbj s ILE 144 Ca -0.10 1.31 -0.04 0.00 -1.10 0.00 0.00 60.65 60.72 1jbj s ILE 144 Cb -0.16 -3.84 0.08 0.00 -1.06 0.00 0.00 42.46 37.48 1jbj s ILE 144 CO 0.06 -0.08 0.10 -0.51 -0.10 0.00 0.00 174.94 174.41 1jbj s ILE 145 N 3.20 0.04 0.21 2.92 2.07 -1.05 -4.92 121.20 123.67 1jbj s ILE 145 Ca 0.60 -0.50 0.10 0.00 -1.41 0.00 0.00 60.65 59.44 1jbj s ILE 145 Cb -0.26 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 1jbj s ILE 145 CO 0.21 -0.47 -0.16 -0.44 -1.91 0.00 0.00 174.94 172.17 1jbj s SER 146 N 2.06 3.85 0.98 4.50 0.01 -1.26 -4.40 113.70 119.44 1jbj s SER 146 Ca 0.05 -0.77 -0.14 0.00 1.31 0.00 0.00 55.95 56.40 1jbj s SER 146 Cb -0.16 -0.48 0.18 0.00 0.21 0.00 0.00 66.02 65.77 1jbj s SER 146 CO -0.20 0.09 1.14 -2.16 0.41 0.00 0.00 173.24 172.52 1jbj s PRO 147 N -2.93 0.56 -0.31 12.44 0.04 -1.26 -5.05 135.00 138.49 1jbj s PRO 147 Ca 0.24 0.21 -0.00 0.00 0.04 0.00 0.00 61.00 61.49 1jbj s PRO 147 Cb -0.08 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.75 1jbj s PRO 147 CO 0.13 -2.57 0.00 -1.17 0.04 0.00 0.00 177.00 173.43 1jbj s LEU 148 N -6.25 4.01 -1.36 -3.56 1.98 -1.26 -4.63 118.68 107.61 1jbj s LEU 148 Ca 0.66 -1.46 -0.00 0.00 -2.89 0.00 0.00 54.13 50.44 1jbj s LEU 148 Cb -0.14 -1.68 0.00 0.00 0.66 0.00 0.00 46.19 45.03 1jbj s LEU 148 CO 0.55 -0.28 0.06 0.59 -1.89 0.00 0.00 176.35 175.37 1jbj n ASN 149 N 4.54 -4.84 -3.77 3.68 4.13 -1.26 -5.00 115.26 112.74 1jbj n ASN 149 Ca -0.11 -0.04 -0.13 0.00 1.68 0.00 0.00 54.58 55.98 1jbj n ASN 149 Cb 0.43 -3.93 -0.13 0.00 -1.54 0.00 0.00 39.78 34.60 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 -2.83 -0.38 -0.44 5.41 0.00 -1.26 -5.08 121.76 117.18 1jbj s ALA 150 Ca 0.03 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1jbj s ALA 150 Cb -0.01 -0.42 0.28 0.00 0.00 0.00 0.00 23.12 22.96 1jbj s ALA 150 CO 0.03 -0.14 1.06 -2.37 0.00 0.00 0.00 175.76 174.35 1jbj n THR 151 N 3.76 0.00 -1.54 0.00 5.66 -1.26 -4.61 114.28 116.28 1jbj n THR 151 Ca -0.21 -1.28 -0.37 0.00 -3.05 0.00 0.00 64.05 59.14 1jbj n THR 151 Cb 0.55 1.39 0.07 0.00 -1.55 0.00 0.00 70.33 70.78 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 1.14 2.71 -1.32 1.09 4.81 -1.26 -4.79 118.16 120.54 1jbj n LYS 152 Ca 0.05 -3.37 -0.12 0.00 -0.87 0.00 0.00 58.31 54.01 1jbj n LYS 152 Cb 0.68 -2.28 -0.05 0.00 0.02 0.00 0.00 35.03 33.39 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 -0.77 -5.09 -4.77 3.14 6.94 -1.26 -4.93 115.26 108.51 1jbj n ASN 153 Ca 0.60 0.30 -0.32 0.00 -0.02 0.00 0.00 54.58 55.13 1jbj n ASN 153 Cb 0.50 -3.98 -0.07 0.00 -2.36 0.00 0.00 39.78 33.87 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1jbj s THR 154 N -1.99 1.24 -0.02 5.53 -4.23 -1.26 -2.30 115.64 112.61 1jbj s THR 154 Ca 0.00 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1jbj s THR 154 Cb 0.00 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.65 1jbj s THR 154 CO 0.00 0.00 -0.05 0.86 -0.54 0.00 0.00 174.62 174.89 1jbj s TRP 155 N -2.86 0.65 -0.68 3.99 -0.00 0.53 -4.83 118.94 115.74 1jbj s TRP 155 Ca 0.09 -0.15 -0.27 0.00 -0.00 0.00 0.00 56.10 55.78 1jbj s TRP 155 Cb 0.02 -0.51 0.03 0.00 -0.00 0.00 0.00 33.47 33.01 1jbj s TRP 155 CO 0.05 -0.09 1.21 1.21 -0.00 0.00 0.00 176.95 179.33 1jbj s ASN 156 N 0.35 6.25 -0.02 5.86 3.84 -1.26 -1.10 114.94 128.86 1jbj s ASN 156 Ca -0.04 -0.34 0.13 0.00 0.21 0.00 0.00 52.86 52.81 1jbj s ASN 156 Cb -0.08 -2.54 -0.22 0.00 -0.55 0.00 0.00 41.25 37.86 1jbj s ASN 156 CO -0.00 -1.68 0.72 -0.07 -2.79 0.00 0.00 177.10 173.28 1jbj h LEU 157 N 12.50 0.00 0.00 3.21 3.38 -1.91 -3.50 115.31 129.00 1jbj h LEU 157 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jbj h LEU 157 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1jbj h LEU 157 CO 1.24 0.95 0.00 0.61 0.09 0.00 0.00 178.44 181.33 1jbj n GLY 158 N 1.52 0.46 3.33 0.83 0.00 -1.26 -3.96 105.19 106.11 1jbj n GLY 158 Ca -0.15 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 4.12 0.53 1.61 3.84 -1.26 -1.77 114.94 118.01 1jbj s ASN 159 Ca 0.00 -0.37 0.44 0.00 0.21 0.00 0.00 52.86 53.13 1jbj s ASN 159 Cb 0.00 -1.67 1.64 0.00 -0.55 0.00 0.00 41.25 40.67 1jbj s ASN 159 CO 0.00 0.06 1.62 0.78 -2.79 0.00 0.00 177.10 176.77 1jbj h ASN 160 N 7.49 0.06 -0.75 -4.21 2.35 -1.80 1.03 115.58 119.75 1jbj h ASN 160 Ca -0.36 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1jbj h ASN 160 Cb 1.18 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.54 1jbj h ASN 160 CO 0.59 -0.05 0.48 0.00 -1.65 0.00 0.00 177.43 176.81 1jbj h ALA 161 N 1.21 1.43 -0.53 -0.83 0.00 -1.92 -3.39 119.26 115.24 1jbj h ALA 161 Ca 0.86 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.58 1jbj h ALA 161 Cb 3.27 -0.31 -0.15 0.00 0.00 0.00 0.00 17.79 20.61 1jbj h ALA 161 CO -0.11 0.51 -0.38 1.17 0.00 0.00 0.00 179.25 180.45 1jbj n LYS 162 N -4.41 0.47 -4.83 0.00 4.81 0.34 -4.80 118.16 109.73 1jbj n LYS 162 Ca 0.08 -1.60 -0.28 0.00 -0.87 0.00 0.00 58.31 55.64 1jbj n LYS 162 Cb 0.04 -1.03 -0.15 0.00 0.02 0.00 0.00 35.03 33.91 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 0.23 2.81 1.06 3.14 -4.77 -0.39 -4.40 116.67 114.34 1jbj s ASP 163 Ca 0.29 -0.54 -0.14 0.00 -3.30 0.00 0.00 52.55 48.87 1jbj s ASP 163 Cb 0.09 -0.26 0.16 0.00 -1.09 0.00 0.00 42.92 41.83 1jbj s ASP 163 CO -0.11 0.22 0.67 -2.65 0.70 0.00 0.00 175.17 174.00 1jbj n PRO 164 N 1.92 -1.35 -4.15 2.11 -0.02 -1.25 -4.73 135.00 127.53 1jbj n PRO 164 Ca -0.17 -0.36 -0.10 0.00 -2.02 0.00 0.00 63.50 60.86 1jbj n PRO 164 Cb 0.52 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 1jbj n PRO 164 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jbj s ARG 165 N -4.06 0.90 0.00 -0.52 3.00 -1.26 -4.62 118.95 112.39 1jbj s ARG 165 Ca 0.63 -1.42 0.00 0.00 0.00 0.00 0.00 55.73 54.93 1jbj s ARG 165 Cb -0.21 0.22 0.00 0.00 0.00 0.00 0.00 34.95 34.96 1jbj s ARG 165 CO 0.64 -0.24 0.00 0.41 0.00 0.00 0.00 175.30 176.11 1jbj n GLY 166 N -0.08 0.33 3.70 -3.53 0.00 -1.03 -5.02 105.19 99.55 1jbj n GLY 166 Ca -0.06 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 1jbj n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jbj s THR 167 N -3.11 4.60 -0.05 2.61 -4.23 -1.25 -0.97 115.64 113.22 1jbj s THR 167 Ca 0.00 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1jbj s THR 167 Cb 0.00 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.89 1jbj s THR 167 CO 0.00 0.58 0.02 -0.31 -0.54 0.00 0.00 174.62 174.37 1jbj s TYR 168 N -0.63 0.44 0.12 3.99 1.51 0.06 -4.14 117.35 118.70 1jbj s TYR 168 Ca 0.11 -0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.19 1jbj s TYR 168 Cb -0.12 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1jbj s TYR 168 CO 0.02 -0.25 0.11 1.14 -1.11 0.00 0.00 175.55 175.46 1jbj s GLN 169 N 1.85 2.90 0.04 -0.62 -2.07 -0.77 0.12 119.66 121.11 1jbj s GLN 169 Ca 0.02 -0.78 0.05 0.00 -1.82 0.00 0.00 55.36 52.83 1jbj s GLN 169 Cb -0.12 -2.69 -0.02 0.00 -1.09 0.00 0.00 33.01 29.09 1jbj s GLN 169 CO -0.04 0.52 -0.15 0.00 -1.32 0.00 0.00 175.29 174.31 1jbj s GLN 171 N -1.21 2.69 0.20 0.00 -0.44 0.16 -0.90 119.66 120.16 1jbj s GLN 171 Ca 0.02 -0.97 0.05 0.00 -2.50 0.00 0.00 55.36 51.96 1jbj s GLN 171 Cb -0.08 -2.64 -0.03 0.00 -1.64 0.00 0.00 33.01 28.62 1jbj s GLN 171 CO 0.01 -0.33 0.24 0.20 0.50 0.00 0.00 175.29 175.92 1jbj s GLY 172 N 1.25 1.52 0.06 2.59 0.00 0.35 -1.88 107.32 111.20 1jbj s GLY 172 Ca 0.01 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.37 1jbj s GLY 172 CO -0.10 -1.24 0.68 0.00 0.00 0.00 0.00 173.10 172.44 1jbj n ALA 173 N -0.86 -0.26 -0.44 3.20 0.00 -1.25 -1.92 120.51 118.99 1jbj n ALA 173 Ca -0.08 0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.71 1jbj n ALA 173 Cb 0.56 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.29 1.96 -3.70 0.00 0.00 -1.26 -5.01 118.16 105.85 1jbj n LYS 174 Ca 0.01 -1.34 -0.12 0.00 0.00 0.00 0.00 58.31 56.85 1jbj n LYS 174 Cb 0.10 -0.91 -0.13 0.00 0.00 0.00 0.00 35.03 34.10 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jbj s GLU 175 N -0.90 0.22 -0.15 1.64 2.02 -0.81 -5.12 118.70 115.59 1jbj s GLU 175 Ca 0.03 0.68 0.02 0.00 0.02 0.00 0.00 54.97 55.72 1jbj s GLU 175 Cb 0.03 -0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.23 1jbj s GLU 175 CO 0.00 -0.21 -0.21 0.99 0.02 0.00 0.00 175.26 175.85 1jbj s THR 176 N 1.79 2.01 0.57 3.63 2.01 -1.26 0.13 115.64 124.51 1jbj s THR 176 Ca -0.05 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 1jbj s THR 176 Cb -0.11 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1jbj s THR 176 CO -0.09 0.54 0.93 -0.55 -0.69 0.00 0.00 174.62 174.75 1jbj s SER 177 N 1.01 6.17 0.70 3.53 0.15 -0.08 -4.92 113.70 120.25 1jbj s SER 177 Ca -0.03 1.17 -0.09 0.00 0.70 0.00 0.00 55.95 57.70 1jbj s SER 177 Cb -0.15 -2.31 0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1jbj s SER 177 CO -0.06 -0.79 1.05 0.20 1.20 0.00 0.00 173.24 174.84 1jbj s ASN 178 N -4.17 5.20 -0.23 5.45 -0.87 -1.26 -3.10 114.94 115.96 1jbj s ASN 178 Ca 0.52 0.85 -0.28 0.00 -1.57 0.00 0.00 52.86 52.38 1jbj s ASN 178 Cb -0.11 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.25 39.47 1jbj s ASN 178 CO 0.50 -1.42 2.01 -2.16 -2.57 0.00 0.00 177.10 173.46 1jbj s PRO 179 N -5.29 3.34 -0.02 -0.60 0.04 -1.26 -4.43 135.00 126.77 1jbj s PRO 179 Ca 0.58 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 1jbj s PRO 179 Cb -0.11 -4.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 1jbj s PRO 179 CO 0.48 -1.86 1.01 -1.17 0.04 0.00 0.00 177.00 175.51 1jbj s LEU 180 N 7.27 4.34 -0.88 -3.56 2.96 0.33 -4.53 118.68 124.60 1jbj s LEU 180 Ca 0.91 1.67 -0.19 0.00 -0.22 0.00 0.00 54.13 56.29 1jbj s LEU 180 Cb -0.30 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 42.95 1jbj s LEU 180 CO 0.35 -0.34 1.08 -1.58 -1.32 0.00 0.00 176.35 174.54 1jbj s GLN 181 N 1.30 3.52 -0.59 1.98 0.74 -1.26 -0.76 119.66 124.60 1jbj s GLN 181 Ca 0.52 -1.67 -0.20 0.00 0.05 0.00 0.00 55.36 54.06 1jbj s GLN 181 Cb -0.21 -4.80 0.09 0.00 1.10 0.00 0.00 33.01 29.19 1jbj s GLN 181 CO 0.25 -1.75 0.74 0.08 -0.55 0.00 0.00 175.29 174.06 1jbj s VAL 182 N 2.73 4.74 -0.77 1.34 1.01 -0.15 -0.60 120.40 128.70 1jbj s VAL 182 Ca 0.30 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1jbj s VAL 182 Cb -0.07 -4.50 0.20 0.00 0.00 0.00 0.00 36.38 32.01 1jbj s VAL 182 CO -0.07 -1.15 0.71 -0.47 0.00 0.00 0.00 175.10 174.12 1jbj s TYR 183 N 2.90 3.66 -0.78 5.22 6.14 0.06 -2.47 117.35 132.09 1jbj s TYR 183 Ca 0.14 -1.91 0.01 0.00 0.64 0.00 0.00 57.07 55.94 1jbj s TYR 183 Cb -0.22 -3.79 0.35 0.00 0.42 0.00 0.00 41.96 38.72 1jbj s TYR 183 CO 0.07 -0.99 1.63 0.66 0.64 0.00 0.00 175.55 177.57 1jbj n TYR 184 N 4.16 3.17 -2.43 4.97 4.01 -1.26 -2.08 117.16 127.70 1jbj n TYR 184 Ca 0.09 -2.79 -0.32 0.00 -0.16 0.00 0.00 57.90 54.71 1jbj n TYR 184 Cb 0.45 -0.86 -0.03 0.00 -0.31 0.00 0.00 39.34 38.58 1jbj n TYR 184 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1jbj s ARG 185 N -3.95 3.90 0.00 -0.72 6.06 -1.24 -4.45 118.95 118.54 1jbj s ARG 185 Ca 0.47 1.05 0.00 0.00 -2.50 0.00 0.00 55.73 54.75 1jbj s ARG 185 Cb 0.34 -2.13 0.00 0.00 0.06 0.00 0.00 34.95 33.23 1jbj s ARG 185 CO -0.25 -0.32 0.00 -0.12 -2.50 0.00 0.00 175.30 172.11