#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 1.19 0.20 -0.41 0.00 -1.26 -5.15 119.30 113.87 2jxb s MET 2 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 55.69 54.39 2jxb s MET 2 Cb 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 34.83 33.41 2jxb s MET 2 CO 0.00 0.30 0.43 -1.59 0.00 0.00 0.00 175.02 174.16 2jxb s LYS 3 N -2.28 3.59 0.13 3.16 -2.85 -1.26 -5.09 119.74 115.14 2jxb s LYS 3 Ca 0.10 -0.15 -0.19 0.00 -1.00 0.00 0.00 55.97 54.74 2jxb s LYS 3 Cb -0.08 -2.79 0.07 0.00 -2.06 0.00 0.00 37.83 32.96 2jxb s LYS 3 CO 0.05 0.38 0.90 -1.91 0.10 0.00 0.00 175.35 174.87 2jxb n GLU 4 N -0.42 0.50 -1.47 1.78 2.13 -1.26 -5.17 120.64 116.73 2jxb n GLU 4 Ca -0.03 -1.17 -0.31 0.00 0.66 0.00 0.00 57.16 56.31 2jxb n GLU 4 Cb 0.53 1.61 0.07 0.00 0.27 0.00 0.00 31.44 33.92 2jxb n GLU 4 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2jxb s ARG 5 N -2.04 2.59 0.96 5.31 0.52 -1.26 -5.04 118.95 120.00 2jxb s ARG 5 Ca 0.20 0.97 -0.12 0.00 -0.52 0.00 0.00 55.73 56.26 2jxb s ARG 5 Cb -0.02 -1.95 0.17 0.00 0.52 0.00 0.00 34.95 33.67 2jxb s ARG 5 CO 0.04 -1.35 1.09 -1.25 0.02 0.00 0.00 175.30 173.85 2jxb s PRO 6 N -5.02 0.73 0.97 3.54 0.04 -1.26 -5.04 135.00 128.96 2jxb s PRO 6 Ca 0.59 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 2jxb s PRO 6 Cb -0.15 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.80 2jxb s PRO 6 CO 0.55 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.88 2jxb s PRO 7 N -4.95 0.69 1.24 0.56 0.04 -1.26 -5.05 135.00 126.26 2jxb s PRO 7 Ca 0.65 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 2jxb s PRO 7 Cb -0.18 -1.76 0.31 0.00 0.04 0.00 0.00 34.50 32.91 2jxb s PRO 7 CO 0.57 -2.58 1.10 -0.35 0.04 0.00 0.00 177.00 175.78 2jxb n PRO 8 N -4.09 -3.18 -1.65 0.56 -0.04 -1.26 -4.96 135.00 120.38 2jxb n PRO 8 Ca 0.06 -1.75 -0.40 0.00 -0.04 0.00 0.00 63.50 61.36 2jxb n PRO 8 Cb 0.57 -1.65 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2jxb n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jxb n VAL 9 N -4.89 2.76 -1.30 0.52 0.24 -1.26 -4.80 118.33 109.60 2jxb n VAL 9 Ca 0.15 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.55 2jxb n VAL 9 Cb 0.59 -1.34 -0.06 0.00 -1.47 0.00 0.00 33.84 31.56 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 -0.14 1.44 -3.20 7.34 -0.04 -1.26 -4.53 135.00 134.61 2jxb n PRO 10 Ca 0.09 -1.92 -0.24 0.00 -0.04 0.00 0.00 63.50 61.38 2jxb n PRO 10 Cb 0.41 -3.06 0.02 0.00 -0.04 0.00 0.00 33.50 30.83 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 9.00 -5.37 -4.75 3.54 0.23 -1.26 -4.83 115.26 111.82 2jxb n ASN 11 Ca 0.48 0.02 -0.41 0.00 -0.53 0.00 0.00 54.58 54.15 2jxb n ASN 11 Cb 0.42 -1.45 -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 -1.79 4.42 -0.42 -0.53 0.04 -1.26 -4.95 135.00 130.50 2jxb s PRO 12 Ca 0.24 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.41 2jxb s PRO 12 Cb -0.02 -3.16 0.36 0.00 0.04 0.00 0.00 34.50 31.71 2jxb s PRO 12 CO 0.53 -0.16 1.23 -0.25 0.04 0.00 0.00 177.00 178.39 2jxb n ASP 13 N 1.94 -1.95 0.20 6.66 8.00 -1.26 -4.95 116.55 125.19 2jxb n ASP 13 Ca 0.03 -3.00 0.12 0.00 0.71 0.00 0.00 54.79 52.65 2jxb n ASP 13 Cb 0.43 1.33 0.22 0.00 -0.02 0.00 0.00 41.12 43.07 2jxb n ASP 13 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2jxb h TYR 14 N 2.47 0.00 -2.63 1.24 -0.00 -1.99 -3.45 116.97 112.61 2jxb h TYR 14 Ca -0.19 0.00 -0.53 0.00 0.00 0.00 0.00 58.73 58.01 2jxb h TYR 14 Cb 1.21 0.00 0.04 0.00 0.00 0.00 0.00 36.73 37.98 2jxb h TYR 14 CO 0.23 0.00 1.04 -0.80 -0.00 0.00 0.00 178.16 178.63 2jxb s ASN 15 N -5.91 6.47 -0.09 0.10 0.02 -1.26 -4.93 114.94 109.33 2jxb s ASN 15 Ca 0.08 2.71 -0.03 0.00 -1.02 0.00 0.00 52.86 54.60 2jxb s ASN 15 Cb 0.06 -2.58 -0.01 0.00 0.02 0.00 0.00 41.25 38.75 2jxb s ASN 15 CO 0.66 -0.95 -0.05 -1.28 0.02 0.00 0.00 177.10 175.49 2jxb h SER 16 N 7.95 0.00 -0.87 -1.22 0.87 -1.97 -3.49 113.55 114.83 2jxb h SER 16 Ca -0.44 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.55 2jxb h SER 16 Cb 1.21 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.12 2jxb h SER 16 CO 0.94 0.45 -0.33 -0.76 -0.53 0.00 0.00 176.83 176.60 2jxb s LEU 17 N -7.38 2.88 -0.00 2.23 1.02 -1.26 -5.08 118.68 111.10 2jxb s LEU 17 Ca -0.05 -1.13 -0.15 0.00 0.02 0.00 0.00 54.13 52.83 2jxb s LEU 17 Cb 0.01 -1.39 -0.08 0.00 0.02 0.00 0.00 46.19 44.75 2jxb s LEU 17 CO 0.07 -0.96 0.84 0.11 0.02 0.00 0.00 176.35 176.43 2jxb h LYS 18 N 0.87 -0.52 0.61 1.70 1.57 -2.05 -3.37 116.57 115.38 2jxb h LYS 18 Ca -0.38 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 2jxb h LYS 18 Cb 1.29 0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.72 2jxb h LYS 18 CO 0.58 -0.35 -0.29 0.87 -0.57 0.00 0.00 179.45 179.70 2jxb h LYS 19 N -0.79 -0.78 0.00 3.15 1.57 -2.04 -3.49 116.57 114.19 2jxb h LYS 19 Ca -0.06 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jxb h LYS 19 Cb 0.41 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2jxb h LYS 19 CO 0.09 -0.52 0.00 0.41 -0.57 0.00 0.00 179.45 178.86 2jxb n GLY 20 N -1.05 2.67 3.37 3.86 0.00 -1.26 -5.13 105.19 107.65 2jxb n GLY 20 Ca -0.10 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 2jxb n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jxb s SER 21 N 0.00 -0.42 -0.13 1.61 0.15 -1.26 -4.85 113.70 108.80 2jxb s SER 21 Ca 0.00 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.57 2jxb s SER 21 Cb 0.00 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2jxb s SER 21 CO 0.00 -0.89 -0.22 -0.22 1.20 0.00 0.00 173.24 173.11 2jxb s LEU 22 N -2.68 2.09 0.00 3.45 1.98 -1.26 -5.05 118.68 117.22 2jxb s LEU 22 Ca 0.01 -0.59 -0.00 0.00 -2.89 0.00 0.00 54.13 50.66 2jxb s LEU 22 Cb 0.00 -1.43 0.00 0.00 0.66 0.00 0.00 46.19 45.43 2jxb s LEU 22 CO -0.11 0.09 0.11 1.33 -1.89 0.00 0.00 176.35 175.88 2jxb n VAL 23 N 3.98 0.00 -3.80 1.68 0.24 -1.26 -5.19 118.33 113.98 2jxb n VAL 23 Ca -0.20 -0.41 -0.05 0.00 -2.04 0.00 0.00 64.34 61.65 2jxb n VAL 23 Cb 0.52 0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.18 1.46 -0.20 7.34 2.20 -1.26 -5.16 119.74 121.94 2jxb s LYS 24 Ca 0.07 -0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 54.76 2jxb s LYS 24 Cb -0.00 0.49 -0.05 0.00 -1.51 0.00 0.00 37.83 36.76 2jxb s LYS 24 CO 0.05 -0.67 0.11 1.21 -0.36 0.00 0.00 175.35 175.69 2jxb s ASN 25 N -2.97 6.03 -0.83 1.43 3.04 -1.26 -5.05 114.94 115.33 2jxb s ASN 25 Ca 0.12 0.18 -0.15 0.00 0.04 0.00 0.00 52.86 53.05 2jxb s ASN 25 Cb -0.03 -2.05 0.20 0.00 -1.54 0.00 0.00 41.25 37.82 2jxb s ASN 25 CO 0.05 0.18 0.82 -0.76 -3.04 0.00 0.00 177.10 174.34 2jxb s LEU 26 N 0.38 6.39 -0.14 3.21 1.43 -1.26 -5.03 118.68 123.67 2jxb s LEU 26 Ca 0.06 -2.51 -0.03 0.00 -1.03 0.00 0.00 54.13 50.63 2jxb s LEU 26 Cb -0.11 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2jxb s LEU 26 CO -0.01 -0.69 -0.03 -1.38 0.23 0.00 0.00 176.35 174.47 2jxb s HIS 27 N 0.74 3.04 -0.04 0.29 -3.43 -1.26 -4.98 115.29 109.66 2jxb s HIS 27 Ca 0.20 -0.18 0.07 0.00 -0.80 0.00 0.00 55.06 54.35 2jxb s HIS 27 Cb -0.10 -1.91 -0.10 0.00 -1.43 0.00 0.00 32.58 29.03 2jxb s HIS 27 CO -0.08 0.09 0.10 -0.12 -2.00 0.00 0.00 174.74 172.72 2jxb n MET 28 N 3.18 1.54 -3.33 -0.38 1.56 -1.26 -4.93 117.12 113.50 2jxb n MET 28 Ca -0.18 -0.04 -0.13 0.00 -0.27 0.00 0.00 57.70 57.09 2jxb n MET 28 Cb 0.53 -1.18 -0.07 0.00 2.15 0.00 0.00 33.22 34.65 2jxb n MET 28 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 2jxb s THR 29 N -2.35 -0.51 -0.25 1.12 2.01 -1.26 -5.13 115.64 109.27 2jxb s THR 29 Ca -0.03 -0.57 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 2jxb s THR 29 Cb 0.03 -0.78 0.12 0.00 0.01 0.00 0.00 72.50 71.88 2jxb s THR 29 CO 0.30 -0.41 0.99 -1.61 -0.69 0.00 0.00 174.62 173.20 2jxb s GLU 30 N 2.03 0.57 -0.48 4.92 2.02 -1.26 -5.11 118.70 121.39 2jxb s GLU 30 Ca 0.13 0.53 0.06 0.00 0.02 0.00 0.00 54.97 55.71 2jxb s GLU 30 Cb -0.13 0.28 0.20 0.00 0.10 0.00 0.00 34.13 34.58 2jxb s GLU 30 CO -0.19 -0.10 0.66 0.39 0.02 0.00 0.00 175.26 176.05 2jxb n GLU 31 N 1.91 0.53 -4.17 1.61 1.02 -1.26 -5.13 120.64 115.15 2jxb n GLU 31 Ca -0.12 -2.31 -0.26 0.00 -0.02 0.00 0.00 57.16 54.45 2jxb n GLU 31 Cb 0.56 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 2jxb n GLU 31 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jxb s VAL 32 N 0.49 3.96 -0.03 2.62 1.01 -1.26 -5.03 120.40 122.17 2jxb s VAL 32 Ca 0.31 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2jxb s VAL 32 Cb 0.07 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2jxb s VAL 32 CO -0.13 -0.15 0.07 -0.63 0.00 0.00 0.00 175.10 174.26 2jxb s ILE 33 N -1.82 -0.03 0.28 2.22 1.01 -1.26 -0.09 121.20 121.52 2jxb s ILE 33 Ca 0.29 0.12 0.10 0.00 0.00 0.00 0.00 60.65 61.16 2jxb s ILE 33 Cb -0.09 -0.12 -0.05 0.00 0.01 0.00 0.00 42.46 42.22 2jxb s ILE 33 CO 0.20 0.05 -0.02 0.54 0.00 0.00 0.00 174.94 175.71 2jxb s VAL 34 N 0.65 3.18 -0.09 2.92 0.11 -1.00 -4.11 120.40 122.07 2jxb s VAL 34 Ca -0.05 -1.98 0.03 0.00 -2.93 0.00 0.00 61.98 57.05 2jxb s VAL 34 Cb -0.07 -2.77 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 2jxb s VAL 34 CO -0.02 -0.34 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.60 2jxb s ILE 35 N -2.38 1.58 -0.40 7.04 1.09 -0.93 -1.89 121.20 125.32 2jxb s ILE 35 Ca 0.32 -0.73 -0.28 0.00 -1.10 0.00 0.00 60.65 58.86 2jxb s ILE 35 Cb -0.05 -1.40 -0.01 0.00 -1.06 0.00 0.00 42.46 39.94 2jxb s ILE 35 CO 0.19 0.45 1.68 0.00 -0.10 0.00 0.00 174.94 177.17 2jxb s ALA 36 N 0.57 2.83 0.42 9.38 0.00 0.78 0.17 121.76 135.91 2jxb s ALA 36 Ca -0.15 -0.01 0.18 0.00 0.00 0.00 0.00 51.96 51.98 2jxb s ALA 36 Cb -0.17 -4.03 1.10 0.00 0.00 0.00 0.00 23.12 20.02 2jxb s ALA 36 CO 0.05 -2.73 1.83 0.87 0.00 0.00 0.00 175.76 175.78 2jxb h LYS 37 N 12.42 0.38 0.00 0.00 1.57 -1.20 -2.10 116.57 127.65 2jxb h LYS 37 Ca -0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2jxb h LYS 37 Cb 1.15 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2jxb h LYS 37 CO 1.08 0.25 0.00 0.91 -0.57 0.00 0.00 179.45 181.12 2jxb n TRP 38 N -4.53 -0.39 -3.64 -1.35 7.02 -1.21 -4.61 117.44 108.73 2jxb n TRP 38 Ca 0.21 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.30 2jxb n TRP 38 Cb 0.77 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.55 2jxb n TRP 38 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2jxb s ASP 39 N -0.93 5.60 -0.02 -0.99 1.11 -1.26 -3.30 116.67 116.88 2jxb s ASP 39 Ca 0.00 -0.72 0.08 0.00 0.18 0.00 0.00 52.55 52.09 2jxb s ASP 39 Cb 0.00 -2.00 -0.02 0.00 1.07 0.00 0.00 42.92 41.97 2jxb s ASP 39 CO 0.00 -0.27 -0.26 -0.47 1.18 0.00 0.00 175.17 175.35 2jxb s TYR 40 N 1.58 2.33 -0.24 4.23 5.04 0.05 -4.94 117.35 125.41 2jxb s TYR 40 Ca 0.03 -0.47 -0.13 0.00 -2.44 0.00 0.00 57.07 54.07 2jxb s TYR 40 Cb -0.18 -1.50 -0.04 0.00 0.35 0.00 0.00 41.96 40.58 2jxb s TYR 40 CO 0.06 -0.06 0.29 0.99 -1.34 0.00 0.00 175.55 175.49 2jxb s THR 41 N -0.56 5.26 0.26 4.34 2.01 -1.26 -1.38 115.64 124.31 2jxb s THR 41 Ca 0.09 0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 2jxb s THR 41 Cb -0.10 -3.62 -0.13 0.00 0.01 0.00 0.00 72.50 68.66 2jxb s THR 41 CO -0.01 0.26 1.42 0.00 -0.69 0.00 0.00 174.62 175.61 2jxb n ALA 42 N 4.70 1.40 -0.05 7.40 0.00 -1.25 -4.91 120.51 127.81 2jxb n ALA 42 Ca -0.11 0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 2jxb n ALA 42 Cb 0.51 -2.31 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 2jxb n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jxb n GLN 43 N 1.83 1.28 -2.77 0.00 0.00 -1.26 -4.94 117.38 111.53 2jxb n GLN 43 Ca 0.10 -0.05 -0.18 0.00 0.00 0.00 0.00 57.00 56.86 2jxb n GLN 43 Cb 0.33 -1.36 0.07 0.00 0.00 0.00 0.00 30.24 29.28 2jxb n GLN 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2jxb n GLN 44 N -2.35 0.53 0.06 2.61 1.13 -1.26 -5.03 117.38 113.06 2jxb n GLN 44 Ca -0.16 -2.84 0.06 0.00 -1.94 0.00 0.00 57.00 52.12 2jxb n GLN 44 Cb 0.77 -0.28 -0.06 0.00 0.11 0.00 0.00 30.24 30.78 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2jxb n ASP 45 N -2.46 0.77 0.07 1.08 5.68 -1.26 -4.02 116.55 116.41 2jxb n ASP 45 Ca 0.15 0.32 0.03 0.00 -0.50 0.00 0.00 54.79 54.79 2jxb n ASP 45 Cb 0.55 0.45 -0.04 0.00 -1.14 0.00 0.00 41.12 40.95 2jxb n ASP 45 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2jxb h GLN 46 N 0.00 0.00 -7.42 0.11 4.20 -1.97 -3.47 115.11 106.55 2jxb h GLN 46 Ca -0.09 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.15 2jxb h GLN 46 Cb 1.30 0.00 0.08 0.00 0.30 0.00 0.00 27.48 29.17 2jxb h GLN 46 CO 0.02 0.27 0.31 -1.21 -0.67 0.00 0.00 178.83 177.55 2jxb s GLU 47 N -3.02 2.22 0.21 1.46 2.02 -1.26 -2.17 118.70 118.16 2jxb s GLU 47 Ca -0.01 -0.03 0.03 0.00 0.02 0.00 0.00 54.97 54.98 2jxb s GLU 47 Cb 0.08 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.18 2jxb s GLU 47 CO 0.79 -1.32 -0.00 -0.51 0.02 0.00 0.00 175.26 174.24 2jxb s LEU 48 N -5.36 2.16 -0.14 1.80 1.43 -0.65 -4.61 118.68 113.31 2jxb s LEU 48 Ca 0.60 -1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 2jxb s LEU 48 Cb -0.11 -0.19 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 2jxb s LEU 48 CO 0.47 -0.53 0.48 -0.62 0.23 0.00 0.00 176.35 176.38 2jxb s ASP 49 N -3.26 6.64 0.08 2.29 -1.08 -1.26 -3.78 116.67 116.30 2jxb s ASP 49 Ca 0.27 0.77 0.08 0.00 -0.52 0.00 0.00 52.55 53.15 2jxb s ASP 49 Cb 0.06 -2.28 -0.04 0.00 -1.46 0.00 0.00 42.92 39.20 2jxb s ASP 49 CO 0.07 -0.04 -0.20 0.27 0.52 0.00 0.00 175.17 175.79 2jxb s ILE 50 N 0.86 2.71 0.34 4.11 -4.36 -0.48 -4.94 121.20 119.44 2jxb s ILE 50 Ca 0.25 -1.40 0.08 0.00 -0.26 0.00 0.00 60.65 59.32 2jxb s ILE 50 Cb -0.15 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 2jxb s ILE 50 CO 0.10 0.21 0.21 -0.75 0.24 0.00 0.00 174.94 174.95 2jxb s LYS 51 N -1.80 2.50 0.34 0.37 2.20 -1.26 -0.77 119.74 121.32 2jxb s LYS 51 Ca 0.16 -1.47 -0.28 0.00 -0.36 0.00 0.00 55.97 54.02 2jxb s LYS 51 Cb -0.10 -2.28 -0.10 0.00 -1.51 0.00 0.00 37.83 33.83 2jxb s LYS 51 CO 0.07 0.08 1.31 -1.59 -0.36 0.00 0.00 175.35 174.86 2jxb s LYS 52 N -3.91 4.31 -1.27 4.03 -2.85 -1.21 -2.20 119.74 116.64 2jxb s LYS 52 Ca 0.39 2.21 0.00 0.00 -1.00 0.00 0.00 55.97 57.58 2jxb s LYS 52 Cb -0.03 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 2jxb s LYS 52 CO 0.24 -0.23 0.00 -1.71 0.10 0.00 0.00 175.35 173.76 2jxb n ASN 53 N 0.71 -5.24 -4.71 0.03 5.15 -0.79 -4.95 115.26 105.46 2jxb n ASN 53 Ca 0.00 0.30 -0.41 0.00 -0.60 0.00 0.00 54.58 53.87 2jxb n ASN 53 Cb 0.42 -3.80 -0.04 0.00 -0.53 0.00 0.00 39.78 35.83 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 -2.91 4.45 0.05 1.20 2.56 -0.93 -4.83 118.70 118.28 2jxb s GLU 54 Ca 0.00 1.05 0.04 0.00 0.00 0.00 0.00 54.97 56.06 2jxb s GLU 54 Cb 0.00 -3.47 -0.04 0.00 2.00 0.00 0.00 34.13 32.62 2jxb s GLU 54 CO 0.00 -0.04 -0.02 -0.98 -0.56 0.00 0.00 175.26 173.66 2jxb s ARG 55 N 1.10 2.59 0.34 4.30 3.03 -1.26 -0.16 118.95 128.88 2jxb s ARG 55 Ca 0.42 -0.76 -0.01 0.00 2.03 0.00 0.00 55.73 57.40 2jxb s ARG 55 Cb -0.18 -2.55 -0.00 0.00 -1.03 0.00 0.00 34.95 31.18 2jxb s ARG 55 CO 0.20 0.57 0.44 -0.51 -1.13 0.00 0.00 175.30 174.87 2jxb s LEU 56 N -1.91 1.09 -0.39 -1.89 1.02 -0.79 -4.85 118.68 110.96 2jxb s LEU 56 Ca 0.22 -1.51 -0.18 0.00 0.02 0.00 0.00 54.13 52.68 2jxb s LEU 56 Cb -0.11 1.33 0.01 0.00 0.02 0.00 0.00 46.19 47.44 2jxb s LEU 56 CO 0.14 -1.25 0.52 0.26 0.02 0.00 0.00 176.35 176.03 2jxb s TRP 57 N -3.15 3.15 0.04 0.29 0.51 -0.74 -2.38 118.94 116.65 2jxb s TRP 57 Ca 0.32 -0.02 -0.30 0.00 -2.12 0.00 0.00 56.10 53.97 2jxb s TRP 57 Cb 0.00 -3.02 -0.07 0.00 -0.81 0.00 0.00 33.47 29.57 2jxb s TRP 57 CO 0.21 -0.66 1.58 -0.51 -0.51 0.00 0.00 176.95 177.05 2jxb s LEU 58 N 2.43 4.35 0.00 2.99 1.43 0.88 -0.30 118.68 130.45 2jxb s LEU 58 Ca 0.18 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2jxb s LEU 58 Cb -0.16 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2jxb s LEU 58 CO 0.15 -0.84 0.00 0.18 0.23 0.00 0.00 176.35 176.07 2jxb n LEU 59 N 5.67 0.00 -3.73 1.79 4.77 0.17 -4.30 117.00 121.37 2jxb n LEU 59 Ca 0.15 0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.87 2jxb n LEU 59 Cb 0.42 -0.46 -0.17 0.00 -2.33 0.00 0.00 43.42 40.88 2jxb n LEU 59 CO 0.61 -0.46 -0.37 -1.81 -1.33 0.00 0.00 177.39 174.03 2jxb s ASP 60 N -3.77 2.80 -0.70 -1.43 1.11 -1.07 -5.00 116.67 108.61 2jxb s ASP 60 Ca 0.00 -0.77 0.05 0.00 0.18 0.00 0.00 52.55 52.01 2jxb s ASP 60 Cb 0.00 -0.57 0.18 0.00 1.07 0.00 0.00 42.92 43.60 2jxb s ASP 60 CO 0.00 -0.30 0.53 -0.90 1.18 0.00 0.00 175.17 175.68 2jxb n ASP 61 N 5.06 3.09 -0.06 0.27 5.68 -1.26 -2.05 116.55 127.28 2jxb n ASP 61 Ca -0.09 -3.24 -0.14 0.00 -0.50 0.00 0.00 54.79 50.83 2jxb n ASP 61 Cb 0.47 -0.75 -0.05 0.00 -1.14 0.00 0.00 41.12 39.66 2jxb n ASP 61 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2jxb n SER 62 N 1.82 0.96 -4.47 -1.12 3.41 -1.26 -5.04 113.62 107.93 2jxb n SER 62 Ca 0.21 0.15 -0.26 0.00 -0.26 0.00 0.00 58.87 58.71 2jxb n SER 62 Cb 0.36 -0.37 0.14 0.00 -0.26 0.00 0.00 64.21 64.07 2jxb n SER 62 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jxb s LYS 63 N -2.24 1.28 0.33 4.33 1.02 -1.26 -4.95 119.74 118.25 2jxb s LYS 63 Ca -0.18 -0.84 0.11 0.00 0.02 0.00 0.00 55.97 55.09 2jxb s LYS 63 Cb 0.07 -2.14 0.96 0.00 -0.52 0.00 0.00 37.83 36.20 2jxb s LYS 63 CO 0.23 -1.82 1.71 0.00 -0.92 0.00 0.00 175.35 174.54 2jxb h THR 64 N -0.96 0.45 -2.99 2.17 1.03 -1.93 -3.39 112.91 107.29 2jxb h THR 64 Ca -0.39 -0.17 -0.62 0.00 -0.01 0.00 0.00 66.41 65.22 2jxb h THR 64 Cb 1.25 -0.08 -0.06 0.00 -1.07 0.00 0.00 68.15 68.19 2jxb h THR 64 CO 0.40 0.09 -0.26 0.26 -0.01 0.00 0.00 175.52 175.99 2jxb s TRP 65 N -5.73 3.67 0.14 0.00 0.52 -1.26 -2.43 118.94 113.85 2jxb s TRP 65 Ca -0.10 0.86 0.07 0.00 0.02 0.00 0.00 56.10 56.95 2jxb s TRP 65 Cb 0.28 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 2jxb s TRP 65 CO 0.79 0.59 -0.06 -1.58 0.02 0.00 0.00 176.95 176.72 2jxb s TRP 66 N -0.81 2.77 -0.17 -1.98 0.51 -0.54 -4.51 118.94 114.21 2jxb s TRP 66 Ca 0.21 -0.15 -0.01 0.00 -2.12 0.00 0.00 56.10 54.03 2jxb s TRP 66 Cb -0.15 -1.39 -0.00 0.00 -0.81 0.00 0.00 33.47 31.11 2jxb s TRP 66 CO 0.11 0.48 -0.12 0.50 -0.51 0.00 0.00 176.95 177.41 2jxb s ARG 67 N -2.61 3.29 0.38 4.98 3.52 -0.87 -1.77 118.95 125.87 2jxb s ARG 67 Ca 0.25 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 55.18 2jxb s ARG 67 Cb -0.10 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 2jxb s ARG 67 CO 0.16 -0.03 0.08 0.14 -0.81 0.00 0.00 175.30 174.84 2jxb s VAL 68 N 0.97 0.97 -0.02 7.11 -7.23 -1.19 0.44 120.40 121.45 2jxb s VAL 68 Ca -0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.22 2jxb s VAL 68 Cb -0.15 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2jxb s VAL 68 CO -0.01 0.00 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.94 2jxb s ARG 69 N -3.82 2.18 0.68 4.82 3.52 0.59 -3.42 118.95 123.51 2jxb s ARG 69 Ca 0.29 -0.89 -0.07 0.00 -0.13 0.00 0.00 55.73 54.93 2jxb s ARG 69 Cb 0.06 -2.11 0.05 0.00 -1.56 0.00 0.00 34.95 31.38 2jxb s ARG 69 CO 0.14 0.57 1.00 1.21 -0.81 0.00 0.00 175.30 177.41 2jxb s ASN 70 N -0.68 5.02 0.49 -2.12 2.47 0.76 -1.79 114.94 119.10 2jxb s ASN 70 Ca 0.10 0.56 0.31 0.00 0.42 0.00 0.00 52.86 54.26 2jxb s ASN 70 Cb -0.10 -1.29 1.22 0.00 -1.45 0.00 0.00 41.25 39.62 2jxb s ASN 70 CO -0.00 -1.47 1.91 0.00 -3.72 0.00 0.00 177.10 173.82 2jxb h ALA 71 N -0.52 1.00 -0.53 1.71 0.00 -1.88 -2.72 119.26 116.31 2jxb h ALA 71 Ca -0.45 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 2jxb h ALA 71 Cb 1.30 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 2jxb h ALA 71 CO 0.61 0.00 0.18 0.00 0.00 0.00 0.00 179.25 180.04 2jxb n ALA 72 N -2.04 3.97 -1.46 0.00 0.00 -1.26 -4.85 120.51 114.87 2jxb n ALA 72 Ca 0.01 -1.65 -0.14 0.00 0.00 0.00 0.00 53.44 51.67 2jxb n ALA 72 Cb 0.32 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 0.02 -4.65 -4.88 0.00 5.03 -1.03 -4.99 115.26 104.77 2jxb n ASN 73 Ca 0.29 0.32 -0.30 0.00 0.87 0.00 0.00 54.58 55.76 2jxb n ASN 73 Cb 1.09 -3.41 -0.03 0.00 -1.02 0.00 0.00 39.78 36.41 2jxb n ASN 73 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2jxb s ARG 74 N -3.28 3.76 -0.01 3.52 6.06 -1.25 -4.86 118.95 122.90 2jxb s ARG 74 Ca 0.00 0.47 0.01 0.00 -2.50 0.00 0.00 55.73 53.71 2jxb s ARG 74 Cb 0.00 -2.38 -0.00 0.00 0.06 0.00 0.00 34.95 32.63 2jxb s ARG 74 CO 0.00 -0.06 -0.04 0.95 -2.50 0.00 0.00 175.30 173.65 2jxb s THR 75 N -2.41 0.35 0.07 4.11 -4.23 -1.26 -0.17 115.64 112.09 2jxb s THR 75 Ca 0.51 -0.17 -0.28 0.00 -1.18 0.00 0.00 61.69 60.58 2jxb s THR 75 Cb -0.10 -0.31 0.09 0.00 1.34 0.00 0.00 72.50 73.52 2jxb s THR 75 CO 0.33 0.11 1.12 -0.83 -0.54 0.00 0.00 174.62 174.80 2jxb s GLY 76 N 0.01 -0.32 0.19 3.99 0.00 -1.22 -4.91 107.32 105.06 2jxb s GLY 76 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 44.72 45.17 2jxb s GLY 76 CO -0.00 0.06 0.27 -0.19 0.00 0.00 0.00 173.10 173.24 2jxb s TYR 77 N -2.87 3.37 -0.06 1.90 2.02 -0.92 -3.19 117.35 117.60 2jxb s TYR 77 Ca 0.13 0.02 -0.22 0.00 -0.37 0.00 0.00 57.07 56.64 2jxb s TYR 77 Cb 0.02 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 40.04 2jxb s TYR 77 CO -0.01 0.49 0.49 0.14 -1.57 0.00 0.00 175.55 175.09 2jxb s VAL 78 N -1.86 0.03 -0.03 0.71 -7.23 -0.73 -1.64 120.40 109.65 2jxb s VAL 78 Ca 0.34 -0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 2jxb s VAL 78 Cb -0.10 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 2jxb s VAL 78 CO 0.27 -0.12 1.48 -2.16 -0.31 0.00 0.00 175.10 174.26 2jxb s PRO 79 N -1.03 4.24 0.62 4.82 0.04 -1.26 -1.47 135.00 140.96 2jxb s PRO 79 Ca -0.10 2.02 0.39 0.00 0.04 0.00 0.00 61.00 63.35 2jxb s PRO 79 Cb -0.03 -3.71 2.12 0.00 0.04 0.00 0.00 34.50 32.92 2jxb s PRO 79 CO 0.06 -0.68 2.19 1.03 0.04 0.00 0.00 177.00 179.64 2jxb h SER 80 N 8.39 0.00 0.37 6.66 0.87 -1.81 -0.03 113.55 128.01 2jxb h SER 80 Ca -0.37 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.08 2jxb h SER 80 Cb 1.17 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2jxb h SER 80 CO 0.93 0.00 -0.47 0.78 -0.53 0.00 0.00 176.83 177.54 2jxb h ASN 81 N 0.00 0.13 -0.21 6.23 4.21 -1.90 -2.67 115.58 121.37 2jxb h ASN 81 Ca 0.00 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.45 2jxb h ASN 81 Cb 0.12 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 2jxb h ASN 81 CO 0.00 0.58 0.00 -1.22 -1.29 0.00 0.00 177.43 175.50 2jxb n TYR 82 N -3.98 0.26 -4.42 1.19 4.02 -0.04 -4.93 117.16 109.27 2jxb n TYR 82 Ca -0.02 -0.13 -0.22 0.00 -0.01 0.00 0.00 57.90 57.53 2jxb n TYR 82 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.73 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 2.11 -0.30 -0.72 0.11 -1.01 -0.70 120.40 118.16 2jxb s VAL 83 Ca 0.35 -2.30 -0.03 0.00 -2.93 0.00 0.00 61.98 57.06 2jxb s VAL 83 Cb 0.21 -2.21 0.18 0.00 -1.53 0.00 0.00 36.38 33.02 2jxb s VAL 83 CO 0.30 -0.47 0.62 -0.70 -3.33 0.00 0.00 175.10 171.52 2jxb s GLU 84 N -3.58 0.56 0.71 1.54 2.12 0.13 -4.71 118.70 115.47 2jxb s GLU 84 Ca 0.27 1.07 -0.11 0.00 0.36 0.00 0.00 54.97 56.56 2jxb s GLU 84 Cb -0.02 0.61 0.01 0.00 0.26 0.00 0.00 34.13 34.99 2jxb s GLU 84 CO 0.11 -0.53 1.07 -0.98 -0.54 0.00 0.00 175.26 174.39 2jxb s ARG 85 N 2.87 2.84 0.00 4.30 1.04 -1.26 -2.18 118.95 126.55 2jxb s ARG 85 Ca 0.15 0.83 0.16 0.00 -1.04 0.00 0.00 55.73 55.84 2jxb s ARG 85 Cb -0.14 -1.99 0.97 0.00 -2.04 0.00 0.00 34.95 31.75 2jxb s ARG 85 CO -0.20 -1.13 1.38 1.17 -0.04 0.00 0.00 175.30 176.47