#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 3.95 0.61 -1.12 1.47 -1.26 -5.07 116.67 115.24 1jbj s ASP 2 Ca 0.00 -1.49 0.00 0.00 1.18 0.00 0.00 52.55 52.24 1jbj s ASP 2 Cb 0.00 -1.03 0.00 0.00 -0.34 0.00 0.00 42.92 41.55 1jbj s ASP 2 CO 0.00 -0.35 0.00 0.00 0.68 0.00 0.00 175.17 175.50 1jbj n ALA 3 N 4.74 -3.82 -1.52 2.11 0.00 -1.26 -4.87 120.51 115.89 1jbj n ALA 3 Ca -0.05 0.92 -0.31 0.00 0.00 0.00 0.00 53.44 54.00 1jbj n ALA 3 Cb 0.43 -1.58 0.06 0.00 0.00 0.00 0.00 19.45 18.36 1jbj n ALA 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jbj s GLU 4 N -4.17 2.83 -0.42 0.00 2.02 -1.26 -5.02 118.70 112.68 1jbj s GLU 4 Ca 0.00 1.00 0.09 0.00 0.02 0.00 0.00 54.97 56.08 1jbj s GLU 4 Cb 0.00 -1.97 0.34 0.00 0.10 0.00 0.00 34.13 32.60 1jbj s GLU 4 CO 0.00 -1.18 1.01 0.09 0.02 0.00 0.00 175.26 175.20 1jbj n ASN 5 N -3.16 -1.14 -4.75 -0.19 4.13 -1.26 -5.07 115.26 103.82 1jbj n ASN 5 Ca 0.08 -3.34 -0.29 0.00 1.68 0.00 0.00 54.58 52.71 1jbj n ASN 5 Cb 0.53 0.94 -0.07 0.00 -1.54 0.00 0.00 39.78 39.65 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1jbj s ILE 6 N -0.74 1.62 1.16 2.41 -1.09 -1.26 -5.13 121.20 118.17 1jbj s ILE 6 Ca 0.28 -1.86 -0.13 0.00 -2.23 0.00 0.00 60.65 56.71 1jbj s ILE 6 Cb 0.33 -2.48 0.28 0.00 -1.58 0.00 0.00 42.46 39.00 1jbj s ILE 6 CO -0.06 0.00 1.03 -1.61 -1.23 0.00 0.00 174.94 173.07 1jbj s GLU 7 N -3.91 -0.89 0.16 2.79 8.01 -1.26 -4.72 118.70 118.89 1jbj s GLU 7 Ca 0.23 0.84 -0.33 0.00 0.01 0.00 0.00 54.97 55.72 1jbj s GLU 7 Cb 0.03 -1.56 -0.16 0.00 -4.31 0.00 0.00 34.13 28.14 1jbj s GLU 7 CO 0.12 -3.70 1.22 0.66 0.01 0.00 0.00 175.26 173.57 1jbj n TYR 8 N -4.90 1.42 -4.36 1.61 4.02 -1.26 -4.93 117.16 108.75 1jbj n TYR 8 Ca 0.03 0.64 -0.30 0.00 -0.01 0.00 0.00 57.90 58.26 1jbj n TYR 8 Cb 0.54 -2.31 -0.11 0.00 -0.02 0.00 0.00 39.34 37.45 1jbj n TYR 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1jbj s LYS 9 N -0.23 2.15 -0.03 -0.72 1.02 -1.07 -4.96 119.74 115.91 1jbj s LYS 9 Ca 0.75 -0.98 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 1jbj s LYS 9 Cb -0.85 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1jbj s LYS 9 CO 0.51 0.53 0.08 0.08 -0.92 0.00 0.00 175.35 175.62 1jbj s VAL 10 N -1.11 0.01 -0.21 3.17 1.01 -1.26 -0.51 120.40 121.50 1jbj s VAL 10 Ca 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1jbj s VAL 10 Cb -0.11 -0.14 0.08 0.00 0.00 0.00 0.00 36.38 36.22 1jbj s VAL 10 CO 0.11 -0.04 0.46 -0.44 0.00 0.00 0.00 175.10 175.19 1jbj s SER 11 N -0.09 -0.47 -0.17 3.32 0.01 -0.67 -4.96 113.70 110.67 1jbj s SER 11 Ca -0.01 1.06 -0.26 0.00 1.31 0.00 0.00 55.95 58.05 1jbj s SER 11 Cb -0.01 1.28 -0.01 0.00 0.21 0.00 0.00 66.02 67.48 1jbj s SER 11 CO 0.00 -0.22 0.86 -0.63 0.41 0.00 0.00 173.24 173.66 1jbj s ILE 12 N 2.22 4.86 -0.30 1.44 1.01 -1.26 -0.27 121.20 128.90 1jbj s ILE 12 Ca -0.05 1.69 0.02 0.00 0.00 0.00 0.00 60.65 62.31 1jbj s ILE 12 Cb -0.10 -4.16 0.08 0.00 0.01 0.00 0.00 42.46 38.29 1jbj s ILE 12 CO -0.14 0.02 0.01 -0.44 0.00 0.00 0.00 174.94 174.38 1jbj s SER 13 N 1.15 4.37 -0.99 3.58 0.01 0.71 -4.87 113.70 117.67 1jbj s SER 13 Ca 0.39 -1.71 -0.13 0.00 1.31 0.00 0.00 55.95 55.82 1jbj s SER 13 Cb -0.17 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1jbj s SER 13 CO 0.13 -0.32 0.71 0.61 0.41 0.00 0.00 173.24 174.78 1jbj n GLY 14 N 4.48 -1.11 2.93 3.44 0.00 -1.26 -0.71 105.19 112.97 1jbj n GLY 14 Ca -0.04 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.42 0.00 -4.37 2.61 -1.04 -1.26 -4.74 114.28 102.06 1jbj n THR 15 Ca -0.14 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 1jbj n THR 15 Cb 0.60 -0.73 -0.16 0.00 -1.82 0.00 0.00 70.33 68.22 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 -2.03 2.87 0.17 8.00 0.01 0.11 0.11 113.70 122.95 1jbj s SER 16 Ca 0.00 -0.55 -0.17 0.00 1.31 0.00 0.00 55.95 56.54 1jbj s SER 16 Cb 0.00 -1.32 -0.07 0.00 0.21 0.00 0.00 66.02 64.84 1jbj s SER 16 CO 0.00 0.02 0.62 -0.69 0.41 0.00 0.00 173.24 173.60 1jbj s VAL 17 N 1.09 4.73 -0.26 3.43 1.01 0.33 0.26 120.40 130.99 1jbj s VAL 17 Ca -0.02 1.04 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 1jbj s VAL 17 Cb -0.14 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.52 1jbj s VAL 17 CO -0.06 0.24 0.02 -0.70 0.00 0.00 0.00 175.10 174.60 1jbj s GLU 18 N -1.92 1.12 0.07 2.72 -6.30 0.62 0.18 118.70 115.19 1jbj s GLU 18 Ca 0.40 -0.96 -0.03 0.00 -2.50 0.00 0.00 54.97 51.87 1jbj s GLU 18 Cb -0.16 -2.36 -0.05 0.00 0.00 0.00 0.00 34.13 31.56 1jbj s GLU 18 CO 0.20 -0.75 0.28 -0.51 0.02 0.00 0.00 175.26 174.50 1jbj s LEU 19 N 1.52 4.33 -0.25 2.70 1.43 0.29 -1.67 118.68 127.03 1jbj s LEU 19 Ca 0.01 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1jbj s LEU 19 Cb -0.18 -2.99 0.06 0.00 0.03 0.00 0.00 46.19 43.10 1jbj s LEU 19 CO -0.12 0.15 -0.11 -0.89 0.23 0.00 0.00 176.35 175.61 1jbj s THR 20 N -1.50 2.09 0.42 5.49 2.01 0.34 -0.34 115.64 124.14 1jbj s THR 20 Ca 0.35 -1.52 -0.15 0.00 0.31 0.00 0.00 61.69 60.68 1jbj s THR 20 Cb -0.13 -2.18 -0.08 0.00 0.01 0.00 0.00 72.50 70.12 1jbj s THR 20 CO 0.23 0.02 0.86 0.00 -0.69 0.00 0.00 174.62 175.05 1jbj n PRO 22 N -1.01 1.18 -4.10 0.00 -0.04 -1.26 -4.73 135.00 125.03 1jbj n PRO 22 Ca 0.05 -0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 63.00 1jbj n PRO 22 Cb 0.54 -1.36 -0.16 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.46 2.28 0.51 1.53 1.43 -1.26 -5.06 118.68 117.65 1jbj s LEU 23 Ca 0.03 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 1jbj s LEU 23 Cb 0.02 -1.53 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 1jbj s LEU 23 CO 0.01 0.00 0.72 0.47 0.23 0.00 0.00 176.35 177.78 1jbj n ASP 24 N 4.63 -0.16 -4.56 2.29 8.00 -1.26 -4.52 116.55 120.97 1jbj n ASP 24 Ca -0.20 0.85 -0.37 0.00 0.71 0.00 0.00 54.79 55.78 1jbj n ASP 24 Cb 0.50 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.12 40.32 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jbj s SER 25 N -1.05 5.83 0.49 -2.24 1.04 -1.26 -4.78 113.70 111.73 1jbj s SER 25 Ca 0.68 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 56.42 1jbj s SER 25 Cb -0.49 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.08 1jbj s SER 25 CO 0.54 -2.08 0.72 -1.81 0.98 0.00 0.00 173.24 171.59 1jbj s ASP 26 N 6.11 5.60 0.00 7.02 1.11 -1.26 -4.89 116.67 130.36 1jbj s ASP 26 Ca 0.54 0.18 0.00 0.00 0.18 0.00 0.00 52.55 53.45 1jbj s ASP 26 Cb -0.06 -1.27 0.00 0.00 1.07 0.00 0.00 42.92 42.66 1jbj s ASP 26 CO 0.04 -0.89 0.90 -0.62 1.18 0.00 0.00 175.17 175.78 1jbj n GLU 27 N -2.20 0.88 -0.47 8.23 1.02 -1.26 -2.43 120.64 124.42 1jbj n GLU 27 Ca 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1jbj n GLU 27 Cb 0.58 -1.06 -0.01 0.00 -0.02 0.00 0.00 31.44 30.94 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 0.58 -0.08 -4.76 1.62 3.02 -1.26 -5.08 115.26 109.30 1jbj n ASN 28 Ca 0.00 -0.92 -0.40 0.00 -0.03 0.00 0.00 54.58 53.23 1jbj n ASN 28 Cb 0.44 0.02 -0.06 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 4.61 0.19 3.41 2.96 -1.02 -4.11 118.68 124.72 1jbj s LEU 29 Ca 0.00 1.82 0.01 0.00 -0.22 0.00 0.00 54.13 55.74 1jbj s LEU 29 Cb 0.00 -3.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 1jbj s LEU 29 CO 0.00 0.17 0.03 -0.54 -1.32 0.00 0.00 176.35 174.69 1jbj s LYS 30 N -1.22 1.18 0.44 1.98 3.01 -0.86 -2.54 119.74 121.73 1jbj s LYS 30 Ca 0.39 -1.59 0.03 0.00 -1.01 0.00 0.00 55.97 53.79 1jbj s LYS 30 Cb -0.24 -0.22 -0.03 0.00 -1.01 0.00 0.00 37.83 36.33 1jbj s LYS 30 CO 0.29 -0.19 0.06 -1.58 0.51 0.00 0.00 175.35 174.44 1jbj s TRP 31 N -3.72 1.91 0.02 3.18 0.52 -1.11 -2.39 118.94 117.36 1jbj s TRP 31 Ca 0.28 -1.06 -0.18 0.00 0.02 0.00 0.00 56.10 55.16 1jbj s TRP 31 Cb 0.07 -1.41 0.03 0.00 -1.15 0.00 0.00 33.47 31.01 1jbj s TRP 31 CO 0.07 0.01 0.41 -2.00 0.02 0.00 0.00 176.95 175.46 1jbj s GLU 32 N -3.80 0.87 -0.30 4.98 -6.30 -0.38 -1.91 118.70 111.87 1jbj s GLU 32 Ca 0.20 -0.29 -0.03 0.00 -2.50 0.00 0.00 54.97 52.36 1jbj s GLU 32 Cb 0.04 0.39 0.10 0.00 0.00 0.00 0.00 34.13 34.66 1jbj s GLU 32 CO 0.11 -0.29 0.12 0.21 0.02 0.00 0.00 175.26 175.43 1jbj s LYS 33 N -2.15 0.42 0.83 4.30 2.36 0.17 -2.25 119.74 123.43 1jbj s LYS 33 Ca -0.07 -0.79 0.00 0.00 -2.55 0.00 0.00 55.97 52.56 1jbj s LYS 33 Cb -0.02 -1.51 0.00 0.00 -1.05 0.00 0.00 37.83 35.25 1jbj s LYS 33 CO -0.00 -1.01 0.00 -1.71 1.55 0.00 0.00 175.35 174.18 1jbj n ASN 34 N 5.04 0.00 -0.01 1.43 5.15 -0.65 -1.00 115.26 125.22 1jbj n ASN 34 Ca -0.04 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1jbj n ASN 34 Cb 0.42 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.64 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jbj n GLY 35 N 0.00 -0.15 3.87 8.20 0.00 -1.26 -4.99 105.19 110.86 1jbj n GLY 35 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.13 3.80 -0.08 1.61 -1.52 -0.17 -5.09 119.66 116.09 1jbj s GLN 36 Ca -0.01 0.39 0.01 0.00 -1.95 0.00 0.00 55.36 53.80 1jbj s GLN 36 Cb 0.01 -2.49 -0.03 0.00 -0.22 0.00 0.00 33.01 30.29 1jbj s GLN 36 CO 0.13 0.11 -0.11 -1.21 -0.25 0.00 0.00 175.29 173.97 1jbj s GLU 37 N -3.42 2.86 -0.48 2.91 8.01 -1.26 0.45 118.70 127.76 1jbj s GLU 37 Ca 0.50 -0.63 -0.16 0.00 0.01 0.00 0.00 54.97 54.69 1jbj s GLU 37 Cb -0.10 -2.55 0.08 0.00 -4.31 0.00 0.00 34.13 27.25 1jbj s GLU 37 CO 0.26 0.52 0.42 -0.51 0.01 0.00 0.00 175.26 175.96 1jbj s LEU 38 N -0.45 5.70 0.80 1.80 1.43 -0.80 -4.94 118.68 122.23 1jbj s LEU 38 Ca 0.06 -1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 51.66 1jbj s LEU 38 Cb -0.12 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 44.00 1jbj s LEU 38 CO 0.02 -0.69 1.16 -2.16 0.23 0.00 0.00 176.35 174.91 1jbj s PRO 39 N 1.66 1.83 -1.67 1.29 0.04 -1.26 -2.74 135.00 134.15 1jbj s PRO 39 Ca 0.04 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1jbj s PRO 39 Cb -0.25 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1jbj s PRO 39 CO 0.06 -1.63 0.00 1.04 0.04 0.00 0.00 177.00 176.52 1jbj n GLN 40 N -3.28 -1.74 -3.02 4.56 6.02 -1.26 -4.89 117.38 113.77 1jbj n GLN 40 Ca 0.09 0.94 -0.38 0.00 -0.01 0.00 0.00 57.00 57.65 1jbj n GLN 40 Cb 0.61 -5.52 -0.01 0.00 1.02 0.00 0.00 30.24 26.33 1jbj n GLN 40 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1jbj n LYS 41 N -2.79 4.14 -1.02 -1.09 0.00 -1.25 -4.85 118.16 111.30 1jbj n LYS 41 Ca -0.21 -4.63 -0.18 0.00 0.00 0.00 0.00 58.31 53.28 1jbj n LYS 41 Cb 0.65 -2.42 0.01 0.00 0.00 0.00 0.00 35.03 33.27 1jbj n LYS 41 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1jbj n HIS 42 N 0.81 1.48 -4.51 5.64 1.44 -1.05 -3.17 115.22 115.85 1jbj n HIS 42 Ca 0.31 -1.93 -0.26 0.00 -2.01 0.00 0.00 57.72 53.83 1jbj n HIS 42 Cb 0.34 -1.06 -0.13 0.00 0.12 0.00 0.00 29.99 29.26 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 0.31 2.68 0.15 4.39 -1.08 -1.26 -4.43 116.67 117.43 1jbj s ASP 43 Ca 0.37 -0.62 -0.03 0.00 -0.52 0.00 0.00 52.55 51.75 1jbj s ASP 43 Cb 0.27 -0.19 -0.02 0.00 -1.46 0.00 0.00 42.92 41.52 1jbj s ASP 43 CO -0.05 0.14 1.37 0.50 0.52 0.00 0.00 175.17 177.65 1jbj h LYS 44 N 4.45 0.42 -5.01 4.34 3.64 -1.86 -3.43 116.57 119.12 1jbj h LYS 44 Ca -0.45 -0.39 -0.65 0.00 -1.27 0.00 0.00 60.65 57.89 1jbj h LYS 44 Cb 1.17 0.10 -0.22 0.00 -0.41 0.00 0.00 32.23 32.86 1jbj h LYS 44 CO 0.42 1.04 -0.63 -3.38 -2.27 0.00 0.00 179.45 174.63 1jbj s HIS 45 N -3.47 3.09 -0.12 1.91 -3.43 -1.26 -0.88 115.29 111.12 1jbj s HIS 45 Ca -0.06 -0.39 -0.14 0.00 -0.80 0.00 0.00 55.06 53.67 1jbj s HIS 45 Cb 0.10 -2.19 -0.05 0.00 -1.43 0.00 0.00 32.58 29.01 1jbj s HIS 45 CO 0.85 -0.29 0.33 -1.17 -2.00 0.00 0.00 174.74 172.46 1jbj s LEU 46 N 1.39 4.30 0.03 5.38 2.96 0.54 -4.86 118.68 128.42 1jbj s LEU 46 Ca 0.05 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 1jbj s LEU 46 Cb -0.15 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1jbj s LEU 46 CO 0.03 0.14 0.02 -0.69 -1.32 0.00 0.00 176.35 174.53 1jbj s VAL 47 N 0.13 4.21 -0.42 1.68 1.01 -1.26 0.11 120.40 125.86 1jbj s VAL 47 Ca 0.19 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1jbj s VAL 47 Cb -0.14 -2.93 0.12 0.00 0.00 0.00 0.00 36.38 33.43 1jbj s VAL 47 CO 0.06 0.28 0.18 -0.76 0.00 0.00 0.00 175.10 174.86 1jbj s LEU 48 N -1.86 3.55 -0.30 3.92 1.43 0.48 -4.93 118.68 120.97 1jbj s LEU 48 Ca 0.23 -2.46 -0.29 0.00 -1.03 0.00 0.00 54.13 50.57 1jbj s LEU 48 Cb -0.12 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1jbj s LEU 48 CO 0.14 -0.31 1.08 -1.10 0.23 0.00 0.00 176.35 176.39 1jbj s GLN 49 N 0.51 4.10 -0.23 1.70 -0.21 -1.26 0.12 119.66 124.38 1jbj s GLN 49 Ca 0.15 1.14 -0.01 0.00 0.02 0.00 0.00 55.36 56.66 1jbj s GLN 49 Cb -0.22 -3.72 0.00 0.00 1.00 0.00 0.00 33.01 30.06 1jbj s GLN 49 CO -0.06 -0.86 0.23 -3.47 -2.12 0.00 0.00 175.29 169.02 1jbj n ASP 50 N 6.79 -4.00 -4.69 5.90 2.03 0.30 -4.96 116.55 117.92 1jbj n ASP 50 Ca 0.12 0.01 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 1jbj n ASP 50 Cb 0.47 -2.49 -0.03 0.00 -0.72 0.00 0.00 41.12 38.35 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 -2.74 2.81 -0.38 -0.67 5.36 -1.20 -4.99 117.98 116.17 1jbj s PHE 51 Ca 0.02 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 56.74 1jbj s PHE 51 Cb -0.00 -3.71 0.13 0.00 -0.34 0.00 0.00 43.02 39.09 1jbj s PHE 51 CO 0.26 -2.66 0.20 0.45 -1.46 0.00 0.00 175.22 172.01 1jbj s SER 52 N 1.92 3.53 0.36 6.13 0.15 -1.26 -3.51 113.70 121.02 1jbj s SER 52 Ca 0.65 -2.27 0.07 0.00 0.70 0.00 0.00 55.95 55.11 1jbj s SER 52 Cb -0.33 -0.80 0.78 0.00 -1.71 0.00 0.00 66.02 63.96 1jbj s SER 52 CO 0.28 -0.31 1.92 1.05 1.20 0.00 0.00 173.24 177.37 1jbj h GLU 53 N 7.13 0.70 -0.61 5.44 -0.00 -1.91 0.32 114.58 125.65 1jbj h GLU 53 Ca -0.02 -0.04 0.02 0.00 -0.00 0.00 0.00 59.36 59.32 1jbj h GLU 53 Cb 0.96 -0.16 -0.03 0.00 -0.00 0.00 0.00 28.75 29.52 1jbj h GLU 53 CO 0.42 0.46 0.41 0.28 -0.00 0.00 0.00 179.01 180.58 1jbj h VAL 54 N 0.72 1.12 0.00 -1.06 2.07 -1.94 -1.76 116.25 115.41 1jbj h VAL 54 Ca 0.37 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1jbj h VAL 54 Cb 0.48 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1jbj h VAL 54 CO -0.15 0.14 -0.83 -0.62 0.02 0.00 0.00 177.57 176.14 1jbj n GLU 55 N -4.45 0.02 0.00 1.57 1.02 -0.10 -4.88 120.64 113.81 1jbj n GLU 55 Ca 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1jbj n GLU 55 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1jbj n GLU 55 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jbj n ASP 56 N -1.52 0.00 -2.96 1.62 8.00 0.95 -5.05 116.55 117.58 1jbj n ASP 56 Ca 0.04 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.53 1jbj n ASP 56 Cb 0.34 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.43 1jbj n ASP 56 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jbj n SER 57 N 0.00 -6.19 0.00 -2.24 2.88 -0.77 -4.94 113.62 102.36 1jbj n SER 57 Ca 0.00 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1jbj n SER 57 Cb 0.00 -3.02 0.00 0.00 -0.75 0.00 0.00 64.21 60.44 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 1.53 2.44 3.57 0.46 0.00 -1.13 -5.05 105.19 107.02 1jbj n GLY 58 Ca -0.07 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1jbj n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbj s TYR 59 N -0.09 2.42 0.04 1.61 1.51 -1.26 -1.42 117.35 120.16 1jbj s TYR 59 Ca 0.00 -0.63 -0.09 0.00 -1.01 0.00 0.00 57.07 55.35 1jbj s TYR 59 Cb 0.00 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 1jbj s TYR 59 CO 0.00 0.47 0.17 0.71 -1.11 0.00 0.00 175.55 175.79 1jbj s TYR 60 N -2.72 0.08 0.15 2.71 1.51 -0.91 -1.64 117.35 116.54 1jbj s TYR 60 Ca 0.34 -0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 55.95 1jbj s TYR 60 Cb 0.07 -0.05 0.02 0.00 -0.11 0.00 0.00 41.96 41.88 1jbj s TYR 60 CO 0.17 -0.41 0.37 0.54 -1.11 0.00 0.00 175.55 175.11 1jbj s VAL 61 N -2.52 0.07 -0.03 0.71 0.11 -0.95 -2.33 120.40 115.45 1jbj s VAL 61 Ca -0.05 -0.95 -0.03 0.00 -2.93 0.00 0.00 61.98 58.02 1jbj s VAL 61 Cb -0.01 -1.49 0.01 0.00 -1.53 0.00 0.00 36.38 33.35 1jbj s VAL 61 CO -0.04 -0.31 0.08 0.00 -3.33 0.00 0.00 175.10 171.51 1jbj s TYR 63 N 0.04 -0.57 0.07 0.00 -0.85 -1.00 -4.32 117.35 110.72 1jbj s TYR 63 Ca -0.00 0.52 0.06 0.00 -0.52 0.00 0.00 57.07 57.13 1jbj s TYR 63 Cb -0.01 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1jbj s TYR 63 CO 0.00 -0.79 -0.17 0.95 -1.52 0.00 0.00 175.55 174.02 1jbj s THR 64 N -3.14 1.35 0.46 -3.49 -4.23 -0.99 -2.02 115.64 103.59 1jbj s THR 64 Ca -0.02 -1.28 0.22 0.00 -1.18 0.00 0.00 61.69 59.43 1jbj s THR 64 Cb -0.01 -1.24 0.41 0.00 1.34 0.00 0.00 72.50 73.00 1jbj s THR 64 CO -0.08 -0.06 1.87 -0.65 -0.54 0.00 0.00 174.62 175.16 1jbj h PRO 65 N 4.47 0.26 0.00 3.99 0.11 -2.00 0.20 132.00 139.03 1jbj h PRO 65 Ca -0.42 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1jbj h PRO 65 Cb 1.18 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1jbj h PRO 65 CO 0.41 0.17 -0.90 0.00 -0.21 0.00 0.00 178.00 177.47 1jbj h ALA 66 N 1.60 0.66 -3.45 -0.75 0.00 -1.96 -3.42 119.26 111.95 1jbj h ALA 66 Ca 0.45 -0.46 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1jbj h ALA 66 Cb 1.34 0.08 -0.38 0.00 0.00 0.00 0.00 17.79 18.83 1jbj h ALA 66 CO -0.12 0.53 -0.63 -1.12 0.00 0.00 0.00 179.25 177.91 1jbj s SER 67 N -5.94 4.89 -1.60 0.00 0.01 0.71 -5.00 113.70 106.77 1jbj s SER 67 Ca 0.01 -2.28 -0.10 0.00 1.31 0.00 0.00 55.95 54.89 1jbj s SER 67 Cb 0.08 -1.71 -0.07 0.00 0.21 0.00 0.00 66.02 64.54 1jbj s SER 67 CO 0.77 -0.41 2.89 -3.20 0.41 0.00 0.00 173.24 173.71 1jbj n ASN 68 N 4.16 8.57 -3.87 2.44 5.15 -1.24 -2.34 115.26 128.12 1jbj n ASN 68 Ca 0.03 -2.63 -0.25 0.00 -0.60 0.00 0.00 54.58 51.12 1jbj n ASN 68 Cb 0.40 -1.54 -0.17 0.00 -0.53 0.00 0.00 39.78 37.94 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1jbj s LYS 69 N 1.90 1.24 -0.01 1.20 2.47 -1.26 -5.08 119.74 120.20 1jbj s LYS 69 Ca 0.68 -0.15 0.02 0.00 -1.56 0.00 0.00 55.97 54.95 1jbj s LYS 69 Cb 0.18 -1.37 -0.00 0.00 -1.46 0.00 0.00 37.83 35.18 1jbj s LYS 69 CO -0.06 -0.26 -0.06 0.54 0.16 0.00 0.00 175.35 175.67 1jbj s ASN 70 N 1.70 0.69 -0.06 1.43 2.20 -1.26 -4.34 114.94 115.30 1jbj s ASN 70 Ca 0.03 -0.11 0.04 0.00 -0.94 0.00 0.00 52.86 51.88 1jbj s ASN 70 Cb -0.13 -0.09 0.00 0.00 -2.00 0.00 0.00 41.25 39.03 1jbj s ASN 70 CO -0.06 0.06 -0.16 -0.89 -2.94 0.00 0.00 177.10 173.11 1jbj s THR 71 N -0.07 1.42 -0.39 0.54 2.01 -1.26 -5.03 115.64 112.85 1jbj s THR 71 Ca 0.01 -0.68 -0.23 0.00 0.31 0.00 0.00 61.69 61.11 1jbj s THR 71 Cb -0.03 -1.24 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1jbj s THR 71 CO -0.00 0.41 0.77 -0.31 -0.69 0.00 0.00 174.62 174.80 1jbj s TYR 72 N 0.29 3.07 0.12 4.92 2.02 -1.26 -4.33 117.35 122.18 1jbj s TYR 72 Ca -0.10 0.40 0.05 0.00 -0.37 0.00 0.00 57.07 57.05 1jbj s TYR 72 Cb -0.14 -3.48 -0.04 0.00 -0.40 0.00 0.00 41.96 37.90 1jbj s TYR 72 CO 0.04 -0.82 0.05 -0.48 -1.57 0.00 0.00 175.55 172.76 1jbj s LEU 73 N 3.15 3.59 -0.28 -1.29 0.05 -0.98 -4.43 118.68 118.48 1jbj s LEU 73 Ca 0.30 -0.16 -0.07 0.00 0.05 0.00 0.00 54.13 54.25 1jbj s LEU 73 Cb -0.13 -2.27 -0.00 0.00 -2.05 0.00 0.00 46.19 41.73 1jbj s LEU 73 CO 0.19 0.14 0.09 -0.47 -0.55 0.00 0.00 176.35 175.75 1jbj s TYR 74 N -1.48 3.13 -0.20 3.48 6.14 0.00 -2.14 117.35 126.28 1jbj s TYR 74 Ca 0.28 -0.76 0.01 0.00 0.64 0.00 0.00 57.07 57.24 1jbj s TYR 74 Cb -0.11 -2.27 0.03 0.00 0.42 0.00 0.00 41.96 40.03 1jbj s TYR 74 CO 0.20 -0.50 -0.17 -1.17 0.64 0.00 0.00 175.55 174.55 1jbj s LEU 75 N 1.55 2.48 -0.24 6.97 0.20 -0.50 -2.36 118.68 126.77 1jbj s LEU 75 Ca 0.04 -0.81 -0.02 0.00 0.69 0.00 0.00 54.13 54.02 1jbj s LEU 75 Cb -0.17 -1.51 0.12 0.00 -0.43 0.00 0.00 46.19 44.21 1jbj s LEU 75 CO 0.03 -0.05 0.30 -0.75 -0.29 0.00 0.00 176.35 175.60 1jbj s LYS 76 N 1.26 0.28 0.26 1.98 2.20 -1.02 -2.82 119.74 121.89 1jbj s LYS 76 Ca 0.02 0.23 -0.18 0.00 -0.36 0.00 0.00 55.97 55.68 1jbj s LYS 76 Cb -0.15 -0.80 0.01 0.00 -1.51 0.00 0.00 37.83 35.39 1jbj s LYS 76 CO -0.11 -0.76 0.61 0.00 -0.36 0.00 0.00 175.35 174.74 1jbj s ALA 77 N 2.42 -0.82 -0.06 3.13 0.00 -1.26 -4.02 121.76 121.15 1jbj s ALA 77 Ca 0.10 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 1jbj s ALA 77 Cb -0.15 0.94 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1jbj s ALA 77 CO -0.19 -0.95 -0.03 0.50 0.00 0.00 0.00 175.76 175.09 1jbj s ARG 78 N -3.96 0.79 0.04 0.00 3.52 -1.26 -3.30 118.95 114.79 1jbj s ARG 78 Ca 0.15 -0.02 0.01 0.00 -0.13 0.00 0.00 55.73 55.74 1jbj s ARG 78 Cb -0.04 -0.97 -0.04 0.00 -1.56 0.00 0.00 34.95 32.35 1jbj s ARG 78 CO 0.07 -0.20 0.09 0.14 -0.81 0.00 0.00 175.30 174.59 1jbj s VAL 79 N 1.46 4.66 0.09 7.11 -7.23 -1.23 -5.08 120.40 120.18 1jbj s VAL 79 Ca -0.02 -0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 1jbj s VAL 79 Cb -0.13 -3.20 -0.06 0.00 0.56 0.00 0.00 36.38 33.55 1jbj s VAL 79 CO -0.03 0.23 0.46 -0.83 -0.31 0.00 0.00 175.10 174.62 1jbj s GLY 80 N -2.10 2.41 -0.85 2.32 0.00 -1.26 -4.84 107.32 103.01 1jbj s GLY 80 Ca 0.27 -0.26 -0.22 0.00 0.00 0.00 0.00 44.72 44.51 1jbj s GLY 80 CO 0.19 0.01 2.15 1.44 0.00 0.00 0.00 173.10 176.89 1jbj n SER 81 N 1.03 0.95 -2.27 1.64 7.64 -1.26 -4.43 113.62 116.92 1jbj n SER 81 Ca -0.08 -1.77 -0.27 0.00 1.01 0.00 0.00 58.87 57.76 1jbj n SER 81 Cb 0.52 -1.48 0.02 0.00 -1.01 0.00 0.00 64.21 62.26 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 16.64 5.28 -2.58 -0.43 0.00 -1.26 -4.62 120.51 133.56 1jbj n ALA 82 Ca 0.43 -3.96 -0.08 0.00 0.00 0.00 0.00 53.44 49.83 1jbj n ALA 82 Cb 0.42 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.25 1jbj n ALA 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jbj n ASP 83 N -0.64 2.65 -2.90 0.00 5.68 -1.26 -4.69 116.55 115.39 1jbj n ASP 83 Ca 0.45 -2.59 -0.10 0.00 -0.50 0.00 0.00 54.79 52.05 1jbj n ASP 83 Cb 0.78 -0.44 0.01 0.00 -1.14 0.00 0.00 41.12 40.34 1jbj n ASP 83 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1jbj n ASP 84 N -0.62 -7.79 -3.62 -1.12 8.00 -1.26 -5.03 116.55 105.11 1jbj n ASP 84 Ca 0.19 0.49 -0.29 0.00 0.71 0.00 0.00 54.79 55.88 1jbj n ASP 84 Cb 0.85 -5.13 -0.15 0.00 -0.02 0.00 0.00 41.12 36.67 1jbj n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj s ALA 85 N -2.53 0.99 -0.06 2.24 0.00 -1.26 -4.95 121.76 116.19 1jbj s ALA 85 Ca 0.26 -1.32 0.22 0.00 0.00 0.00 0.00 51.96 51.12 1jbj s ALA 85 Cb -0.07 -1.48 0.39 0.00 0.00 0.00 0.00 23.12 21.96 1jbj s ALA 85 CO 0.78 -1.65 1.15 0.36 0.00 0.00 0.00 175.76 176.40 1jbj n LYS 86 N 5.09 0.34 -1.86 0.00 2.85 -1.26 -4.92 118.16 118.40 1jbj n LYS 86 Ca -0.04 -2.11 -0.37 0.00 -1.05 0.00 0.00 58.31 54.74 1jbj n LYS 86 Cb 0.42 -0.20 0.04 0.00 -0.65 0.00 0.00 35.03 34.64 1jbj n LYS 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1jbj n LYS 87 N 0.18 2.85 -3.24 -1.58 5.02 -1.26 -4.94 118.16 115.19 1jbj n LYS 87 Ca 0.01 -3.61 -0.14 0.00 -2.02 0.00 0.00 58.31 52.55 1jbj n LYS 87 Cb 1.02 -2.27 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 1jbj n LYS 87 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jbj n ASP 88 N -0.62 -6.41 -3.29 4.39 5.75 -1.26 -4.93 116.55 110.18 1jbj n ASP 88 Ca 0.54 0.31 -0.30 0.00 -0.01 0.00 0.00 54.79 55.33 1jbj n ASP 88 Cb 0.40 -2.16 0.29 0.00 -1.03 0.00 0.00 41.12 38.61 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jbj n ALA 89 N 0.64 -4.88 -2.77 2.12 0.00 -1.26 -5.00 120.51 109.35 1jbj n ALA 89 Ca -0.02 -1.89 -0.03 0.00 0.00 0.00 0.00 53.44 51.49 1jbj n ALA 89 Cb 0.52 -1.55 0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -5.75 2.88 -2.75 0.00 0.00 -1.26 -5.08 120.51 108.55 1jbj n ALA 90 Ca 0.13 -2.89 -0.16 0.00 0.00 0.00 0.00 53.44 50.52 1jbj n ALA 90 Cb 0.58 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 1jbj n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jbj s LYS 91 N -3.60 0.51 0.59 0.00 1.02 -1.26 -5.16 119.74 111.84 1jbj s LYS 91 Ca 0.28 -0.28 0.09 0.00 0.02 0.00 0.00 55.97 56.08 1jbj s LYS 91 Cb 0.36 -0.47 0.10 0.00 -0.52 0.00 0.00 37.83 37.30 1jbj s LYS 91 CO -0.02 0.13 0.81 0.36 -0.92 0.00 0.00 175.35 175.71 1jbj n LYS 92 N 2.76 0.58 -2.25 1.68 2.85 -1.26 -5.07 118.16 117.46 1jbj n LYS 92 Ca -0.14 -3.13 -0.01 0.00 -1.05 0.00 0.00 58.31 53.98 1jbj n LYS 92 Cb 0.57 -0.26 0.08 0.00 -0.65 0.00 0.00 35.03 34.78 1jbj n LYS 92 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1jbj n ASP 93 N -2.35 -0.94 -3.65 -5.58 5.68 -1.26 -5.13 116.55 103.32 1jbj n ASP 93 Ca 0.17 -1.77 -0.10 0.00 -0.50 0.00 0.00 54.79 52.58 1jbj n ASP 93 Cb 0.60 0.45 -0.08 0.00 -1.14 0.00 0.00 41.12 40.96 1jbj n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jbj s ASP 94 N -0.71 -0.82 -0.09 -1.12 -1.08 -1.26 -5.16 116.67 106.43 1jbj s ASP 94 Ca 0.06 1.39 -0.06 0.00 -0.52 0.00 0.00 52.55 53.41 1jbj s ASP 94 Cb 0.28 1.31 0.03 0.00 -1.46 0.00 0.00 42.92 43.08 1jbj s ASP 94 CO -0.08 -0.23 0.22 0.00 0.52 0.00 0.00 175.17 175.60 1jbj s ALA 95 N 1.18 -0.53 0.34 3.66 0.00 -1.26 -5.03 121.76 120.12 1jbj s ALA 95 Ca -0.07 0.76 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1jbj s ALA 95 Cb -0.05 -0.46 0.61 0.00 0.00 0.00 0.00 23.12 23.22 1jbj s ALA 95 CO -0.12 -0.14 1.81 0.87 0.00 0.00 0.00 175.76 178.18 1jbj h LYS 96 N 6.41 0.26 0.00 0.00 1.57 -2.09 -3.44 116.57 119.28 1jbj h LYS 96 Ca -0.32 -0.09 -0.35 0.00 -1.87 0.00 0.00 60.65 58.02 1jbj h LYS 96 Cb 1.18 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1jbj h LYS 96 CO 0.38 0.50 -0.07 1.63 -0.57 0.00 0.00 179.45 181.32 1jbj n LYS 97 N -4.16 0.75 -3.11 3.15 5.02 -1.26 -5.15 118.16 113.40 1jbj n LYS 97 Ca -0.01 -2.25 -0.11 0.00 -2.02 0.00 0.00 58.31 53.92 1jbj n LYS 97 Cb 0.37 -0.11 -0.03 0.00 -0.02 0.00 0.00 35.03 35.23 1jbj n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jbj n ASP 98 N -2.43 0.66 -4.56 4.39 8.00 -1.26 -5.05 116.55 116.30 1jbj n ASP 98 Ca 0.10 -2.03 -0.17 0.00 0.71 0.00 0.00 54.79 53.40 1jbj n ASP 98 Cb 0.43 0.58 -0.07 0.00 -0.02 0.00 0.00 41.12 42.03 1jbj n ASP 98 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jbj n ASP 99 N -1.98 1.76 -2.65 -2.24 2.03 -1.26 -4.91 116.55 107.30 1jbj n ASP 99 Ca -0.01 -1.32 -0.09 0.00 0.52 0.00 0.00 54.79 53.89 1jbj n ASP 99 Cb 0.29 -1.61 0.07 0.00 -0.72 0.00 0.00 41.12 39.14 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jbj n ALA 100 N 17.90 -0.63 -2.15 -1.67 0.00 -1.26 -4.29 120.51 128.41 1jbj n ALA 100 Ca 0.46 -0.52 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1jbj n ALA 100 Cb 0.43 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1jbj n ALA 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 101 N -2.05 -1.55 -0.02 0.00 4.76 -1.26 -4.85 118.16 113.19 1jbj n LYS 101 Ca 0.05 1.05 0.11 0.00 -2.87 0.00 0.00 58.31 56.65 1jbj n LYS 101 Cb 0.18 -5.59 0.55 0.00 -1.84 0.00 0.00 35.03 28.33 1jbj n LYS 101 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1jbj n LYS 102 N -2.78 1.31 -0.60 1.97 -0.00 -1.26 -2.28 118.16 114.52 1jbj n LYS 102 Ca -0.23 -0.46 -0.12 0.00 -0.00 0.00 0.00 58.31 57.51 1jbj n LYS 102 Cb 0.68 -1.38 0.08 0.00 -0.00 0.00 0.00 35.03 34.40 1jbj n LYS 102 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jbj n ASP 103 N -0.36 3.73 0.00 -5.58 9.92 -1.26 -4.62 116.55 118.38 1jbj n ASP 103 Ca 0.17 -2.77 0.00 0.00 -0.53 0.00 0.00 54.79 51.66 1jbj n ASP 103 Cb 0.19 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 104 N -0.17 0.99 3.55 0.44 0.00 -1.25 -5.12 105.19 103.62 1jbj n GLY 104 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.92 1.53 -0.31 1.61 0.01 -0.96 -4.95 113.70 108.70 1jbj s SER 105 Ca 0.00 1.53 -0.24 0.00 1.31 0.00 0.00 55.95 58.55 1jbj s SER 105 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1jbj s SER 105 CO 0.00 -3.86 0.83 -1.10 0.41 0.00 0.00 173.24 169.51 1jbj s GLN 106 N -4.58 3.95 -1.01 12.44 1.11 -1.26 -4.14 119.66 126.17 1jbj s GLN 106 Ca 0.67 0.62 -0.09 0.00 0.01 0.00 0.00 55.36 56.57 1jbj s GLN 106 Cb -0.23 -3.74 -0.04 0.00 -1.01 0.00 0.00 33.01 27.99 1jbj s GLN 106 CO 0.62 -0.73 0.83 0.25 0.01 0.00 0.00 175.29 176.28 1jbj n THR 107 N 5.61 -8.18 -2.63 -0.19 -2.24 -1.26 -5.01 114.28 100.37 1jbj n THR 107 Ca 0.05 -0.99 -0.22 0.00 -2.27 0.00 0.00 64.05 60.62 1jbj n THR 107 Cb 0.48 -5.83 0.05 0.00 -2.10 0.00 0.00 70.33 62.93 1jbj n THR 107 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jbj s ASN 108 N -3.32 5.08 -0.54 3.42 4.22 -1.26 -5.07 114.94 117.47 1jbj s ASN 108 Ca 0.36 -0.10 0.06 0.00 -2.14 0.00 0.00 52.86 51.04 1jbj s ASN 108 Cb -0.08 -0.67 0.21 0.00 1.28 0.00 0.00 41.25 42.00 1jbj s ASN 108 CO 0.78 -1.30 0.53 2.29 -2.04 0.00 0.00 177.10 177.37 1jbj n LYS 109 N -2.45 1.33 -2.12 3.55 2.85 -1.26 -4.85 118.16 115.22 1jbj n LYS 109 Ca 0.10 -3.89 -0.01 0.00 -1.05 0.00 0.00 58.31 53.45 1jbj n LYS 109 Cb 0.60 -1.85 0.04 0.00 -0.65 0.00 0.00 35.03 33.17 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jbj n ALA 110 N 1.73 2.90 -2.75 0.58 0.00 -1.26 -4.99 120.51 116.72 1jbj n ALA 110 Ca 0.25 -1.68 -0.07 0.00 0.00 0.00 0.00 53.44 51.95 1jbj n ALA 110 Cb 0.44 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.22 1jbj n ALA 110 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 111 N -0.55 0.69 -3.55 0.00 4.81 -1.26 -5.16 118.16 113.15 1jbj n LYS 111 Ca -0.09 -1.79 -0.23 0.00 -0.87 0.00 0.00 58.31 55.33 1jbj n LYS 111 Cb 0.87 -1.43 0.01 0.00 0.02 0.00 0.00 35.03 34.50 1jbj n LYS 111 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1jbj n ASN 112 N 2.03 2.54 0.16 3.14 3.02 -1.26 -5.05 115.26 119.84 1jbj n ASN 112 Ca 0.11 -2.71 -0.14 0.00 -0.03 0.00 0.00 54.58 51.82 1jbj n ASN 112 Cb 0.61 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.63 1jbj n ASN 112 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1jbj h LEU 113 N 0.00 -0.55 -8.44 3.41 5.85 -2.01 -3.44 115.31 110.13 1jbj h LEU 113 Ca -0.31 0.05 -0.44 0.00 0.84 0.00 0.00 57.88 58.02 1jbj h LEU 113 Cb 1.18 0.19 -0.22 0.00 0.37 0.00 0.00 40.66 42.17 1jbj h LEU 113 CO 0.49 -0.31 -0.79 0.54 -0.34 0.00 0.00 178.44 178.03 1jbj s VAL 114 N -6.10 1.20 0.05 1.05 0.11 -1.26 -4.06 120.40 111.39 1jbj s VAL 114 Ca -0.15 -1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 57.58 1jbj s VAL 114 Cb 0.06 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1jbj s VAL 114 CO 0.65 -0.17 -0.02 -1.10 -3.33 0.00 0.00 175.10 171.13 1jbj s GLN 115 N -1.69 0.61 0.00 1.54 -1.52 -1.08 -5.05 119.66 112.48 1jbj s GLN 115 Ca -0.00 -1.17 0.01 0.00 -1.95 0.00 0.00 55.36 52.24 1jbj s GLN 115 Cb -0.10 0.21 -0.01 0.00 -0.22 0.00 0.00 33.01 32.90 1jbj s GLN 115 CO 0.02 -0.12 -0.03 0.14 -0.25 0.00 0.00 175.29 175.06 1jbj s VAL 116 N -3.79 0.20 0.29 1.09 -7.23 -1.26 0.11 120.40 109.81 1jbj s VAL 116 Ca 0.06 -0.26 -0.02 0.00 -1.81 0.00 0.00 61.98 59.95 1jbj s VAL 116 Cb 0.07 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.76 1jbj s VAL 116 CO -0.10 -0.04 0.51 -1.81 -0.31 0.00 0.00 175.10 173.35 1jbj s ASP 117 N -0.33 6.37 0.00 4.85 1.11 0.37 -4.88 116.67 124.16 1jbj s ASP 117 Ca -0.02 0.52 0.00 0.00 0.18 0.00 0.00 52.55 53.23 1jbj s ASP 117 Cb -0.03 -2.06 0.00 0.00 1.07 0.00 0.00 42.92 41.90 1jbj s ASP 117 CO -0.00 -0.19 0.00 0.61 1.18 0.00 0.00 175.17 176.77 1jbj n GLY 118 N -1.19 0.09 3.09 0.21 0.00 -1.19 -1.93 105.19 104.27 1jbj n GLY 118 Ca -0.04 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1jbj n GLY 118 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jbj n SER 119 N -1.57 4.68 -1.10 1.61 3.41 -1.26 -3.49 113.62 115.91 1jbj n SER 119 Ca 0.00 -3.17 0.08 0.00 -0.26 0.00 0.00 58.87 55.52 1jbj n SER 119 Cb 0.00 -1.11 0.27 0.00 -0.26 0.00 0.00 64.21 63.11 1jbj n SER 119 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jbj n ARG 120 N 2.14 3.31 0.00 4.33 1.74 -1.26 -4.95 116.66 121.97 1jbj n ARG 120 Ca 0.23 -2.69 0.00 0.00 -0.77 0.00 0.00 57.85 54.62 1jbj n ARG 120 Cb 0.37 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 0.26 3.07 0.09 -0.13 0.00 -1.26 -4.73 105.19 102.49 1jbj n GLY 121 Ca 0.21 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.37 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 0.69 0.00 1.61 9.92 -1.26 -4.98 116.55 123.64 1jbj n ASP 122 Ca 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1jbj n ASP 122 Cb 0.00 0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 123 N 1.37 1.28 3.80 0.44 0.00 -1.26 -5.03 105.19 105.79 1jbj n GLY 123 Ca -0.09 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.11 7.20 -0.25 1.61 0.01 -1.23 -2.27 113.70 116.66 1jbj s SER 124 Ca 0.00 1.47 -0.09 0.00 1.31 0.00 0.00 55.95 58.64 1jbj s SER 124 Cb 0.00 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1jbj s SER 124 CO 0.00 0.17 0.12 -0.69 0.41 0.00 0.00 173.24 173.25 1jbj s VAL 125 N -1.26 4.85 -0.31 3.43 1.01 0.26 -3.17 120.40 125.21 1jbj s VAL 125 Ca 0.36 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1jbj s VAL 125 Cb -0.20 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 33.00 1jbj s VAL 125 CO 0.23 0.33 0.04 -0.76 0.00 0.00 0.00 175.10 174.93 1jbj s LEU 126 N 1.38 3.58 -0.24 3.92 1.02 -0.81 -2.38 118.68 125.14 1jbj s LEU 126 Ca 0.06 -1.79 -0.29 0.00 0.02 0.00 0.00 54.13 52.13 1jbj s LEU 126 Cb -0.15 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.74 1jbj s LEU 126 CO 0.06 -0.35 1.18 -0.22 0.02 0.00 0.00 176.35 177.04 1jbj s LEU 127 N 1.20 4.04 -0.05 1.79 0.20 -0.35 0.14 118.68 125.65 1jbj s LEU 127 Ca 0.06 1.37 -0.03 0.00 0.69 0.00 0.00 54.13 56.23 1jbj s LEU 127 Cb -0.19 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 1jbj s LEU 127 CO -0.12 -0.84 0.10 0.42 -0.29 0.00 0.00 176.35 175.62 1jbj s THR 128 N 3.67 5.01 0.00 3.68 -4.23 0.31 0.22 115.64 124.29 1jbj s THR 128 Ca 0.51 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1jbj s THR 128 Cb -0.17 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1jbj s THR 128 CO 0.15 0.46 0.00 0.00 -0.54 0.00 0.00 174.62 174.69 1jbj n GLY 130 N 0.00 1.90 3.96 0.00 0.00 -1.26 -4.18 105.19 105.60 1jbj n GLY 130 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -1.08 -1.40 0.99 -0.00 -1.26 -0.38 117.00 113.87 1jbj n LEU 131 Ca 0.00 -1.21 -0.15 0.00 -0.00 0.00 0.00 56.01 54.65 1jbj n LEU 131 Cb 0.00 -1.87 -0.04 0.00 -0.00 0.00 0.00 43.42 41.51 1jbj n LEU 131 CO 0.00 0.70 -0.16 0.35 -0.00 0.00 0.00 177.39 178.28 1jbj n THR 132 N -4.78 -0.33 -2.94 1.47 -2.24 -1.26 -4.98 114.28 99.21 1jbj n THR 132 Ca -0.11 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 1jbj n THR 132 Cb 0.57 -1.89 -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 -2.60 7.41 0.28 3.42 1.01 0.49 -4.93 116.67 121.74 1jbj s ASP 133 Ca 0.00 1.69 0.24 0.00 0.71 0.00 0.00 52.55 55.19 1jbj s ASP 133 Cb 0.00 -2.52 1.01 0.00 1.01 0.00 0.00 42.92 42.42 1jbj s ASP 133 CO 0.00 0.17 1.73 1.17 0.21 0.00 0.00 175.17 178.45 1jbj n LYS 134 N 1.45 0.21 -4.25 8.23 4.81 -1.26 -4.57 118.16 122.78 1jbj n LYS 134 Ca -0.04 0.43 -0.21 0.00 -0.87 0.00 0.00 58.31 57.62 1jbj n LYS 134 Cb 0.49 -1.90 -0.16 0.00 0.02 0.00 0.00 35.03 33.47 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1jbj s THR 135 N -3.34 0.65 0.01 3.15 2.01 -1.26 -5.09 115.64 111.76 1jbj s THR 135 Ca 0.04 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1jbj s THR 135 Cb 0.09 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 1jbj s THR 135 CO 0.40 0.24 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.93 1jbj s ILE 136 N 0.80 0.08 -0.20 1.82 1.01 -1.26 -2.86 121.20 120.58 1jbj s ILE 136 Ca -0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 1jbj s ILE 136 Cb -0.14 -0.13 0.07 0.00 0.01 0.00 0.00 42.46 42.27 1jbj s ILE 136 CO 0.01 -0.14 0.10 -0.75 0.00 0.00 0.00 174.94 174.15 1jbj s LYS 137 N -0.47 0.11 0.21 2.79 2.36 -0.83 -4.97 119.74 118.94 1jbj s LYS 137 Ca -0.05 -0.20 -0.17 0.00 -2.55 0.00 0.00 55.97 53.00 1jbj s LYS 137 Cb -0.03 -1.68 -0.08 0.00 -1.05 0.00 0.00 37.83 34.99 1jbj s LYS 137 CO -0.00 -0.76 0.66 -0.46 1.55 0.00 0.00 175.35 176.34 1jbj s TRP 138 N 2.12 3.60 0.22 4.03 -0.11 -1.26 -0.60 118.94 126.93 1jbj s TRP 138 Ca 0.04 1.24 0.03 0.00 1.22 0.00 0.00 56.10 58.63 1jbj s TRP 138 Cb -0.16 -2.51 -0.05 0.00 -1.50 0.00 0.00 33.47 29.25 1jbj s TRP 138 CO -0.16 0.34 -0.01 -0.51 -4.62 0.00 0.00 176.95 171.99 1jbj s LEU 139 N -2.11 2.19 -0.08 5.86 1.02 0.27 -2.57 118.68 123.25 1jbj s LEU 139 Ca 0.43 -1.20 -0.02 0.00 0.02 0.00 0.00 54.13 53.36 1jbj s LEU 139 Cb -0.15 -0.24 0.04 0.00 0.02 0.00 0.00 46.19 45.86 1jbj s LEU 139 CO 0.20 -0.51 0.04 -0.75 0.02 0.00 0.00 176.35 175.34 1jbj s LYS 140 N -3.87 0.30 -0.50 1.70 2.20 0.37 -2.01 119.74 117.94 1jbj s LYS 140 Ca 0.27 0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 56.00 1jbj s LYS 140 Cb 0.05 -1.03 0.01 0.00 -1.51 0.00 0.00 37.83 35.36 1jbj s LYS 140 CO 0.07 -0.39 0.05 -0.40 -0.36 0.00 0.00 175.35 174.32 1jbj n ASP 141 N 5.21 -2.20 0.00 1.43 5.68 -1.26 0.12 116.55 125.52 1jbj n ASP 141 Ca -0.06 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1jbj n ASP 141 Cb 0.50 -1.95 0.00 0.00 -1.14 0.00 0.00 41.12 38.52 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 -0.66 0.93 3.04 6.12 0.00 -1.26 -5.08 105.19 108.27 1jbj n GLY 142 Ca -0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.37 1.77 0.03 1.61 0.15 0.32 -5.11 113.70 110.09 1jbj s SER 143 Ca 0.00 -0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1jbj s SER 143 Cb 0.00 -0.72 -0.06 0.00 -1.71 0.00 0.00 66.02 63.53 1jbj s SER 143 CO 0.00 0.06 1.38 -0.63 1.20 0.00 0.00 173.24 175.25 1jbj s ILE 144 N 0.48 3.65 -0.23 6.45 1.09 -1.26 0.14 121.20 131.53 1jbj s ILE 144 Ca -0.11 1.09 -0.04 0.00 -1.10 0.00 0.00 60.65 60.49 1jbj s ILE 144 Cb -0.14 -3.70 0.08 0.00 -1.06 0.00 0.00 42.46 37.64 1jbj s ILE 144 CO 0.03 0.02 0.10 -0.51 -0.10 0.00 0.00 174.94 174.48 1jbj s ILE 145 N 2.00 0.05 0.14 2.92 2.07 -1.06 -4.90 121.20 122.41 1jbj s ILE 145 Ca 0.64 -0.51 0.08 0.00 -1.41 0.00 0.00 60.65 59.45 1jbj s ILE 145 Cb -0.32 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.38 1jbj s ILE 145 CO 0.28 -0.46 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.21 1jbj s SER 146 N 2.06 2.62 0.42 4.50 0.01 -1.26 -4.47 113.70 117.57 1jbj s SER 146 Ca 0.05 -0.79 -0.06 0.00 1.31 0.00 0.00 55.95 56.46 1jbj s SER 146 Cb -0.16 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1jbj s SER 146 CO -0.20 0.00 0.72 -2.16 0.41 0.00 0.00 173.24 172.01 1jbj s PRO 147 N -2.42 3.60 -0.19 12.44 0.04 -1.26 -5.02 135.00 142.20 1jbj s PRO 147 Ca 0.12 0.16 0.13 0.00 0.04 0.00 0.00 61.00 61.45 1jbj s PRO 147 Cb -0.07 -2.46 0.39 0.00 0.04 0.00 0.00 34.50 32.39 1jbj s PRO 147 CO 0.06 -0.05 1.20 -0.11 0.04 0.00 0.00 177.00 178.13 1jbj n LEU 148 N -1.77 2.58 -0.81 -3.56 -0.00 -1.26 -4.60 117.00 107.59 1jbj n LEU 148 Ca -0.00 -3.66 -0.04 0.00 -0.00 0.00 0.00 56.01 52.31 1jbj n LEU 148 Cb 0.55 -0.49 -0.04 0.00 -0.00 0.00 0.00 43.42 43.43 1jbj n LEU 148 CO 0.51 1.21 0.30 -3.20 -0.00 0.00 0.00 177.39 176.21 1jbj n ASN 149 N -1.17 -0.52 -3.54 1.96 5.15 -1.26 -5.13 115.26 110.74 1jbj n ASN 149 Ca 0.18 -1.61 -0.12 0.00 -0.60 0.00 0.00 54.58 52.42 1jbj n ASN 149 Cb 0.68 0.15 -0.05 0.00 -0.53 0.00 0.00 39.78 40.04 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jbj s ALA 150 N 0.00 -1.86 -0.04 5.20 0.00 -1.26 -5.07 121.76 118.74 1jbj s ALA 150 Ca 0.01 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.37 1jbj s ALA 150 Cb 0.01 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1jbj s ALA 150 CO -0.01 -0.40 0.56 -2.37 0.00 0.00 0.00 175.76 173.54 1jbj n THR 151 N 0.60 0.00 -1.75 0.00 5.66 -1.26 -4.75 114.28 112.78 1jbj n THR 151 Ca -0.13 -0.11 -0.34 0.00 -3.05 0.00 0.00 64.05 60.43 1jbj n THR 151 Cb 0.58 0.34 -0.01 0.00 -1.55 0.00 0.00 70.33 69.69 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 -0.16 2.86 -1.57 1.09 2.85 -1.26 -4.73 118.16 117.23 1jbj n LYS 152 Ca -0.11 -3.00 -0.15 0.00 -1.05 0.00 0.00 58.31 54.01 1jbj n LYS 152 Cb 0.50 -2.24 -0.05 0.00 -0.65 0.00 0.00 35.03 32.58 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 0.35 -3.92 -4.72 -5.58 0.23 -1.26 -4.92 115.26 95.44 1jbj n ASN 153 Ca 0.52 0.33 -0.30 0.00 -0.53 0.00 0.00 54.58 54.59 1jbj n ASN 153 Cb 0.39 -3.56 -0.08 0.00 -2.08 0.00 0.00 39.78 34.45 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 -2.31 1.61 -0.02 5.53 -4.23 -1.26 -2.13 115.64 112.84 1jbj s THR 154 Ca 0.00 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1jbj s THR 154 Cb 0.00 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.30 1jbj s THR 154 CO 0.00 0.00 -0.06 0.86 -0.54 0.00 0.00 174.62 174.88 1jbj s TRP 155 N -2.78 0.68 -0.49 3.99 -0.00 0.59 -4.77 118.94 116.15 1jbj s TRP 155 Ca 0.22 -0.15 -0.29 0.00 -0.00 0.00 0.00 56.10 55.88 1jbj s TRP 155 Cb 0.05 -0.51 0.03 0.00 -0.00 0.00 0.00 33.47 33.04 1jbj s TRP 155 CO 0.12 -0.08 1.15 1.21 -0.00 0.00 0.00 176.95 179.34 1jbj s ASN 156 N 0.25 6.61 -0.23 5.86 3.84 -1.26 -1.21 114.94 128.80 1jbj s ASN 156 Ca -0.03 0.43 -0.14 0.00 0.21 0.00 0.00 52.86 53.32 1jbj s ASN 156 Cb -0.07 -2.55 -0.09 0.00 -0.55 0.00 0.00 41.25 37.98 1jbj s ASN 156 CO -0.00 -1.28 -0.33 0.18 -2.79 0.00 0.00 177.10 172.87 1jbj n LEU 157 N 7.92 1.85 0.00 3.21 4.77 -1.00 -5.00 117.00 128.75 1jbj n LEU 157 Ca 0.12 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1jbj n LEU 157 Cb 0.49 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1jbj n LEU 157 CO 0.72 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1jbj n GLY 158 N 1.44 0.53 3.44 -0.72 0.00 -1.23 -4.12 105.19 104.53 1jbj n GLY 158 Ca -0.38 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 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 5.18 0.52 1.61 3.84 -1.26 0.89 114.94 121.72 1jbj s ASN 159 Ca 0.00 -0.28 0.43 0.00 0.21 0.00 0.00 52.86 53.22 1jbj s ASN 159 Cb 0.00 -1.93 1.63 0.00 -0.55 0.00 0.00 41.25 40.40 1jbj s ASN 159 CO 0.00 -0.06 1.60 0.78 -2.79 0.00 0.00 177.10 176.63 1jbj h ASN 160 N 8.25 0.08 -0.65 -4.21 2.35 -1.77 1.18 115.58 120.82 1jbj h ASN 160 Ca -0.37 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.50 1jbj h ASN 160 Cb 1.17 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 1jbj h ASN 160 CO 0.58 -0.08 0.43 0.00 -1.65 0.00 0.00 177.43 176.72 1jbj h ALA 161 N 1.24 1.80 0.00 -0.83 0.00 -1.93 -3.35 119.26 116.20 1jbj h ALA 161 Ca 0.88 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.55 1jbj h ALA 161 Cb 3.29 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 20.78 1jbj h ALA 161 CO -0.16 0.09 -0.34 1.17 0.00 0.00 0.00 179.25 180.01 1jbj n LYS 162 N -4.48 1.11 -3.10 0.00 4.81 0.34 -4.96 118.16 111.88 1jbj n LYS 162 Ca 0.09 -1.79 -0.23 0.00 -0.87 0.00 0.00 58.31 55.51 1jbj n LYS 162 Cb 0.25 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1jbj s ASP 163 N -1.16 6.01 1.14 3.14 -4.77 0.23 -4.65 116.67 116.62 1jbj s ASP 163 Ca 0.21 0.37 -0.15 0.00 -3.30 0.00 0.00 52.55 49.68 1jbj s ASP 163 Cb 0.36 -1.73 0.24 0.00 -1.09 0.00 0.00 42.92 40.70 1jbj s ASP 163 CO -0.08 -0.55 0.54 -2.65 0.70 0.00 0.00 175.17 173.13 1jbj n PRO 164 N -1.98 -2.67 -3.61 2.11 -0.02 -1.26 -4.45 135.00 123.11 1jbj n PRO 164 Ca -0.01 -0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 60.43 1jbj n PRO 164 Cb 0.57 -1.43 -0.07 0.00 -0.02 0.00 0.00 33.50 32.55 1jbj n PRO 164 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1jbj s ARG 165 N -3.93 0.78 0.00 -0.52 3.00 -1.26 -4.57 118.95 112.46 1jbj s ARG 165 Ca 0.42 0.71 0.00 0.00 -1.00 0.00 0.00 55.73 55.86 1jbj s ARG 165 Cb -0.07 0.38 0.00 0.00 0.00 0.00 0.00 34.95 35.25 1jbj s ARG 165 CO 0.35 -0.14 0.00 0.41 0.00 0.00 0.00 175.30 175.92 1jbj n GLY 166 N 2.11 -0.11 3.42 8.12 0.00 -1.05 -5.01 105.19 112.67 1jbj n GLY 166 Ca -0.14 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 1jbj n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jbj s THR 167 N -4.00 2.66 -0.06 2.61 -4.23 -1.26 -0.94 115.64 110.42 1jbj s THR 167 Ca 0.00 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1jbj s THR 167 Cb 0.00 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.84 1jbj s THR 167 CO 0.00 0.51 0.01 -0.31 -0.54 0.00 0.00 174.62 174.29 1jbj s TYR 168 N -0.75 0.46 -0.13 3.99 1.51 -0.06 -4.50 117.35 117.87 1jbj s TYR 168 Ca 0.12 -0.03 -0.06 0.00 -1.01 0.00 0.00 57.07 56.08 1jbj s TYR 168 Cb -0.10 -0.65 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1jbj s TYR 168 CO 0.01 -0.26 0.11 1.14 -1.11 0.00 0.00 175.55 175.45 1jbj s GLN 169 N 1.84 3.46 0.25 -0.62 -2.07 -0.85 0.14 119.66 121.81 1jbj s GLN 169 Ca 0.02 -0.20 0.10 0.00 -1.82 0.00 0.00 55.36 53.46 1jbj s GLN 169 Cb -0.12 -3.14 -0.04 0.00 -1.09 0.00 0.00 33.01 28.61 1jbj s GLN 169 CO -0.04 0.69 -0.07 0.00 -1.32 0.00 0.00 175.29 174.55 1jbj s GLN 171 N -3.45 1.02 0.48 0.00 -0.44 0.23 -0.69 119.66 116.82 1jbj s GLN 171 Ca 0.30 -0.71 -0.07 0.00 -2.50 0.00 0.00 55.36 52.38 1jbj s GLN 171 Cb -0.07 -2.29 -0.04 0.00 -1.64 0.00 0.00 33.01 28.98 1jbj s GLN 171 CO 0.18 -0.67 0.81 0.20 0.50 0.00 0.00 175.29 176.31 1jbj s GLY 172 N 1.65 1.58 0.12 2.59 0.00 0.64 -1.97 107.32 111.94 1jbj s GLY 172 Ca -0.02 -0.42 -0.24 0.00 0.00 0.00 0.00 44.72 44.05 1jbj s GLY 172 CO -0.09 -0.24 1.26 0.00 0.00 0.00 0.00 173.10 174.03 1jbj n ALA 173 N -2.16 -0.49 -0.31 3.20 0.00 -1.14 -2.00 120.51 117.61 1jbj n ALA 173 Ca 0.01 0.65 0.03 0.00 0.00 0.00 0.00 53.44 54.14 1jbj n ALA 173 Cb 0.55 -0.07 0.06 0.00 0.00 0.00 0.00 19.45 19.99 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 -4.85 2.57 -4.27 0.00 4.81 -1.26 -5.03 118.16 110.12 1jbj n LYS 174 Ca 0.02 -1.86 -0.15 0.00 -0.87 0.00 0.00 58.31 55.45 1jbj n LYS 174 Cb 0.20 -1.17 -0.10 0.00 0.02 0.00 0.00 35.03 33.97 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1jbj s GLU 175 N -1.52 1.28 -0.18 1.64 0.41 -0.85 -5.15 118.70 114.33 1jbj s GLU 175 Ca 0.11 -1.67 -0.04 0.00 -0.41 0.00 0.00 54.97 52.96 1jbj s GLU 175 Cb 0.09 -0.16 0.08 0.00 -1.78 0.00 0.00 34.13 32.36 1jbj s GLU 175 CO 0.02 -0.27 0.17 0.99 -0.49 0.00 0.00 175.26 175.69 1jbj s THR 176 N -3.80 -0.24 0.43 3.63 2.01 -1.26 0.23 115.64 116.64 1jbj s THR 176 Ca 0.34 -0.10 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 1jbj s THR 176 Cb 0.07 -0.62 -0.08 0.00 0.01 0.00 0.00 72.50 71.88 1jbj s THR 176 CO 0.10 -0.21 1.11 -0.55 -0.69 0.00 0.00 174.62 174.39 1jbj s SER 177 N 2.26 6.46 0.51 3.53 0.15 0.14 -4.91 113.70 121.83 1jbj s SER 177 Ca 0.05 2.17 -0.11 0.00 0.70 0.00 0.00 55.95 58.77 1jbj s SER 177 Cb -0.16 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.51 1jbj s SER 177 CO -0.11 -0.71 0.90 0.54 1.20 0.00 0.00 173.24 175.06 1jbj s ASN 178 N -1.46 6.39 -0.38 5.45 4.22 -1.26 -2.69 114.94 125.21 1jbj s ASN 178 Ca 0.61 1.26 -0.35 0.00 -2.14 0.00 0.00 52.86 52.24 1jbj s ASN 178 Cb -0.25 -2.39 -0.12 0.00 1.28 0.00 0.00 41.25 39.77 1jbj s ASN 178 CO 0.31 -0.62 2.22 -2.65 -2.04 0.00 0.00 177.10 174.32 1jbj n PRO 179 N -2.02 1.00 -2.74 3.55 -0.02 -1.26 -4.49 135.00 129.03 1jbj n PRO 179 Ca 0.04 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1jbj n PRO 179 Cb 0.54 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 7.54 4.14 -0.91 2.45 2.96 0.37 -4.60 118.68 130.63 1jbj s LEU 180 Ca 1.10 1.32 -0.21 0.00 -0.22 0.00 0.00 54.13 56.12 1jbj s LEU 180 Cb -0.86 -3.43 0.09 0.00 0.50 0.00 0.00 46.19 42.49 1jbj s LEU 180 CO 0.49 -0.56 1.21 -1.58 -1.32 0.00 0.00 176.35 174.59 1jbj s GLN 181 N 2.73 3.52 -0.50 1.98 2.00 -1.26 -0.88 119.66 127.25 1jbj s GLN 181 Ca 0.42 -1.39 -0.21 0.00 -2.00 0.00 0.00 55.36 52.18 1jbj s GLN 181 Cb -0.16 -4.93 0.04 0.00 0.80 0.00 0.00 33.01 28.76 1jbj s GLN 181 CO 0.10 -1.93 0.74 0.08 -0.50 0.00 0.00 175.29 173.78 1jbj s VAL 182 N 3.67 4.70 -0.25 1.34 1.01 -0.12 -0.82 120.40 129.94 1jbj s VAL 182 Ca 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1jbj s VAL 182 Cb -0.05 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1jbj s VAL 182 CO -0.06 -0.85 -0.04 -0.47 0.00 0.00 0.00 175.10 173.68 1jbj s TYR 183 N 3.12 3.04 -0.00 5.22 6.14 -1.00 -2.54 117.35 131.34 1jbj s TYR 183 Ca 0.23 -1.27 -0.02 0.00 0.64 0.00 0.00 57.07 56.64 1jbj s TYR 183 Cb -0.15 -2.10 -0.01 0.00 0.42 0.00 0.00 41.96 40.11 1jbj s TYR 183 CO 0.17 -0.65 -0.04 0.66 0.64 0.00 0.00 175.55 176.32 1jbj n TYR 184 N 4.74 0.00 -2.33 4.97 4.01 -1.26 -2.42 117.16 124.87 1jbj n TYR 184 Ca -0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.56 1jbj n TYR 184 Cb 0.48 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.44 1jbj n TYR 184 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jbj n ARG 185 N -3.30 0.33 -0.56 -0.72 5.12 -1.26 -4.60 116.66 111.67 1jbj n ARG 185 Ca -0.05 -0.37 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 1jbj n ARG 185 Cb 0.39 0.23 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 1jbj n ARG 185 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58