#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 3.21 0.42 -1.40 1.00 -1.26 -5.07 119.30 116.21 2jxb s MET 2 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 55.69 55.06 2jxb s MET 2 Cb 0.00 -3.92 -0.02 0.00 0.00 0.00 0.00 34.83 30.89 2jxb s MET 2 CO 0.00 -0.74 0.36 0.15 0.00 0.00 0.00 175.02 174.79 2jxb s LYS 3 N 2.02 2.48 -1.48 2.03 1.02 -1.26 -4.61 119.74 119.94 2jxb s LYS 3 Ca 0.11 -1.60 -0.06 0.00 0.02 0.00 0.00 55.97 54.44 2jxb s LYS 3 Cb -0.17 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 2jxb s LYS 3 CO 0.12 -0.21 0.61 -1.91 -0.92 0.00 0.00 175.35 173.05 2jxb n GLU 4 N -1.53 -4.68 -4.07 1.68 4.07 -1.26 -4.97 120.64 109.89 2jxb n GLU 4 Ca 0.03 0.79 -0.08 0.00 -0.06 0.00 0.00 57.16 57.85 2jxb n GLU 4 Cb 0.62 -5.63 -0.10 0.00 -0.06 0.00 0.00 31.44 26.28 2jxb n GLU 4 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2jxb s ARG 5 N -5.82 0.68 0.96 5.31 0.52 -1.26 -5.17 118.95 114.17 2jxb s ARG 5 Ca 0.35 -1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 54.22 2jxb s ARG 5 Cb -0.16 0.23 0.17 0.00 0.52 0.00 0.00 34.95 35.71 2jxb s ARG 5 CO 0.43 -0.15 1.09 -1.25 0.02 0.00 0.00 175.30 175.44 2jxb s PRO 6 N -3.93 0.72 0.97 3.54 0.04 -1.26 -5.04 135.00 130.04 2jxb s PRO 6 Ca 0.09 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 2jxb s PRO 6 Cb 0.07 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 33.03 2jxb s PRO 6 CO -0.09 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.23 2jxb s PRO 7 N -4.95 0.62 0.39 0.56 0.04 -1.26 -5.06 135.00 125.35 2jxb s PRO 7 Ca 0.65 0.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.22 2jxb s PRO 7 Cb -0.18 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2jxb s PRO 7 CO 0.57 -2.62 0.34 -0.35 0.04 0.00 0.00 177.00 174.99 2jxb n PRO 8 N -4.11 -1.71 -1.76 0.56 -0.04 -1.26 -4.95 135.00 121.73 2jxb n PRO 8 Ca 0.06 -0.55 -0.41 0.00 -0.04 0.00 0.00 63.50 62.55 2jxb n PRO 8 Cb 0.57 -0.52 -0.00 0.00 -0.04 0.00 0.00 33.50 33.51 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 -3.26 2.00 -1.43 0.52 0.24 -1.26 -4.84 118.33 110.30 2jxb n VAL 9 Ca 0.05 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.47 2jxb n VAL 9 Cb 0.19 -1.92 -0.06 0.00 -1.47 0.00 0.00 33.84 30.58 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 0.46 1.46 -3.21 7.34 -0.04 -1.26 -4.52 135.00 135.24 2jxb n PRO 10 Ca 0.02 -2.02 -0.26 0.00 -0.04 0.00 0.00 63.50 61.20 2jxb n PRO 10 Cb 0.38 -3.18 0.03 0.00 -0.04 0.00 0.00 33.50 30.69 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 9.94 -5.30 -4.75 3.54 6.94 -1.26 -4.84 115.26 119.53 2jxb n ASN 11 Ca 0.48 -0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.63 2jxb n ASN 11 Cb 0.43 -1.45 -0.03 0.00 -2.36 0.00 0.00 39.78 36.36 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 -1.85 4.42 -0.26 -0.53 0.04 -1.26 -4.95 135.00 130.60 2jxb s PRO 12 Ca 0.25 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.47 2jxb s PRO 12 Cb -0.03 -3.17 0.47 0.00 0.04 0.00 0.00 34.50 31.82 2jxb s PRO 12 CO 0.57 -0.17 1.17 -3.47 0.04 0.00 0.00 177.00 175.14 2jxb n ASP 13 N 1.99 3.60 0.20 6.66 4.64 -1.26 -4.77 116.55 127.61 2jxb n ASP 13 Ca 0.04 -3.24 0.14 0.00 -1.38 0.00 0.00 54.79 50.35 2jxb n ASP 13 Cb 0.43 -0.39 0.45 0.00 -1.04 0.00 0.00 41.12 40.57 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 2.14 0.00 -4.10 -0.67 -0.00 -2.02 -3.45 116.97 108.89 2jxb h TYR 14 Ca 0.18 0.00 -0.50 0.00 0.00 0.00 0.00 58.73 58.41 2jxb h TYR 14 Cb 1.43 0.00 0.08 0.00 0.00 0.00 0.00 36.73 38.24 2jxb h TYR 14 CO 0.72 0.00 0.43 -0.80 -0.00 0.00 0.00 178.16 178.51 2jxb s ASN 15 N -5.29 5.65 0.22 0.10 0.02 -1.26 -5.05 114.94 109.33 2jxb s ASN 15 Ca 0.05 2.17 0.00 0.00 -1.02 0.00 0.00 52.86 54.07 2jxb s ASN 15 Cb 0.09 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.74 2jxb s ASN 15 CO 0.55 -1.27 0.15 -0.55 0.02 0.00 0.00 177.10 176.01 2jxb s SER 16 N -1.83 0.43 -0.11 -1.22 0.15 -1.26 -5.16 113.70 104.69 2jxb s SER 16 Ca 0.72 -1.45 0.01 0.00 0.70 0.00 0.00 55.95 55.94 2jxb s SER 16 Cb -0.24 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2jxb s SER 16 CO 0.28 -0.87 -0.16 -0.76 1.20 0.00 0.00 173.24 172.93 2jxb s LEU 17 N -3.20 2.54 -1.62 3.45 2.01 -1.26 -4.61 118.68 116.00 2jxb s LEU 17 Ca 0.39 -0.38 -0.03 0.00 0.01 0.00 0.00 54.13 54.12 2jxb s LEU 17 Cb 0.06 -1.55 0.01 0.00 0.01 0.00 0.00 46.19 44.72 2jxb s LEU 17 CO 0.14 0.18 0.36 0.29 1.01 0.00 0.00 176.35 178.34 2jxb n LYS 18 N 3.41 -3.60 -0.75 1.70 5.02 -1.26 -4.93 118.16 117.74 2jxb n LYS 18 Ca -0.18 0.92 -0.33 0.00 -2.02 0.00 0.00 58.31 56.70 2jxb n LYS 18 Cb 0.53 -5.70 0.14 0.00 -0.02 0.00 0.00 35.03 29.97 2jxb n LYS 18 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2jxb n LYS 19 N -3.62 -0.66 0.00 1.97 2.85 -1.26 -4.77 118.16 112.67 2jxb n LYS 19 Ca -0.16 -0.15 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 2jxb n LYS 19 Cb 0.64 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 2jxb n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jxb n GLY 20 N 1.55 0.74 1.55 2.58 0.00 -1.26 -5.11 105.19 105.24 2jxb n GLY 20 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.00 -3.65 1.61 7.64 -1.26 -5.18 113.62 112.78 2jxb n SER 21 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2jxb n SER 21 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jxb n SER 21 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jxb s LEU 22 N -4.86 -0.04 -0.46 -3.43 1.43 -1.26 -5.10 118.68 104.97 2jxb s LEU 22 Ca 0.00 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2jxb s LEU 22 Cb 0.00 1.34 0.25 0.00 0.03 0.00 0.00 46.19 47.80 2jxb s LEU 22 CO 0.00 -0.28 0.57 1.33 0.23 0.00 0.00 176.35 178.21 2jxb n VAL 23 N -0.58 0.10 -2.65 -1.59 0.24 -1.26 -5.09 118.33 107.50 2jxb n VAL 23 Ca -0.06 -4.31 -0.43 0.00 -2.04 0.00 0.00 64.34 57.50 2jxb n VAL 23 Cb 0.62 -1.99 -0.02 0.00 -1.47 0.00 0.00 33.84 30.98 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 -1.47 4.17 0.38 7.34 2.47 -1.26 -5.02 119.74 126.35 2jxb s LYS 24 Ca 0.36 1.23 0.04 0.00 -1.56 0.00 0.00 55.97 56.03 2jxb s LYS 24 Cb 0.16 -3.69 -0.03 0.00 -1.46 0.00 0.00 37.83 32.81 2jxb s LYS 24 CO -0.09 -0.76 0.12 -0.80 0.16 0.00 0.00 175.35 173.98 2jxb s ASN 25 N 1.43 2.53 1.09 1.43 0.01 -1.26 -5.16 114.94 115.01 2jxb s ASN 25 Ca 0.45 -1.61 -0.07 0.00 -0.71 0.00 0.00 52.86 50.92 2jxb s ASN 25 Cb -0.14 0.39 0.11 0.00 0.41 0.00 0.00 41.25 42.02 2jxb s ASN 25 CO 0.11 -0.87 0.39 0.18 -1.51 0.00 0.00 177.10 175.39 2jxb n LEU 26 N -0.82 0.00 0.00 0.60 4.77 -1.26 -5.06 117.00 115.23 2jxb n LEU 26 Ca -0.04 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2jxb n LEU 26 Cb 0.65 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2jxb n LEU 26 CO 0.36 -1.43 0.00 1.41 -1.33 0.00 0.00 177.39 176.41 2jxb n HIS 27 N -3.35 0.00 -3.15 -1.77 8.25 -1.26 -5.06 115.22 108.88 2jxb n HIS 27 Ca 0.05 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.56 2jxb n HIS 27 Cb 0.21 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 2jxb n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jxb s MET 28 N -0.84 0.41 -0.26 -0.41 0.23 -1.26 -5.04 119.30 112.14 2jxb s MET 28 Ca 0.00 0.67 0.11 0.00 -1.03 0.00 0.00 55.69 55.44 2jxb s MET 28 Cb 0.00 0.36 0.33 0.00 -1.53 0.00 0.00 34.83 33.99 2jxb s MET 28 CO 0.00 -0.52 1.41 2.41 -2.03 0.00 0.00 175.02 176.29 2jxb n THR 29 N 5.42 0.06 -3.64 3.16 -1.04 -1.26 -5.13 114.28 111.86 2jxb n THR 29 Ca -0.01 -0.88 -0.03 0.00 -2.04 0.00 0.00 64.05 61.08 2jxb n THR 29 Cb 0.53 0.91 -0.05 0.00 -1.82 0.00 0.00 70.33 69.89 2jxb n THR 29 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2jxb s GLU 30 N -0.09 0.13 -0.43 -2.82 2.02 -1.26 -5.12 118.70 111.12 2jxb s GLU 30 Ca 0.08 0.07 0.05 0.00 0.02 0.00 0.00 54.97 55.19 2jxb s GLU 30 Cb 0.35 0.06 0.17 0.00 0.10 0.00 0.00 34.13 34.81 2jxb s GLU 30 CO -0.10 -0.03 0.45 -2.00 0.02 0.00 0.00 175.26 173.60 2jxb s GLU 31 N -0.65 0.91 0.21 1.61 2.12 -1.26 -5.11 118.70 116.53 2jxb s GLU 31 Ca 0.07 -1.65 0.07 0.00 0.36 0.00 0.00 54.97 53.82 2jxb s GLU 31 Cb -0.02 -0.95 -0.04 0.00 0.26 0.00 0.00 34.13 33.38 2jxb s GLU 31 CO -0.09 -1.34 0.11 0.08 -0.54 0.00 0.00 175.26 173.47 2jxb s VAL 32 N 0.48 4.19 -0.01 3.70 1.01 -1.26 -5.02 120.40 123.49 2jxb s VAL 32 Ca 0.30 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2jxb s VAL 32 Cb -0.00 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2jxb s VAL 32 CO -0.13 -0.22 0.01 -0.63 0.00 0.00 0.00 175.10 174.13 2jxb s ILE 33 N -1.94 -0.01 0.29 2.22 1.01 -1.26 -0.05 121.20 121.47 2jxb s ILE 33 Ca 0.31 0.10 0.09 0.00 0.00 0.00 0.00 60.65 61.15 2jxb s ILE 33 Cb -0.09 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.28 2jxb s ILE 33 CO 0.22 0.05 0.08 0.54 0.00 0.00 0.00 174.94 175.84 2jxb s VAL 34 N 0.55 3.41 -0.10 2.92 0.11 -0.95 -3.99 120.40 122.35 2jxb s VAL 34 Ca -0.05 -1.76 0.03 0.00 -2.93 0.00 0.00 61.98 57.27 2jxb s VAL 34 Cb -0.07 -2.97 0.01 0.00 -1.53 0.00 0.00 36.38 31.82 2jxb s VAL 34 CO -0.01 -0.29 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.66 2jxb s ILE 35 N -2.34 1.62 -0.29 7.04 -1.09 -0.75 -2.05 121.20 123.34 2jxb s ILE 35 Ca 0.34 -0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 57.73 2jxb s ILE 35 Cb -0.05 -1.45 -0.01 0.00 -1.58 0.00 0.00 42.46 39.37 2jxb s ILE 35 CO 0.22 0.46 1.55 0.00 -1.23 0.00 0.00 174.94 175.94 2jxb s ALA 36 N 0.72 3.18 0.49 9.38 0.00 0.62 0.09 121.76 136.25 2jxb s ALA 36 Ca -0.12 0.25 0.15 0.00 0.00 0.00 0.00 51.96 52.24 2jxb s ALA 36 Cb -0.16 -3.88 1.15 0.00 0.00 0.00 0.00 23.12 20.23 2jxb s ALA 36 CO 0.02 -2.11 2.09 0.87 0.00 0.00 0.00 175.76 176.64 2jxb h LYS 37 N 10.80 0.05 0.00 0.00 1.57 -0.85 -2.14 116.57 125.99 2jxb h LYS 37 Ca -0.31 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.21 2jxb h LYS 37 Cb 1.14 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.37 2jxb h LYS 37 CO 1.03 0.09 -0.21 0.91 -0.57 0.00 0.00 179.45 180.70 2jxb n TRP 38 N -4.47 -0.83 -3.64 -1.35 7.02 -1.18 -4.70 117.44 108.28 2jxb n TRP 38 Ca -0.02 -1.74 -0.39 0.00 -1.02 0.00 0.00 57.50 54.33 2jxb n TRP 38 Cb 0.14 0.29 -0.12 0.00 -2.42 0.00 0.00 31.31 29.20 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 -2.52 5.58 -0.01 -0.99 1.01 -1.26 -3.45 116.67 115.05 2jxb s ASP 39 Ca 0.23 -0.75 0.06 0.00 0.71 0.00 0.00 52.55 52.80 2jxb s ASP 39 Cb 0.00 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 2jxb s ASP 39 CO 0.16 -0.28 -0.20 -0.47 0.21 0.00 0.00 175.17 174.60 2jxb s TYR 40 N 1.57 1.79 -0.13 4.23 5.04 0.51 -4.94 117.35 125.42 2jxb s TYR 40 Ca 0.03 -0.34 -0.12 0.00 -2.44 0.00 0.00 57.07 54.20 2jxb s TYR 40 Cb -0.18 -1.14 -0.05 0.00 0.35 0.00 0.00 41.96 40.94 2jxb s TYR 40 CO 0.06 -0.01 0.26 0.99 -1.34 0.00 0.00 175.55 175.50 2jxb s THR 41 N -0.52 5.32 -0.44 4.34 2.01 -1.26 -0.08 115.64 125.00 2jxb s THR 41 Ca 0.08 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.26 2jxb s THR 41 Cb -0.08 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 2jxb s THR 41 CO -0.00 0.48 2.35 0.00 -0.69 0.00 0.00 174.62 176.76 2jxb n ALA 42 N 2.89 1.06 0.05 7.40 0.00 -1.25 -4.81 120.51 125.86 2jxb n ALA 42 Ca -0.15 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.60 2jxb n ALA 42 Cb 0.53 -2.88 -0.11 0.00 0.00 0.00 0.00 19.45 16.98 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 15.98 0.69 0.00 0.00 7.50 -1.89 -3.47 115.11 133.92 2jxb h GLN 43 Ca -0.27 -0.78 -0.16 0.00 0.50 0.00 0.00 58.65 57.94 2jxb h GLN 43 Cb 1.28 0.23 0.03 0.00 0.05 0.00 0.00 27.48 29.07 2jxb h GLN 43 CO 1.10 1.34 0.04 1.04 -1.50 0.00 0.00 178.83 180.86 2jxb n GLN 44 N -3.84 0.37 0.08 1.46 1.13 -1.26 -5.02 117.38 110.30 2jxb n GLN 44 Ca -0.12 -0.94 0.10 0.00 -1.94 0.00 0.00 57.00 54.10 2jxb n GLN 44 Cb 0.91 -0.23 -0.03 0.00 0.11 0.00 0.00 30.24 31.00 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 -2.97 0.73 0.02 1.08 5.68 -1.26 -4.05 116.55 115.79 2jxb n ASP 45 Ca 0.06 0.29 0.08 0.00 -0.50 0.00 0.00 54.79 54.71 2jxb n ASP 45 Cb 0.20 0.61 -0.11 0.00 -1.14 0.00 0.00 41.12 40.69 2jxb n ASP 45 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2jxb n GLN 46 N -2.65 0.64 -2.47 0.11 -0.06 -1.26 -4.94 117.38 106.75 2jxb n GLN 46 Ca -0.02 -0.03 -0.33 0.00 -2.00 0.00 0.00 57.00 54.61 2jxb n GLN 46 Cb 0.60 -1.65 -0.03 0.00 -4.06 0.00 0.00 30.24 25.10 2jxb n GLN 46 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2jxb s GLU 47 N -3.30 3.81 0.19 3.69 2.02 -1.26 -0.62 118.70 123.24 2jxb s GLU 47 Ca -0.05 1.20 0.08 0.00 0.02 0.00 0.00 54.97 56.22 2jxb s GLU 47 Cb 0.11 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 2jxb s GLU 47 CO 0.85 -0.40 -0.03 -1.17 0.02 0.00 0.00 175.26 174.53 2jxb s LEU 48 N -3.75 3.18 -0.21 1.80 0.20 -0.16 -4.59 118.68 115.14 2jxb s LEU 48 Ca 0.64 -0.50 -0.22 0.00 0.69 0.00 0.00 54.13 54.74 2jxb s LEU 48 Cb -0.13 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 2jxb s LEU 48 CO 0.24 0.08 0.68 -1.81 -0.29 0.00 0.00 176.35 175.25 2jxb s ASP 49 N -3.03 6.71 0.18 3.68 1.11 -1.26 -3.87 116.67 120.18 2jxb s ASP 49 Ca 0.27 0.86 0.07 0.00 0.18 0.00 0.00 52.55 53.94 2jxb s ASP 49 Cb -0.09 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.50 2jxb s ASP 49 CO 0.18 -0.34 -0.01 0.27 1.18 0.00 0.00 175.17 176.45 2jxb s ILE 50 N 2.21 3.68 0.28 0.77 -4.36 0.88 -4.91 121.20 119.74 2jxb s ILE 50 Ca 0.30 -1.46 0.08 0.00 -0.26 0.00 0.00 60.65 59.31 2jxb s ILE 50 Cb -0.16 -2.85 -0.06 0.00 1.25 0.00 0.00 42.46 40.65 2jxb s ILE 50 CO 0.10 -0.12 -0.10 -0.54 0.24 0.00 0.00 174.94 174.52 2jxb s LYS 51 N -2.96 1.57 0.17 0.37 1.02 -1.26 -0.37 119.74 118.28 2jxb s LYS 51 Ca 0.27 -1.77 -0.32 0.00 0.02 0.00 0.00 55.97 54.18 2jxb s LYS 51 Cb -0.09 -1.30 -0.11 0.00 -0.52 0.00 0.00 37.83 35.81 2jxb s LYS 51 CO 0.18 0.11 1.64 0.15 -0.92 0.00 0.00 175.35 176.52 2jxb s LYS 52 N -3.67 4.18 0.00 1.68 1.02 -1.22 -1.19 119.74 120.54 2jxb s LYS 52 Ca 0.29 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.73 2jxb s LYS 52 Cb 0.02 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2jxb s LYS 52 CO 0.12 -0.68 0.00 0.27 -0.92 0.00 0.00 175.35 174.14 2jxb n ASN 53 N 4.25 -0.08 -4.72 2.83 6.94 -0.81 -4.96 115.26 118.71 2jxb n ASN 53 Ca 0.15 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.29 2jxb n ASN 53 Cb 0.38 -0.87 -0.03 0.00 -2.36 0.00 0.00 39.78 36.90 2jxb n ASN 53 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2jxb s GLU 54 N -0.35 4.35 0.12 -3.83 2.56 -0.33 -4.76 118.70 116.46 2jxb s GLU 54 Ca 0.00 2.04 0.07 0.00 0.00 0.00 0.00 54.97 57.08 2jxb s GLU 54 Cb 0.00 -3.24 -0.04 0.00 2.00 0.00 0.00 34.13 32.85 2jxb s GLU 54 CO 0.00 -0.38 -0.07 -0.98 -0.56 0.00 0.00 175.26 173.28 2jxb s ARG 55 N 0.82 2.23 0.34 4.30 1.04 -1.26 -0.27 118.95 126.15 2jxb s ARG 55 Ca 0.62 -1.04 -0.02 0.00 -1.04 0.00 0.00 55.73 54.25 2jxb s ARG 55 Cb -0.36 -2.34 -0.00 0.00 -2.04 0.00 0.00 34.95 30.21 2jxb s ARG 55 CO 0.32 0.49 0.46 -0.51 -0.04 0.00 0.00 175.30 176.02 2jxb s LEU 56 N -2.43 1.05 -0.37 -1.89 1.02 -0.87 -4.85 118.68 110.33 2jxb s LEU 56 Ca 0.24 -1.49 -0.18 0.00 0.02 0.00 0.00 54.13 52.71 2jxb s LEU 56 Cb -0.11 1.40 0.00 0.00 0.02 0.00 0.00 46.19 47.50 2jxb s LEU 56 CO 0.16 -1.27 0.52 0.26 0.02 0.00 0.00 176.35 176.03 2jxb s TRP 57 N -3.12 3.16 -0.01 0.29 0.51 -0.84 -2.25 118.94 116.67 2jxb s TRP 57 Ca 0.31 0.07 -0.30 0.00 -2.12 0.00 0.00 56.10 54.06 2jxb s TRP 57 Cb -0.00 -2.98 -0.06 0.00 -0.81 0.00 0.00 33.47 29.62 2jxb s TRP 57 CO 0.20 -0.61 1.61 -0.51 -0.51 0.00 0.00 176.95 177.13 2jxb s LEU 58 N 2.42 4.33 0.00 2.99 1.43 0.93 -0.89 118.68 129.89 2jxb s LEU 58 Ca 0.18 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 2jxb s LEU 58 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2jxb s LEU 58 CO 0.14 -0.88 0.00 0.18 0.23 0.00 0.00 176.35 176.02 2jxb n LEU 59 N 6.43 0.17 -3.73 1.79 4.77 0.15 -4.31 117.00 122.27 2jxb n LEU 59 Ca 0.16 0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.95 2jxb n LEU 59 Cb 0.42 -0.34 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 2jxb n LEU 59 CO 0.62 -0.34 -0.37 -0.62 -1.33 0.00 0.00 177.39 175.35 2jxb s ASP 60 N -2.95 2.22 -0.62 -1.43 2.15 -1.12 -5.00 116.67 109.93 2jxb s ASP 60 Ca 0.00 -0.46 0.04 0.00 0.43 0.00 0.00 52.55 52.56 2jxb s ASP 60 Cb 0.00 -0.46 0.15 0.00 -0.30 0.00 0.00 42.92 42.31 2jxb s ASP 60 CO 0.00 -0.27 0.39 1.51 -0.17 0.00 0.00 175.17 176.64 2jxb s ASP 61 N 1.96 4.49 -0.13 -0.34 -4.77 -1.26 -2.14 116.67 114.49 2jxb s ASP 61 Ca 0.02 -3.48 -0.07 0.00 -3.30 0.00 0.00 52.55 45.73 2jxb s ASP 61 Cb -0.15 -1.58 -0.05 0.00 -1.09 0.00 0.00 42.92 40.05 2jxb s ASP 61 CO -0.07 -0.15 -0.17 -1.20 0.70 0.00 0.00 175.17 174.29 2jxb n SER 62 N 2.47 0.92 -4.41 2.11 7.64 -1.26 -5.03 113.62 116.06 2jxb n SER 62 Ca 0.14 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.92 2jxb n SER 62 Cb 0.34 -0.38 0.15 0.00 -1.01 0.00 0.00 64.21 63.31 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 1.15 0.56 1.43 0.00 -1.26 -4.93 119.74 114.45 2jxb s LYS 63 Ca -0.18 -0.96 0.31 0.00 0.00 0.00 0.00 55.97 55.14 2jxb s LYS 63 Cb 0.07 -2.15 1.46 0.00 0.00 0.00 0.00 37.83 37.21 2jxb s LYS 63 CO 0.22 -1.91 1.86 0.00 0.00 0.00 0.00 175.35 175.53 2jxb h THR 64 N -1.00 0.44 -2.96 3.79 1.03 -1.92 -3.39 112.91 108.90 2jxb h THR 64 Ca -0.38 0.00 -0.66 0.00 -0.01 0.00 0.00 66.41 65.36 2jxb h THR 64 Cb 1.25 0.54 -0.11 0.00 -1.07 0.00 0.00 68.15 68.76 2jxb h THR 64 CO 0.36 0.00 -0.53 0.26 -0.01 0.00 0.00 175.52 175.60 2jxb s TRP 65 N -4.81 3.42 0.07 0.00 0.52 -1.26 -2.00 118.94 114.88 2jxb s TRP 65 Ca -0.05 0.36 0.06 0.00 0.02 0.00 0.00 56.10 56.50 2jxb s TRP 65 Cb 0.19 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 2jxb s TRP 65 CO 0.67 0.55 -0.12 -1.58 0.02 0.00 0.00 176.95 176.50 2jxb s TRP 66 N -0.70 2.71 -0.17 -1.98 0.51 -0.48 -4.41 118.94 114.42 2jxb s TRP 66 Ca 0.12 -0.16 -0.04 0.00 -2.12 0.00 0.00 56.10 53.90 2jxb s TRP 66 Cb -0.12 -1.47 -0.03 0.00 -0.81 0.00 0.00 33.47 31.04 2jxb s TRP 66 CO 0.03 0.37 -0.03 0.50 -0.51 0.00 0.00 176.95 177.30 2jxb s ARG 67 N -1.83 3.64 0.33 4.98 3.52 -0.91 -1.83 118.95 126.84 2jxb s ARG 67 Ca 0.18 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.29 2jxb s ARG 67 Cb -0.11 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 2jxb s ARG 67 CO 0.10 0.17 0.12 0.14 -0.81 0.00 0.00 175.30 175.02 2jxb s VAL 68 N 0.55 0.59 0.00 7.11 -7.23 -1.20 0.31 120.40 120.54 2jxb s VAL 68 Ca -0.03 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.23 2jxb s VAL 68 Cb -0.14 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2jxb s VAL 68 CO 0.03 0.00 -0.26 -0.60 -0.31 0.00 0.00 175.10 173.96 2jxb s ARG 69 N -3.84 2.00 0.65 4.82 3.00 -0.07 -3.48 118.95 122.04 2jxb s ARG 69 Ca 0.33 -0.99 -0.05 0.00 -1.00 0.00 0.00 55.73 54.02 2jxb s ARG 69 Cb 0.06 -2.03 0.04 0.00 0.00 0.00 0.00 34.95 33.02 2jxb s ARG 69 CO 0.16 0.54 0.94 1.21 0.00 0.00 0.00 175.30 178.15 2jxb s ASN 70 N -0.86 5.10 0.47 -2.12 2.47 0.70 -1.99 114.94 118.71 2jxb s ASN 70 Ca 0.11 0.44 0.30 0.00 0.42 0.00 0.00 52.86 54.13 2jxb s ASN 70 Cb -0.10 -1.22 1.14 0.00 -1.45 0.00 0.00 41.25 39.61 2jxb s ASN 70 CO 0.00 -1.37 1.88 0.00 -3.72 0.00 0.00 177.10 173.89 2jxb h ALA 71 N -0.36 1.00 -0.52 1.71 0.00 -1.89 -2.77 119.26 116.43 2jxb h ALA 71 Ca -0.44 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 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 0.59 0.00 0.17 0.00 0.00 0.00 0.00 179.25 180.01 2jxb n ALA 72 N -2.02 3.94 -1.53 0.00 0.00 -1.26 -4.85 120.51 114.79 2jxb n ALA 72 Ca 0.02 -1.62 -0.14 0.00 0.00 0.00 0.00 53.44 51.70 2jxb n ALA 72 Cb 0.33 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 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 0.04 -4.59 -4.87 0.00 5.03 -1.05 -4.99 115.26 104.84 2jxb n ASN 73 Ca 0.28 0.29 -0.31 0.00 0.87 0.00 0.00 54.58 55.71 2jxb n ASN 73 Cb 1.08 -3.37 -0.04 0.00 -1.02 0.00 0.00 39.78 36.43 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 -3.39 3.83 0.00 3.52 6.06 -1.25 -4.86 118.95 122.87 2jxb s ARG 74 Ca 0.00 0.50 0.01 0.00 -2.50 0.00 0.00 55.73 53.74 2jxb s ARG 74 Cb 0.00 -2.42 -0.01 0.00 0.06 0.00 0.00 34.95 32.58 2jxb s ARG 74 CO 0.00 0.04 -0.05 0.95 -2.50 0.00 0.00 175.30 173.74 2jxb s THR 75 N -2.23 0.34 -0.03 4.11 -4.23 -1.26 -0.21 115.64 112.12 2jxb s THR 75 Ca 0.52 -0.31 -0.31 0.00 -1.18 0.00 0.00 61.69 60.41 2jxb s THR 75 Cb -0.10 -0.32 0.13 0.00 1.34 0.00 0.00 72.50 73.55 2jxb s THR 75 CO 0.27 0.02 1.32 -0.83 -0.54 0.00 0.00 174.62 174.86 2jxb s GLY 76 N -0.32 -0.43 0.26 3.99 0.00 -1.23 -4.79 107.32 104.81 2jxb s GLY 76 Ca -0.00 0.74 0.03 0.00 0.00 0.00 0.00 44.72 45.49 2jxb s GLY 76 CO -0.00 0.26 0.41 -0.19 0.00 0.00 0.00 173.10 173.58 2jxb s TYR 77 N -2.32 3.47 -0.10 1.90 1.51 0.21 -3.23 117.35 118.78 2jxb s TYR 77 Ca 0.15 0.10 -0.22 0.00 -1.01 0.00 0.00 57.07 56.09 2jxb s TYR 77 Cb 0.05 -1.67 0.05 0.00 -0.11 0.00 0.00 41.96 40.28 2jxb s TYR 77 CO -0.05 0.35 0.53 0.14 -1.11 0.00 0.00 175.55 175.41 2jxb s VAL 78 N -2.06 0.02 -0.02 0.71 -7.23 -0.76 -0.99 120.40 110.07 2jxb s VAL 78 Ca 0.36 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.10 2jxb s VAL 78 Cb -0.09 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.99 2jxb s VAL 78 CO 0.31 -0.07 1.46 -2.16 -0.31 0.00 0.00 175.10 174.33 2jxb s PRO 79 N -0.64 4.25 0.50 4.82 0.04 -1.26 -1.39 135.00 141.33 2jxb s PRO 79 Ca -0.07 2.02 0.34 0.00 0.04 0.00 0.00 61.00 63.32 2jxb s PRO 79 Cb -0.03 -3.67 1.83 0.00 0.04 0.00 0.00 34.50 32.67 2jxb s PRO 79 CO 0.05 -0.65 2.04 0.66 0.04 0.00 0.00 177.00 179.13 2jxb h SER 80 N 8.23 0.00 0.31 6.66 4.64 -1.73 -0.80 113.55 130.86 2jxb h SER 80 Ca -0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.82 2jxb h SER 80 Cb 1.17 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 -0.51 0.78 -0.87 0.00 0.00 176.83 177.15 2jxb h ASN 81 N 0.00 0.25 -0.24 4.97 4.21 -1.90 -2.81 115.58 120.06 2jxb h ASN 81 Ca 0.00 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.38 2jxb h ASN 81 Cb 0.01 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.14 2jxb h ASN 81 CO 0.00 0.72 0.00 -1.22 -1.29 0.00 0.00 177.43 175.64 2jxb n TYR 82 N -3.94 0.30 -4.41 1.19 4.01 -0.32 -4.93 117.16 109.05 2jxb n TYR 82 Ca -0.02 -0.15 -0.21 0.00 -0.16 0.00 0.00 57.90 57.36 2jxb n TYR 82 Cb 0.55 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.48 2jxb n TYR 82 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jxb s VAL 83 N -1.70 2.00 -0.30 -0.72 0.11 -1.06 -0.16 120.40 118.56 2jxb s VAL 83 Ca 0.35 -2.26 -0.04 0.00 -2.93 0.00 0.00 61.98 57.10 2jxb s VAL 83 Cb 0.21 -2.24 0.17 0.00 -1.53 0.00 0.00 36.38 32.99 2jxb s VAL 83 CO 0.30 -0.46 0.63 -0.70 -3.33 0.00 0.00 175.10 171.54 2jxb s GLU 84 N -3.61 0.56 0.68 1.54 -6.30 0.11 -4.74 118.70 106.94 2jxb s GLU 84 Ca 0.27 1.13 -0.11 0.00 -2.50 0.00 0.00 54.97 53.76 2jxb s GLU 84 Cb -0.01 0.65 -0.00 0.00 0.00 0.00 0.00 34.13 34.76 2jxb s GLU 84 CO 0.11 -0.48 1.06 -0.98 0.02 0.00 0.00 175.26 174.98 2jxb s ARG 85 N 2.87 3.10 0.00 4.30 1.70 -1.26 -1.82 118.95 127.84 2jxb s ARG 85 Ca 0.12 0.80 0.00 0.00 -0.47 0.00 0.00 55.73 56.18 2jxb s ARG 85 Cb -0.14 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.22 2jxb s ARG 85 CO -0.20 -0.94 0.00 1.63 -1.08 0.00 0.00 175.30 174.71