#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxb s MET 2 N 0.00 0.56 0.99 -0.41 1.00 -1.26 -5.16 119.30 115.02 2jxb s MET 2 Ca 0.00 1.08 -0.11 0.00 0.00 0.00 0.00 55.69 56.65 2jxb s MET 2 Cb 0.00 0.15 0.18 0.00 0.00 0.00 0.00 34.83 35.16 2jxb s MET 2 CO 0.00 -0.16 1.09 -1.59 0.00 0.00 0.00 175.02 174.36 2jxb s LYS 3 N 1.70 0.48 -0.52 2.03 -2.85 -1.26 -4.97 119.74 114.35 2jxb s LYS 3 Ca -0.09 1.12 -0.15 0.00 -1.00 0.00 0.00 55.97 55.85 2jxb s LYS 3 Cb -0.07 -1.70 0.12 0.00 -2.06 0.00 0.00 37.83 34.12 2jxb s LYS 3 CO -0.17 -2.86 0.47 -1.21 0.10 0.00 0.00 175.35 171.68 2jxb s GLU 4 N -4.67 2.95 0.13 1.78 2.02 -1.26 -5.03 118.70 114.63 2jxb s GLU 4 Ca 0.66 -1.64 -0.15 0.00 0.02 0.00 0.00 54.97 53.86 2jxb s GLU 4 Cb -0.22 -4.24 0.03 0.00 0.10 0.00 0.00 34.13 29.80 2jxb s GLU 4 CO 0.60 -1.26 0.39 1.03 0.02 0.00 0.00 175.26 176.04 2jxb s ARG 5 N 1.59 1.08 0.96 1.61 0.52 -1.26 -5.17 118.95 118.28 2jxb s ARG 5 Ca 0.03 -0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 2jxb s ARG 5 Cb -0.29 0.46 0.17 0.00 0.52 0.00 0.00 34.95 35.81 2jxb s ARG 5 CO 0.04 -0.42 1.09 -1.25 0.02 0.00 0.00 175.30 174.78 2jxb s PRO 6 N -3.82 0.73 0.97 3.54 0.04 -1.26 -5.04 135.00 130.16 2jxb s PRO 6 Ca 0.04 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 2jxb s PRO 6 Cb 0.02 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.97 2jxb s PRO 6 CO -0.11 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.22 2jxb s PRO 7 N -4.95 0.66 1.21 0.56 0.04 -1.26 -5.05 135.00 126.21 2jxb s PRO 7 Ca 0.65 0.61 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 2jxb s PRO 7 Cb -0.18 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.89 2jxb s PRO 7 CO 0.57 -2.60 1.11 -1.25 0.04 0.00 0.00 177.00 174.88 2jxb s PRO 8 N -4.95 -1.30 0.46 0.56 0.04 -1.26 -4.96 135.00 123.58 2jxb s PRO 8 Ca 0.65 -0.09 -0.24 0.00 0.04 0.00 0.00 61.00 61.36 2jxb s PRO 8 Cb -0.18 -1.59 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2jxb s PRO 8 CO 0.57 -3.76 1.17 1.33 0.04 0.00 0.00 177.00 176.36 2jxb n VAL 9 N -4.79 2.82 -1.32 -0.36 0.24 -1.26 -4.81 118.33 108.86 2jxb n VAL 9 Ca 0.13 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.53 2jxb n VAL 9 Cb 0.60 -1.41 -0.06 0.00 -1.47 0.00 0.00 33.84 31.49 2jxb n VAL 9 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jxb n PRO 10 N -0.19 1.43 -3.19 7.34 -0.04 -1.26 -4.53 135.00 134.56 2jxb n PRO 10 Ca 0.09 -1.93 -0.22 0.00 -0.04 0.00 0.00 63.50 61.39 2jxb n PRO 10 Cb 0.41 -3.08 0.02 0.00 -0.04 0.00 0.00 33.50 30.82 2jxb n PRO 10 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jxb n ASN 11 N 9.14 -5.45 -4.74 3.54 0.23 -1.26 -4.83 115.26 111.88 2jxb n ASN 11 Ca 0.48 0.05 -0.41 0.00 -0.53 0.00 0.00 54.58 54.18 2jxb n ASN 11 Cb 0.42 -1.46 -0.03 0.00 -2.08 0.00 0.00 39.78 36.63 2jxb n ASN 11 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2jxb s PRO 12 N -1.73 4.41 -0.44 -0.53 0.04 -1.26 -4.96 135.00 130.53 2jxb s PRO 12 Ca 0.22 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.40 2jxb s PRO 12 Cb -0.02 -3.18 0.36 0.00 0.04 0.00 0.00 34.50 31.70 2jxb s PRO 12 CO 0.49 -0.19 0.85 -0.25 0.04 0.00 0.00 177.00 177.94 2jxb n ASP 13 N 2.19 2.41 -0.00 6.66 8.00 -1.26 -4.80 116.55 129.76 2jxb n ASP 13 Ca 0.04 -3.27 0.05 0.00 0.71 0.00 0.00 54.79 52.32 2jxb n ASP 13 Cb 0.43 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxb n TYR 14 N 0.02 0.00 -3.64 1.24 0.18 -1.26 -5.03 117.16 108.66 2jxb n TYR 14 Ca 0.27 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 60.02 2jxb n TYR 14 Cb 0.58 -0.02 -0.06 0.00 -0.38 0.00 0.00 39.34 39.46 2jxb n TYR 14 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2jxb s ASN 15 N -2.01 -0.07 0.00 9.48 3.04 -1.26 -5.08 114.94 119.04 2jxb s ASN 15 Ca 0.03 0.12 0.00 0.00 0.04 0.00 0.00 52.86 53.05 2jxb s ASN 15 Cb 0.07 0.12 0.00 0.00 -1.54 0.00 0.00 41.25 39.90 2jxb s ASN 15 CO 0.40 -0.04 0.00 -1.20 -3.04 0.00 0.00 177.10 173.22 2jxb n SER 16 N 1.27 0.00 -4.81 -4.21 7.64 -1.26 -5.12 113.62 107.13 2jxb n SER 16 Ca -0.07 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.50 2jxb n SER 16 Cb 0.57 0.33 0.08 0.00 -1.01 0.00 0.00 64.21 64.18 2jxb n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jxb s LEU 17 N -4.30 2.75 -0.02 -3.43 2.01 -1.26 -5.00 118.68 109.43 2jxb s LEU 17 Ca 0.00 1.38 -0.24 0.00 0.01 0.00 0.00 54.13 55.28 2jxb s LEU 17 Cb 0.00 -4.07 -0.17 0.00 0.01 0.00 0.00 46.19 41.96 2jxb s LEU 17 CO 0.00 -1.80 1.12 0.11 1.01 0.00 0.00 176.35 176.79 2jxb h LYS 18 N -0.97 -0.23 -6.69 1.70 1.57 -2.06 -3.44 116.57 106.46 2jxb h LYS 18 Ca -0.46 0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 57.81 2jxb h LYS 18 Cb 1.25 0.05 0.05 0.00 0.08 0.00 0.00 32.23 33.66 2jxb h LYS 18 CO 0.59 0.17 0.76 0.21 -0.57 0.00 0.00 179.45 180.62 2jxb s LYS 19 N -4.13 4.28 0.48 3.15 2.36 -1.26 -5.02 119.74 119.60 2jxb s LYS 19 Ca -0.14 2.26 0.02 0.00 -2.55 0.00 0.00 55.97 55.56 2jxb s LYS 19 Cb 0.01 -3.14 0.01 0.00 -1.05 0.00 0.00 37.83 33.67 2jxb s LYS 19 CO 0.55 -0.43 0.68 0.20 1.55 0.00 0.00 175.35 177.90 2jxb s GLY 20 N 0.57 1.74 0.00 5.54 0.00 -1.26 -5.00 107.32 108.90 2jxb s GLY 20 Ca 0.61 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2jxb s GLY 20 CO 0.39 -1.08 0.00 1.44 0.00 0.00 0.00 173.10 173.85 2jxb n SER 21 N -2.12 0.00 -2.66 1.64 7.64 -1.26 -5.11 113.62 111.74 2jxb n SER 21 Ca 0.05 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.89 2jxb n SER 21 Cb 0.59 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 2jxb n SER 21 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jxb n LEU 22 N -1.99 -6.59 -2.63 -3.43 7.94 -1.26 -4.99 117.00 104.05 2jxb n LEU 22 Ca 0.00 2.02 -0.08 0.00 -1.11 0.00 0.00 56.01 56.83 2jxb n LEU 22 Cb 0.00 -3.23 0.04 0.00 0.53 0.00 0.00 43.42 40.76 2jxb n LEU 22 CO 0.00 -3.78 0.02 1.33 -1.11 0.00 0.00 177.39 173.85 2jxb n VAL 23 N 1.47 1.52 -2.56 1.96 0.24 -1.26 -5.06 118.33 114.64 2jxb n VAL 23 Ca -0.29 -3.33 -0.43 0.00 -2.04 0.00 0.00 64.34 58.25 2jxb n VAL 23 Cb 0.46 0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 33.36 2jxb n VAL 23 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jxb s LYS 24 N -3.61 3.79 -0.32 7.34 2.20 -1.26 -4.78 119.74 123.11 2jxb s LYS 24 Ca 0.33 0.79 0.03 0.00 -0.36 0.00 0.00 55.97 56.76 2jxb s LYS 24 Cb 0.37 -3.88 0.24 0.00 -1.51 0.00 0.00 37.83 33.05 2jxb s LYS 24 CO -0.02 -1.28 1.30 0.27 -0.36 0.00 0.00 175.35 175.26 2jxb n ASN 25 N 7.75 -1.15 -3.84 1.43 0.23 -1.26 -5.16 115.26 113.26 2jxb n ASN 25 Ca 0.13 -1.73 -0.12 0.00 -0.53 0.00 0.00 54.58 52.33 2jxb n ASN 25 Cb 0.48 1.08 -0.10 0.00 -2.08 0.00 0.00 39.78 39.16 2jxb n ASN 25 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2jxb s LEU 26 N -1.47 1.35 0.46 -4.53 1.02 -1.26 -5.16 118.68 109.08 2jxb s LEU 26 Ca 0.15 -0.06 -0.15 0.00 0.02 0.00 0.00 54.13 54.09 2jxb s LEU 26 Cb 0.22 0.81 -0.08 0.00 0.02 0.00 0.00 46.19 47.16 2jxb s LEU 26 CO -0.15 -0.35 0.90 -1.38 0.02 0.00 0.00 176.35 175.39 2jxb s HIS 27 N -1.17 3.44 -0.07 0.29 -3.43 -1.26 -5.08 115.29 108.01 2jxb s HIS 27 Ca -0.12 1.33 -0.03 0.00 -0.80 0.00 0.00 55.06 55.44 2jxb s HIS 27 Cb -0.06 -2.67 0.04 0.00 -1.43 0.00 0.00 32.58 28.46 2jxb s HIS 27 CO 0.02 -0.23 0.15 -1.64 -2.00 0.00 0.00 174.74 171.05 2jxb s MET 28 N -3.83 0.07 -0.28 -0.38 -1.94 -1.26 -5.13 119.30 106.55 2jxb s MET 28 Ca 0.56 0.45 -0.02 0.00 -1.71 0.00 0.00 55.69 54.97 2jxb s MET 28 Cb -0.10 -0.21 0.04 0.00 2.01 0.00 0.00 34.83 36.57 2jxb s MET 28 CO 0.28 -0.22 -0.01 0.95 -0.01 0.00 0.00 175.02 176.01 2jxb s THR 29 N 1.59 3.00 -0.29 2.05 -4.23 -1.26 -5.06 115.64 111.43 2jxb s THR 29 Ca -0.05 -1.25 -0.28 0.00 -1.18 0.00 0.00 61.69 58.94 2jxb s THR 29 Cb -0.12 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.26 2jxb s THR 29 CO -0.06 -0.01 1.40 -1.61 -0.54 0.00 0.00 174.62 173.80 2jxb s GLU 30 N 1.29 0.04 -0.54 3.99 2.02 -1.26 -5.09 118.70 119.14 2jxb s GLU 30 Ca -0.03 0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.04 2jxb s GLU 30 Cb -0.19 0.02 0.25 0.00 0.10 0.00 0.00 34.13 34.32 2jxb s GLU 30 CO -0.02 -0.01 0.67 0.39 0.02 0.00 0.00 175.26 176.31 2jxb n GLU 31 N 0.80 1.84 -4.23 1.61 4.71 -1.26 -5.02 120.64 119.10 2jxb n GLU 31 Ca -0.03 -4.12 -0.25 0.00 -0.01 0.00 0.00 57.16 52.76 2jxb n GLU 31 Cb 0.58 -1.86 -0.07 0.00 -1.01 0.00 0.00 31.44 29.08 2jxb n GLU 31 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2jxb s VAL 32 N -2.03 3.70 -0.01 2.62 1.01 -1.26 -5.03 120.40 119.39 2jxb s VAL 32 Ca 0.38 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.78 2jxb s VAL 32 Cb 0.16 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2jxb s VAL 32 CO -0.05 -0.22 -0.01 -0.63 0.00 0.00 0.00 175.10 174.19 2jxb s ILE 33 N -1.97 0.12 0.49 2.22 1.01 -1.26 -0.09 121.20 121.72 2jxb s ILE 33 Ca 0.29 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.02 2jxb s ILE 33 Cb -0.08 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.23 2jxb s ILE 33 CO 0.20 0.08 0.37 0.54 0.00 0.00 0.00 174.94 176.12 2jxb s VAL 34 N 0.44 2.05 -0.08 2.92 0.11 -0.75 -4.19 120.40 120.89 2jxb s VAL 34 Ca -0.04 -1.47 -0.03 0.00 -2.93 0.00 0.00 61.98 57.51 2jxb s VAL 34 Cb -0.06 -2.52 0.04 0.00 -1.53 0.00 0.00 36.38 32.31 2jxb s VAL 34 CO -0.01 0.00 0.11 -0.63 -3.33 0.00 0.00 175.10 171.24 2jxb s ILE 35 N -2.66 -0.18 -0.28 7.04 1.01 -1.19 -2.37 121.20 122.57 2jxb s ILE 35 Ca 0.40 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 61.06 2jxb s ILE 35 Cb -0.02 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 2jxb s ILE 35 CO 0.24 0.09 1.68 0.00 0.00 0.00 0.00 174.94 176.95 2jxb s ALA 36 N 2.23 3.09 0.41 9.38 0.00 0.86 0.03 121.76 137.75 2jxb s ALA 36 Ca 0.04 0.34 0.17 0.00 0.00 0.00 0.00 51.96 52.51 2jxb s ALA 36 Cb -0.13 -3.93 1.06 0.00 0.00 0.00 0.00 23.12 20.12 2jxb s ALA 36 CO -0.05 -2.27 1.84 0.87 0.00 0.00 0.00 175.76 176.15 2jxb h LYS 37 N 11.64 0.42 0.00 0.00 1.57 -1.25 0.10 116.57 129.05 2jxb h LYS 37 Ca -0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2jxb h LYS 37 Cb 1.16 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2jxb h LYS 37 CO 1.02 0.28 0.00 0.91 -0.57 0.00 0.00 179.45 181.09 2jxb n TRP 38 N -4.53 -0.25 -3.87 -1.35 7.02 -1.22 -4.27 117.44 108.97 2jxb n TRP 38 Ca 0.20 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.31 2jxb n TRP 38 Cb 0.70 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.53 2jxb n TRP 38 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2jxb s ASP 39 N -0.97 6.39 0.25 -0.99 -1.08 -1.26 -3.52 116.67 115.49 2jxb s ASP 39 Ca 0.00 0.46 0.06 0.00 -0.52 0.00 0.00 52.55 52.55 2jxb s ASP 39 Cb 0.00 -2.07 -0.05 0.00 -1.46 0.00 0.00 42.92 39.33 2jxb s ASP 39 CO 0.00 0.40 -0.06 -0.47 0.52 0.00 0.00 175.17 175.56 2jxb s TYR 40 N -0.97 1.80 -0.11 -5.34 5.04 0.63 -4.93 117.35 113.48 2jxb s TYR 40 Ca 0.15 -0.74 0.03 0.00 -2.44 0.00 0.00 57.07 54.06 2jxb s TYR 40 Cb -0.12 -1.01 -0.01 0.00 0.35 0.00 0.00 41.96 41.18 2jxb s TYR 40 CO 0.04 0.20 -0.20 0.99 -1.34 0.00 0.00 175.55 175.24 2jxb s THR 41 N -3.12 2.39 -0.58 4.34 2.01 -1.26 -3.30 115.64 116.12 2jxb s THR 41 Ca 0.28 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 2jxb s THR 41 Cb 0.04 -1.95 -0.10 0.00 0.01 0.00 0.00 72.50 70.50 2jxb s THR 41 CO 0.10 0.55 2.46 0.00 -0.69 0.00 0.00 174.62 177.04 2jxb n ALA 42 N 3.51 0.73 0.11 7.40 0.00 -1.26 -4.78 120.51 126.23 2jxb n ALA 42 Ca -0.19 -0.75 -0.04 0.00 0.00 0.00 0.00 53.44 52.46 2jxb n ALA 42 Cb 0.53 -2.99 0.08 0.00 0.00 0.00 0.00 19.45 17.07 2jxb n ALA 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2jxb h GLN 43 N 17.69 0.06 0.00 0.00 -0.00 -1.91 -3.47 115.11 127.48 2jxb h GLN 43 Ca -0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2jxb h GLN 43 Cb 1.28 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2jxb h GLN 43 CO 1.19 0.76 0.00 1.04 -0.00 0.00 0.00 178.83 181.82 2jxb n GLN 44 N -3.71 1.26 0.06 0.06 6.02 -1.26 -5.06 117.38 114.76 2jxb n GLN 44 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.02 2jxb n GLN 44 Cb 0.71 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.92 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jxb h ASP 45 N 0.00 0.00 1.23 1.08 5.19 -2.03 -3.34 116.42 118.56 2jxb h ASP 45 Ca 0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 2jxb h ASP 45 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2jxb h ASP 45 CO 0.00 0.38 -0.80 -0.61 -3.12 0.00 0.00 179.24 175.08 2jxb h GLN 46 N 0.00 0.00 -7.56 3.56 5.75 -1.98 -3.46 115.11 111.42 2jxb h GLN 46 Ca -0.10 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 57.92 2jxb h GLN 46 Cb 1.38 0.00 0.10 0.00 1.07 0.00 0.00 27.48 30.03 2jxb h GLN 46 CO 0.03 0.42 0.39 -1.21 -2.65 0.00 0.00 178.83 175.82 2jxb s GLU 47 N -2.96 2.07 0.08 1.69 0.41 -1.25 -2.19 118.70 116.54 2jxb s GLU 47 Ca 0.02 0.23 0.06 0.00 -0.41 0.00 0.00 54.97 54.87 2jxb s GLU 47 Cb 0.08 -1.95 -0.03 0.00 -1.78 0.00 0.00 34.13 30.45 2jxb s GLU 47 CO 0.77 -1.55 -0.15 -1.17 -0.49 0.00 0.00 175.26 172.67 2jxb s LEU 48 N -5.59 2.29 -0.31 1.80 0.20 -0.46 -4.54 118.68 112.06 2jxb s LEU 48 Ca 0.61 -0.64 -0.24 0.00 0.69 0.00 0.00 54.13 54.55 2jxb s LEU 48 Cb -0.12 -0.57 0.00 0.00 -0.43 0.00 0.00 46.19 45.07 2jxb s LEU 48 CO 0.50 -0.06 0.82 -1.81 -0.29 0.00 0.00 176.35 175.51 2jxb s ASP 49 N -1.81 6.68 0.12 3.68 1.11 -1.26 -4.42 116.67 120.76 2jxb s ASP 49 Ca -0.00 0.67 0.04 0.00 0.18 0.00 0.00 52.55 53.44 2jxb s ASP 49 Cb -0.10 -2.42 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 2jxb s ASP 49 CO 0.03 -0.66 0.09 0.27 1.18 0.00 0.00 175.17 176.08 2jxb s ILE 50 N 3.05 4.43 0.33 0.77 -4.36 -1.21 -4.95 121.20 119.26 2jxb s ILE 50 Ca 0.34 -0.95 0.08 0.00 -0.26 0.00 0.00 60.65 59.86 2jxb s ILE 50 Cb -0.14 -3.19 -0.04 0.00 1.25 0.00 0.00 42.46 40.34 2jxb s ILE 50 CO 0.13 0.02 0.13 -0.54 0.24 0.00 0.00 174.94 174.92 2jxb s LYS 51 N -2.71 2.40 0.19 0.37 1.02 -1.26 -0.26 119.74 119.49 2jxb s LYS 51 Ca 0.30 -1.50 -0.31 0.00 0.02 0.00 0.00 55.97 54.47 2jxb s LYS 51 Cb -0.11 -2.20 -0.10 0.00 -0.52 0.00 0.00 37.83 34.90 2jxb s LYS 51 CO 0.22 0.15 1.54 -1.59 -0.92 0.00 0.00 175.35 174.76 2jxb s LYS 52 N -3.83 4.22 -1.11 1.68 -2.85 -1.23 -1.63 119.74 114.99 2jxb s LYS 52 Ca 0.37 2.37 0.00 0.00 -1.00 0.00 0.00 55.97 57.70 2jxb s LYS 52 Cb -0.03 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 2jxb s LYS 52 CO 0.23 -0.57 0.00 -1.71 0.10 0.00 0.00 175.35 173.40 2jxb n ASN 53 N 3.49 -5.19 -4.73 0.03 5.15 0.02 -4.95 115.26 109.08 2jxb n ASN 53 Ca 0.12 0.26 -0.41 0.00 -0.60 0.00 0.00 54.58 53.95 2jxb n ASN 53 Cb 0.39 -3.60 -0.04 0.00 -0.53 0.00 0.00 39.78 35.99 2jxb n ASN 53 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2jxb s GLU 54 N -2.73 4.64 0.09 1.20 2.56 -0.65 -4.78 118.70 119.03 2jxb s GLU 54 Ca 0.00 1.58 0.06 0.00 0.00 0.00 0.00 54.97 56.61 2jxb s GLU 54 Cb 0.00 -3.33 -0.04 0.00 2.00 0.00 0.00 34.13 32.76 2jxb s GLU 54 CO 0.00 0.13 -0.04 -0.98 -0.56 0.00 0.00 175.26 173.81 2jxb s ARG 55 N -0.11 2.38 0.30 4.30 1.70 -1.26 -0.10 118.95 126.16 2jxb s ARG 55 Ca 0.48 -0.91 -0.06 0.00 -0.47 0.00 0.00 55.73 54.78 2jxb s ARG 55 Cb -0.26 -2.44 -0.00 0.00 -0.57 0.00 0.00 34.95 31.67 2jxb s ARG 55 CO 0.32 0.53 0.44 -0.51 -1.08 0.00 0.00 175.30 175.00 2jxb s LEU 56 N -2.22 0.79 -0.37 -1.89 1.02 -1.00 -4.89 118.68 110.11 2jxb s LEU 56 Ca 0.23 -1.29 -0.22 0.00 0.02 0.00 0.00 54.13 52.87 2jxb s LEU 56 Cb -0.11 1.47 0.01 0.00 0.02 0.00 0.00 46.19 47.58 2jxb s LEU 56 CO 0.16 -1.21 0.70 0.26 0.02 0.00 0.00 176.35 176.29 2jxb s TRP 57 N -3.46 3.12 -0.02 0.29 0.51 0.32 -1.81 118.94 117.89 2jxb s TRP 57 Ca 0.29 0.38 -0.30 0.00 -2.12 0.00 0.00 56.10 54.35 2jxb s TRP 57 Cb 0.00 -3.30 -0.06 0.00 -0.81 0.00 0.00 33.47 29.30 2jxb s TRP 57 CO 0.16 -0.72 1.66 -0.51 -0.51 0.00 0.00 176.95 177.03 2jxb s LEU 58 N 2.92 4.34 0.00 2.99 1.43 0.86 -0.95 118.68 130.27 2jxb s LEU 58 Ca 0.27 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2jxb s LEU 58 Cb -0.14 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2jxb s LEU 58 CO 0.17 -0.91 0.00 0.18 0.23 0.00 0.00 176.35 176.01 2jxb n LEU 59 N 6.77 0.12 -3.72 1.79 4.77 0.13 -4.33 117.00 122.53 2jxb n LEU 59 Ca 0.17 0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.96 2jxb n LEU 59 Cb 0.42 -0.38 -0.17 0.00 -2.33 0.00 0.00 43.42 40.96 2jxb n LEU 59 CO 0.63 -0.38 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.33 2jxb s ASP 60 N -3.14 2.36 -0.67 -1.43 -1.08 -1.12 -5.00 116.67 106.58 2jxb s ASP 60 Ca 0.00 -0.54 0.05 0.00 -0.52 0.00 0.00 52.55 51.54 2jxb s ASP 60 Cb 0.00 -0.46 0.16 0.00 -1.46 0.00 0.00 42.92 41.16 2jxb s ASP 60 CO 0.00 -0.28 0.46 1.51 0.52 0.00 0.00 175.17 177.38 2jxb s ASP 61 N 1.96 4.66 -0.13 -0.34 -4.77 -1.26 -2.17 116.67 114.61 2jxb s ASP 61 Ca 0.02 -3.74 -0.07 0.00 -3.30 0.00 0.00 52.55 45.46 2jxb s ASP 61 Cb -0.15 -1.59 -0.06 0.00 -1.09 0.00 0.00 42.92 40.02 2jxb s ASP 61 CO -0.07 -0.10 -0.17 -1.20 0.70 0.00 0.00 175.17 174.32 2jxb n SER 62 N 2.13 0.94 -4.56 2.11 7.64 -1.26 -5.04 113.62 115.58 2jxb n SER 62 Ca 0.18 0.16 -0.25 0.00 1.01 0.00 0.00 58.87 59.97 2jxb n SER 62 Cb 0.35 -0.39 0.12 0.00 -1.01 0.00 0.00 64.21 63.28 2jxb n SER 62 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jxb s LYS 63 N -2.24 1.46 0.41 1.43 1.02 -1.26 -4.94 119.74 115.61 2jxb s LYS 63 Ca -0.19 -0.87 0.21 0.00 0.02 0.00 0.00 55.97 55.15 2jxb s LYS 63 Cb 0.07 -2.20 1.18 0.00 -0.52 0.00 0.00 37.83 36.37 2jxb s LYS 63 CO 0.23 -1.67 1.74 0.00 -0.92 0.00 0.00 175.35 174.73 2jxb h THR 64 N -0.81 0.44 -2.96 2.17 1.03 -1.93 -3.38 112.91 107.46 2jxb h THR 64 Ca -0.39 -0.11 -0.62 0.00 -0.01 0.00 0.00 66.41 65.28 2jxb h THR 64 Cb 1.26 0.10 -0.07 0.00 -1.07 0.00 0.00 68.15 68.37 2jxb h THR 64 CO 0.41 0.06 -0.32 0.26 -0.01 0.00 0.00 175.52 175.91 2jxb s TRP 65 N -5.43 3.62 0.13 0.00 0.52 -1.26 -2.32 118.94 114.20 2jxb s TRP 65 Ca -0.08 0.74 0.07 0.00 0.02 0.00 0.00 56.10 56.85 2jxb s TRP 65 Cb 0.26 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2jxb s TRP 65 CO 0.80 0.58 -0.07 -1.58 0.02 0.00 0.00 176.95 176.70 2jxb s TRP 66 N -0.68 2.76 -0.16 -1.98 0.51 -0.48 -4.48 118.94 114.44 2jxb s TRP 66 Ca 0.19 -0.15 -0.01 0.00 -2.12 0.00 0.00 56.10 54.01 2jxb s TRP 66 Cb -0.14 -1.40 -0.01 0.00 -0.81 0.00 0.00 33.47 31.10 2jxb s TRP 66 CO 0.08 0.47 -0.11 0.50 -0.51 0.00 0.00 176.95 177.38 2jxb s ARG 67 N -2.49 3.37 0.31 4.98 3.52 -0.92 -1.82 118.95 125.90 2jxb s ARG 67 Ca 0.24 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.20 2jxb s ARG 67 Cb -0.10 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2jxb s ARG 67 CO 0.15 0.09 0.13 0.14 -0.81 0.00 0.00 175.30 175.00 2jxb s VAL 68 N 0.68 0.54 0.00 7.11 -7.23 -1.17 0.20 120.40 120.54 2jxb s VAL 68 Ca -0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 2jxb s VAL 68 Cb -0.15 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 2jxb s VAL 68 CO 0.02 0.00 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.09 2jxb s ARG 69 N -3.86 0.97 0.44 4.82 3.52 -0.12 -2.65 118.95 122.08 2jxb s ARG 69 Ca 0.34 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 2jxb s ARG 69 Cb 0.06 -0.94 0.09 0.00 -1.56 0.00 0.00 34.95 32.59 2jxb s ARG 69 CO 0.16 0.25 0.61 0.27 -0.81 0.00 0.00 175.30 175.78 2jxb n ASN 70 N 2.57 0.87 0.00 -2.12 0.23 -0.78 -0.52 115.26 115.51 2jxb n ASN 70 Ca -0.15 -1.72 0.09 0.00 -0.53 0.00 0.00 54.58 52.27 2jxb n ASN 70 Cb 0.56 -0.39 0.41 0.00 -2.08 0.00 0.00 39.78 38.28 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jxb n ALA 71 N -2.91 1.88 0.74 -2.53 0.00 -1.26 -2.39 120.51 114.03 2jxb n ALA 71 Ca -0.10 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.32 2jxb n ALA 71 Cb 0.37 -1.30 0.16 0.00 0.00 0.00 0.00 19.45 18.68 2jxb n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jxb n ALA 72 N -1.44 2.56 -1.27 0.00 0.00 -1.26 -4.87 120.51 114.22 2jxb n ALA 72 Ca 0.06 -0.67 -0.09 0.00 0.00 0.00 0.00 53.44 52.73 2jxb n ALA 72 Cb 0.19 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2jxb n ALA 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jxb n ASN 73 N 0.51 -5.18 -4.86 0.00 3.02 -1.01 -4.97 115.26 102.77 2jxb n ASN 73 Ca 0.12 0.23 -0.35 0.00 -0.03 0.00 0.00 54.58 54.55 2jxb n ASN 73 Cb 0.37 -3.52 -0.06 0.00 -0.61 0.00 0.00 39.78 35.96 2jxb n ASN 73 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2jxb s ARG 74 N -2.63 3.78 -0.05 3.52 6.06 -1.26 -4.92 118.95 123.46 2jxb s ARG 74 Ca 0.00 0.22 0.05 0.00 -2.50 0.00 0.00 55.73 53.50 2jxb s ARG 74 Cb 0.00 -3.04 -0.01 0.00 0.06 0.00 0.00 34.95 31.96 2jxb s ARG 74 CO 0.00 0.59 -0.21 0.95 -2.50 0.00 0.00 175.30 174.13 2jxb s THR 75 N -1.34 1.70 0.19 4.11 -4.23 -1.26 -1.87 115.64 112.95 2jxb s THR 75 Ca 0.31 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2jxb s THR 75 Cb -0.14 -1.44 0.01 0.00 1.34 0.00 0.00 72.50 72.26 2jxb s THR 75 CO 0.17 0.48 0.29 0.61 -0.54 0.00 0.00 174.62 175.63 2jxb n GLY 76 N 3.01 2.39 3.63 3.99 0.00 -1.08 -4.98 105.19 112.15 2jxb n GLY 76 Ca -0.18 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 2jxb n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxb s TYR 77 N -4.12 2.81 -0.08 1.61 1.51 -0.93 -3.02 117.35 115.12 2jxb s TYR 77 Ca 0.15 -0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 55.84 2jxb s TYR 77 Cb -0.01 -1.41 0.05 0.00 -0.11 0.00 0.00 41.96 40.49 2jxb s TYR 77 CO 0.11 0.48 0.54 0.14 -1.11 0.00 0.00 175.55 175.71 2jxb s VAL 78 N -1.50 0.02 -0.01 0.71 -7.23 -0.76 -1.36 120.40 110.27 2jxb s VAL 78 Ca 0.25 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.98 2jxb s VAL 78 Cb -0.10 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 35.95 2jxb s VAL 78 CO 0.17 -0.08 1.46 -2.16 -0.31 0.00 0.00 175.10 174.18 2jxb s PRO 79 N -0.83 4.25 0.57 4.82 0.04 -1.26 -1.38 135.00 141.22 2jxb s PRO 79 Ca -0.09 2.02 0.38 0.00 0.04 0.00 0.00 61.00 63.35 2jxb s PRO 79 Cb -0.03 -3.65 2.05 0.00 0.04 0.00 0.00 34.50 32.92 2jxb s PRO 79 CO 0.06 -0.64 2.16 0.66 0.04 0.00 0.00 177.00 179.27 2jxb h SER 80 N 8.15 0.00 0.35 6.66 4.64 -1.79 -0.48 113.55 131.09 2jxb h SER 80 Ca -0.38 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 2jxb h SER 80 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2jxb h SER 80 CO 0.92 0.00 -0.49 0.78 -0.87 0.00 0.00 176.83 177.17 2jxb h ASN 81 N 0.00 0.18 -0.21 4.97 4.21 -1.90 -2.68 115.58 120.15 2jxb h ASN 81 Ca 0.00 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.43 2jxb h ASN 81 Cb 0.03 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 2jxb h ASN 81 CO 0.00 0.64 0.00 -1.22 -1.29 0.00 0.00 177.43 175.56 2jxb n TYR 82 N -3.96 0.26 -4.33 1.19 4.02 -0.20 -4.91 117.16 109.22 2jxb n TYR 82 Ca -0.02 -0.13 -0.19 0.00 -0.01 0.00 0.00 57.90 57.56 2jxb n TYR 82 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.75 2jxb n TYR 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jxb s VAL 83 N -1.74 1.69 -0.30 -0.72 0.11 -1.01 -0.78 120.40 117.65 2jxb s VAL 83 Ca 0.34 -2.13 0.01 0.00 -2.93 0.00 0.00 61.98 57.27 2jxb s VAL 83 Cb 0.20 -1.97 0.19 0.00 -1.53 0.00 0.00 36.38 33.27 2jxb s VAL 83 CO 0.29 -0.55 0.60 -0.70 -3.33 0.00 0.00 175.10 171.41 2jxb s GLU 84 N -3.46 0.57 0.93 1.54 2.12 0.10 -4.74 118.70 115.76 2jxb s GLU 84 Ca 0.20 0.91 -0.10 0.00 0.36 0.00 0.00 54.97 56.34 2jxb s GLU 84 Cb -0.02 0.49 0.15 0.00 0.26 0.00 0.00 34.13 35.02 2jxb s GLU 84 CO 0.06 -0.72 1.13 -0.98 -0.54 0.00 0.00 175.26 174.22 2jxb s ARG 85 N 2.85 0.91 0.00 4.30 1.04 -1.26 -3.14 118.95 123.65 2jxb s ARG 85 Ca 0.19 1.43 0.00 0.00 -1.04 0.00 0.00 55.73 56.31 2jxb s ARG 85 Cb -0.14 -1.72 0.00 0.00 -2.04 0.00 0.00 34.95 31.05 2jxb s ARG 85 CO -0.22 -2.67 0.04 1.17 -0.04 0.00 0.00 175.30 173.58