#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 5.25 -0.21 -2.24 1.47 -1.26 -5.05 116.67 114.63 1jbj s ASP 2 Ca 0.00 -1.98 -0.10 0.00 1.18 0.00 0.00 52.55 51.65 1jbj s ASP 2 Cb 0.00 -1.83 0.08 0.00 -0.34 0.00 0.00 42.92 40.83 1jbj s ASP 2 CO 0.00 -0.53 0.49 0.00 0.68 0.00 0.00 175.17 175.81 1jbj s ALA 3 N 1.15 -1.34 0.59 2.11 0.00 -1.26 -5.17 121.76 117.85 1jbj s ALA 3 Ca 0.08 1.78 -0.05 0.00 0.00 0.00 0.00 51.96 53.77 1jbj s ALA 3 Cb -0.23 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.69 1jbj s ALA 3 CO -0.04 -0.48 0.89 -1.21 0.00 0.00 0.00 175.76 174.92 1jbj s GLU 4 N 1.91 2.81 -0.44 0.00 2.02 -1.26 -4.69 118.70 119.06 1jbj s GLU 4 Ca -0.07 -0.12 -0.10 0.00 0.02 0.00 0.00 54.97 54.70 1jbj s GLU 4 Cb -0.09 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 31.86 1jbj s GLU 4 CO -0.15 -0.74 0.53 -1.71 0.02 0.00 0.00 175.26 173.21 1jbj n ASN 5 N -2.58 -7.01 -4.81 -0.19 2.85 -1.26 -5.04 115.26 97.22 1jbj n ASN 5 Ca 0.05 0.31 -0.22 0.00 -0.11 0.00 0.00 54.58 54.61 1jbj n ASN 5 Cb 0.58 -4.71 0.08 0.00 1.24 0.00 0.00 39.78 36.97 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 -2.54 2.32 0.34 -1.44 -1.09 -1.26 -5.12 121.20 112.40 1jbj s ILE 6 Ca 0.15 -0.66 0.08 0.00 -2.23 0.00 0.00 60.65 57.99 1jbj s ILE 6 Cb -0.04 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1jbj s ILE 6 CO 0.65 0.00 0.22 -1.83 -1.23 0.00 0.00 174.94 172.75 1jbj s GLU 7 N -4.96 2.54 0.57 2.79 -1.05 -1.26 -4.94 118.70 112.39 1jbj s GLU 7 Ca 0.63 -1.43 -0.15 0.00 -0.15 0.00 0.00 54.97 53.86 1jbj s GLU 7 Cb -0.07 -2.32 -0.05 0.00 -0.44 0.00 0.00 34.13 31.25 1jbj s GLU 7 CO 0.42 0.09 1.02 0.71 0.95 0.00 0.00 175.26 178.45 1jbj s TYR 8 N -2.37 3.29 -0.31 4.83 2.02 -1.26 -4.72 117.35 118.83 1jbj s TYR 8 Ca 0.39 1.45 -0.03 0.00 -0.37 0.00 0.00 57.07 58.52 1jbj s TYR 8 Cb -0.04 -2.86 0.05 0.00 -0.40 0.00 0.00 41.96 38.71 1jbj s TYR 8 CO 0.25 -0.74 0.02 0.15 -1.57 0.00 0.00 175.55 173.66 1jbj s LYS 9 N -4.31 2.48 -0.08 -0.62 1.02 -1.01 -4.83 119.74 112.38 1jbj s LYS 9 Ca 0.60 -1.24 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 1jbj s LYS 9 Cb -0.12 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1jbj s LYS 9 CO 0.38 -0.63 0.06 0.08 -0.92 0.00 0.00 175.35 174.33 1jbj s VAL 10 N 1.29 4.79 -0.23 3.17 1.01 -1.25 0.59 120.40 129.77 1jbj s VAL 10 Ca -0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1jbj s VAL 10 Cb -0.20 -3.08 0.12 0.00 0.00 0.00 0.00 36.38 33.22 1jbj s VAL 10 CO -0.00 0.56 0.45 -0.44 0.00 0.00 0.00 175.10 175.67 1jbj s SER 11 N -1.10 -0.32 -0.19 3.32 0.01 -0.38 -4.93 113.70 110.11 1jbj s SER 11 Ca 0.16 0.83 -0.26 0.00 1.31 0.00 0.00 55.95 57.99 1jbj s SER 11 Cb -0.12 1.47 -0.01 0.00 0.21 0.00 0.00 66.02 67.57 1jbj s SER 11 CO 0.05 -0.25 0.86 -0.63 0.41 0.00 0.00 173.24 173.68 1jbj s ILE 12 N 2.65 4.84 -0.25 1.44 1.01 -1.26 -1.05 121.20 128.58 1jbj s ILE 12 Ca 0.04 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1jbj s ILE 12 Cb -0.13 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.24 1jbj s ILE 12 CO -0.15 -0.02 -0.06 -0.44 0.00 0.00 0.00 174.94 174.27 1jbj s SER 13 N 1.20 4.06 -1.00 3.58 0.01 0.66 -4.86 113.70 117.35 1jbj s SER 13 Ca 0.39 -1.28 -0.14 0.00 1.31 0.00 0.00 55.95 56.22 1jbj s SER 13 Cb -0.16 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.78 1jbj s SER 13 CO 0.11 -0.23 0.70 0.61 0.41 0.00 0.00 173.24 174.84 1jbj n GLY 14 N 4.59 -1.10 2.99 3.44 0.00 -1.26 -0.61 105.19 113.24 1jbj n GLY 14 Ca -0.12 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.52 0.00 -4.25 2.61 -1.04 -1.26 -4.83 114.28 102.00 1jbj n THR 15 Ca -0.15 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.53 1jbj n THR 15 Cb 0.60 -0.60 -0.16 0.00 -1.82 0.00 0.00 70.33 68.36 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 -2.09 3.38 0.27 8.00 0.01 0.22 0.12 113.70 123.61 1jbj s SER 16 Ca 0.00 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 1jbj s SER 16 Cb 0.00 -1.52 -0.08 0.00 0.21 0.00 0.00 66.02 64.63 1jbj s SER 16 CO 0.00 0.02 0.63 -0.69 0.41 0.00 0.00 173.24 173.62 1jbj s VAL 17 N 1.16 4.81 -0.26 3.43 1.01 0.32 0.24 120.40 131.12 1jbj s VAL 17 Ca 0.01 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 1jbj s VAL 17 Cb -0.14 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.71 1jbj s VAL 17 CO -0.08 -0.11 0.11 -0.70 0.00 0.00 0.00 175.10 174.33 1jbj s GLU 18 N -2.86 0.22 0.15 2.72 2.12 -0.22 0.19 118.70 121.02 1jbj s GLU 18 Ca 0.50 -0.45 -0.11 0.00 0.36 0.00 0.00 54.97 55.27 1jbj s GLU 18 Cb -0.11 -1.45 -0.07 0.00 0.26 0.00 0.00 34.13 32.77 1jbj s GLU 18 CO 0.19 -0.91 0.49 -0.51 -0.54 0.00 0.00 175.26 173.99 1jbj s LEU 19 N 2.06 4.29 -0.19 2.70 1.43 0.29 -1.25 118.68 128.00 1jbj s LEU 19 Ca 0.07 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1jbj s LEU 19 Cb -0.16 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1jbj s LEU 19 CO -0.27 0.07 -0.11 -0.89 0.23 0.00 0.00 176.35 175.37 1jbj s THR 20 N -1.56 2.83 0.22 5.49 2.01 0.20 -0.43 115.64 124.40 1jbj s THR 20 Ca 0.39 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 1jbj s THR 20 Cb -0.13 -2.25 -0.08 0.00 0.01 0.00 0.00 72.50 70.05 1jbj s THR 20 CO 0.20 0.48 1.02 0.00 -0.69 0.00 0.00 174.62 175.63 1jbj n PRO 22 N 1.73 0.18 -4.74 0.00 -0.04 -1.26 -4.56 135.00 126.31 1jbj n PRO 22 Ca -0.00 0.08 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 1jbj n PRO 22 Cb 0.46 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.20 1.89 1.02 1.53 1.43 -1.26 -5.02 118.68 116.08 1jbj s LEU 23 Ca 0.09 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1jbj s LEU 23 Cb 0.05 -0.88 0.07 0.00 0.03 0.00 0.00 46.19 45.46 1jbj s LEU 23 CO 0.09 0.14 -0.17 -0.90 0.23 0.00 0.00 176.35 175.74 1jbj n ASP 24 N 3.16 -2.71 -4.44 2.29 5.75 -1.26 -4.56 116.55 114.78 1jbj n ASP 24 Ca -0.18 -0.20 -0.44 0.00 -0.01 0.00 0.00 54.79 53.96 1jbj n ASP 24 Cb 0.53 -0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1jbj s SER 25 N -1.69 6.45 0.56 -1.12 1.04 -1.26 -4.53 113.70 113.15 1jbj s SER 25 Ca 0.42 -1.69 -0.03 0.00 0.48 0.00 0.00 55.95 55.14 1jbj s SER 25 Cb -0.05 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.70 1jbj s SER 25 CO 0.50 -1.17 0.82 -1.81 0.98 0.00 0.00 173.24 172.56 1jbj s ASP 26 N 3.63 5.48 0.00 7.02 1.01 -1.26 -4.90 116.67 127.65 1jbj s ASP 26 Ca 0.27 0.39 0.00 0.00 0.71 0.00 0.00 52.55 53.92 1jbj s ASP 26 Cb -0.10 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 42.44 1jbj s ASP 26 CO -0.02 -1.05 0.96 -0.62 0.21 0.00 0.00 175.17 174.65 1jbj n GLU 27 N -2.42 0.90 -0.39 8.23 1.02 -1.26 -2.40 120.64 124.32 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 0.58 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jbj n ASN 28 N 0.62 0.00 -4.74 1.62 3.02 -1.26 -5.09 115.26 109.43 1jbj n ASN 28 Ca 0.00 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 1jbj n ASN 28 Cb 0.45 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.57 1jbj n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jbj s LEU 29 N 0.00 4.57 0.06 3.41 2.96 -1.01 -4.04 118.68 124.63 1jbj s LEU 29 Ca 0.00 1.87 -0.01 0.00 -0.22 0.00 0.00 54.13 55.78 1jbj s LEU 29 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1jbj s LEU 29 CO 0.00 0.03 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.49 1jbj s LYS 30 N -0.55 0.66 0.43 1.98 -0.14 -0.90 -3.40 119.74 117.81 1jbj s LYS 30 Ca 0.44 -1.25 0.06 0.00 -1.36 0.00 0.00 55.97 53.87 1jbj s LYS 30 Cb -0.25 0.14 -0.07 0.00 -1.68 0.00 0.00 37.83 35.98 1jbj s LYS 30 CO 0.31 -0.10 0.02 -1.58 -0.76 0.00 0.00 175.35 173.24 1jbj s TRP 31 N -3.88 2.42 -0.19 3.18 0.52 -1.13 -2.48 118.94 117.38 1jbj s TRP 31 Ca 0.08 -0.71 -0.07 0.00 0.02 0.00 0.00 56.10 55.42 1jbj s TRP 31 Cb 0.08 -1.76 0.08 0.00 -1.15 0.00 0.00 33.47 30.72 1jbj s TRP 31 CO -0.09 0.40 0.40 -2.00 0.02 0.00 0.00 176.95 175.69 1jbj s GLU 32 N -3.75 0.31 0.35 4.98 2.12 -0.24 -2.22 118.70 120.26 1jbj s GLU 32 Ca 0.31 0.97 -0.02 0.00 0.36 0.00 0.00 54.97 56.59 1jbj s GLU 32 Cb 0.08 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 1jbj s GLU 32 CO 0.16 -0.24 0.59 0.21 -0.54 0.00 0.00 175.26 175.43 1jbj s LYS 33 N 2.44 3.54 0.56 4.30 2.20 -0.43 -1.69 119.74 130.66 1jbj s LYS 33 Ca -0.02 -0.14 0.37 0.00 -0.36 0.00 0.00 55.97 55.81 1jbj s LYS 33 Cb -0.12 -2.61 1.52 0.00 -1.51 0.00 0.00 37.83 35.11 1jbj s LYS 33 CO -0.12 0.11 1.74 -2.95 -0.36 0.00 0.00 175.35 173.76 1jbj h ASN 34 N 0.95 0.00 0.00 1.43 -1.07 -0.90 -3.31 115.58 112.69 1jbj h ASN 34 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1jbj h ASN 34 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1jbj h ASN 34 CO 0.63 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.74 1jbj n GLY 35 N -1.76 -0.19 3.88 9.14 0.00 -1.26 -5.02 105.19 109.98 1jbj n GLY 35 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.28 3.24 0.18 1.61 -0.21 -1.25 -5.12 119.66 117.84 1jbj s GLN 36 Ca 0.00 -0.62 0.05 0.00 0.02 0.00 0.00 55.36 54.81 1jbj s GLN 36 Cb 0.00 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1jbj s GLN 36 CO 0.00 0.55 0.17 -1.83 -2.12 0.00 0.00 175.29 172.06 1jbj s GLU 37 N -2.85 2.99 -0.39 2.91 -1.05 -1.26 -1.31 118.70 117.74 1jbj s GLU 37 Ca 0.33 -0.86 -0.06 0.00 -0.15 0.00 0.00 54.97 54.23 1jbj s GLU 37 Cb -0.12 -2.68 0.08 0.00 -0.44 0.00 0.00 34.13 30.97 1jbj s GLU 37 CO 0.26 0.47 0.19 -0.51 0.95 0.00 0.00 175.26 176.62 1jbj s LEU 38 N -3.28 4.92 -0.41 1.83 1.43 -0.94 -4.91 118.68 117.32 1jbj s LEU 38 Ca 0.32 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1jbj s LEU 38 Cb -0.10 -1.88 0.38 0.00 0.03 0.00 0.00 46.19 44.62 1jbj s LEU 38 CO 0.24 -0.48 1.87 -0.81 0.23 0.00 0.00 176.35 177.40 1jbj n PRO 39 N 4.76 2.06 -2.03 1.29 -0.04 -1.26 -2.84 135.00 136.94 1jbj n PRO 39 Ca -0.08 -2.24 -0.03 0.00 -0.04 0.00 0.00 63.50 61.11 1jbj n PRO 39 Cb 0.43 -1.88 0.04 0.00 -0.04 0.00 0.00 33.50 32.05 1jbj n PRO 39 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jbj n GLN 40 N -0.40 0.83 -3.89 0.54 3.00 -1.26 -5.04 117.38 111.16 1jbj n GLN 40 Ca 0.44 -1.57 -0.30 0.00 -0.01 0.00 0.00 57.00 55.55 1jbj n GLN 40 Cb 0.92 0.10 -0.12 0.00 0.00 0.00 0.00 30.24 31.13 1jbj n GLN 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1jbj s LYS 41 N -0.51 2.28 -0.20 -1.09 -0.14 -1.25 -4.94 119.74 113.90 1jbj s LYS 41 Ca 0.12 -2.90 0.00 0.00 -1.36 0.00 0.00 55.97 51.83 1jbj s LYS 41 Cb 0.28 -3.44 0.19 0.00 -1.68 0.00 0.00 37.83 33.18 1jbj s LYS 41 CO -0.08 -1.18 1.72 0.72 -0.76 0.00 0.00 175.35 175.76 1jbj n HIS 42 N 2.72 1.08 -4.22 3.18 8.25 -1.22 -3.60 115.22 121.41 1jbj n HIS 42 Ca 0.11 -1.38 -0.28 0.00 -0.26 0.00 0.00 57.72 55.91 1jbj n HIS 42 Cb 0.34 -0.68 -0.17 0.00 1.12 0.00 0.00 29.99 30.60 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jbj s ASP 43 N 0.49 2.39 0.42 0.41 2.15 -1.26 -4.47 116.67 116.80 1jbj s ASP 43 Ca 0.21 -0.40 0.10 0.00 0.43 0.00 0.00 52.55 52.89 1jbj s ASP 43 Cb 0.17 -1.04 0.89 0.00 -0.30 0.00 0.00 42.92 42.65 1jbj s ASP 43 CO 0.01 -0.03 1.99 0.07 -0.17 0.00 0.00 175.17 177.04 1jbj h LYS 44 N 7.73 0.24 -4.08 4.34 5.09 -1.80 -3.36 116.57 124.72 1jbj h LYS 44 Ca -0.33 -0.04 -0.76 0.00 0.09 0.00 0.00 60.65 59.61 1jbj h LYS 44 Cb 1.15 -0.04 -0.24 0.00 0.10 0.00 0.00 32.23 33.20 1jbj h LYS 44 CO 0.48 0.30 -0.21 -3.38 -2.09 0.00 0.00 179.45 174.55 1jbj s HIS 45 N -4.92 3.27 0.02 0.07 -3.43 -1.26 0.11 115.29 109.16 1jbj s HIS 45 Ca -0.06 -1.33 -0.27 0.00 -0.80 0.00 0.00 55.06 52.60 1jbj s HIS 45 Cb 0.16 -3.80 -0.04 0.00 -1.43 0.00 0.00 32.58 27.47 1jbj s HIS 45 CO 0.72 -1.02 0.85 -1.17 -2.00 0.00 0.00 174.74 172.12 1jbj s LEU 46 N 1.54 4.40 -0.06 5.38 2.96 0.43 -4.83 118.68 128.50 1jbj s LEU 46 Ca 0.04 1.52 0.02 0.00 -0.22 0.00 0.00 54.13 55.48 1jbj s LEU 46 Cb -0.29 -3.37 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1jbj s LEU 46 CO 0.02 -0.11 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.17 1jbj s VAL 47 N 0.47 3.61 -0.49 1.68 1.01 -1.26 0.10 120.40 125.53 1jbj s VAL 47 Ca 0.44 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1jbj s VAL 47 Cb -0.21 -2.48 0.13 0.00 0.00 0.00 0.00 36.38 33.82 1jbj s VAL 47 CO 0.25 0.57 0.24 -0.76 0.00 0.00 0.00 175.10 175.40 1jbj s LEU 48 N -0.88 4.69 -0.17 3.92 1.43 0.50 -4.92 118.68 123.25 1jbj s LEU 48 Ca 0.13 -2.69 -0.29 0.00 -1.03 0.00 0.00 54.13 50.25 1jbj s LEU 48 Cb -0.11 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1jbj s LEU 48 CO 0.02 -0.32 1.08 -1.10 0.23 0.00 0.00 176.35 176.26 1jbj s GLN 49 N 0.17 4.31 -0.35 1.70 -0.21 -1.26 0.12 119.66 124.14 1jbj s GLN 49 Ca 0.15 1.45 -0.01 0.00 0.02 0.00 0.00 55.36 56.96 1jbj s GLN 49 Cb -0.23 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.16 1jbj s GLN 49 CO -0.03 -0.54 0.35 -3.47 -2.12 0.00 0.00 175.29 169.48 1jbj n ASP 50 N 5.89 -5.00 -4.70 5.90 -0.08 0.32 -4.92 116.55 113.98 1jbj n ASP 50 Ca 0.11 0.02 -0.43 0.00 -1.51 0.00 0.00 54.79 52.99 1jbj n ASP 50 Cb 0.47 -3.22 -0.03 0.00 2.34 0.00 0.00 41.12 40.67 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 -1.22 2.63 -3.94 -0.67 7.35 -1.13 -4.97 117.46 115.52 1jbj n PHE 51 Ca 0.01 -0.08 -0.31 0.00 -0.76 0.00 0.00 57.45 56.31 1jbj n PHE 51 Cb 0.45 -2.71 -0.14 0.00 0.35 0.00 0.00 39.48 37.44 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 2.29 4.65 0.55 -2.13 0.01 -1.26 -3.90 113.70 113.91 1jbj s SER 52 Ca 0.80 -2.60 0.26 0.00 1.31 0.00 0.00 55.95 55.73 1jbj s SER 52 Cb -0.50 -1.67 1.45 0.00 0.21 0.00 0.00 66.02 65.51 1jbj s SER 52 CO 0.36 -0.33 2.01 -0.08 0.41 0.00 0.00 173.24 175.62 1jbj h GLU 53 N 7.09 0.00 -0.33 12.44 4.22 -1.94 0.13 114.58 136.19 1jbj h GLU 53 Ca -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 1jbj h GLU 53 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1jbj h GLU 53 CO 0.63 0.00 0.14 0.28 -2.18 0.00 0.00 179.01 177.87 1jbj h VAL 54 N 0.00 1.13 -0.02 0.32 2.07 -1.92 -1.30 116.25 116.53 1jbj h VAL 54 Ca 0.20 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1jbj h VAL 54 Cb 0.89 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1jbj h VAL 54 CO -0.00 0.15 0.07 -0.33 0.02 0.00 0.00 177.57 177.48 1jbj h GLU 55 N 0.46 0.00 -3.63 1.57 5.08 -1.17 -3.46 114.58 113.43 1jbj h GLU 55 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1jbj h GLU 55 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1jbj h GLU 55 CO -0.01 0.00 -0.00 -3.47 -1.00 0.00 0.00 179.01 174.52 1jbj n ASP 56 N -3.25 -3.56 -1.76 1.42 2.03 -0.49 -5.06 116.55 105.88 1jbj n ASP 56 Ca -0.02 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1jbj n ASP 56 Cb 0.15 -2.16 0.00 0.00 -0.72 0.00 0.00 41.12 38.39 1jbj n ASP 56 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1jbj n SER 57 N -1.19 0.00 0.00 1.67 2.88 -1.26 -4.83 113.62 110.89 1jbj n SER 57 Ca 0.00 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 1jbj n SER 57 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1jbj n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbj n GLY 58 N 5.00 1.47 3.63 0.46 0.00 0.20 -4.73 105.19 111.22 1jbj n GLY 58 Ca 0.00 -0.55 -0.46 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 2.22 -4.06 1.61 4.01 -1.23 -0.44 117.16 119.27 1jbj n TYR 59 Ca 0.00 -0.12 -0.12 0.00 -0.16 0.00 0.00 57.90 57.50 1jbj n TYR 59 Cb 0.00 -2.71 -0.11 0.00 -0.31 0.00 0.00 39.34 36.21 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 5.55 0.64 -0.03 -0.72 2.02 -0.40 -0.18 117.35 124.23 1jbj s TYR 60 Ca 0.95 -0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 56.93 1jbj s TYR 60 Cb -0.55 -0.39 0.03 0.00 -0.40 0.00 0.00 41.96 40.65 1jbj s TYR 60 CO 0.45 -0.11 0.33 0.54 -1.57 0.00 0.00 175.55 175.18 1jbj s VAL 61 N -1.73 0.05 -0.05 0.71 0.11 -0.68 -2.44 120.40 116.37 1jbj s VAL 61 Ca -0.08 -0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1jbj s VAL 61 Cb -0.08 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1jbj s VAL 61 CO -0.01 -0.22 0.11 0.00 -3.33 0.00 0.00 175.10 171.65 1jbj s TYR 63 N 0.97 -0.15 0.06 0.00 1.13 -1.04 -4.27 117.35 114.05 1jbj s TYR 63 Ca -0.08 -0.25 0.06 0.00 -1.41 0.00 0.00 57.07 55.40 1jbj s TYR 63 Cb -0.10 0.68 -0.03 0.00 -1.10 0.00 0.00 41.96 41.41 1jbj s TYR 63 CO -0.04 -1.05 -0.16 0.95 -2.51 0.00 0.00 175.55 172.73 1jbj s THR 64 N -3.54 1.31 0.18 -3.49 -4.23 -0.97 -2.12 115.64 102.79 1jbj s THR 64 Ca 0.12 -1.18 -0.16 0.00 -1.18 0.00 0.00 61.69 59.29 1jbj s THR 64 Cb -0.04 -1.19 0.14 0.00 1.34 0.00 0.00 72.50 72.76 1jbj s THR 64 CO 0.05 -0.01 1.65 -0.65 -0.54 0.00 0.00 174.62 175.13 1jbj h PRO 65 N 4.67 -0.00 0.00 3.99 0.11 -2.00 0.95 132.00 139.72 1jbj h PRO 65 Ca -0.41 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1jbj h PRO 65 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1jbj h PRO 65 CO 0.43 -0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 177.98 1jbj h ALA 66 N 1.48 1.22 -3.42 -0.75 0.00 -1.97 -3.36 119.26 112.46 1jbj h ALA 66 Ca 0.23 -0.22 -0.64 0.00 0.00 0.00 0.00 54.91 54.28 1jbj h ALA 66 Cb 0.35 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 17.70 1jbj h ALA 66 CO -0.50 0.30 -0.64 0.45 0.00 0.00 0.00 179.25 178.86 1jbj s SER 67 N -6.40 4.37 -0.85 0.00 0.15 0.32 -5.00 113.70 106.29 1jbj s SER 67 Ca -0.02 -2.89 -0.12 0.00 0.70 0.00 0.00 55.95 53.63 1jbj s SER 67 Cb 0.13 -1.63 -0.09 0.00 -1.71 0.00 0.00 66.02 62.71 1jbj s SER 67 CO 0.64 -0.25 2.02 -3.20 1.20 0.00 0.00 173.24 173.65 1jbj n ASN 68 N 3.27 3.93 -4.01 5.45 2.85 -1.16 -2.29 115.26 123.30 1jbj n ASN 68 Ca 0.05 -2.45 -0.31 0.00 -0.11 0.00 0.00 54.58 51.76 1jbj n ASN 68 Cb 0.33 -1.10 -0.16 0.00 1.24 0.00 0.00 39.78 40.10 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 4.02 2.15 -0.03 1.20 2.20 -1.26 -5.04 119.74 122.98 1jbj s LYS 69 Ca 0.45 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 1jbj s LYS 69 Cb 0.12 -2.46 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 1jbj s LYS 69 CO 0.02 -0.41 -0.07 0.54 -0.36 0.00 0.00 175.35 175.07 1jbj s ASN 70 N 1.36 1.04 -0.05 1.43 2.20 -1.26 -3.97 114.94 115.70 1jbj s ASN 70 Ca -0.01 -0.16 0.06 0.00 -0.94 0.00 0.00 52.86 51.81 1jbj s ASN 70 Cb -0.16 -0.32 -0.02 0.00 -2.00 0.00 0.00 41.25 38.75 1jbj s ASN 70 CO -0.08 0.03 -0.21 -0.89 -2.94 0.00 0.00 177.10 173.01 1jbj s THR 71 N 0.33 2.47 -0.45 0.54 2.01 -1.26 -5.01 115.64 114.27 1jbj s THR 71 Ca -0.05 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 60.80 1jbj s THR 71 Cb -0.09 -1.92 0.03 0.00 0.01 0.00 0.00 72.50 70.53 1jbj s THR 71 CO 0.00 0.58 0.71 -0.31 -0.69 0.00 0.00 174.62 174.91 1jbj s TYR 72 N -0.49 3.03 0.19 4.92 1.51 -1.26 -4.33 117.35 120.91 1jbj s TYR 72 Ca 0.06 0.02 0.09 0.00 -1.01 0.00 0.00 57.07 56.23 1jbj s TYR 72 Cb -0.11 -3.50 -0.04 0.00 -0.11 0.00 0.00 41.96 38.19 1jbj s TYR 72 CO 0.01 -0.94 -0.12 -0.48 -1.11 0.00 0.00 175.55 172.91 1jbj s LEU 73 N 3.04 2.87 -0.32 -1.29 0.05 -1.02 -4.41 118.68 117.59 1jbj s LEU 73 Ca 0.25 -0.65 0.02 0.00 0.05 0.00 0.00 54.13 53.81 1jbj s LEU 73 Cb -0.13 -1.55 0.09 0.00 -2.05 0.00 0.00 46.19 42.55 1jbj s LEU 73 CO 0.20 0.10 0.05 -0.47 -0.55 0.00 0.00 176.35 175.68 1jbj s TYR 74 N -1.75 2.97 -0.29 3.48 6.14 0.18 -1.27 117.35 126.80 1jbj s TYR 74 Ca 0.24 -2.45 -0.01 0.00 0.64 0.00 0.00 57.07 55.49 1jbj s TYR 74 Cb -0.08 -2.36 0.05 0.00 0.42 0.00 0.00 41.96 39.98 1jbj s TYR 74 CO 0.14 -0.90 -0.01 -1.17 0.64 0.00 0.00 175.55 174.24 1jbj s LEU 75 N 1.18 3.79 -0.19 6.97 1.98 0.42 -1.02 118.68 131.81 1jbj s LEU 75 Ca 0.08 -1.23 -0.05 0.00 -2.89 0.00 0.00 54.13 50.04 1jbj s LEU 75 Cb -0.18 -1.70 0.07 0.00 0.66 0.00 0.00 46.19 45.03 1jbj s LEU 75 CO -0.13 -0.24 0.10 -0.75 -1.89 0.00 0.00 176.35 173.44 1jbj s LYS 76 N 1.25 0.09 0.30 1.98 2.20 -1.00 0.60 119.74 125.16 1jbj s LYS 76 Ca -0.05 -0.16 -0.15 0.00 -0.36 0.00 0.00 55.97 55.26 1jbj s LYS 76 Cb -0.19 -1.73 0.02 0.00 -1.51 0.00 0.00 37.83 34.42 1jbj s LYS 76 CO -0.02 -0.73 0.63 0.00 -0.36 0.00 0.00 175.35 174.88 1jbj s ALA 77 N 2.13 -0.56 -0.02 3.13 0.00 -1.26 -4.04 121.76 121.15 1jbj s ALA 77 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1jbj s ALA 77 Cb -0.16 0.91 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1jbj s ALA 77 CO -0.13 -0.94 -0.06 0.50 0.00 0.00 0.00 175.76 175.12 1jbj s ARG 78 N -3.45 0.65 0.12 0.00 3.52 -1.26 -3.80 118.95 114.72 1jbj s ARG 78 Ca 0.18 -0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.63 1jbj s ARG 78 Cb -0.03 -0.64 -0.04 0.00 -1.56 0.00 0.00 34.95 32.68 1jbj s ARG 78 CO 0.10 0.09 -0.00 0.14 -0.81 0.00 0.00 175.30 174.82 1jbj s VAL 79 N 0.14 3.90 0.28 7.11 -7.23 -1.25 -5.01 120.40 118.33 1jbj s VAL 79 Ca -0.02 -1.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.73 1jbj s VAL 79 Cb -0.06 -2.88 -0.10 0.00 0.56 0.00 0.00 36.38 33.90 1jbj s VAL 79 CO -0.00 0.05 1.20 -0.83 -0.31 0.00 0.00 175.10 175.21 1jbj s GLY 80 N -2.49 2.93 -0.79 2.32 0.00 -1.26 -4.81 107.32 103.22 1jbj s GLY 80 Ca 0.26 1.05 -0.06 0.00 0.00 0.00 0.00 44.72 45.97 1jbj s GLY 80 CO 0.18 1.74 2.28 1.44 0.00 0.00 0.00 173.10 178.74 1jbj n SER 81 N 1.37 4.99 -3.79 1.64 7.64 -1.26 -4.59 113.62 119.62 1jbj n SER 81 Ca 0.01 -2.30 -0.29 0.00 1.01 0.00 0.00 58.87 57.29 1jbj n SER 81 Cb 0.44 -1.10 0.01 0.00 -1.01 0.00 0.00 64.21 62.54 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbj n ALA 82 N 3.79 -2.43 -0.03 -0.43 0.00 -1.26 -4.48 120.51 115.68 1jbj n ALA 82 Ca 0.44 -0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 1jbj n ALA 82 Cb 0.24 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.86 0.29 -3.61 0.00 -0.08 -1.26 -4.35 116.55 105.68 1jbj n ASP 83 Ca -0.19 -1.17 -0.28 0.00 -1.51 0.00 0.00 54.79 51.64 1jbj n ASP 83 Cb 0.52 -0.06 -0.16 0.00 2.34 0.00 0.00 41.12 43.76 1jbj n ASP 83 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jbj s ASP 84 N 2.18 3.12 0.55 1.67 2.15 -1.26 -5.11 116.67 119.97 1jbj s ASP 84 Ca 0.01 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 51.94 1jbj s ASP 84 Cb 0.00 -0.40 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 1jbj s ASP 84 CO 0.00 -0.39 0.00 0.00 -0.17 0.00 0.00 175.17 174.61 1jbj n ALA 85 N 5.19 -2.14 -2.75 3.66 0.00 -1.26 -5.00 120.51 118.21 1jbj n ALA 85 Ca -0.06 0.26 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 1jbj n ALA 85 Cb 0.45 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1jbj n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 86 N -3.19 -3.29 -2.14 0.00 4.81 -1.26 -5.01 118.16 108.07 1jbj n LYS 86 Ca 0.01 2.67 -0.02 0.00 -0.87 0.00 0.00 58.31 60.10 1jbj n LYS 86 Cb 0.38 -5.36 0.05 0.00 0.02 0.00 0.00 35.03 30.12 1jbj n LYS 86 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1jbj n LYS 87 N 0.57 0.93 -0.79 1.64 2.85 -1.26 -5.06 118.16 117.04 1jbj n LYS 87 Ca 0.02 -1.82 -0.29 0.00 -1.05 0.00 0.00 58.31 55.17 1jbj n LYS 87 Cb 0.08 -0.10 0.21 0.00 -0.65 0.00 0.00 35.03 34.58 1jbj n LYS 87 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1jbj s ASP 88 N -1.86 1.82 1.19 -5.58 1.11 -1.26 -5.02 116.67 107.07 1jbj s ASP 88 Ca 0.15 1.49 -0.13 0.00 0.18 0.00 0.00 52.55 54.24 1jbj s ASP 88 Cb 0.30 -2.20 0.20 0.00 1.07 0.00 0.00 42.92 42.29 1jbj s ASP 88 CO -0.08 -3.68 0.61 0.00 1.18 0.00 0.00 175.17 173.20 1jbj n ALA 89 N -4.57 -2.39 -2.94 5.23 0.00 -1.26 -5.07 120.51 109.52 1jbj n ALA 89 Ca 0.05 -0.96 -0.23 0.00 0.00 0.00 0.00 53.44 52.30 1jbj n ALA 89 Cb 0.55 -0.07 0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.30 0.97 -3.60 0.00 0.00 -1.26 -5.14 120.51 107.17 1jbj n ALA 90 Ca -0.12 -1.97 -0.03 0.00 0.00 0.00 0.00 53.44 51.32 1jbj n ALA 90 Cb 0.35 0.49 -0.01 0.00 0.00 0.00 0.00 19.45 20.28 1jbj n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jbj s LYS 91 N -4.61 0.50 -1.57 0.00 2.20 -1.26 -4.98 119.74 110.03 1jbj s LYS 91 Ca 0.59 -0.23 -0.05 0.00 -0.36 0.00 0.00 55.97 55.93 1jbj s LYS 91 Cb -0.04 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.49 1jbj s LYS 91 CO 0.38 -0.22 0.56 1.17 -0.36 0.00 0.00 175.35 176.87 1jbj n LYS 92 N -0.27 -4.60 -3.02 4.03 4.81 -1.26 -4.92 118.16 112.94 1jbj n LYS 92 Ca -0.04 0.90 -0.44 0.00 -0.87 0.00 0.00 58.31 57.85 1jbj n LYS 92 Cb 0.60 -5.75 -0.02 0.00 0.02 0.00 0.00 35.03 29.89 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 -2.65 6.74 0.50 3.14 2.15 -1.26 -5.02 116.67 120.27 1jbj s ASP 93 Ca 0.28 -2.34 -0.02 0.00 0.43 0.00 0.00 52.55 50.91 1jbj s ASP 93 Cb -0.13 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1jbj s ASP 93 CO 0.35 -0.91 0.75 -0.62 -0.17 0.00 0.00 175.17 174.58 1jbj s ASP 94 N 3.18 5.71 0.07 -0.34 2.15 -1.26 -5.01 116.67 121.18 1jbj s ASP 94 Ca 0.31 0.41 -0.31 0.00 0.43 0.00 0.00 52.55 53.40 1jbj s ASP 94 Cb -0.06 -1.55 -0.09 0.00 -0.30 0.00 0.00 42.92 40.93 1jbj s ASP 94 CO -0.08 -0.85 1.80 0.00 -0.17 0.00 0.00 175.17 175.87 1jbj s ALA 95 N -2.71 3.69 0.31 3.66 0.00 -1.26 -4.98 121.76 120.46 1jbj s ALA 95 Ca 0.51 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.82 1jbj s ALA 95 Cb -0.10 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1jbj s ALA 95 CO 0.40 -1.30 0.18 0.21 0.00 0.00 0.00 175.76 175.26 1jbj s LYS 96 N 3.25 1.63 0.58 0.00 2.20 -1.26 -5.18 119.74 120.96 1jbj s LYS 96 Ca 0.80 -1.94 0.10 0.00 -0.36 0.00 0.00 55.97 54.57 1jbj s LYS 96 Cb -0.43 -0.01 0.09 0.00 -1.51 0.00 0.00 37.83 35.98 1jbj s LYS 96 CO 0.36 -0.50 0.79 0.21 -0.36 0.00 0.00 175.35 175.85 1jbj s LYS 97 N -3.75 2.29 -0.06 4.03 2.47 -1.26 -5.14 119.74 118.33 1jbj s LYS 97 Ca 0.36 -1.66 -0.04 0.00 -1.56 0.00 0.00 55.97 53.07 1jbj s LYS 97 Cb 0.04 -2.63 0.03 0.00 -1.46 0.00 0.00 37.83 33.81 1jbj s LYS 97 CO 0.19 -0.87 0.14 0.16 0.16 0.00 0.00 175.35 175.13 1jbj s ASP 98 N -4.66 -0.12 1.10 1.43 -4.77 -1.26 -5.16 116.67 103.22 1jbj s ASP 98 Ca 0.61 0.28 -0.14 0.00 -3.30 0.00 0.00 52.55 50.00 1jbj s ASP 98 Cb -0.06 0.22 0.24 0.00 -1.09 0.00 0.00 42.92 42.24 1jbj s ASP 98 CO 0.39 -0.10 1.07 -0.62 0.70 0.00 0.00 175.17 176.61 1jbj s ASP 99 N 0.61 1.74 -0.37 2.11 2.15 -1.26 -5.01 116.67 116.65 1jbj s ASP 99 Ca -0.04 1.16 0.12 0.00 0.43 0.00 0.00 52.55 54.22 1jbj s ASP 99 Cb -0.06 -1.81 0.45 0.00 -0.30 0.00 0.00 42.92 41.20 1jbj s ASP 99 CO -0.03 -3.68 1.04 0.00 -0.17 0.00 0.00 175.17 172.33 1jbj n ALA 100 N -4.54 4.16 0.24 3.66 0.00 -1.26 -4.77 120.51 118.01 1jbj n ALA 100 Ca 0.05 -3.66 0.06 0.00 0.00 0.00 0.00 53.44 49.90 1jbj n ALA 100 Cb 0.57 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.30 1.61 0.30 0.00 4.81 -1.26 -4.40 118.16 118.91 1jbj n LYS 101 Ca 0.23 -0.06 0.20 0.00 -0.87 0.00 0.00 58.31 57.81 1jbj n LYS 101 Cb 0.76 -1.18 1.05 0.00 0.02 0.00 0.00 35.03 35.68 1jbj n LYS 101 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1jbj h LYS 102 N 0.00 0.00 -1.02 1.64 3.64 -1.94 -1.17 116.57 117.72 1jbj h LYS 102 Ca 0.00 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.95 1jbj h LYS 102 Cb 0.43 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.00 1jbj h LYS 102 CO 0.00 0.00 0.55 -3.47 -2.27 0.00 0.00 179.45 174.26 1jbj n ASP 103 N -2.87 3.91 -2.41 4.20 2.03 -1.26 -4.86 116.55 115.29 1jbj n ASP 103 Ca -0.03 -3.33 -0.18 0.00 0.52 0.00 0.00 54.79 51.78 1jbj n ASP 103 Cb 0.08 -0.80 -0.01 0.00 -0.72 0.00 0.00 41.12 39.67 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jbj n GLY 104 N -0.81 -0.49 3.72 0.27 0.00 -0.44 -4.90 105.19 102.53 1jbj n GLY 104 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.05 6.61 -0.12 1.61 0.01 -1.22 -4.91 113.70 113.63 1jbj s SER 105 Ca 0.00 2.61 -0.29 0.00 1.31 0.00 0.00 55.95 59.58 1jbj s SER 105 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1jbj s SER 105 CO 0.00 -0.80 1.84 -1.10 0.41 0.00 0.00 173.24 173.58 1jbj s GLN 106 N 0.94 3.83 -0.40 12.44 1.11 -1.26 -4.83 119.66 131.48 1jbj s GLN 106 Ca 0.68 2.08 0.05 0.00 0.01 0.00 0.00 55.36 58.18 1jbj s GLN 106 Cb -0.43 -4.13 0.31 0.00 -1.01 0.00 0.00 33.01 27.75 1jbj s GLN 106 CO 0.33 -1.28 1.20 -2.37 0.01 0.00 0.00 175.29 173.18 1jbj n THR 107 N 6.27 0.00 -3.15 -0.19 5.66 -1.26 -5.11 114.28 116.51 1jbj n THR 107 Ca 0.21 -1.13 0.06 0.00 -3.05 0.00 0.00 64.05 60.14 1jbj n THR 107 Cb 0.44 1.32 -0.02 0.00 -1.55 0.00 0.00 70.33 70.51 1jbj n THR 107 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1jbj s ASN 108 N -0.86 -0.08 -0.10 1.09 2.47 -1.26 -5.14 114.94 111.06 1jbj s ASN 108 Ca 0.23 0.05 -0.27 0.00 0.42 0.00 0.00 52.86 53.28 1jbj s ASN 108 Cb 0.28 1.07 -0.02 0.00 -1.45 0.00 0.00 41.25 41.12 1jbj s ASN 108 CO -0.13 -0.01 0.90 -0.54 -3.72 0.00 0.00 177.10 173.60 1jbj s LYS 109 N 2.99 4.41 -0.06 0.43 -0.14 -1.26 -5.04 119.74 121.08 1jbj s LYS 109 Ca -0.06 1.20 -0.14 0.00 -1.36 0.00 0.00 55.97 55.61 1jbj s LYS 109 Cb -0.08 -3.52 0.03 0.00 -1.68 0.00 0.00 37.83 32.58 1jbj s LYS 109 CO -0.08 -0.21 0.34 0.00 -0.76 0.00 0.00 175.35 174.63 1jbj s ALA 110 N 1.68 -0.84 0.00 5.17 0.00 -1.26 -5.04 121.76 121.46 1jbj s ALA 110 Ca 0.44 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1jbj s ALA 110 Cb -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1jbj s ALA 110 CO 0.18 -0.23 0.00 1.17 0.00 0.00 0.00 175.76 176.88 1jbj n LYS 111 N 1.84 0.00 -2.60 0.00 0.00 -1.26 -5.15 118.16 111.00 1jbj n LYS 111 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 57.90 1jbj n LYS 111 Cb 0.57 -0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.68 1jbj n LYS 111 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1jbj s ASN 112 N -2.01 4.67 0.54 3.14 -0.87 -1.26 -4.55 114.94 114.60 1jbj s ASN 112 Ca 0.00 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.05 1jbj s ASN 112 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.92 1jbj s ASN 112 CO 0.00 -1.62 0.00 -0.11 -2.57 0.00 0.00 177.10 172.80 1jbj n LEU 113 N -2.67 -1.60 -4.77 0.60 7.94 -1.26 -4.84 117.00 110.40 1jbj n LEU 113 Ca 0.13 2.64 -0.39 0.00 -1.11 0.00 0.00 56.01 57.27 1jbj n LEU 113 Cb 0.60 -2.80 -0.03 0.00 0.53 0.00 0.00 43.42 41.73 1jbj n LEU 113 CO 0.44 -0.65 0.86 -0.69 -1.11 0.00 0.00 177.39 176.23 1jbj s VAL 114 N -5.13 3.16 -0.11 1.96 1.01 -1.26 -4.95 120.40 115.08 1jbj s VAL 114 Ca 0.00 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.02 1jbj s VAL 114 Cb 0.00 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.78 1jbj s VAL 114 CO 0.00 0.19 0.07 -1.58 0.00 0.00 0.00 175.10 173.77 1jbj s GLN 115 N -1.93 0.09 -0.05 2.72 0.74 -1.16 -5.04 119.66 115.02 1jbj s GLN 115 Ca 0.51 0.11 -0.16 0.00 0.05 0.00 0.00 55.36 55.88 1jbj s GLN 115 Cb -0.33 -1.21 -0.05 0.00 1.10 0.00 0.00 33.01 32.52 1jbj s GLN 115 CO 0.42 -0.49 0.43 0.14 -0.55 0.00 0.00 175.29 175.24 1jbj s VAL 116 N 2.12 5.10 0.45 1.34 -7.23 -1.26 -2.37 120.40 118.54 1jbj s VAL 116 Ca 0.03 0.86 -0.12 0.00 -1.81 0.00 0.00 61.98 60.94 1jbj s VAL 116 Cb -0.14 -3.75 -0.07 0.00 0.56 0.00 0.00 36.38 32.99 1jbj s VAL 116 CO -0.06 0.48 0.85 -0.62 -0.31 0.00 0.00 175.10 175.44 1jbj s ASP 117 N -0.36 6.54 0.00 4.85 -1.08 0.30 -4.85 116.67 122.07 1jbj s ASP 117 Ca 0.24 1.28 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 1jbj s ASP 117 Cb -0.16 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1jbj s ASP 117 CO 0.12 -0.48 0.31 0.61 0.52 0.00 0.00 175.17 176.25 1jbj n GLY 118 N -1.47 -1.42 2.60 2.66 0.00 -1.26 -2.15 105.19 104.15 1jbj n GLY 118 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1jbj n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jbj n SER 119 N 0.00 -2.16 -1.60 1.61 2.88 -1.26 -4.68 113.62 108.41 1jbj n SER 119 Ca 0.00 -2.72 0.09 0.00 -1.33 0.00 0.00 58.87 54.91 1jbj n SER 119 Cb 0.50 0.78 0.36 0.00 -0.75 0.00 0.00 64.21 65.11 1jbj n SER 119 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jbj n ARG 120 N 2.78 3.98 0.00 -1.46 1.74 -1.26 -4.93 116.66 117.50 1jbj n ARG 120 Ca 0.22 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.36 1jbj n ARG 120 Cb 0.53 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 0.89 3.07 0.07 -0.13 0.00 -1.26 -4.72 105.19 103.12 1jbj n GLY 121 Ca 0.26 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.44 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 1.12 0.40 0.00 1.61 8.00 -1.26 -4.98 116.55 121.44 1jbj n ASP 122 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1jbj n ASP 122 Cb 0.00 1.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 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 1.74 3.82 0.44 0.00 -1.26 -5.02 105.19 106.27 1jbj n GLY 123 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1jbj n GLY 123 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 124 N -2.00 6.88 -0.04 1.61 0.15 -1.26 -1.29 113.70 117.75 1jbj s SER 124 Ca 0.00 1.05 -0.19 0.00 0.70 0.00 0.00 55.95 57.50 1jbj s SER 124 Cb 0.00 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.98 1jbj s SER 124 CO 0.00 0.29 0.55 -0.69 1.20 0.00 0.00 173.24 174.59 1jbj s VAL 125 N -1.00 5.01 -0.26 4.45 1.01 0.21 -4.11 120.40 125.73 1jbj s VAL 125 Ca 0.25 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.38 1jbj s VAL 125 Cb -0.17 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.39 1jbj s VAL 125 CO 0.15 0.39 -0.01 -0.76 0.00 0.00 0.00 175.10 174.87 1jbj s LEU 126 N 0.05 2.69 -0.40 3.92 1.02 -0.91 -2.95 118.68 122.10 1jbj s LEU 126 Ca 0.29 -1.34 -0.26 0.00 0.02 0.00 0.00 54.13 52.84 1jbj s LEU 126 Cb -0.17 -1.14 0.02 0.00 0.02 0.00 0.00 46.19 44.91 1jbj s LEU 126 CO 0.15 -0.29 0.93 -0.22 0.02 0.00 0.00 176.35 176.94 1jbj s LEU 127 N 1.40 3.99 -0.09 1.79 0.20 -0.53 0.11 118.68 125.55 1jbj s LEU 127 Ca -0.01 0.43 -0.04 0.00 0.69 0.00 0.00 54.13 55.20 1jbj s LEU 127 Cb -0.19 -3.24 -0.04 0.00 -0.43 0.00 0.00 46.19 42.29 1jbj s LEU 127 CO -0.09 -0.93 0.09 0.42 -0.29 0.00 0.00 176.35 175.55 1jbj s THR 128 N 3.58 5.02 0.00 3.68 -4.23 -1.00 0.18 115.64 122.87 1jbj s THR 128 Ca 0.38 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1jbj s THR 128 Cb -0.11 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1jbj s THR 128 CO 0.21 0.58 0.00 0.00 -0.54 0.00 0.00 174.62 174.87 1jbj n GLY 130 N 0.00 2.56 2.58 0.00 0.00 -1.26 -4.64 105.19 104.43 1jbj n GLY 130 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 1jbj n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jbj n LEU 131 N 0.00 -5.32 -1.67 0.99 7.99 -1.26 -3.26 117.00 114.46 1jbj n LEU 131 Ca 0.00 -0.05 -0.18 0.00 -0.01 0.00 0.00 56.01 55.77 1jbj n LEU 131 Cb 0.00 -2.60 -0.06 0.00 -0.11 0.00 0.00 43.42 40.64 1jbj n LEU 131 CO 0.00 -0.77 -0.18 0.35 -1.51 0.00 0.00 177.39 175.28 1jbj n THR 132 N -1.55 -0.15 -3.31 -5.08 -2.24 -1.26 -4.94 114.28 95.75 1jbj n THR 132 Ca -0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1jbj n THR 132 Cb 0.50 -1.83 -0.06 0.00 -2.10 0.00 0.00 70.33 66.85 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 -2.41 6.92 0.00 3.42 1.01 -1.20 -4.95 116.67 119.46 1jbj s ASP 133 Ca 0.00 1.16 0.28 0.00 0.71 0.00 0.00 52.55 54.71 1jbj s ASP 133 Cb 0.00 -2.32 1.38 0.00 1.01 0.00 0.00 42.92 42.99 1jbj s ASP 133 CO 0.00 0.16 1.97 0.29 0.21 0.00 0.00 175.17 177.80 1jbj n LYS 134 N 1.12 0.30 -4.28 8.23 4.76 -1.26 -4.70 118.16 122.34 1jbj n LYS 134 Ca -0.07 0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.19 1jbj n LYS 134 Cb 0.51 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 32.04 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1jbj s THR 135 N -2.68 0.65 -0.08 -0.18 2.01 -1.26 -5.03 115.64 109.07 1jbj s THR 135 Ca 0.24 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 1jbj s THR 135 Cb 0.19 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 72.10 1jbj s THR 135 CO 0.46 0.23 0.21 -0.63 -0.69 0.00 0.00 174.62 174.20 1jbj s ILE 136 N 0.56 -0.00 -0.04 1.82 1.01 -1.26 -1.54 121.20 121.75 1jbj s ILE 136 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 1jbj s ILE 136 Cb -0.12 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 42.08 1jbj s ILE 136 CO 0.01 0.01 0.05 -0.54 0.00 0.00 0.00 174.94 174.46 1jbj s LYS 137 N 0.21 0.03 -0.01 2.79 3.01 -0.80 -4.94 119.74 120.03 1jbj s LYS 137 Ca -0.01 0.31 -0.01 0.00 -1.01 0.00 0.00 55.97 55.25 1jbj s LYS 137 Cb -0.02 -0.53 -0.04 0.00 -1.01 0.00 0.00 37.83 36.23 1jbj s LYS 137 CO -0.00 -0.30 0.12 -0.46 0.51 0.00 0.00 175.35 175.22 1jbj s TRP 138 N 1.95 3.39 0.08 3.18 -0.11 -1.26 0.41 118.94 126.57 1jbj s TRP 138 Ca 0.02 0.27 0.04 0.00 1.22 0.00 0.00 56.10 57.65 1jbj s TRP 138 Cb -0.12 -1.77 -0.03 0.00 -1.50 0.00 0.00 33.47 30.04 1jbj s TRP 138 CO -0.03 0.59 -0.12 -0.51 -4.62 0.00 0.00 176.95 172.26 1jbj s LEU 139 N -1.79 2.33 -0.09 5.86 1.02 0.77 -2.60 118.68 124.18 1jbj s LEU 139 Ca 0.24 -0.69 0.03 0.00 0.02 0.00 0.00 54.13 53.73 1jbj s LEU 139 Cb -0.12 -0.38 0.01 0.00 0.02 0.00 0.00 46.19 45.71 1jbj s LEU 139 CO 0.15 -0.17 -0.17 -0.54 0.02 0.00 0.00 176.35 175.65 1jbj s LYS 140 N -2.16 2.25 -0.84 1.70 1.02 0.36 -1.96 119.74 120.11 1jbj s LYS 140 Ca 0.00 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.35 1jbj s LYS 140 Cb -0.07 -1.80 0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1jbj s LYS 140 CO 0.01 0.05 0.19 -0.40 -0.92 0.00 0.00 175.35 174.28 1jbj n ASP 141 N 3.83 -2.71 0.00 2.83 5.68 -1.23 0.11 116.55 125.06 1jbj n ASP 141 Ca -0.21 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1jbj n ASP 141 Cb 0.52 -2.34 0.00 0.00 -1.14 0.00 0.00 41.12 38.16 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jbj n GLY 142 N -0.83 0.60 3.32 6.12 0.00 -1.26 -5.07 105.19 108.08 1jbj n GLY 142 Ca -0.04 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1jbj n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 143 N -2.72 2.29 -0.12 1.61 0.15 0.30 -5.13 113.70 110.08 1jbj s SER 143 Ca 0.00 -1.05 -0.24 0.00 0.70 0.00 0.00 55.95 55.36 1jbj s SER 143 Cb 0.00 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1jbj s SER 143 CO 0.00 -0.26 0.75 -0.63 1.20 0.00 0.00 173.24 174.31 1jbj s ILE 144 N -3.12 4.97 -0.23 6.45 1.09 -1.26 0.14 121.20 129.24 1jbj s ILE 144 Ca 0.22 1.51 -0.04 0.00 -1.10 0.00 0.00 60.65 61.24 1jbj s ILE 144 Cb 0.01 -4.08 0.08 0.00 -1.06 0.00 0.00 42.46 37.41 1jbj s ILE 144 CO 0.05 0.14 0.10 -0.51 -0.10 0.00 0.00 174.94 174.62 1jbj s ILE 145 N 1.48 0.07 0.09 2.92 2.07 -1.07 -4.85 121.20 121.91 1jbj s ILE 145 Ca 0.37 -0.52 0.07 0.00 -1.41 0.00 0.00 60.65 59.16 1jbj s ILE 145 Cb -0.17 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 1jbj s ILE 145 CO 0.15 -0.46 -0.17 -0.44 -1.91 0.00 0.00 174.94 172.11 1jbj s SER 146 N 2.05 2.12 0.43 4.50 0.01 -1.26 -4.51 113.70 117.04 1jbj s SER 146 Ca 0.05 -0.67 -0.04 0.00 1.31 0.00 0.00 55.95 56.60 1jbj s SER 146 Cb -0.16 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1jbj s SER 146 CO -0.20 -0.02 0.71 -2.16 0.41 0.00 0.00 173.24 171.98 1jbj s PRO 147 N -1.89 3.55 -0.22 12.44 0.04 -1.26 -5.01 135.00 142.64 1jbj s PRO 147 Ca 0.03 0.07 0.13 0.00 0.04 0.00 0.00 61.00 61.27 1jbj s PRO 147 Cb -0.10 -2.47 0.45 0.00 0.04 0.00 0.00 34.50 32.43 1jbj s PRO 147 CO 0.03 -0.08 1.34 -0.11 0.04 0.00 0.00 177.00 178.23 1jbj n LEU 148 N -2.00 3.43 -0.83 -3.56 -0.00 -1.26 -4.51 117.00 108.27 1jbj n LEU 148 Ca -0.01 -3.50 -0.04 0.00 -0.00 0.00 0.00 56.01 52.47 1jbj n LEU 148 Cb 0.55 -0.55 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1jbj n LEU 148 CO 0.51 1.05 0.30 0.59 -0.00 0.00 0.00 177.39 179.84 1jbj n ASN 149 N -1.05 -0.52 -3.55 1.96 5.03 -1.26 -5.13 115.26 110.73 1jbj n ASN 149 Ca 0.24 -1.64 -0.15 0.00 0.87 0.00 0.00 54.58 53.90 1jbj n ASN 149 Cb 0.86 0.15 -0.06 0.00 -1.02 0.00 0.00 39.78 39.71 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jbj s ALA 150 N 0.00 -1.83 -0.05 5.41 0.00 -1.26 -5.06 121.76 118.97 1jbj s ALA 150 Ca 0.02 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.50 1jbj s ALA 150 Cb 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.79 1jbj s ALA 150 CO -0.01 -0.34 0.56 -2.37 0.00 0.00 0.00 175.76 173.60 1jbj n THR 151 N 1.15 0.00 -2.10 0.00 5.66 -1.26 -4.68 114.28 113.05 1jbj n THR 151 Ca -0.16 -0.15 -0.40 0.00 -3.05 0.00 0.00 64.05 60.29 1jbj n THR 151 Cb 0.57 0.43 0.03 0.00 -1.55 0.00 0.00 70.33 69.81 1jbj n THR 151 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1jbj n LYS 152 N -0.23 3.47 -1.85 1.09 2.85 -1.26 -4.76 118.16 117.47 1jbj n LYS 152 Ca -0.05 -3.80 -0.15 0.00 -1.05 0.00 0.00 58.31 53.26 1jbj n LYS 152 Cb 0.50 -2.32 -0.04 0.00 -0.65 0.00 0.00 35.03 32.52 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 -0.37 -4.18 -4.47 -5.58 0.23 -1.26 -4.92 115.26 94.71 1jbj n ASN 153 Ca 0.52 0.27 -0.22 0.00 -0.53 0.00 0.00 54.58 54.62 1jbj n ASN 153 Cb 0.24 -3.69 -0.11 0.00 -2.08 0.00 0.00 39.78 34.14 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1jbj s THR 154 N -2.47 1.35 -0.02 5.53 -4.23 -1.26 -1.51 115.64 113.04 1jbj s THR 154 Ca 0.00 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1jbj s THR 154 Cb 0.00 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1jbj s THR 154 CO 0.00 -0.05 -0.07 0.86 -0.54 0.00 0.00 174.62 174.82 1jbj s TRP 155 N -3.18 0.73 -0.35 3.99 -0.00 0.47 -4.72 118.94 115.88 1jbj s TRP 155 Ca 0.35 -0.16 -0.27 0.00 -0.00 0.00 0.00 56.10 56.02 1jbj s TRP 155 Cb 0.08 -0.53 0.02 0.00 -0.00 0.00 0.00 33.47 33.04 1jbj s TRP 155 CO 0.15 -0.08 0.99 1.21 -0.00 0.00 0.00 176.95 179.23 1jbj s ASN 156 N 0.19 6.78 -0.16 5.86 3.84 -1.26 -1.45 114.94 128.74 1jbj s ASN 156 Ca -0.02 0.78 0.12 0.00 0.21 0.00 0.00 52.86 53.94 1jbj s ASN 156 Cb -0.07 -2.50 -0.18 0.00 -0.55 0.00 0.00 41.25 37.95 1jbj s ASN 156 CO 0.00 -0.87 0.01 0.18 -2.79 0.00 0.00 177.10 173.63 1jbj n LEU 157 N 6.84 0.52 0.00 3.21 4.77 -1.15 -5.01 117.00 126.18 1jbj n LEU 157 Ca 0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1jbj n LEU 157 Cb 0.48 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1jbj n LEU 157 CO 0.59 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1jbj n GLY 158 N 2.13 0.36 3.43 -0.72 0.00 -1.26 -4.23 105.19 104.91 1jbj n GLY 158 Ca -0.27 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 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 5.66 0.55 1.61 3.84 -1.26 -0.62 114.94 120.72 1jbj s ASN 159 Ca 0.00 -0.66 0.44 0.00 0.21 0.00 0.00 52.86 52.85 1jbj s ASN 159 Cb 0.00 -2.02 1.65 0.00 -0.55 0.00 0.00 41.25 40.33 1jbj s ASN 159 CO 0.00 -0.26 1.67 -0.55 -2.79 0.00 0.00 177.10 175.17 1jbj h ASN 160 N 8.40 0.01 -0.61 -4.21 7.08 -1.52 1.06 115.58 125.79 1jbj h ASN 160 Ca -0.30 0.01 0.05 0.00 -3.08 0.00 0.00 56.30 52.97 1jbj h ASN 160 Cb 1.13 0.01 -0.04 0.00 -2.08 0.00 0.00 38.32 37.34 1jbj h ASN 160 CO 0.64 -0.01 0.40 0.00 -2.08 0.00 0.00 177.43 176.38 1jbj h ALA 161 N 1.19 1.75 0.00 4.14 0.00 -1.93 -3.35 119.26 121.05 1jbj h ALA 161 Ca 0.79 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.46 1jbj h ALA 161 Cb 3.12 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 20.59 1jbj h ALA 161 CO -0.03 0.17 -0.33 1.17 0.00 0.00 0.00 179.25 180.24 1jbj n LYS 162 N -4.47 1.13 -3.79 0.00 0.00 0.29 -4.73 118.16 106.59 1jbj n LYS 162 Ca 0.08 -1.76 -0.33 0.00 0.00 0.00 0.00 58.31 56.30 1jbj n LYS 162 Cb 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 35.03 35.06 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1jbj s ASP 163 N -1.15 6.45 1.16 3.14 -4.77 0.28 -4.71 116.67 117.08 1jbj s ASP 163 Ca 0.21 0.48 -0.15 0.00 -3.30 0.00 0.00 52.55 49.79 1jbj s ASP 163 Cb 0.37 -2.05 0.24 0.00 -1.09 0.00 0.00 42.92 40.39 1jbj s ASP 163 CO -0.08 0.18 0.53 -2.65 0.70 0.00 0.00 175.17 173.85 1jbj n PRO 164 N 0.65 -2.85 -3.57 2.11 -0.02 -1.26 -4.45 135.00 125.61 1jbj n PRO 164 Ca -0.07 -0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 60.39 1jbj n PRO 164 Cb 0.52 -1.35 -0.05 0.00 -0.02 0.00 0.00 33.50 32.60 1jbj n PRO 164 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1jbj s ARG 165 N -3.94 1.08 0.00 -0.52 1.04 -1.26 -4.46 118.95 110.89 1jbj s ARG 165 Ca 0.41 -0.39 0.00 0.00 -1.04 0.00 0.00 55.73 54.71 1jbj s ARG 165 Cb -0.07 0.49 0.00 0.00 -2.04 0.00 0.00 34.95 33.33 1jbj s ARG 165 CO 0.34 -0.41 0.00 0.41 -0.04 0.00 0.00 175.30 175.60 1jbj n GLY 166 N 0.12 -0.88 3.46 3.88 0.00 -0.93 -5.00 105.19 105.84 1jbj n GLY 166 Ca -0.18 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.00 4.68 -0.20 2.61 -4.23 -1.25 -1.09 115.64 113.16 1jbj s THR 167 Ca 0.00 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1jbj s THR 167 Cb 0.00 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.54 1jbj s THR 167 CO 0.00 0.13 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.77 1jbj s TYR 168 N 1.64 2.58 0.05 3.99 2.02 0.24 -3.50 117.35 124.37 1jbj s TYR 168 Ca 0.05 -1.65 -0.03 0.00 -0.37 0.00 0.00 57.07 55.07 1jbj s TYR 168 Cb -0.17 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1jbj s TYR 168 CO 0.07 -0.77 0.24 1.14 -1.57 0.00 0.00 175.55 174.66 1jbj s GLN 169 N 1.34 3.49 0.12 -0.62 -2.07 -0.83 0.68 119.66 121.78 1jbj s GLN 169 Ca 0.00 -0.29 0.08 0.00 -1.82 0.00 0.00 55.36 53.33 1jbj s GLN 169 Cb -0.15 -3.02 -0.04 0.00 -1.09 0.00 0.00 33.01 28.70 1jbj s GLN 169 CO -0.09 0.60 -0.21 0.00 -1.32 0.00 0.00 175.29 174.28 1jbj s GLN 171 N -2.14 1.96 0.45 0.00 -0.21 0.16 0.04 119.66 119.93 1jbj s GLN 171 Ca 0.09 -1.29 -0.08 0.00 0.02 0.00 0.00 55.36 54.10 1jbj s GLN 171 Cb -0.09 -2.82 -0.05 0.00 1.00 0.00 0.00 33.01 31.05 1jbj s GLN 171 CO 0.05 -0.62 0.80 0.20 -2.12 0.00 0.00 175.29 173.60 1jbj s GLY 172 N 1.18 1.74 0.13 3.09 0.00 0.57 -1.90 107.32 112.14 1jbj s GLY 172 Ca -0.06 -0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.09 1jbj s GLY 172 CO -0.06 -0.13 1.46 0.00 0.00 0.00 0.00 173.10 174.37 1jbj h ALA 173 N 0.72 -0.48 -0.28 3.20 0.00 -1.51 -2.30 119.26 118.61 1jbj h ALA 173 Ca -0.47 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1jbj h ALA 173 Cb 1.19 1.31 0.00 0.00 0.00 0.00 0.00 17.79 20.30 1jbj h ALA 173 CO 0.63 -0.83 0.00 1.17 0.00 0.00 0.00 179.25 180.22 1jbj n LYS 174 N -4.92 2.88 -4.18 0.00 3.00 -1.26 -5.01 118.16 108.67 1jbj n LYS 174 Ca 0.01 -2.03 -0.11 0.00 -0.00 0.00 0.00 58.31 56.18 1jbj n LYS 174 Cb 0.22 -1.27 -0.10 0.00 0.00 0.00 0.00 35.03 33.88 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 -1.16 0.98 -0.18 1.64 0.41 -0.87 -5.15 118.70 114.37 1jbj s GLU 175 Ca 0.21 -1.46 -0.04 0.00 -0.41 0.00 0.00 54.97 53.27 1jbj s GLU 175 Cb 0.12 0.04 0.08 0.00 -1.78 0.00 0.00 34.13 32.59 1jbj s GLU 175 CO 0.13 -0.20 0.18 0.99 -0.49 0.00 0.00 175.26 175.87 1jbj s THR 176 N -3.88 -0.26 0.27 3.63 2.01 -1.26 0.21 115.64 116.36 1jbj s THR 176 Ca 0.23 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 1jbj s THR 176 Cb 0.07 -0.61 -0.09 0.00 0.01 0.00 0.00 72.50 71.88 1jbj s THR 176 CO 0.02 -0.18 0.83 -0.44 -0.69 0.00 0.00 174.62 174.15 1jbj s SER 177 N 2.27 7.20 0.55 3.53 0.01 0.11 -4.93 113.70 122.43 1jbj s SER 177 Ca 0.05 1.62 -0.10 0.00 1.31 0.00 0.00 55.95 58.83 1jbj s SER 177 Cb -0.15 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1jbj s SER 177 CO -0.11 -0.01 0.92 0.20 0.41 0.00 0.00 173.24 174.66 1jbj s ASN 178 N -1.62 6.30 -0.44 2.44 -0.87 -1.26 -2.68 114.94 116.80 1jbj s ASN 178 Ca 0.46 1.25 -0.38 0.00 -1.57 0.00 0.00 52.86 52.62 1jbj s ASN 178 Cb -0.18 -2.39 -0.15 0.00 -0.02 0.00 0.00 41.25 38.52 1jbj s ASN 178 CO 0.22 -0.71 2.20 -2.65 -2.57 0.00 0.00 177.10 173.59 1jbj n PRO 179 N -2.37 0.60 -2.68 -0.60 -0.02 -1.26 -4.48 135.00 124.19 1jbj n PRO 179 Ca 0.04 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 1jbj n PRO 179 Cb 0.54 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jbj s LEU 180 N 6.96 4.28 -0.91 2.45 2.96 0.22 -4.60 118.68 130.04 1jbj s LEU 180 Ca 1.15 1.58 -0.20 0.00 -0.22 0.00 0.00 54.13 56.44 1jbj s LEU 180 Cb -1.12 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 42.12 1jbj s LEU 180 CO 0.55 -0.41 1.17 -1.58 -1.32 0.00 0.00 176.35 174.76 1jbj s GLN 181 N 1.77 3.52 -0.67 1.98 0.74 -1.26 -0.60 119.66 125.15 1jbj s GLN 181 Ca 0.50 -1.48 -0.18 0.00 0.05 0.00 0.00 55.36 54.24 1jbj s GLN 181 Cb -0.19 -4.90 0.12 0.00 1.10 0.00 0.00 33.01 29.14 1jbj s GLN 181 CO 0.21 -1.87 0.78 0.08 -0.55 0.00 0.00 175.29 173.94 1jbj s VAL 182 N 3.37 4.87 -0.17 1.34 1.01 -0.25 -0.65 120.40 129.92 1jbj s VAL 182 Ca 0.34 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1jbj s VAL 182 Cb -0.06 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1jbj s VAL 182 CO -0.06 -1.19 0.13 -0.47 0.00 0.00 0.00 175.10 173.51 1jbj s TYR 183 N 2.47 3.47 0.15 5.22 5.04 -0.19 -2.20 117.35 131.30 1jbj s TYR 183 Ca 0.16 0.39 0.03 0.00 -2.44 0.00 0.00 57.07 55.21 1jbj s TYR 183 Cb -0.20 -2.09 -0.01 0.00 0.35 0.00 0.00 41.96 40.02 1jbj s TYR 183 CO 0.02 0.43 0.10 0.66 -1.34 0.00 0.00 175.55 175.43 1jbj n TYR 184 N 3.02 -0.22 -1.66 4.97 4.01 -1.26 -2.36 117.16 123.66 1jbj n TYR 184 Ca -0.17 -1.15 -0.45 0.00 -0.16 0.00 0.00 57.90 55.97 1jbj n TYR 184 Cb 0.53 0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.30 2.43 -0.48 -0.72 3.00 -1.26 -4.93 116.66 114.41 1jbj n ARG 185 Ca 0.02 0.87 0.00 0.00 -0.00 0.00 0.00 57.85 58.74 1jbj n ARG 185 Cb 0.25 -2.85 0.00 0.00 0.00 0.00 0.00 32.46 29.86 1jbj n ARG 185 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51