#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 1.37 -3.43 -0.41 3.85 -1.26 -5.10 117.12 112.14 2jxb n MET 2 Ca 0.00 -3.69 -0.38 0.00 -1.00 0.00 0.00 57.70 52.63 2jxb n MET 2 Cb 0.00 -1.65 -0.06 0.00 -1.05 0.00 0.00 33.22 30.46 2jxb n MET 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2jxb s LYS 3 N -2.05 4.00 0.73 3.17 -2.85 -1.26 -4.95 119.74 116.53 2jxb s LYS 3 Ca 0.39 0.50 0.00 0.00 -1.00 0.00 0.00 55.97 55.86 2jxb s LYS 3 Cb 0.24 -3.21 0.00 0.00 -2.06 0.00 0.00 37.83 32.79 2jxb s LYS 3 CO -0.09 0.67 0.00 0.39 0.10 0.00 0.00 175.35 176.42 2jxb n GLU 4 N 1.75 -1.89 -1.04 1.78 1.02 -1.26 -4.82 120.64 116.17 2jxb n GLU 4 Ca -0.13 1.25 -0.31 0.00 -0.02 0.00 0.00 57.16 57.95 2jxb n GLU 4 Cb 0.52 -2.31 0.12 0.00 -0.02 0.00 0.00 31.44 29.76 2jxb n GLU 4 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jxb s ARG 5 N -1.52 1.67 0.96 3.49 0.52 -1.26 -5.02 118.95 117.80 2jxb s ARG 5 Ca 0.00 1.27 -0.12 0.00 -0.52 0.00 0.00 55.73 56.36 2jxb s ARG 5 Cb 0.00 -1.82 0.17 0.00 0.52 0.00 0.00 34.95 33.81 2jxb s ARG 5 CO 0.00 -2.08 1.09 -1.25 0.02 0.00 0.00 175.30 173.08 2jxb s PRO 6 N -4.81 0.73 0.97 3.54 0.04 -1.26 -5.04 135.00 129.17 2jxb s PRO 6 Ca 0.63 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.18 2jxb s PRO 6 Cb -0.19 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.76 2jxb s PRO 6 CO 0.57 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.89 2jxb s PRO 7 N -4.95 0.62 1.10 0.56 0.04 -1.26 -5.04 135.00 126.07 2jxb s PRO 7 Ca 0.65 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 2jxb s PRO 7 Cb -0.18 -1.75 0.24 0.00 0.04 0.00 0.00 34.50 32.84 2jxb s PRO 7 CO 0.57 -2.62 1.10 -1.25 0.04 0.00 0.00 177.00 174.85 2jxb s PRO 8 N -4.95 -0.42 0.50 0.56 0.04 -1.26 -4.96 135.00 124.50 2jxb s PRO 8 Ca 0.65 0.22 -0.22 0.00 0.04 0.00 0.00 61.00 61.69 2jxb s PRO 8 Cb -0.18 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 2jxb s PRO 8 CO 0.57 -3.24 1.01 1.33 0.04 0.00 0.00 177.00 176.72 2jxb n VAL 9 N -4.48 2.96 -1.34 -0.36 0.24 -1.26 -4.80 118.33 109.30 2jxb n VAL 9 Ca 0.09 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.49 2jxb n VAL 9 Cb 0.58 -1.20 -0.06 0.00 -1.47 0.00 0.00 33.84 31.70 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 -0.35 1.46 -3.16 7.34 -0.04 -1.26 -4.53 135.00 134.45 2jxb n PRO 10 Ca 0.11 -1.96 -0.21 0.00 -0.04 0.00 0.00 63.50 61.40 2jxb n PRO 10 Cb 0.43 -3.09 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 9.19 -5.46 -4.75 3.54 0.23 -1.26 -4.83 115.26 111.92 2jxb n ASN 11 Ca 0.48 0.07 -0.41 0.00 -0.53 0.00 0.00 54.58 54.20 2jxb n ASN 11 Cb 0.42 -1.45 -0.03 0.00 -2.08 0.00 0.00 39.78 36.64 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 -1.67 4.42 -0.27 -0.53 0.04 -1.26 -4.95 135.00 130.79 2jxb s PRO 12 Ca 0.20 2.05 0.14 0.00 0.04 0.00 0.00 61.00 63.44 2jxb s PRO 12 Cb -0.02 -3.16 0.48 0.00 0.04 0.00 0.00 34.50 31.83 2jxb s PRO 12 CO 0.45 -0.16 1.16 -3.47 0.04 0.00 0.00 177.00 175.02 2jxb n ASP 13 N 1.94 3.28 0.21 6.66 4.64 -1.26 -4.79 116.55 127.22 2jxb n ASP 13 Ca 0.03 -2.97 0.14 0.00 -1.38 0.00 0.00 54.79 50.62 2jxb n ASP 13 Cb 0.43 -0.41 0.44 0.00 -1.04 0.00 0.00 41.12 40.55 2jxb n ASP 13 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 2jxb h TYR 14 N 2.29 0.00 -4.20 -0.67 -0.00 -2.02 -3.43 116.97 108.95 2jxb h TYR 14 Ca 0.12 0.00 -0.61 0.00 0.00 0.00 0.00 58.73 58.24 2jxb h TYR 14 Cb 1.42 0.00 -0.30 0.00 0.00 0.00 0.00 36.73 37.84 2jxb h TYR 14 CO 0.68 0.00 -0.86 -0.80 -0.00 0.00 0.00 178.16 177.18 2jxb s ASN 15 N -5.42 2.47 0.00 0.10 0.02 -1.26 -5.05 114.94 105.81 2jxb s ASN 15 Ca 0.05 -0.39 -0.00 0.00 -1.02 0.00 0.00 52.86 51.49 2jxb s ASN 15 Cb 0.08 -0.48 -0.00 0.00 0.02 0.00 0.00 41.25 40.88 2jxb s ASN 15 CO 0.57 0.22 -0.00 -0.24 0.02 0.00 0.00 177.10 177.67 2jxb n SER 16 N 2.81 0.08 -0.69 -1.22 2.88 -1.26 -4.91 113.62 111.32 2jxb n SER 16 Ca -0.16 0.01 0.06 0.00 -1.33 0.00 0.00 58.87 57.44 2jxb n SER 16 Cb 0.53 -0.08 0.15 0.00 -0.75 0.00 0.00 64.21 64.06 2jxb n SER 16 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2jxb n LEU 17 N -2.57 2.15 -3.04 2.46 7.94 -1.26 -5.03 117.00 117.65 2jxb n LEU 17 Ca -0.00 -3.22 -0.16 0.00 -1.11 0.00 0.00 56.01 51.52 2jxb n LEU 17 Cb 0.00 -0.38 0.02 0.00 0.53 0.00 0.00 43.42 43.59 2jxb n LEU 17 CO 0.00 1.05 -0.12 0.29 -1.11 0.00 0.00 177.39 177.50 2jxb n LYS 18 N -0.78 -2.27 -3.51 1.96 5.02 -1.26 -5.04 118.16 112.26 2jxb n LYS 18 Ca 0.15 1.94 -0.17 0.00 -2.02 0.00 0.00 58.31 58.20 2jxb n LYS 18 Cb 0.77 -4.43 -0.06 0.00 -0.02 0.00 0.00 35.03 31.30 2jxb n LYS 18 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2jxb s LYS 19 N -2.41 1.06 0.00 1.97 -2.85 -1.26 -5.18 119.74 111.07 2jxb s LYS 19 Ca 0.26 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 2jxb s LYS 19 Cb -0.05 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2jxb s LYS 19 CO 0.77 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 176.29 2jxb n GLY 20 N 0.80 2.80 3.21 0.59 0.00 -1.26 -4.99 105.19 106.34 2jxb n GLY 20 Ca -0.18 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 2jxb n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jxb n SER 21 N -0.26 -6.88 -1.30 1.61 7.64 -1.26 -4.96 113.62 108.21 2jxb n SER 21 Ca 0.00 -0.05 0.04 0.00 1.01 0.00 0.00 58.87 59.87 2jxb n SER 21 Cb 0.00 -3.97 0.05 0.00 -1.01 0.00 0.00 64.21 59.28 2jxb n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jxb n LEU 22 N -1.13 1.29 -2.64 -3.43 4.77 -1.26 -5.06 117.00 109.54 2jxb n LEU 22 Ca -0.04 -2.32 -0.02 0.00 -0.03 0.00 0.00 56.01 53.60 2jxb n LEU 22 Cb 0.56 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2jxb n LEU 22 CO 0.54 0.66 -0.55 0.52 -1.33 0.00 0.00 177.39 177.23 2jxb n VAL 23 N 0.18-12.13 -4.60 4.08 0.31 -1.26 -5.04 118.33 99.88 2jxb n VAL 23 Ca 0.08 2.13 -0.28 0.00 -0.01 0.00 0.00 64.34 66.26 2jxb n VAL 23 Cb 1.05 -6.74 -0.17 0.00 -0.91 0.00 0.00 33.84 27.07 2jxb n VAL 23 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jxb s LYS 24 N -1.28 2.14 0.24 5.55 1.02 -1.26 -4.94 119.74 121.21 2jxb s LYS 24 Ca -0.10 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.34 2jxb s LYS 24 Cb 0.01 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 2jxb s LYS 24 CO 0.77 -0.00 0.00 0.09 -0.92 0.00 0.00 175.35 175.29 2jxb n ASN 25 N 3.99 -2.15 -1.31 2.83 3.02 -1.26 -5.17 115.26 115.21 2jxb n ASN 25 Ca -0.20 0.50 0.16 0.00 -0.03 0.00 0.00 54.58 55.01 2jxb n ASN 25 Cb 0.52 2.22 -0.08 0.00 -0.61 0.00 0.00 39.78 41.82 2jxb n ASN 25 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jxb n LEU 26 N -2.99 -0.88 -3.82 3.41 4.77 -1.26 -4.86 117.00 111.37 2jxb n LEU 26 Ca 0.00 2.04 -0.30 0.00 -0.03 0.00 0.00 56.01 57.72 2jxb n LEU 26 Cb 0.00 -3.38 -0.15 0.00 -2.33 0.00 0.00 43.42 37.56 2jxb n LEU 26 CO 0.00 -2.27 -0.34 -1.00 -1.33 0.00 0.00 177.39 172.45 2jxb s HIS 27 N -3.75 2.19 -0.01 -1.77 3.76 -1.26 -5.10 115.29 109.34 2jxb s HIS 27 Ca 0.00 -1.96 -0.19 0.00 -0.15 0.00 0.00 55.06 52.76 2jxb s HIS 27 Cb 0.00 -1.92 0.04 0.00 1.11 0.00 0.00 32.58 31.81 2jxb s HIS 27 CO 0.00 -0.87 0.42 1.41 -0.85 0.00 0.00 174.74 174.85 2jxb s MET 28 N 1.45 0.81 -0.01 1.40 0.00 -1.26 -5.17 119.30 116.52 2jxb s MET 28 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 55.69 55.65 2jxb s MET 28 Cb -0.18 0.37 -0.04 0.00 0.00 0.00 0.00 34.83 34.98 2jxb s MET 28 CO -0.18 -0.24 0.04 -0.08 0.00 0.00 0.00 175.02 174.55 2jxb s THR 29 N -1.51 4.44 -0.29 10.11 -1.32 -1.26 -5.10 115.64 120.71 2jxb s THR 29 Ca -0.11 -0.47 -0.28 0.00 -1.21 0.00 0.00 61.69 59.62 2jxb s THR 29 Cb -0.03 -2.99 0.19 0.00 -1.51 0.00 0.00 72.50 68.16 2jxb s THR 29 CO 0.04 0.39 1.40 -1.61 -2.21 0.00 0.00 174.62 172.64 2jxb s GLU 30 N -1.56 0.04 -0.42 7.08 2.02 -1.26 -5.10 118.70 119.50 2jxb s GLU 30 Ca 0.20 0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.28 2jxb s GLU 30 Cb -0.12 0.02 0.23 0.00 0.10 0.00 0.00 34.13 34.36 2jxb s GLU 30 CO 0.11 -0.01 0.50 0.39 0.02 0.00 0.00 175.26 176.26 2jxb n GLU 31 N 0.84 0.75 -4.23 1.61 4.71 -1.26 -5.07 120.64 118.00 2jxb n GLU 31 Ca -0.03 -3.34 -0.25 0.00 -0.01 0.00 0.00 57.16 53.52 2jxb n GLU 31 Cb 0.58 -1.41 -0.08 0.00 -1.01 0.00 0.00 31.44 29.53 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 -1.01 3.65 -0.01 2.62 1.01 -1.26 -5.03 120.40 120.37 2jxb s VAL 32 Ca 0.35 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.78 2jxb s VAL 32 Cb 0.14 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2jxb s VAL 32 CO -0.12 -0.18 -0.00 -0.63 0.00 0.00 0.00 175.10 174.16 2jxb s ILE 33 N -1.88 0.11 0.50 2.22 1.01 -1.26 -0.09 121.20 121.80 2jxb s ILE 33 Ca 0.28 0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.02 2jxb s ILE 33 Cb -0.08 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.25 2jxb s ILE 33 CO 0.19 0.07 0.41 0.54 0.00 0.00 0.00 174.94 176.16 2jxb s VAL 34 N 0.43 2.05 -0.12 2.92 0.11 -0.78 -3.98 120.40 121.03 2jxb s VAL 34 Ca -0.04 -1.42 -0.04 0.00 -2.93 0.00 0.00 61.98 57.56 2jxb s VAL 34 Cb -0.06 -2.47 0.06 0.00 -1.53 0.00 0.00 36.38 32.37 2jxb s VAL 34 CO -0.01 0.00 0.15 -0.63 -3.33 0.00 0.00 175.10 171.28 2jxb s ILE 35 N -2.66 -0.23 0.07 7.04 1.01 -1.15 -2.51 121.20 122.77 2jxb s ILE 35 Ca 0.41 0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.93 2jxb s ILE 35 Cb -0.02 -0.41 -0.08 0.00 0.01 0.00 0.00 42.46 41.95 2jxb s ILE 35 CO 0.25 0.00 1.67 0.00 0.00 0.00 0.00 174.94 176.86 2jxb s ALA 36 N 2.26 3.69 0.38 9.38 0.00 0.87 -0.42 121.76 137.91 2jxb s ALA 36 Ca 0.04 1.22 0.12 0.00 0.00 0.00 0.00 51.96 53.34 2jxb s ALA 36 Cb -0.13 -3.71 0.76 0.00 0.00 0.00 0.00 23.12 20.04 2jxb s ALA 36 CO -0.07 -1.13 1.86 0.87 0.00 0.00 0.00 175.76 177.28 2jxb h LYS 37 N 8.42 0.04 0.00 0.00 1.57 -0.74 -2.78 116.57 123.08 2jxb h LYS 37 Ca -0.43 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2jxb h LYS 37 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2jxb h LYS 37 CO 0.93 0.35 0.00 0.91 -0.57 0.00 0.00 179.45 181.07 2jxb n TRP 38 N -4.15 -0.28 -4.09 -1.35 7.02 -1.22 -4.54 117.44 108.83 2jxb n TRP 38 Ca -0.02 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.12 2jxb n TRP 38 Cb 0.37 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.15 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 -0.81 5.21 0.26 -0.99 3.84 -1.26 -3.65 116.67 119.27 2jxb s ASP 39 Ca 0.00 -0.06 0.06 0.00 -0.00 0.00 0.00 52.55 52.55 2jxb s ASP 39 Cb 0.00 -1.89 -0.06 0.00 -1.38 0.00 0.00 42.92 39.60 2jxb s ASP 39 CO 0.00 0.12 -0.06 -0.47 -0.00 0.00 0.00 175.17 174.76 2jxb s TYR 40 N 0.65 1.87 -0.14 2.11 5.04 0.93 -4.92 117.35 122.88 2jxb s TYR 40 Ca 0.01 -0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 53.93 2jxb s TYR 40 Cb -0.14 -1.05 -0.01 0.00 0.35 0.00 0.00 41.96 41.12 2jxb s TYR 40 CO 0.02 0.25 -0.12 0.99 -1.34 0.00 0.00 175.55 175.35 2jxb s THR 41 N -3.05 3.04 -0.57 4.34 2.01 -1.26 -3.00 115.64 117.14 2jxb s THR 41 Ca 0.28 -0.66 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 2jxb s THR 41 Cb 0.03 -2.29 -0.10 0.00 0.01 0.00 0.00 72.50 70.15 2jxb s THR 41 CO 0.11 0.51 2.46 0.00 -0.69 0.00 0.00 174.62 177.01 2jxb n ALA 42 N 3.70 0.74 0.28 7.40 0.00 -1.26 -4.82 120.51 126.56 2jxb n ALA 42 Ca -0.18 -0.75 -0.16 0.00 0.00 0.00 0.00 53.44 52.35 2jxb n ALA 42 Cb 0.52 -2.99 -0.08 0.00 0.00 0.00 0.00 19.45 16.90 2jxb n ALA 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jxb h GLN 43 N 17.68 -0.64 0.00 0.00 7.50 -1.89 -3.45 115.11 134.29 2jxb h GLN 43 Ca -0.21 0.04 0.00 0.00 0.50 0.00 0.00 58.65 58.98 2jxb h GLN 43 Cb 1.28 0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.96 2jxb h GLN 43 CO 1.19 -0.43 0.00 1.04 -1.50 0.00 0.00 178.83 179.13 2jxb n GLN 44 N -5.38 1.32 0.12 1.46 3.00 -1.26 -5.03 117.38 111.61 2jxb n GLN 44 Ca -0.12 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.94 2jxb n GLN 44 Cb 0.28 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.55 2jxb n GLN 44 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2jxb h ASP 45 N 0.00 0.00 1.34 1.08 3.04 -2.03 -3.29 116.42 116.56 2jxb h ASP 45 Ca 0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 2jxb h ASP 45 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 2jxb h ASP 45 CO 0.00 0.27 -0.68 1.56 -2.04 0.00 0.00 179.24 178.34 2jxb h GLN 46 N 0.00 0.00 -7.26 4.15 1.08 -1.96 -3.47 115.11 107.66 2jxb h GLN 46 Ca -0.04 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.67 2jxb h GLN 46 Cb 1.24 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.73 2jxb h GLN 46 CO 0.03 0.14 0.38 -1.21 -0.95 0.00 0.00 178.83 177.22 2jxb s GLU 47 N -3.17 3.43 0.09 1.46 0.41 -1.24 -1.27 118.70 118.41 2jxb s GLU 47 Ca 0.02 0.99 0.06 0.00 -0.41 0.00 0.00 54.97 55.63 2jxb s GLU 47 Cb 0.08 -2.06 -0.04 0.00 -1.78 0.00 0.00 34.13 30.33 2jxb s GLU 47 CO 0.75 -0.71 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.57 2jxb s LEU 48 N -4.80 3.13 -0.30 1.80 0.20 0.60 -4.45 118.68 114.86 2jxb s LEU 48 Ca 0.59 -0.32 -0.17 0.00 0.69 0.00 0.00 54.13 54.92 2jxb s LEU 48 Cb -0.13 -1.90 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 2jxb s LEU 48 CO 0.43 0.19 0.48 -1.81 -0.29 0.00 0.00 176.35 175.35 2jxb s ASP 49 N -2.14 6.33 0.12 3.68 1.01 -1.26 -4.19 116.67 120.22 2jxb s ASP 49 Ca 0.22 0.20 0.05 0.00 0.71 0.00 0.00 52.55 53.73 2jxb s ASP 49 Cb -0.11 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2jxb s ASP 49 CO 0.14 -0.35 0.03 0.27 0.21 0.00 0.00 175.17 175.47 2jxb s ILE 50 N 2.29 4.11 0.28 0.77 -4.36 -1.16 -4.97 121.20 118.16 2jxb s ILE 50 Ca 0.18 -1.05 0.09 0.00 -0.26 0.00 0.00 60.65 59.61 2jxb s ILE 50 Cb -0.16 -3.00 -0.06 0.00 1.25 0.00 0.00 42.46 40.49 2jxb s ILE 50 CO 0.11 0.04 -0.12 -0.75 0.24 0.00 0.00 174.94 174.46 2jxb s LYS 51 N -2.56 1.62 -0.21 0.37 2.20 -1.26 -0.05 119.74 119.85 2jxb s LYS 51 Ca 0.27 -1.79 -0.39 0.00 -0.36 0.00 0.00 55.97 53.71 2jxb s LYS 51 Cb -0.11 -1.47 -0.15 0.00 -1.51 0.00 0.00 37.83 34.59 2jxb s LYS 51 CO 0.20 0.17 1.75 1.63 -0.36 0.00 0.00 175.35 178.74 2jxb n LYS 52 N -0.61 1.40 -3.36 4.03 4.76 -1.24 -0.86 118.16 122.27 2jxb n LYS 52 Ca -0.06 0.51 -0.18 0.00 -2.87 0.00 0.00 58.31 55.72 2jxb n LYS 52 Cb 0.62 -2.23 0.08 0.00 -1.84 0.00 0.00 35.03 31.65 2jxb n LYS 52 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jxb n ASN 53 N 5.49 -3.50 -4.71 4.39 5.15 -1.05 -4.98 115.26 116.05 2jxb n ASN 53 Ca 0.25 -0.53 -0.36 0.00 -0.60 0.00 0.00 54.58 53.34 2jxb n ASN 53 Cb 0.17 -4.65 -0.08 0.00 -0.53 0.00 0.00 39.78 34.69 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 -5.58 4.16 0.02 1.20 2.56 -0.04 -4.88 118.70 116.13 2jxb s GLU 54 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.97 54.97 2jxb s GLU 54 Cb -0.09 -3.46 -0.04 0.00 2.00 0.00 0.00 34.13 32.54 2jxb s GLU 54 CO 0.66 0.21 0.06 -0.98 -0.56 0.00 0.00 175.26 174.65 2jxb s ARG 55 N 0.61 2.94 0.30 4.30 1.70 -1.26 -0.09 118.95 127.44 2jxb s ARG 55 Ca 0.09 -0.57 -0.06 0.00 -0.47 0.00 0.00 55.73 54.72 2jxb s ARG 55 Cb -0.12 -2.77 -0.00 0.00 -0.57 0.00 0.00 34.95 31.49 2jxb s ARG 55 CO 0.01 0.62 0.45 -0.51 -1.08 0.00 0.00 175.30 174.79 2jxb s LEU 56 N -1.83 0.79 -0.37 -1.89 1.02 -1.05 -4.91 118.68 110.45 2jxb s LEU 56 Ca 0.23 -1.30 -0.21 0.00 0.02 0.00 0.00 54.13 52.87 2jxb s LEU 56 Cb -0.12 1.48 0.01 0.00 0.02 0.00 0.00 46.19 47.58 2jxb s LEU 56 CO 0.15 -1.22 0.67 0.26 0.02 0.00 0.00 176.35 176.24 2jxb s TRP 57 N -3.43 3.13 0.04 0.29 0.51 0.70 -1.87 118.94 118.30 2jxb s TRP 57 Ca 0.29 0.35 -0.30 0.00 -2.12 0.00 0.00 56.10 54.31 2jxb s TRP 57 Cb 0.00 -3.23 -0.07 0.00 -0.81 0.00 0.00 33.47 29.35 2jxb s TRP 57 CO 0.16 -0.68 1.59 -0.51 -0.51 0.00 0.00 176.95 176.99 2jxb s LEU 58 N 2.83 4.35 0.00 2.99 1.43 0.87 -0.38 118.68 130.76 2jxb s LEU 58 Ca 0.26 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 2jxb s LEU 58 Cb -0.14 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2jxb s LEU 58 CO 0.16 -0.85 0.00 0.18 0.23 0.00 0.00 176.35 176.07 2jxb n LEU 59 N 5.71 0.00 -3.72 1.79 4.77 0.14 -4.36 117.00 121.34 2jxb n LEU 59 Ca 0.15 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.87 2jxb n LEU 59 Cb 0.42 -0.40 -0.17 0.00 -2.33 0.00 0.00 43.42 40.94 2jxb n LEU 59 CO 0.62 -0.40 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.29 2jxb s ASP 60 N -3.41 2.49 -0.70 -1.43 2.15 -1.11 -5.01 116.67 109.66 2jxb s ASP 60 Ca 0.00 -0.61 0.05 0.00 0.43 0.00 0.00 52.55 52.42 2jxb s ASP 60 Cb 0.00 -0.49 0.17 0.00 -0.30 0.00 0.00 42.92 42.30 2jxb s ASP 60 CO 0.00 -0.29 0.49 1.51 -0.17 0.00 0.00 175.17 176.71 2jxb s ASP 61 N 1.94 4.73 -0.13 -0.34 1.47 -1.26 -2.19 116.67 120.89 2jxb s ASP 61 Ca 0.01 -3.85 -0.06 0.00 1.18 0.00 0.00 52.55 49.83 2jxb s ASP 61 Cb -0.16 -1.60 -0.06 0.00 -0.34 0.00 0.00 42.92 40.77 2jxb s ASP 61 CO -0.07 -0.08 -0.17 -1.20 0.68 0.00 0.00 175.17 174.32 2jxb n SER 62 N 1.97 1.00 -4.52 2.11 7.64 -1.26 -5.04 113.62 115.53 2jxb n SER 62 Ca 0.20 0.15 -0.26 0.00 1.01 0.00 0.00 58.87 59.98 2jxb n SER 62 Cb 0.35 -0.38 0.13 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.38 0.39 1.43 1.02 -1.26 -4.94 119.74 115.51 2jxb s LYS 63 Ca -0.18 -0.84 0.19 0.00 0.02 0.00 0.00 55.97 55.16 2jxb s LYS 63 Cb 0.07 -2.17 1.13 0.00 -0.52 0.00 0.00 37.83 36.35 2jxb s LYS 63 CO 0.23 -1.75 1.74 0.00 -0.92 0.00 0.00 175.35 174.66 2jxb h THR 64 N -0.89 0.46 -2.95 2.17 1.03 -1.93 -3.39 112.91 107.41 2jxb h THR 64 Ca -0.39 -0.12 -0.62 0.00 -0.01 0.00 0.00 66.41 65.26 2jxb h THR 64 Cb 1.26 0.06 -0.07 0.00 -1.07 0.00 0.00 68.15 68.34 2jxb h THR 64 CO 0.41 0.07 -0.30 0.26 -0.01 0.00 0.00 175.52 175.95 2jxb s TRP 65 N -5.49 3.65 0.13 0.00 0.52 -1.26 -2.30 118.94 114.18 2jxb s TRP 65 Ca -0.09 0.80 0.07 0.00 0.02 0.00 0.00 56.10 56.91 2jxb s TRP 65 Cb 0.26 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 2jxb s TRP 65 CO 0.80 0.60 -0.08 -1.58 0.02 0.00 0.00 176.95 176.72 2jxb s TRP 66 N -0.81 2.75 -0.17 -1.98 0.51 -0.34 -4.49 118.94 114.43 2jxb s TRP 66 Ca 0.20 -0.16 -0.01 0.00 -2.12 0.00 0.00 56.10 54.02 2jxb s TRP 66 Cb -0.15 -1.41 -0.01 0.00 -0.81 0.00 0.00 33.47 31.10 2jxb s TRP 66 CO 0.09 0.46 -0.11 0.50 -0.51 0.00 0.00 176.95 177.38 2jxb s ARG 67 N -2.42 3.32 0.31 4.98 3.52 -0.93 -1.71 118.95 126.02 2jxb s ARG 67 Ca 0.23 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 2jxb s ARG 67 Cb -0.10 -2.74 -0.05 0.00 -1.56 0.00 0.00 34.95 30.49 2jxb s ARG 67 CO 0.15 0.01 0.09 0.14 -0.81 0.00 0.00 175.30 174.89 2jxb s VAL 68 N 0.86 0.79 0.08 7.11 -7.23 -1.18 0.28 120.40 121.11 2jxb s VAL 68 Ca -0.03 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 2jxb s VAL 68 Cb -0.15 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2jxb s VAL 68 CO 0.00 0.00 -0.19 -0.60 -0.31 0.00 0.00 175.10 174.00 2jxb s ARG 69 N -3.91 1.13 0.49 4.82 3.52 0.48 -2.54 118.95 122.94 2jxb s ARG 69 Ca 0.35 -1.04 0.07 0.00 -0.13 0.00 0.00 55.73 54.99 2jxb s ARG 69 Cb 0.07 -1.30 0.07 0.00 -1.56 0.00 0.00 34.95 32.24 2jxb s ARG 69 CO 0.15 0.31 0.62 0.27 -0.81 0.00 0.00 175.30 175.83 2jxb n ASN 70 N 1.38 1.96 0.15 -2.12 6.94 -0.75 -0.21 115.26 122.61 2jxb n ASN 70 Ca -0.19 -2.38 0.12 0.00 -0.02 0.00 0.00 54.58 52.11 2jxb n ASN 70 Cb 0.54 -0.29 0.55 0.00 -2.36 0.00 0.00 39.78 38.21 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jxb h ALA 71 N 0.28 1.00 -0.17 -2.53 0.00 -1.90 -1.57 119.26 114.37 2jxb h ALA 71 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jxb h ALA 71 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jxb h ALA 71 CO 0.36 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.61 2jxb n ALA 72 N -1.80 2.49 -1.17 0.00 0.00 -1.26 -4.86 120.51 113.92 2jxb n ALA 72 Ca 0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 53.44 53.04 2jxb n ALA 72 Cb 0.16 -1.04 -0.03 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 0.00 -5.05 -4.82 0.00 4.13 -0.59 -4.97 115.26 103.96 2jxb n ASN 73 Ca 0.09 0.15 -0.38 0.00 1.68 0.00 0.00 54.58 56.12 2jxb n ASN 73 Cb 0.18 -3.07 -0.06 0.00 -1.54 0.00 0.00 39.78 35.29 2jxb n ASN 73 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2jxb s ARG 74 N -2.16 4.08 -0.10 3.52 3.52 -1.26 -4.88 118.95 121.66 2jxb s ARG 74 Ca 0.00 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.24 2jxb s ARG 74 Cb 0.00 -3.16 -0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2jxb s ARG 74 CO 0.00 0.61 -0.23 0.95 -0.81 0.00 0.00 175.30 175.82 2jxb s THR 75 N -1.19 2.18 0.04 4.11 -4.23 -1.26 -1.81 115.64 113.47 2jxb s THR 75 Ca 0.30 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 2jxb s THR 75 Cb -0.18 -1.84 -0.00 0.00 1.34 0.00 0.00 72.50 71.82 2jxb s THR 75 CO 0.18 0.56 0.04 0.61 -0.54 0.00 0.00 174.62 175.46 2jxb n GLY 76 N 3.52 3.72 3.54 3.99 0.00 -1.05 -4.94 105.19 113.97 2jxb n GLY 76 Ca -0.19 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.68 2.59 -0.13 1.61 2.02 -0.40 -3.11 117.35 117.24 2jxb s TYR 77 Ca 0.05 -0.24 -0.25 0.00 -0.37 0.00 0.00 57.07 56.26 2jxb s TYR 77 Cb 0.00 -1.29 0.06 0.00 -0.40 0.00 0.00 41.96 40.33 2jxb s TYR 77 CO 0.03 0.49 0.62 0.14 -1.57 0.00 0.00 175.55 175.26 2jxb s VAL 78 N -1.59 0.01 0.03 0.71 -7.23 -0.69 -0.29 120.40 111.34 2jxb s VAL 78 Ca 0.23 -0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 2jxb s VAL 78 Cb -0.09 -0.90 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 2jxb s VAL 78 CO 0.14 -0.03 1.43 -2.16 -0.31 0.00 0.00 175.10 174.17 2jxb s PRO 79 N -0.49 4.28 0.54 4.82 0.04 -1.26 -1.20 135.00 141.72 2jxb s PRO 79 Ca -0.06 2.03 0.36 0.00 0.04 0.00 0.00 61.00 63.37 2jxb s PRO 79 Cb -0.03 -3.53 1.96 0.00 0.04 0.00 0.00 34.50 32.94 2jxb s PRO 79 CO 0.05 -0.57 2.10 0.66 0.04 0.00 0.00 177.00 179.28 2jxb h SER 80 N 7.74 0.00 0.77 6.66 4.64 -1.78 -0.06 113.55 131.53 2jxb h SER 80 Ca -0.39 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.83 2jxb h SER 80 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2jxb h SER 80 CO 0.90 0.00 -0.48 0.78 -0.87 0.00 0.00 176.83 177.16 2jxb h ASN 81 N 0.00 0.00 -0.45 4.97 4.21 -1.90 -2.85 115.58 119.57 2jxb h ASN 81 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2jxb h ASN 81 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2jxb h ASN 81 CO 0.00 0.48 0.00 -1.22 -1.29 0.00 0.00 177.43 175.40 2jxb n TYR 82 N -3.63 0.58 -4.20 1.19 4.02 -0.05 -4.94 117.16 110.12 2jxb n TYR 82 Ca -0.01 -0.29 -0.12 0.00 -0.01 0.00 0.00 57.90 57.47 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 -1.42 0.91 -0.30 -0.72 0.11 -1.07 -0.02 120.40 117.90 2jxb s VAL 83 Ca 0.40 -1.97 -0.04 0.00 -2.93 0.00 0.00 61.98 57.45 2jxb s VAL 83 Cb 0.23 -1.73 0.17 0.00 -1.53 0.00 0.00 36.38 33.52 2jxb s VAL 83 CO 0.32 -0.80 0.60 -1.83 -3.33 0.00 0.00 175.10 170.06 2jxb s GLU 84 N -3.72 0.56 0.97 1.54 4.04 0.44 -4.76 118.70 117.77 2jxb s GLU 84 Ca 0.13 1.11 -0.12 0.00 0.04 0.00 0.00 54.97 56.13 2jxb s GLU 84 Cb 0.03 0.60 0.08 0.00 0.02 0.00 0.00 34.13 34.87 2jxb s GLU 84 CO -0.02 -0.50 0.60 2.89 -1.84 0.00 0.00 175.26 176.38 2jxb n ARG 85 N 5.43 -0.55 0.00 -4.83 -4.01 -1.26 -2.91 116.66 108.53 2jxb n ARG 85 Ca -0.04 -0.11 0.16 0.00 -1.04 0.00 0.00 57.85 56.81 2jxb n ARG 85 Cb 0.50 -2.00 0.87 0.00 -3.04 0.00 0.00 32.46 28.80 2jxb n ARG 85 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76