#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxb n MET 2 N 0.00 -2.24 0.00 1.57 1.56 -1.26 -4.94 117.12 111.81 2jxb n MET 2 Ca 0.00 1.95 0.11 0.00 -0.27 0.00 0.00 57.70 59.49 2jxb n MET 2 Cb 0.00 -5.02 -0.11 0.00 2.15 0.00 0.00 33.22 30.24 2jxb n MET 2 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2jxb n LYS 3 N -0.40 0.25 -3.55 2.12 5.02 -1.26 -5.00 118.16 115.34 2jxb n LYS 3 Ca 0.07 -0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 2jxb n LYS 3 Cb 0.50 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 2jxb n LYS 3 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2jxb s GLU 4 N -3.19 1.16 0.26 1.97 -6.30 -1.26 -5.18 118.70 106.15 2jxb s GLU 4 Ca 0.02 -0.49 0.05 0.00 -2.50 0.00 0.00 54.97 52.05 2jxb s GLU 4 Cb 0.15 0.49 -0.03 0.00 0.00 0.00 0.00 34.13 34.74 2jxb s GLU 4 CO 0.87 -0.51 0.38 1.03 0.02 0.00 0.00 175.26 177.05 2jxb s ARG 5 N -3.47 3.40 0.96 4.30 0.52 -1.26 -5.11 118.95 118.29 2jxb s ARG 5 Ca 0.05 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.36 2jxb s ARG 5 Cb -0.02 -2.87 0.17 0.00 0.52 0.00 0.00 34.95 32.75 2jxb s ARG 5 CO -0.07 0.37 1.09 -1.25 0.02 0.00 0.00 175.30 175.46 2jxb s PRO 6 N -4.02 0.74 0.97 3.54 0.04 -1.26 -5.04 135.00 129.98 2jxb s PRO 6 Ca 0.36 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 2jxb s PRO 6 Cb -0.09 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.86 2jxb s PRO 6 CO 0.30 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.63 2jxb s PRO 7 N -4.95 0.64 1.18 0.56 0.04 -1.26 -5.05 135.00 126.15 2jxb s PRO 7 Ca 0.65 0.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.08 2jxb s PRO 7 Cb -0.18 -1.75 0.29 0.00 0.04 0.00 0.00 34.50 32.90 2jxb s PRO 7 CO 0.57 -2.61 1.05 -0.35 0.04 0.00 0.00 177.00 175.70 2jxb n PRO 8 N -4.10 -3.08 -1.67 0.56 -0.04 -1.26 -4.96 135.00 120.46 2jxb n PRO 8 Ca 0.06 -1.68 -0.40 0.00 -0.04 0.00 0.00 63.50 61.44 2jxb n PRO 8 Cb 0.57 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -4.78 2.81 -1.38 0.52 0.24 -1.26 -4.81 118.33 109.68 2jxb n VAL 9 Ca 0.15 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.55 2jxb n VAL 9 Cb 0.56 -1.40 -0.06 0.00 -1.47 0.00 0.00 33.84 31.48 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 -0.18 1.47 -3.12 7.34 -0.04 -1.26 -4.53 135.00 134.67 2jxb n PRO 10 Ca 0.09 -1.99 -0.22 0.00 -0.04 0.00 0.00 63.50 61.34 2jxb n PRO 10 Cb 0.41 -3.13 0.02 0.00 -0.04 0.00 0.00 33.50 30.76 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 9.50 -5.25 -4.75 3.54 6.94 -1.26 -4.83 115.26 119.15 2jxb n ASN 11 Ca 0.48 0.04 -0.41 0.00 -0.02 0.00 0.00 54.58 54.67 2jxb n ASN 11 Cb 0.42 -1.41 -0.03 0.00 -2.36 0.00 0.00 39.78 36.40 2jxb n ASN 11 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2jxb s PRO 12 N -1.70 4.41 -0.42 -0.53 0.04 -1.26 -4.95 135.00 130.58 2jxb s PRO 12 Ca 0.22 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.42 2jxb s PRO 12 Cb -0.02 -3.17 0.37 0.00 0.04 0.00 0.00 34.50 31.72 2jxb s PRO 12 CO 0.49 -0.18 0.84 -0.40 0.04 0.00 0.00 177.00 177.80 2jxb n ASP 13 N 2.06 2.14 -0.00 6.66 5.68 -1.26 -4.82 116.55 127.01 2jxb n ASP 13 Ca 0.04 -3.20 0.06 0.00 -0.50 0.00 0.00 54.79 51.19 2jxb n ASP 13 Cb 0.43 -0.58 -0.09 0.00 -1.14 0.00 0.00 41.12 39.73 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jxb n TYR 14 N 0.04 0.00 -3.82 2.11 0.18 -1.26 -4.89 117.16 109.53 2jxb n TYR 14 Ca 0.25 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.67 2jxb n TYR 14 Cb 0.61 -0.25 -0.13 0.00 -0.38 0.00 0.00 39.34 39.20 2jxb n TYR 14 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2jxb s ASN 15 N -3.27 5.13 0.00 9.48 0.02 -1.26 -4.79 114.94 120.25 2jxb s ASN 15 Ca -0.03 -1.50 0.00 0.00 -1.02 0.00 0.00 52.86 50.31 2jxb s ASN 15 Cb 0.08 -1.79 0.00 0.00 0.02 0.00 0.00 41.25 39.56 2jxb s ASN 15 CO 0.51 -0.38 0.00 -0.24 0.02 0.00 0.00 177.10 177.02 2jxb n SER 16 N 4.66 0.00 -4.94 -1.22 2.88 -1.26 -5.13 113.62 108.61 2jxb n SER 16 Ca -0.09 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.17 2jxb n SER 16 Cb 0.43 0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 64.23 2jxb n SER 16 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jxb s LEU 17 N -4.83 4.34 0.16 2.46 1.43 -1.26 -5.12 118.68 115.86 2jxb s LEU 17 Ca 0.00 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2jxb s LEU 17 Cb 0.00 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 2jxb s LEU 17 CO 0.00 0.08 0.17 -1.59 0.23 0.00 0.00 176.35 175.24 2jxb s LYS 18 N -3.04 1.09 -1.40 1.70 0.00 -1.26 -4.90 119.74 111.93 2jxb s LYS 18 Ca 0.35 -1.38 -0.06 0.00 0.00 0.00 0.00 55.97 54.88 2jxb s LYS 18 Cb -0.12 0.30 0.04 0.00 0.00 0.00 0.00 37.83 38.06 2jxb s LYS 18 CO 0.28 -0.36 0.85 1.63 0.00 0.00 0.00 175.35 177.75 2jxb n LYS 19 N -0.18 -5.36 -3.69 1.78 5.02 -1.26 -4.96 118.16 109.51 2jxb n LYS 19 Ca -0.04 0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 56.50 2jxb n LYS 19 Cb 0.64 -5.35 -0.06 0.00 -0.02 0.00 0.00 35.03 30.23 2jxb n LYS 19 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jxb s GLY 20 N -3.87 2.26 -0.05 0.72 0.00 -1.26 -4.99 107.32 100.13 2jxb s GLY 20 Ca 0.31 -0.48 -0.05 0.00 0.00 0.00 0.00 44.72 44.50 2jxb s GLY 20 CO 0.81 -0.03 -0.11 -1.14 0.00 0.00 0.00 173.10 172.63 2jxb n SER 21 N 2.32 0.93 -3.71 1.64 3.41 -1.26 -4.80 113.62 112.15 2jxb n SER 21 Ca -0.16 0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 2jxb n SER 21 Cb 0.53 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2jxb n SER 21 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jxb n LEU 22 N -3.56 7.13 -0.04 1.04 4.32 -1.26 -4.36 117.00 120.26 2jxb n LEU 22 Ca -0.12 -4.49 -0.04 0.00 -0.02 0.00 0.00 56.01 51.34 2jxb n LEU 22 Cb 0.43 -1.53 -0.07 0.00 -1.62 0.00 0.00 43.42 40.63 2jxb n LEU 22 CO 0.03 1.46 -0.79 0.55 -1.22 0.00 0.00 177.39 177.42 2jxb n VAL 23 N 3.69 0.60 -2.00 4.08 3.14 -1.26 -4.99 118.33 121.58 2jxb n VAL 23 Ca 0.51 -0.39 -0.42 0.00 -2.96 0.00 0.00 64.34 61.08 2jxb n VAL 23 Cb 0.34 -0.68 -0.03 0.00 -1.06 0.00 0.00 33.84 32.42 2jxb n VAL 23 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2jxb s LYS 24 N -2.26 4.24 0.05 1.45 1.02 -1.26 -5.00 119.74 117.97 2jxb s LYS 24 Ca -0.05 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.23 2jxb s LYS 24 Cb 0.03 -3.18 -0.00 0.00 -0.52 0.00 0.00 37.83 34.16 2jxb s LYS 24 CO 0.39 -0.56 0.01 -1.71 -0.92 0.00 0.00 175.35 172.57 2jxb n ASN 25 N 3.90 1.20 -4.57 2.83 5.15 -1.26 -5.14 115.26 117.37 2jxb n ASN 25 Ca 0.13 -1.23 -0.31 0.00 -0.60 0.00 0.00 54.58 52.56 2jxb n ASN 25 Cb 0.39 0.10 0.17 0.00 -0.53 0.00 0.00 39.78 39.91 2jxb n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jxb n LEU 26 N 0.00 1.72 -3.61 1.20 -0.00 -1.26 -5.04 117.00 110.01 2jxb n LEU 26 Ca -0.01 0.30 -0.14 0.00 -0.00 0.00 0.00 56.01 56.16 2jxb n LEU 26 Cb 0.07 -1.37 -0.13 0.00 -0.00 0.00 0.00 43.42 41.99 2jxb n LEU 26 CO 0.04 -2.67 -0.14 -2.28 -0.00 0.00 0.00 177.39 172.33 2jxb s HIS 27 N -2.54 -0.42 0.18 1.47 2.46 -1.26 -5.15 115.29 110.03 2jxb s HIS 27 Ca 0.64 0.81 -0.05 0.00 0.47 0.00 0.00 55.06 56.94 2jxb s HIS 27 Cb -0.22 -0.10 -0.05 0.00 -0.13 0.00 0.00 32.58 32.07 2jxb s HIS 27 CO 0.61 -0.42 0.42 1.41 -2.47 0.00 0.00 174.74 174.28 2jxb s MET 28 N 2.41 3.62 0.81 2.88 1.75 -1.26 -5.07 119.30 124.44 2jxb s MET 28 Ca 0.03 -0.08 -0.12 0.00 -1.25 0.00 0.00 55.69 54.27 2jxb s MET 28 Cb -0.13 -2.80 0.09 0.00 2.84 0.00 0.00 34.83 34.82 2jxb s MET 28 CO -0.10 0.41 1.16 -0.08 -0.65 0.00 0.00 175.02 175.77 2jxb s THR 29 N -1.76 2.35 -0.27 10.11 -1.32 -1.26 -5.04 115.64 118.45 2jxb s THR 29 Ca 0.42 0.14 -0.28 0.00 -1.21 0.00 0.00 61.69 60.76 2jxb s THR 29 Cb -0.12 -2.46 0.18 0.00 -1.51 0.00 0.00 72.50 68.59 2jxb s THR 29 CO 0.26 -0.13 1.32 -1.61 -2.21 0.00 0.00 174.62 172.25 2jxb s GLU 30 N -4.36 0.15 -0.43 7.08 2.02 -1.26 -5.10 118.70 116.80 2jxb s GLU 30 Ca 0.69 0.09 0.08 0.00 0.02 0.00 0.00 54.97 55.85 2jxb s GLU 30 Cb -0.25 0.07 0.28 0.00 0.10 0.00 0.00 34.13 34.33 2jxb s GLU 30 CO 0.52 -0.04 0.62 0.39 0.02 0.00 0.00 175.26 176.77 2jxb n GLU 31 N 1.01 1.17 -4.16 1.61 4.71 -1.26 -5.05 120.64 118.67 2jxb n GLU 31 Ca -0.05 -3.56 -0.24 0.00 -0.01 0.00 0.00 57.16 53.29 2jxb n GLU 31 Cb 0.58 -1.53 -0.06 0.00 -1.01 0.00 0.00 31.44 29.42 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 -1.81 4.09 -0.01 2.62 1.01 -1.26 -5.02 120.40 120.01 2jxb s VAL 32 Ca 0.38 -1.41 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 2jxb s VAL 32 Cb 0.21 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2jxb s VAL 32 CO -0.09 -0.22 0.03 -0.63 0.00 0.00 0.00 175.10 174.18 2jxb s ILE 33 N -1.95 -0.03 0.29 2.22 1.01 -1.26 -0.05 121.20 121.43 2jxb s ILE 33 Ca 0.31 0.11 0.10 0.00 0.00 0.00 0.00 60.65 61.17 2jxb s ILE 33 Cb -0.09 -0.06 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 2jxb s ILE 33 CO 0.22 0.05 -0.03 0.54 0.00 0.00 0.00 174.94 175.72 2jxb s VAL 34 N 0.58 3.10 -0.08 2.92 0.11 -1.00 -4.15 120.40 121.87 2jxb s VAL 34 Ca -0.05 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.04 2jxb s VAL 34 Cb -0.07 -2.75 0.00 0.00 -1.53 0.00 0.00 36.38 32.04 2jxb s VAL 34 CO -0.02 -0.33 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.60 2jxb s ILE 35 N -2.40 1.67 -0.44 7.04 1.01 -0.90 -1.84 121.20 125.34 2jxb s ILE 35 Ca 0.32 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 2jxb s ILE 35 Cb -0.05 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.97 2jxb s ILE 35 CO 0.19 0.47 1.46 0.00 0.00 0.00 0.00 174.94 177.06 2jxb s ALA 36 N 0.45 2.95 0.48 9.38 0.00 0.77 0.17 121.76 135.96 2jxb s ALA 36 Ca -0.16 -0.25 0.19 0.00 0.00 0.00 0.00 51.96 51.74 2jxb s ALA 36 Cb -0.17 -3.99 1.21 0.00 0.00 0.00 0.00 23.12 20.17 2jxb s ALA 36 CO 0.07 -2.58 1.99 0.87 0.00 0.00 0.00 175.76 176.10 2jxb h LYS 37 N 11.11 0.20 0.00 0.00 1.57 -1.31 -2.61 116.57 125.53 2jxb h LYS 37 Ca -0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2jxb h LYS 37 Cb 1.11 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2jxb h LYS 37 CO 1.10 0.13 0.00 0.91 -0.57 0.00 0.00 179.45 181.03 2jxb n TRP 38 N -4.44 -0.36 -4.18 -1.35 7.02 -1.20 -4.59 117.44 108.34 2jxb n TRP 38 Ca 0.10 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.23 2jxb n TRP 38 Cb 0.48 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.26 2jxb n TRP 38 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2jxb s ASP 39 N -0.72 5.19 -0.01 -0.99 3.84 -1.26 -3.47 116.67 119.24 2jxb s ASP 39 Ca 0.00 -0.04 0.06 0.00 -0.00 0.00 0.00 52.55 52.57 2jxb s ASP 39 Cb 0.00 -1.87 -0.02 0.00 -1.38 0.00 0.00 42.92 39.65 2jxb s ASP 39 CO 0.00 0.16 -0.19 -0.47 -0.00 0.00 0.00 175.17 174.67 2jxb s TYR 40 N 0.45 1.68 -0.17 2.11 5.04 0.43 -4.93 117.35 121.97 2jxb s TYR 40 Ca -0.00 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.13 2jxb s TYR 40 Cb -0.13 -1.07 -0.04 0.00 0.35 0.00 0.00 41.96 41.07 2jxb s TYR 40 CO 0.02 -0.01 0.45 0.99 -1.34 0.00 0.00 175.55 175.66 2jxb s THR 41 N -0.50 5.18 -0.58 4.34 2.01 -1.26 -2.20 115.64 122.63 2jxb s THR 41 Ca 0.07 0.84 -0.27 0.00 0.31 0.00 0.00 61.69 62.64 2jxb s THR 41 Cb -0.07 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 2jxb s THR 41 CO -0.00 0.27 2.46 0.00 -0.69 0.00 0.00 174.62 176.65 2jxb n ALA 42 N 4.23 0.73 0.19 7.40 0.00 -1.26 -4.78 120.51 127.01 2jxb n ALA 42 Ca -0.07 -0.77 0.05 0.00 0.00 0.00 0.00 53.44 52.65 2jxb n ALA 42 Cb 0.51 -3.00 0.47 0.00 0.00 0.00 0.00 19.45 17.43 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 17.80 0.08 -4.62 0.00 -0.00 -1.93 -3.44 115.11 123.00 2jxb h GLN 43 Ca -0.21 -0.02 -0.22 0.00 -0.00 0.00 0.00 58.65 58.20 2jxb h GLN 43 Cb 1.28 -0.01 -0.16 0.00 -0.00 0.00 0.00 27.48 28.59 2jxb h GLN 43 CO 1.19 0.24 -0.70 -0.65 -0.00 0.00 0.00 178.83 178.91 2jxb s GLN 44 N -4.69 0.78 0.62 0.06 -0.21 -1.26 -5.02 119.66 109.94 2jxb s GLN 44 Ca -0.04 -1.25 0.34 0.00 0.02 0.00 0.00 55.36 54.42 2jxb s GLN 44 Cb 0.16 -0.19 1.91 0.00 1.00 0.00 0.00 33.01 35.89 2jxb s GLN 44 CO 0.71 -0.01 2.19 -0.44 -2.12 0.00 0.00 175.29 175.61 2jxb h ASP 45 N 3.18 0.00 1.07 5.90 3.45 -2.03 0.98 116.42 128.97 2jxb h ASP 45 Ca -0.35 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 56.97 2jxb h ASP 45 Cb 1.17 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.92 2jxb h ASP 45 CO 0.62 0.00 -0.65 1.56 -1.57 0.00 0.00 179.24 179.20 2jxb h GLN 46 N 0.00 0.00 -7.34 3.56 4.20 -1.96 -3.45 115.11 110.11 2jxb h GLN 46 Ca 0.03 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.25 2jxb h GLN 46 Cb 0.28 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.12 2jxb h GLN 46 CO -0.00 0.65 0.33 -1.21 -0.67 0.00 0.00 178.83 177.93 2jxb s GLU 47 N -3.12 2.94 -0.07 1.46 0.41 0.34 -3.20 118.70 117.46 2jxb s GLU 47 Ca 0.01 0.33 0.05 0.00 -0.41 0.00 0.00 54.97 54.95 2jxb s GLU 47 Cb 0.10 -2.11 -0.01 0.00 -1.78 0.00 0.00 34.13 30.32 2jxb s GLU 47 CO 0.76 -0.88 -0.22 -1.17 -0.49 0.00 0.00 175.26 173.26 2jxb s LEU 48 N -5.22 2.26 -0.38 1.80 2.96 0.03 -4.63 118.68 115.50 2jxb s LEU 48 Ca 0.56 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2jxb s LEU 48 Cb -0.11 -1.43 0.02 0.00 0.50 0.00 0.00 46.19 45.17 2jxb s LEU 48 CO 0.50 0.25 1.14 -1.81 -1.32 0.00 0.00 176.35 175.10 2jxb s ASP 49 N -0.16 6.76 0.01 3.68 1.01 -1.26 -4.48 116.67 122.23 2jxb s ASP 49 Ca -0.03 0.83 0.02 0.00 0.71 0.00 0.00 52.55 54.08 2jxb s ASP 49 Cb -0.14 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2jxb s ASP 49 CO 0.04 -1.07 0.01 0.27 0.21 0.00 0.00 175.17 174.63 2jxb s ILE 50 N 4.13 4.23 0.21 0.77 -4.36 -0.93 -4.96 121.20 120.27 2jxb s ILE 50 Ca 0.48 -0.62 0.08 0.00 -0.26 0.00 0.00 60.65 60.34 2jxb s ILE 50 Cb -0.11 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 2jxb s ILE 50 CO 0.23 0.34 -0.00 -0.54 0.24 0.00 0.00 174.94 175.21 2jxb s LYS 51 N -1.68 2.35 0.45 0.37 1.02 -1.26 -0.42 119.74 120.56 2jxb s LYS 51 Ca 0.21 -1.22 -0.23 0.00 0.02 0.00 0.00 55.97 54.75 2jxb s LYS 51 Cb -0.12 -2.28 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 2jxb s LYS 51 CO 0.12 0.42 0.92 0.36 -0.92 0.00 0.00 175.35 176.25 2jxb n LYS 52 N -0.39 1.16 -3.76 1.68 0.00 -1.23 -2.68 118.16 112.95 2jxb n LYS 52 Ca -0.09 0.42 -0.29 0.00 -0.00 0.00 0.00 58.31 58.35 2jxb n LYS 52 Cb 0.56 -1.97 0.02 0.00 -0.00 0.00 0.00 35.03 33.65 2jxb n LYS 52 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jxb n ASN 53 N 0.45 -3.50 -4.15 -5.58 5.15 -0.98 -4.96 115.26 101.69 2jxb n ASN 53 Ca 0.10 -1.00 -0.29 0.00 -0.60 0.00 0.00 54.58 52.80 2jxb n ASN 53 Cb 0.40 -3.35 -0.17 0.00 -0.53 0.00 0.00 39.78 36.14 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 -6.14 2.48 0.04 1.20 2.56 -1.09 -4.94 118.70 112.80 2jxb s GLU 54 Ca 0.30 -0.70 0.02 0.00 0.00 0.00 0.00 54.97 54.59 2jxb s GLU 54 Cb -0.11 -1.94 -0.04 0.00 2.00 0.00 0.00 34.13 34.05 2jxb s GLU 54 CO 0.86 0.14 0.03 -0.98 -0.56 0.00 0.00 175.26 174.76 2jxb s ARG 55 N 0.41 2.80 0.33 4.30 1.70 -1.26 -0.17 118.95 127.05 2jxb s ARG 55 Ca -0.16 -0.67 -0.02 0.00 -0.47 0.00 0.00 55.73 54.41 2jxb s ARG 55 Cb -0.17 -2.68 -0.00 0.00 -0.57 0.00 0.00 34.95 31.53 2jxb s ARG 55 CO 0.06 0.59 0.44 -0.51 -1.08 0.00 0.00 175.30 174.80 2jxb s LEU 56 N -1.99 1.04 -0.41 -1.89 1.02 -0.77 -4.90 118.68 110.78 2jxb s LEU 56 Ca 0.24 -1.47 -0.19 0.00 0.02 0.00 0.00 54.13 52.74 2jxb s LEU 56 Cb -0.12 1.34 0.01 0.00 0.02 0.00 0.00 46.19 47.45 2jxb s LEU 56 CO 0.16 -1.24 0.52 0.26 0.02 0.00 0.00 176.35 176.07 2jxb s TRP 57 N -3.22 3.14 0.02 0.29 0.51 0.14 -2.37 118.94 117.44 2jxb s TRP 57 Ca 0.31 -0.12 -0.30 0.00 -2.12 0.00 0.00 56.10 53.88 2jxb s TRP 57 Cb 0.00 -3.05 -0.07 0.00 -0.81 0.00 0.00 33.47 29.54 2jxb s TRP 57 CO 0.20 -0.71 1.62 -0.51 -0.51 0.00 0.00 176.95 177.04 2jxb s LEU 58 N 2.43 4.35 0.00 2.99 1.43 0.93 -0.57 118.68 130.24 2jxb s LEU 58 Ca 0.17 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2jxb s LEU 58 Cb -0.16 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2jxb s LEU 58 CO 0.15 -0.88 0.00 0.18 0.23 0.00 0.00 176.35 176.04 2jxb n LEU 59 N 6.09 0.04 -3.74 1.79 4.77 0.15 -4.27 117.00 121.83 2jxb n LEU 59 Ca 0.16 0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.91 2jxb n LEU 59 Cb 0.42 -0.41 -0.17 0.00 -2.33 0.00 0.00 43.42 40.93 2jxb n LEU 59 CO 0.62 -0.41 -0.37 -1.81 -1.33 0.00 0.00 177.39 174.09 2jxb s ASP 60 N -3.42 2.65 -0.70 -1.43 -0.00 -1.11 -5.00 116.67 107.67 2jxb s ASP 60 Ca 0.00 -0.68 0.05 0.00 -0.00 0.00 0.00 52.55 51.92 2jxb s ASP 60 Cb 0.00 -0.57 0.18 0.00 -0.00 0.00 0.00 42.92 42.53 2jxb s ASP 60 CO 0.00 -0.28 0.52 -0.90 -0.00 0.00 0.00 175.17 174.50 2jxb n ASP 61 N 5.07 3.02 -0.07 0.27 5.75 -1.26 -2.08 116.55 127.26 2jxb n ASP 61 Ca -0.09 -3.22 -0.14 0.00 -0.01 0.00 0.00 54.79 51.34 2jxb n ASP 61 Cb 0.48 -0.75 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 2jxb n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jxb n SER 62 N 1.86 0.93 -4.53 -1.12 7.64 -1.26 -5.03 113.62 112.10 2jxb n SER 62 Ca 0.21 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.99 2jxb n SER 62 Cb 0.36 -0.38 0.13 0.00 -1.01 0.00 0.00 64.21 63.31 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 1.41 0.37 1.43 1.02 -1.26 -4.94 119.74 115.53 2jxb s LYS 63 Ca -0.18 -0.75 0.17 0.00 0.02 0.00 0.00 55.97 55.23 2jxb s LYS 63 Cb 0.07 -2.15 1.10 0.00 -0.52 0.00 0.00 37.83 36.33 2jxb s LYS 63 CO 0.23 -1.74 1.71 0.00 -0.92 0.00 0.00 175.35 174.63 2jxb h THR 64 N -0.91 0.41 -2.92 2.17 1.03 -1.93 -3.38 112.91 107.38 2jxb h THR 64 Ca -0.40 -0.13 -0.63 0.00 -0.01 0.00 0.00 66.41 65.24 2jxb h THR 64 Cb 1.26 -0.00 -0.07 0.00 -1.07 0.00 0.00 68.15 68.27 2jxb h THR 64 CO 0.42 0.07 -0.33 0.26 -0.01 0.00 0.00 175.52 175.93 2jxb s TRP 65 N -5.58 3.63 0.13 0.00 0.52 -1.26 -2.35 118.94 114.04 2jxb s TRP 65 Ca -0.09 0.74 0.07 0.00 0.02 0.00 0.00 56.10 56.84 2jxb s TRP 65 Cb 0.28 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2jxb s TRP 65 CO 0.80 0.61 -0.07 -1.58 0.02 0.00 0.00 176.95 176.73 2jxb s TRP 66 N -0.79 2.75 -0.17 -1.98 0.51 -0.43 -4.50 118.94 114.33 2jxb s TRP 66 Ca 0.19 -0.16 -0.02 0.00 -2.12 0.00 0.00 56.10 53.99 2jxb s TRP 66 Cb -0.14 -1.40 -0.01 0.00 -0.81 0.00 0.00 33.47 31.11 2jxb s TRP 66 CO 0.08 0.46 -0.09 0.50 -0.51 0.00 0.00 176.95 177.40 2jxb s ARG 67 N -2.48 3.40 0.31 4.98 3.52 -0.88 -1.68 118.95 126.13 2jxb s ARG 67 Ca 0.23 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2jxb s ARG 67 Cb -0.10 -2.82 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 2jxb s ARG 67 CO 0.15 0.02 0.08 0.14 -0.81 0.00 0.00 175.30 174.89 2jxb s VAL 68 N 0.87 0.88 0.02 7.11 -7.23 -1.17 0.32 120.40 121.19 2jxb s VAL 68 Ca -0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 2jxb s VAL 68 Cb -0.15 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 2jxb s VAL 68 CO 0.01 0.00 -0.20 -0.60 -0.31 0.00 0.00 175.10 174.00 2jxb s ARG 69 N -3.91 1.40 0.58 4.82 3.52 0.26 -2.48 118.95 123.13 2jxb s ARG 69 Ca 0.35 -0.84 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 2jxb s ARG 69 Cb 0.08 -1.45 0.10 0.00 -1.56 0.00 0.00 34.95 32.12 2jxb s ARG 69 CO 0.15 0.38 0.79 0.27 -0.81 0.00 0.00 175.30 176.08 2jxb n ASN 70 N 2.10 1.83 0.09 -2.12 6.94 -0.79 -0.69 115.26 122.63 2jxb n ASN 70 Ca -0.17 -2.36 0.09 0.00 -0.02 0.00 0.00 54.58 52.12 2jxb n ASN 70 Cb 0.53 -0.44 0.41 0.00 -2.36 0.00 0.00 39.78 37.92 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jxb n ALA 71 N -2.49 1.45 1.39 -2.53 0.00 -1.26 -1.68 120.51 115.39 2jxb n ALA 71 Ca -0.13 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2jxb n ALA 71 Cb 0.56 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.68 2.49 -1.26 0.00 0.00 -1.26 -4.86 120.51 113.94 2jxb n ALA 72 Ca 0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 2jxb n ALA 72 Cb 0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 0.05 -5.14 -4.86 0.00 3.02 -0.68 -4.97 115.26 102.68 2jxb n ASN 73 Ca 0.09 0.22 -0.36 0.00 -0.03 0.00 0.00 54.58 54.50 2jxb n ASN 73 Cb 0.18 -3.42 -0.06 0.00 -0.61 0.00 0.00 39.78 35.87 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 -2.55 3.76 -0.14 3.52 6.06 -1.26 -4.91 118.95 123.44 2jxb s ARG 74 Ca 0.00 0.19 0.02 0.00 -2.50 0.00 0.00 55.73 53.44 2jxb s ARG 74 Cb 0.00 -3.07 0.00 0.00 0.06 0.00 0.00 34.95 31.94 2jxb s ARG 74 CO 0.00 0.61 -0.20 0.95 -2.50 0.00 0.00 175.30 174.16 2jxb s THR 75 N -1.29 2.26 0.00 4.11 -4.23 -1.26 -1.88 115.64 113.35 2jxb s THR 75 Ca 0.29 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2jxb s THR 75 Cb -0.14 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2jxb s THR 75 CO 0.16 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 2jxb n GLY 76 N 3.95 4.09 3.48 3.99 0.00 -1.03 -5.02 105.19 114.63 2jxb n GLY 76 Ca -0.19 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.83 2.47 -0.09 1.61 2.02 -1.20 -3.05 117.35 117.28 2jxb s TYR 77 Ca 0.00 -0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.18 2jxb s TYR 77 Cb 0.00 -1.26 0.05 0.00 -0.40 0.00 0.00 41.96 40.35 2jxb s TYR 77 CO 0.00 0.44 0.54 0.14 -1.57 0.00 0.00 175.55 175.11 2jxb s VAL 78 N -1.42 0.02 -0.01 0.71 -7.23 -0.68 -0.79 120.40 111.00 2jxb s VAL 78 Ca 0.20 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 2jxb s VAL 78 Cb -0.09 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 35.96 2jxb s VAL 78 CO 0.11 -0.07 1.46 -2.16 -0.31 0.00 0.00 175.10 174.13 2jxb s PRO 79 N -0.78 4.25 0.56 4.82 0.04 -1.26 -1.31 135.00 141.32 2jxb s PRO 79 Ca -0.08 2.02 0.37 0.00 0.04 0.00 0.00 61.00 63.35 2jxb s PRO 79 Cb -0.03 -3.65 2.02 0.00 0.04 0.00 0.00 34.50 32.88 2jxb s PRO 79 CO 0.06 -0.65 2.14 0.66 0.04 0.00 0.00 177.00 179.25 2jxb h SER 80 N 8.18 0.00 0.40 6.66 4.64 -1.80 -0.41 113.55 131.22 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 -0.54 0.78 -0.87 0.00 0.00 176.83 177.12 2jxb h ASN 81 N 0.00 0.17 -0.09 4.97 4.21 -1.90 -2.80 115.58 120.13 2jxb h ASN 81 Ca 0.00 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.42 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 0.67 0.00 -1.22 -1.29 0.00 0.00 177.43 175.59 2jxb n TYR 82 N -3.92 0.09 -4.46 1.19 4.02 -0.19 -4.92 117.16 108.98 2jxb n TYR 82 Ca -0.02 -0.05 -0.23 0.00 -0.01 0.00 0.00 57.90 57.59 2jxb n TYR 82 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.78 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 -1.91 2.41 -0.30 -0.72 0.11 -1.06 -0.89 120.40 118.05 2jxb s VAL 83 Ca 0.33 -2.39 -0.04 0.00 -2.93 0.00 0.00 61.98 56.96 2jxb s VAL 83 Cb 0.20 -2.28 0.18 0.00 -1.53 0.00 0.00 36.38 32.95 2jxb s VAL 83 CO 0.31 -0.42 0.63 -0.70 -3.33 0.00 0.00 175.10 171.59 2jxb s GLU 84 N -3.52 0.56 0.70 1.54 2.12 0.13 -4.75 118.70 115.48 2jxb s GLU 84 Ca 0.29 1.10 -0.11 0.00 0.36 0.00 0.00 54.97 56.61 2jxb s GLU 84 Cb -0.05 0.63 0.01 0.00 0.26 0.00 0.00 34.13 34.98 2jxb s GLU 84 CO 0.14 -0.50 1.06 -0.98 -0.54 0.00 0.00 175.26 174.44 2jxb s ARG 85 N 2.87 2.90 0.00 4.30 1.04 -1.26 -2.12 118.95 126.68 2jxb s ARG 85 Ca 0.14 0.83 0.00 0.00 -1.04 0.00 0.00 55.73 55.66 2jxb s ARG 85 Cb -0.14 -1.99 0.00 0.00 -2.04 0.00 0.00 34.95 30.77 2jxb s ARG 85 CO -0.20 -1.10 0.00 1.17 -0.04 0.00 0.00 175.30 175.13