#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 1.61 0.05 -0.41 1.56 -1.26 -4.54 117.12 114.13 2jxb n MET 2 Ca 0.00 -0.03 0.12 0.00 -0.27 0.00 0.00 57.70 57.52 2jxb n MET 2 Cb 0.00 -1.17 0.28 0.00 2.15 0.00 0.00 33.22 34.48 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 -2.00 0.19 -4.48 2.12 5.02 -1.26 -4.90 118.16 112.86 2jxb n LYS 3 Ca -0.06 0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 2jxb n LYS 3 Cb 0.45 -1.65 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 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 -3.10 1.70 0.89 1.97 2.12 -1.26 -5.14 118.70 115.87 2jxb s GLU 4 Ca 0.09 -1.94 -0.10 0.00 0.36 0.00 0.00 54.97 53.38 2jxb s GLU 4 Cb 0.15 -1.04 0.13 0.00 0.26 0.00 0.00 34.13 33.63 2jxb s GLU 4 CO 0.67 -0.14 1.12 1.03 -0.54 0.00 0.00 175.26 177.41 2jxb s ARG 5 N -3.84 1.25 0.96 4.30 0.52 -1.26 -4.94 118.95 115.93 2jxb s ARG 5 Ca 0.36 1.39 -0.12 0.00 -0.52 0.00 0.00 55.73 56.84 2jxb s ARG 5 Cb 0.08 -1.77 0.16 0.00 0.52 0.00 0.00 34.95 33.95 2jxb s ARG 5 CO 0.16 -2.42 1.09 -1.25 0.02 0.00 0.00 175.30 172.90 2jxb s PRO 6 N -4.72 0.78 0.97 3.54 0.04 -1.26 -4.96 135.00 129.39 2jxb s PRO 6 Ca 0.65 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 2jxb s PRO 6 Cb -0.21 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.73 2jxb s PRO 6 CO 0.58 -2.53 1.09 -1.25 0.04 0.00 0.00 177.00 174.93 2jxb s PRO 7 N -4.95 0.63 1.11 0.56 0.04 -1.26 -5.05 135.00 126.07 2jxb s PRO 7 Ca 0.64 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 2jxb s PRO 7 Cb -0.18 -1.75 0.28 0.00 0.04 0.00 0.00 34.50 32.88 2jxb s PRO 7 CO 0.57 -2.61 0.98 -0.35 0.04 0.00 0.00 177.00 175.63 2jxb n PRO 8 N -4.11 -2.95 -1.77 0.56 -0.04 -1.26 -4.96 135.00 120.48 2jxb n PRO 8 Ca 0.06 -1.57 -0.41 0.00 -0.04 0.00 0.00 63.50 61.53 2jxb n PRO 8 Cb 0.57 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -4.64 2.19 -1.36 0.52 0.24 -1.26 -4.84 118.33 109.18 2jxb n VAL 9 Ca 0.14 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.54 2jxb n VAL 9 Cb 0.53 -1.93 -0.06 0.00 -1.47 0.00 0.00 33.84 30.91 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 0.29 1.45 -3.19 7.34 -0.04 -1.26 -4.52 135.00 135.07 2jxb n PRO 10 Ca 0.02 -1.97 -0.27 0.00 -0.04 0.00 0.00 63.50 61.24 2jxb n PRO 10 Cb 0.39 -3.12 0.03 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 9.44 -5.17 -4.75 3.54 6.94 -1.26 -4.83 115.26 119.16 2jxb n ASN 11 Ca 0.48 -0.03 -0.41 0.00 -0.02 0.00 0.00 54.58 54.61 2jxb n ASN 11 Cb 0.42 -1.43 -0.03 0.00 -2.36 0.00 0.00 39.78 36.38 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 -1.89 4.42 -0.47 -0.53 0.04 -1.26 -4.96 135.00 130.35 2jxb s PRO 12 Ca 0.26 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.44 2jxb s PRO 12 Cb -0.03 -3.17 0.36 0.00 0.04 0.00 0.00 34.50 31.70 2jxb s PRO 12 CO 0.60 -0.18 0.89 -3.47 0.04 0.00 0.00 177.00 174.88 2jxb n ASP 13 N 2.10 2.98 0.01 6.66 4.64 -1.26 -4.80 116.55 126.88 2jxb n ASP 13 Ca 0.04 -3.37 0.11 0.00 -1.38 0.00 0.00 54.79 50.19 2jxb n ASP 13 Cb 0.43 -0.57 -0.14 0.00 -1.04 0.00 0.00 41.12 39.80 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2jxb n TYR 14 N -0.07 0.13 -2.29 -0.67 0.18 -1.26 -5.07 117.16 108.10 2jxb n TYR 14 Ca 0.28 0.04 -0.02 0.00 1.88 0.00 0.00 57.90 60.07 2jxb n TYR 14 Cb 0.55 -0.51 -0.02 0.00 -0.38 0.00 0.00 39.34 38.98 2jxb n TYR 14 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2jxb n ASN 15 N -2.23 -4.62 0.05 9.48 5.03 -1.26 -4.98 115.26 116.72 2jxb n ASN 15 Ca -0.03 1.38 -0.05 0.00 0.87 0.00 0.00 54.58 56.75 2jxb n ASN 15 Cb 0.54 -4.62 -0.03 0.00 -1.02 0.00 0.00 39.78 34.64 2jxb n ASN 15 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 2jxb h SER 16 N 3.57 -0.19 -0.40 6.41 0.87 -1.97 -3.47 113.55 118.37 2jxb h SER 16 Ca -0.24 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2jxb h SER 16 Cb 0.54 0.05 -0.17 0.00 -0.44 0.00 0.00 62.40 62.38 2jxb h SER 16 CO 0.00 0.33 -0.20 -0.22 -0.53 0.00 0.00 176.83 176.21 2jxb s LEU 17 N -8.79 -0.60 -0.03 2.23 2.96 -1.26 -5.00 118.68 108.18 2jxb s LEU 17 Ca -0.06 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2jxb s LEU 17 Cb 0.00 0.78 -0.04 0.00 0.50 0.00 0.00 46.19 47.43 2jxb s LEU 17 CO 0.20 -0.05 0.01 2.29 -1.32 0.00 0.00 176.35 177.48 2jxb n LYS 18 N 3.46 3.32 -2.71 1.98 -0.00 -1.26 -4.93 118.16 118.02 2jxb n LYS 18 Ca 0.09 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.34 2jxb n LYS 18 Cb 0.62 -1.08 0.08 0.00 -0.00 0.00 0.00 35.03 34.65 2jxb n LYS 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2jxb n LYS 19 N -2.14 0.51 0.00 -1.58 4.81 -1.26 -5.15 118.16 113.35 2jxb n LYS 19 Ca -0.05 -1.27 0.00 0.00 -0.87 0.00 0.00 58.31 56.12 2jxb n LYS 19 Cb 0.60 -0.78 0.00 0.00 0.02 0.00 0.00 35.03 34.87 2jxb n LYS 19 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jxb n GLY 20 N 1.20 -2.34 3.85 3.14 0.00 -1.26 -5.02 105.19 104.75 2jxb n GLY 20 Ca 0.04 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2jxb n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jxb s SER 21 N -3.00 4.42 0.37 1.61 0.01 -1.26 -4.78 113.70 111.07 2jxb s SER 21 Ca 0.00 -1.43 0.08 0.00 1.31 0.00 0.00 55.95 55.91 2jxb s SER 21 Cb 0.00 0.50 -0.06 0.00 0.21 0.00 0.00 66.02 66.66 2jxb s SER 21 CO 0.00 -1.02 0.00 -0.76 0.41 0.00 0.00 173.24 171.87 2jxb s LEU 22 N -4.12 2.89 0.00 2.44 1.43 -1.26 -5.16 118.68 114.91 2jxb s LEU 22 Ca 0.21 -1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.13 2jxb s LEU 22 Cb -0.01 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.09 2jxb s LEU 22 CO 0.13 -0.33 0.11 1.33 0.23 0.00 0.00 176.35 177.82 2jxb n VAL 23 N -0.95 0.00 -3.72 -1.59 0.24 -1.26 -5.19 118.33 105.86 2jxb n VAL 23 Ca -0.04 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.34 61.76 2jxb n VAL 23 Cb 0.64 0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 33.24 2jxb n VAL 23 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2jxb s LYS 24 N -2.19 1.62 -0.22 7.34 -2.85 -1.26 -5.19 119.74 117.00 2jxb s LYS 24 Ca 0.07 -0.83 -0.35 0.00 -1.00 0.00 0.00 55.97 53.86 2jxb s LYS 24 Cb -0.00 0.60 0.15 0.00 -2.06 0.00 0.00 37.83 36.52 2jxb s LYS 24 CO 0.05 -0.73 1.25 1.21 0.10 0.00 0.00 175.35 177.23 2jxb s ASN 25 N -2.87 -0.11 -0.40 0.03 3.84 -1.26 -5.07 114.94 109.10 2jxb s ASN 25 Ca 0.08 0.02 -0.22 0.00 0.21 0.00 0.00 52.86 52.94 2jxb s ASN 25 Cb -0.04 0.11 0.03 0.00 -0.55 0.00 0.00 41.25 40.80 2jxb s ASN 25 CO 0.01 -0.17 0.54 0.18 -2.79 0.00 0.00 177.10 174.87 2jxb n LEU 26 N 0.01 -5.84 -4.15 3.21 4.77 -1.26 -5.04 117.00 108.71 2jxb n LEU 26 Ca 0.01 0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 2jxb n LEU 26 Cb 0.58 -2.68 -0.09 0.00 -2.33 0.00 0.00 43.42 38.90 2jxb n LEU 26 CO 0.09 -1.57 -0.17 -1.38 -1.33 0.00 0.00 177.39 173.03 2jxb s HIS 27 N -2.04 0.94 0.46 -1.77 -3.43 -1.26 -5.17 115.29 103.01 2jxb s HIS 27 Ca 0.26 -1.22 0.04 0.00 -0.80 0.00 0.00 55.06 53.35 2jxb s HIS 27 Cb -0.05 -0.40 0.01 0.00 -1.43 0.00 0.00 32.58 30.71 2jxb s HIS 27 CO 0.77 -0.67 0.64 -1.64 -2.00 0.00 0.00 174.74 171.83 2jxb s MET 28 N -4.11 2.80 0.14 -0.38 -1.94 -1.26 -5.13 119.30 109.43 2jxb s MET 28 Ca 0.33 -0.95 0.06 0.00 -1.71 0.00 0.00 55.69 53.42 2jxb s MET 28 Cb 0.06 -2.65 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 2jxb s MET 28 CO 0.09 -0.38 -0.13 0.99 -0.01 0.00 0.00 175.02 175.58 2jxb s THR 29 N -2.49 1.38 0.00 2.05 2.01 -1.26 -5.10 115.64 112.22 2jxb s THR 29 Ca 0.53 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.66 2jxb s THR 29 Cb -0.10 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.72 2jxb s THR 29 CO 0.35 -0.51 0.00 -0.62 -0.69 0.00 0.00 174.62 173.15 2jxb n GLU 30 N 0.22 0.00 -3.21 4.92 1.02 -1.26 -5.11 120.64 117.22 2jxb n GLU 30 Ca -0.13 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.77 2jxb n GLU 30 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.94 2jxb n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jxb n GLU 31 N 0.00 1.14 -4.13 3.49 4.71 -1.26 -5.05 120.64 119.53 2jxb n GLU 31 Ca 0.00 -3.54 -0.24 0.00 -0.01 0.00 0.00 57.16 53.37 2jxb n GLU 31 Cb 0.00 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 28.88 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 -1.74 4.26 -0.01 2.62 1.01 -1.26 -5.02 120.40 120.25 2jxb s VAL 32 Ca 0.37 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 2jxb s VAL 32 Cb 0.20 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2jxb s VAL 32 CO -0.09 -0.22 0.02 -0.63 0.00 0.00 0.00 175.10 174.18 2jxb s ILE 33 N -1.94 -0.03 0.30 2.22 1.01 -1.26 -0.05 121.20 121.45 2jxb s ILE 33 Ca 0.31 0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.17 2jxb s ILE 33 Cb -0.09 -0.05 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 2jxb s ILE 33 CO 0.23 0.05 0.02 0.54 0.00 0.00 0.00 174.94 175.78 2jxb s VAL 34 N 0.57 3.10 -0.09 2.92 0.11 -1.00 -4.05 120.40 121.96 2jxb s VAL 34 Ca -0.05 -1.90 0.03 0.00 -2.93 0.00 0.00 61.98 57.13 2jxb s VAL 34 Cb -0.07 -2.83 0.01 0.00 -1.53 0.00 0.00 36.38 31.95 2jxb s VAL 34 CO -0.02 -0.29 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.65 2jxb s ILE 35 N -2.40 1.66 -0.42 7.04 -1.09 -0.61 -1.98 121.20 123.40 2jxb s ILE 35 Ca 0.34 -0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 57.70 2jxb s ILE 35 Cb -0.04 -1.47 -0.01 0.00 -1.58 0.00 0.00 42.46 39.36 2jxb s ILE 35 CO 0.20 0.47 1.67 0.00 -1.23 0.00 0.00 174.94 176.05 2jxb s ALA 36 N 0.58 2.80 0.44 9.38 0.00 0.79 0.12 121.76 135.86 2jxb s ALA 36 Ca -0.15 -0.08 0.21 0.00 0.00 0.00 0.00 51.96 51.94 2jxb s ALA 36 Cb -0.17 -4.05 1.17 0.00 0.00 0.00 0.00 23.12 20.07 2jxb s ALA 36 CO 0.05 -2.79 1.83 0.87 0.00 0.00 0.00 175.76 175.72 2jxb h LYS 37 N 12.45 0.32 0.00 0.00 1.57 -1.24 -3.11 116.57 126.56 2jxb h LYS 37 Ca -0.30 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 2jxb h LYS 37 Cb 1.14 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2jxb h LYS 37 CO 1.09 0.21 0.00 0.91 -0.57 0.00 0.00 179.45 181.09 2jxb n TRP 38 N -4.49 -0.69 -3.69 -1.35 7.02 -1.21 -4.65 117.44 108.38 2jxb n TRP 38 Ca 0.21 -0.07 -0.36 0.00 -1.02 0.00 0.00 57.50 56.26 2jxb n TRP 38 Cb 0.81 0.02 -0.09 0.00 -2.42 0.00 0.00 31.31 29.63 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 -1.07 6.15 0.26 -0.99 3.84 -1.26 -3.89 116.67 119.71 2jxb s ASP 39 Ca 0.01 0.16 0.07 0.00 -0.00 0.00 0.00 52.55 52.78 2jxb s ASP 39 Cb -0.00 -2.10 -0.06 0.00 -1.38 0.00 0.00 42.92 39.39 2jxb s ASP 39 CO 0.01 0.11 -0.07 -0.47 -0.00 0.00 0.00 175.17 174.75 2jxb s TYR 40 N 0.78 1.88 -0.20 2.11 5.04 0.84 -4.92 117.35 122.88 2jxb s TYR 40 Ca 0.08 -0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 54.00 2jxb s TYR 40 Cb -0.12 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.14 2jxb s TYR 40 CO 0.02 0.27 -0.11 -0.08 -1.34 0.00 0.00 175.55 174.31 2jxb s THR 41 N -3.04 2.88 0.42 4.34 -1.32 -1.26 -3.01 115.64 114.65 2jxb s THR 41 Ca 0.28 -0.67 -0.25 0.00 -1.21 0.00 0.00 61.69 59.84 2jxb s THR 41 Cb 0.03 -2.27 -0.10 0.00 -1.51 0.00 0.00 72.50 68.65 2jxb s THR 41 CO 0.11 0.47 1.21 0.00 -2.21 0.00 0.00 174.62 174.20 2jxb n ALA 42 N 4.63 1.03 0.07 11.08 0.00 -1.26 -4.92 120.51 131.14 2jxb n ALA 42 Ca -0.19 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 2jxb n ALA 42 Cb 0.51 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 17.59 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 1.94 0.22 -4.14 0.00 7.50 -1.91 -3.49 115.11 115.24 2jxb h GLN 43 Ca -0.47 -0.38 -0.23 0.00 0.50 0.00 0.00 58.65 58.07 2jxb h GLN 43 Cb 1.30 0.14 -0.10 0.00 0.05 0.00 0.00 27.48 28.88 2jxb h GLN 43 CO 0.59 1.11 -0.26 1.14 -1.50 0.00 0.00 178.83 179.91 2jxb s GLN 44 N -2.64 1.70 0.66 1.46 -2.07 -1.26 -5.02 119.66 112.50 2jxb s GLN 44 Ca -0.06 -1.64 0.43 0.00 -1.82 0.00 0.00 55.36 52.27 2jxb s GLN 44 Cb 0.07 0.41 2.34 0.00 -1.09 0.00 0.00 33.01 34.75 2jxb s GLN 44 CO 0.86 -0.68 2.35 -0.44 -1.32 0.00 0.00 175.29 176.05 2jxb h ASP 45 N 2.23 0.00 -0.16 12.60 5.19 -2.04 -1.94 116.42 132.30 2jxb h ASP 45 Ca -0.29 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.99 2jxb h ASP 45 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2jxb h ASP 45 CO 0.40 0.00 -0.44 -0.61 -3.12 0.00 0.00 179.24 175.47 2jxb h GLN 46 N 0.00 0.58 0.00 3.56 4.15 -1.97 -3.46 115.11 117.97 2jxb h GLN 46 Ca -0.00 -0.41 -0.43 0.00 0.77 0.00 0.00 58.65 58.58 2jxb h GLN 46 Cb 0.03 0.06 0.19 0.00 0.21 0.00 0.00 27.48 27.98 2jxb h GLN 46 CO 0.00 1.03 0.34 0.39 -1.93 0.00 0.00 178.83 178.66 2jxb n GLU 47 N -4.24 -1.88 -4.31 1.69 -0.58 -0.73 -3.27 120.64 107.32 2jxb n GLU 47 Ca -0.07 -2.01 -0.19 0.00 -0.42 0.00 0.00 57.16 54.48 2jxb n GLU 47 Cb 0.56 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.82 2jxb n GLU 47 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jxb s LEU 48 N 0.00 2.17 -0.27 -4.62 0.20 0.87 -4.36 118.68 112.67 2jxb s LEU 48 Ca 0.76 -0.44 -0.16 0.00 0.69 0.00 0.00 54.13 54.98 2jxb s LEU 48 Cb -0.03 -0.53 -0.03 0.00 -0.43 0.00 0.00 46.19 45.16 2jxb s LEU 48 CO 0.54 0.01 0.42 -1.81 -0.29 0.00 0.00 176.35 175.22 2jxb s ASP 49 N -1.10 6.31 0.11 3.68 1.11 -1.26 -4.19 116.67 121.33 2jxb s ASP 49 Ca 0.00 0.36 0.02 0.00 0.18 0.00 0.00 52.55 53.12 2jxb s ASP 49 Cb -0.08 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 2jxb s ASP 49 CO 0.01 -0.22 0.18 0.27 1.18 0.00 0.00 175.17 176.59 2jxb s ILE 50 N 2.14 4.96 0.27 0.77 -4.36 -1.16 -4.95 121.20 118.87 2jxb s ILE 50 Ca 0.17 -0.70 0.10 0.00 -0.26 0.00 0.00 60.65 59.96 2jxb s ILE 50 Cb -0.16 -3.47 -0.05 0.00 1.25 0.00 0.00 42.46 40.03 2jxb s ILE 50 CO 0.10 0.03 -0.16 -0.75 0.24 0.00 0.00 174.94 174.39 2jxb s LYS 51 N -2.77 1.62 0.15 0.37 2.20 -1.26 -0.11 119.74 119.94 2jxb s LYS 51 Ca 0.33 -1.76 -0.34 0.00 -0.36 0.00 0.00 55.97 53.84 2jxb s LYS 51 Cb -0.12 -1.58 -0.16 0.00 -1.51 0.00 0.00 37.83 34.46 2jxb s LYS 51 CO 0.26 0.25 1.27 1.63 -0.36 0.00 0.00 175.35 178.40 2jxb n LYS 52 N -0.59 1.32 -3.42 4.03 4.76 -1.25 -2.72 118.16 120.27 2jxb n LYS 52 Ca -0.06 0.47 -0.14 0.00 -2.87 0.00 0.00 58.31 55.71 2jxb n LYS 52 Cb 0.61 -2.05 0.01 0.00 -1.84 0.00 0.00 35.03 31.76 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 2.27 -6.33 -4.02 4.39 5.15 -1.17 -4.97 115.26 110.57 2jxb n ASN 53 Ca 0.16 -0.56 -0.25 0.00 -0.60 0.00 0.00 54.58 53.32 2jxb n ASN 53 Cb 0.24 -3.71 -0.17 0.00 -0.53 0.00 0.00 39.78 35.61 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 -4.21 1.79 0.01 1.20 2.56 -1.10 -4.95 118.70 114.00 2jxb s GLU 54 Ca 0.09 -0.43 0.01 0.00 0.00 0.00 0.00 54.97 54.64 2jxb s GLU 54 Cb -0.03 -1.51 -0.04 0.00 2.00 0.00 0.00 34.13 34.56 2jxb s GLU 54 CO 0.82 -0.01 0.05 -0.98 -0.56 0.00 0.00 175.26 174.58 2jxb s ARG 55 N 0.79 2.92 0.32 4.30 3.03 -1.26 -0.15 118.95 128.90 2jxb s ARG 55 Ca -0.12 -0.57 -0.02 0.00 2.03 0.00 0.00 55.73 57.05 2jxb s ARG 55 Cb -0.15 -2.76 -0.01 0.00 -1.03 0.00 0.00 34.95 31.00 2jxb s ARG 55 CO 0.02 0.62 0.42 -0.51 -1.13 0.00 0.00 175.30 174.72 2jxb s LEU 56 N -1.77 1.05 -0.41 -1.89 1.02 -0.84 -4.89 118.68 110.95 2jxb s LEU 56 Ca 0.23 -1.45 -0.19 0.00 0.02 0.00 0.00 54.13 52.74 2jxb s LEU 56 Cb -0.12 1.27 0.02 0.00 0.02 0.00 0.00 46.19 47.38 2jxb s LEU 56 CO 0.14 -1.20 0.53 0.26 0.02 0.00 0.00 176.35 176.09 2jxb s TRP 57 N -3.32 3.13 0.05 0.29 0.51 0.63 -2.38 118.94 117.85 2jxb s TRP 57 Ca 0.32 -0.12 -0.31 0.00 -2.12 0.00 0.00 56.10 53.87 2jxb s TRP 57 Cb 0.01 -3.07 -0.08 0.00 -0.81 0.00 0.00 33.47 29.52 2jxb s TRP 57 CO 0.19 -0.72 1.62 -0.51 -0.51 0.00 0.00 176.95 177.02 2jxb s LEU 58 N 2.45 4.36 0.00 2.99 1.43 0.93 -0.36 118.68 130.47 2jxb s LEU 58 Ca 0.18 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 2jxb s LEU 58 Cb -0.16 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2jxb s LEU 58 CO 0.16 -0.87 0.00 0.18 0.23 0.00 0.00 176.35 176.05 2jxb n LEU 59 N 5.70 0.01 -3.73 1.79 4.77 0.15 -4.29 117.00 121.39 2jxb n LEU 59 Ca 0.16 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 2jxb n LEU 59 Cb 0.41 -0.38 -0.17 0.00 -2.33 0.00 0.00 43.42 40.96 2jxb n LEU 59 CO 0.62 -0.38 -0.37 -0.62 -1.33 0.00 0.00 177.39 175.32 2jxb s ASP 60 N -3.26 2.54 -0.67 -1.43 2.15 -1.14 -4.91 116.67 109.96 2jxb s ASP 60 Ca 0.00 -0.62 0.05 0.00 0.43 0.00 0.00 52.55 52.40 2jxb s ASP 60 Cb 0.00 -0.53 0.16 0.00 -0.30 0.00 0.00 42.92 42.26 2jxb s ASP 60 CO 0.00 -0.28 0.45 1.51 -0.17 0.00 0.00 175.17 176.68 2jxb s ASP 61 N 1.91 4.63 -0.13 -0.34 1.47 -1.26 -2.18 116.67 120.77 2jxb s ASP 61 Ca 0.01 -3.70 -0.07 0.00 1.18 0.00 0.00 52.55 49.97 2jxb s ASP 61 Cb -0.16 -1.59 -0.05 0.00 -0.34 0.00 0.00 42.92 40.78 2jxb s ASP 61 CO -0.07 -0.11 -0.17 -1.20 0.68 0.00 0.00 175.17 174.30 2jxb n SER 62 N 2.17 0.93 -4.39 2.11 7.64 -1.26 -5.03 113.62 115.79 2jxb n SER 62 Ca 0.18 0.16 -0.27 0.00 1.01 0.00 0.00 58.87 59.95 2jxb n SER 62 Cb 0.35 -0.38 0.15 0.00 -1.01 0.00 0.00 64.21 63.32 2jxb n SER 62 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2jxb s LYS 63 N -2.24 1.12 0.54 1.43 0.00 -1.26 -4.93 119.74 114.40 2jxb s LYS 63 Ca -0.18 -0.83 0.33 0.00 0.00 0.00 0.00 55.97 55.28 2jxb s LYS 63 Cb 0.07 -2.10 1.50 0.00 0.00 0.00 0.00 37.83 37.29 2jxb s LYS 63 CO 0.23 -1.95 1.86 0.00 0.00 0.00 0.00 175.35 175.48 2jxb h THR 64 N -1.08 0.49 -2.93 3.79 1.03 -1.93 -3.39 112.91 108.90 2jxb h THR 64 Ca -0.40 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 65.35 2jxb h THR 64 Cb 1.25 0.51 -0.10 0.00 -1.07 0.00 0.00 68.15 68.74 2jxb h THR 64 CO 0.38 0.00 -0.51 0.26 -0.01 0.00 0.00 175.52 175.63 2jxb s TRP 65 N -4.93 3.46 0.08 0.00 0.52 -1.26 -2.01 118.94 114.80 2jxb s TRP 65 Ca -0.05 0.39 0.07 0.00 0.02 0.00 0.00 56.10 56.53 2jxb s TRP 65 Cb 0.21 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 2jxb s TRP 65 CO 0.76 0.56 -0.11 -1.58 0.02 0.00 0.00 176.95 176.60 2jxb s TRP 66 N -0.62 2.74 -0.21 -1.98 0.51 -0.51 -4.44 118.94 114.43 2jxb s TRP 66 Ca 0.12 -0.15 -0.04 0.00 -2.12 0.00 0.00 56.10 53.91 2jxb s TRP 66 Cb -0.12 -1.46 -0.02 0.00 -0.81 0.00 0.00 33.47 31.06 2jxb s TRP 66 CO 0.02 0.40 -0.02 0.50 -0.51 0.00 0.00 176.95 177.34 2jxb s ARG 67 N -2.00 3.49 0.28 4.98 3.52 -0.93 -1.83 118.95 126.46 2jxb s ARG 67 Ca 0.20 -0.58 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2jxb s ARG 67 Cb -0.11 -3.04 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 2jxb s ARG 67 CO 0.12 -0.10 0.01 0.14 -0.81 0.00 0.00 175.30 174.66 2jxb s VAL 68 N 1.25 1.19 0.12 7.11 -7.23 -1.14 0.31 120.40 122.01 2jxb s VAL 68 Ca 0.03 -2.04 0.11 0.00 -1.81 0.00 0.00 61.98 58.27 2jxb s VAL 68 Cb -0.14 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2jxb s VAL 68 CO -0.00 -0.19 -0.27 -0.60 -0.31 0.00 0.00 175.10 173.74 2jxb s ARG 69 N -3.85 1.44 0.52 4.82 3.52 0.51 -2.17 118.95 123.73 2jxb s ARG 69 Ca 0.32 -1.30 0.05 0.00 -0.13 0.00 0.00 55.73 54.67 2jxb s ARG 69 Cb 0.06 -1.88 0.05 0.00 -1.56 0.00 0.00 34.95 31.62 2jxb s ARG 69 CO 0.12 0.45 0.41 0.27 -0.81 0.00 0.00 175.30 175.74 2jxb n ASN 70 N 1.05 2.62 0.05 -2.12 6.94 -0.99 -0.27 115.26 122.54 2jxb n ASN 70 Ca -0.18 -2.76 0.07 0.00 -0.02 0.00 0.00 54.58 51.69 2jxb n ASN 70 Cb 0.53 -0.06 0.32 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 n ALA 71 N -1.95 1.45 1.91 -2.53 0.00 -1.26 -1.74 120.51 116.39 2jxb n ALA 71 Ca -0.16 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2jxb n ALA 71 Cb 0.59 -1.23 0.79 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.60 2.62 -2.01 0.00 0.00 -1.26 -4.86 120.51 113.39 2jxb n ALA 72 Ca 0.02 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 2jxb n ALA 72 Cb 0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.94 -4.53 -4.33 0.00 3.02 -0.71 -5.00 115.26 102.77 2jxb n ASN 73 Ca 0.20 0.10 -0.30 0.00 -0.03 0.00 0.00 54.58 54.55 2jxb n ASN 73 Cb 0.09 -3.57 -0.15 0.00 -0.61 0.00 0.00 39.78 35.54 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 -4.26 1.91 -0.16 3.52 6.06 -1.26 -4.98 118.95 119.78 2jxb s ARG 74 Ca 0.00 -1.04 -0.03 0.00 -2.50 0.00 0.00 55.73 52.16 2jxb s ARG 74 Cb 0.00 -2.00 -0.02 0.00 0.06 0.00 0.00 34.95 32.99 2jxb s ARG 74 CO 0.00 0.53 -0.07 0.95 -2.50 0.00 0.00 175.30 174.21 2jxb s THR 75 N -0.73 3.53 0.09 4.11 -4.23 -1.26 -2.36 115.64 114.79 2jxb s THR 75 Ca 0.11 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2jxb s THR 75 Cb -0.10 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.19 2jxb s THR 75 CO 0.01 0.49 0.04 0.61 -0.54 0.00 0.00 174.62 175.22 2jxb n GLY 76 N 3.80 3.88 3.50 3.99 0.00 -0.92 -5.00 105.19 114.44 2jxb n GLY 76 Ca -0.18 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.96 2.54 -0.08 1.61 1.51 -1.20 -2.87 117.35 116.89 2jxb s TYR 77 Ca 0.06 -0.26 -0.22 0.00 -1.01 0.00 0.00 57.07 55.63 2jxb s TYR 77 Cb 0.00 -1.33 0.05 0.00 -0.11 0.00 0.00 41.96 40.57 2jxb s TYR 77 CO 0.04 0.40 0.52 0.14 -1.11 0.00 0.00 175.55 175.55 2jxb s VAL 78 N -1.22 0.02 -0.01 0.71 -7.23 -0.76 -0.09 120.40 111.82 2jxb s VAL 78 Ca 0.19 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.90 2jxb s VAL 78 Cb -0.10 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 2jxb s VAL 78 CO 0.11 -0.09 1.46 -2.16 -0.31 0.00 0.00 175.10 174.11 2jxb s PRO 79 N -0.84 4.25 0.66 4.82 0.04 -1.26 -1.42 135.00 141.26 2jxb s PRO 79 Ca -0.09 2.03 0.38 0.00 0.04 0.00 0.00 61.00 63.36 2jxb s PRO 79 Cb -0.03 -3.65 2.09 0.00 0.04 0.00 0.00 34.50 32.96 2jxb s PRO 79 CO 0.06 -0.64 2.19 1.03 0.04 0.00 0.00 177.00 179.67 2jxb h SER 80 N 8.16 0.00 0.56 6.66 0.87 -1.72 0.96 113.55 129.03 2jxb h SER 80 Ca -0.38 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.09 2jxb h SER 80 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2jxb h SER 80 CO 0.92 0.00 -0.43 0.78 -0.53 0.00 0.00 176.83 177.57 2jxb h ASN 81 N 0.00 0.00 -0.25 6.23 4.21 -1.90 -2.62 115.58 121.25 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 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2jxb h ASN 81 CO -0.00 0.43 0.00 -1.22 -1.29 0.00 0.00 177.43 175.35 2jxb n TYR 82 N -3.84 0.31 -4.33 1.19 4.02 0.31 -4.94 117.16 109.88 2jxb n TYR 82 Ca -0.01 -0.15 -0.19 0.00 -0.01 0.00 0.00 57.90 57.54 2jxb n TYR 82 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.70 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 -1.69 1.70 -0.30 -0.72 0.11 -0.99 -0.77 120.40 117.73 2jxb s VAL 83 Ca 0.35 -2.12 -0.11 0.00 -2.93 0.00 0.00 61.98 57.17 2jxb s VAL 83 Cb 0.22 -1.96 0.13 0.00 -1.53 0.00 0.00 36.38 33.24 2jxb s VAL 83 CO 0.31 -0.54 0.69 -0.70 -3.33 0.00 0.00 175.10 171.53 2jxb s GLU 84 N -3.43 0.56 0.05 1.54 -6.30 0.12 -4.72 118.70 106.51 2jxb s GLU 84 Ca 0.20 1.37 -0.34 0.00 -2.50 0.00 0.00 54.97 53.70 2jxb s GLU 84 Cb -0.02 0.79 -0.13 0.00 0.00 0.00 0.00 34.13 34.77 2jxb s GLU 84 CO 0.06 -0.19 1.69 0.54 0.02 0.00 0.00 175.26 177.38 2jxb n ARG 85 N 5.33 2.07 -0.45 4.30 3.00 -1.26 -1.57 116.66 128.09 2jxb n ARG 85 Ca -0.12 0.75 0.00 0.00 -0.01 0.00 0.00 57.85 58.47 2jxb n ARG 85 Cb 0.50 -2.54 0.00 0.00 0.00 0.00 0.00 32.46 30.42 2jxb n ARG 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26