#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 -3.41 -3.86 -0.41 0.00 -1.26 -5.06 117.12 103.12 2jxb n MET 2 Ca 0.00 2.74 -0.12 0.00 0.00 0.00 0.00 57.70 60.32 2jxb n MET 2 Cb 0.00 -5.28 -0.13 0.00 0.00 0.00 0.00 33.22 27.80 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 -1.64 0.06 0.40 0.03 -2.85 -1.26 -5.11 119.74 109.38 2jxb s LYS 3 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.99 2jxb s LYS 3 Cb -0.00 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 2jxb s LYS 3 CO 0.76 -0.01 0.00 0.39 0.10 0.00 0.00 175.35 176.60 2jxb n GLU 4 N 2.98 -2.71 -4.12 1.78 -0.58 -1.26 -4.94 120.64 111.79 2jxb n GLU 4 Ca -0.13 1.99 -0.22 0.00 -0.42 0.00 0.00 57.16 58.38 2jxb n GLU 4 Cb 0.59 -3.25 -0.05 0.00 -0.57 0.00 0.00 31.44 28.17 2jxb n GLU 4 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jxb s ARG 5 N -2.92 2.78 0.96 3.49 1.81 -1.26 -5.12 118.95 118.69 2jxb s ARG 5 Ca 0.00 -1.15 -0.12 0.00 -1.72 0.00 0.00 55.73 52.74 2jxb s ARG 5 Cb 0.00 -2.47 0.17 0.00 -0.45 0.00 0.00 34.95 32.19 2jxb s ARG 5 CO 0.00 0.36 1.09 -1.25 -0.68 0.00 0.00 175.30 174.82 2jxb s PRO 6 N -3.83 0.73 0.97 3.54 0.04 -1.26 -5.04 135.00 130.16 2jxb s PRO 6 Ca 0.33 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 2jxb s PRO 6 Cb -0.07 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.88 2jxb s PRO 6 CO 0.24 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.57 2jxb s PRO 7 N -4.95 0.62 1.21 0.56 0.04 -1.26 -5.05 135.00 126.17 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 0.30 0.00 0.04 0.00 0.00 34.50 32.90 2jxb s PRO 7 CO 0.57 -2.62 1.08 -0.35 0.04 0.00 0.00 177.00 175.72 2jxb n PRO 8 N -4.11 -3.11 -1.76 0.56 -0.04 -1.26 -4.96 135.00 120.32 2jxb n PRO 8 Ca 0.06 -1.73 -0.41 0.00 -0.04 0.00 0.00 63.50 61.38 2jxb n PRO 8 Cb 0.57 -1.61 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -4.83 2.38 -1.36 0.52 0.24 -1.26 -4.84 118.33 109.19 2jxb n VAL 9 Ca 0.15 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.56 2jxb n VAL 9 Cb 0.58 -1.87 -0.06 0.00 -1.47 0.00 0.00 33.84 31.01 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 0.15 1.45 -3.24 7.34 -0.04 -1.26 -4.52 135.00 134.87 2jxb n PRO 10 Ca 0.03 -1.97 -0.25 0.00 -0.04 0.00 0.00 63.50 61.27 2jxb n PRO 10 Cb 0.40 -3.12 0.03 0.00 -0.04 0.00 0.00 33.50 30.77 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 -5.43 -4.75 3.54 0.23 -1.26 -4.84 115.26 112.19 2jxb n ASN 11 Ca 0.48 0.02 -0.41 0.00 -0.53 0.00 0.00 54.58 54.14 2jxb n ASN 11 Cb 0.42 -1.48 -0.03 0.00 -2.08 0.00 0.00 39.78 36.61 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 -1.84 4.42 -0.27 -0.53 0.04 -1.26 -4.95 135.00 130.60 2jxb s PRO 12 Ca 0.24 2.05 0.13 0.00 0.04 0.00 0.00 61.00 63.46 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 0.55 -0.17 1.17 -0.25 0.04 0.00 0.00 177.00 178.34 2jxb n ASP 13 N 2.01 3.63 0.20 6.66 9.92 -1.26 -4.78 116.55 132.93 2jxb n ASP 13 Ca 0.04 -3.17 0.14 0.00 -0.53 0.00 0.00 54.79 51.27 2jxb n ASP 13 Cb 0.43 -0.39 0.45 0.00 -0.64 0.00 0.00 41.12 40.96 2jxb n ASP 13 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2jxb h TYR 14 N 2.24 0.00 0.00 1.24 -0.00 -2.01 -3.45 116.97 114.98 2jxb h TYR 14 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.91 2jxb h TYR 14 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.17 2jxb h TYR 14 CO 0.72 0.00 0.00 -1.71 -0.00 0.00 0.00 178.16 177.17 2jxb n ASN 15 N -2.75 -0.43 0.00 0.10 4.05 -1.26 -5.09 115.26 109.88 2jxb n ASN 15 Ca 0.03 0.43 0.00 0.00 0.45 0.00 0.00 54.58 55.49 2jxb n ASN 15 Cb 0.38 0.75 0.00 0.00 1.23 0.00 0.00 39.78 42.14 2jxb n ASN 15 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 2jxb n SER 16 N -2.73 0.00 -0.97 1.20 2.88 -1.26 -5.01 113.62 107.72 2jxb n SER 16 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2jxb n SER 16 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.09 -0.17 -3.49 2.46 0.00 -1.26 -4.98 117.00 108.48 2jxb n LEU 17 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 56.01 55.18 2jxb n LEU 17 Cb 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 43.42 43.69 2jxb n LEU 17 CO 0.00 0.81 0.43 -0.75 0.00 0.00 0.00 177.39 177.88 2jxb s LYS 18 N 0.01 1.13 1.16 1.96 2.20 -1.26 -5.15 119.74 119.78 2jxb s LYS 18 Ca 0.00 0.01 -0.16 0.00 -0.36 0.00 0.00 55.97 55.47 2jxb s LYS 18 Cb 0.02 0.53 0.26 0.00 -1.51 0.00 0.00 37.83 37.14 2jxb s LYS 18 CO -0.01 -0.41 1.06 0.15 -0.36 0.00 0.00 175.35 175.79 2jxb s LYS 19 N -2.05 -0.84 0.00 4.03 3.01 -1.26 -4.95 119.74 117.68 2jxb s LYS 19 Ca -0.07 0.33 0.00 0.00 -1.01 0.00 0.00 55.97 55.22 2jxb s LYS 19 Cb -0.00 -1.61 0.00 0.00 -1.01 0.00 0.00 37.83 35.21 2jxb s LYS 19 CO 0.02 -3.54 0.00 0.41 0.51 0.00 0.00 175.35 172.75 2jxb n GLY 20 N -0.36 1.01 2.91 -3.33 0.00 -1.26 -5.06 105.19 99.10 2jxb n GLY 20 Ca 0.08 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 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 -7.50 -3.42 1.61 7.64 -1.26 -5.02 113.62 105.67 2jxb n SER 21 Ca 0.00 0.09 -0.05 0.00 1.01 0.00 0.00 58.87 59.92 2jxb n SER 21 Cb 0.00 -5.08 -0.06 0.00 -1.01 0.00 0.00 64.21 58.05 2jxb n SER 21 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2jxb s LEU 22 N -3.50 -0.85 -0.29 -3.43 0.05 -1.26 -5.09 118.68 104.32 2jxb s LEU 22 Ca 0.07 0.72 -0.26 0.00 0.05 0.00 0.00 54.13 54.71 2jxb s LEU 22 Cb -0.02 1.53 0.18 0.00 -2.05 0.00 0.00 46.19 45.83 2jxb s LEU 22 CO 0.71 -0.26 1.34 0.54 -0.55 0.00 0.00 176.35 178.13 2jxb s VAL 23 N 2.67 0.00 -0.19 1.48 0.11 -1.26 -5.10 120.40 118.11 2jxb s VAL 23 Ca 0.09 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.03 2jxb s VAL 23 Cb -0.14 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.75 2jxb s VAL 23 CO -0.16 0.00 0.21 0.29 -3.33 0.00 0.00 175.10 172.10 2jxb n LYS 24 N 1.46 -4.15 -3.06 1.54 5.02 -1.26 -5.07 118.16 112.63 2jxb n LYS 24 Ca -0.09 3.18 0.05 0.00 -2.02 0.00 0.00 58.31 59.43 2jxb n LYS 24 Cb 0.57 -4.80 0.00 0.00 -0.02 0.00 0.00 35.03 30.78 2jxb n LYS 24 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2jxb s ASN 25 N -0.72 -0.13 -0.23 4.39 -0.87 -1.26 -5.17 114.94 110.94 2jxb s ASN 25 Ca -0.24 0.00 -0.26 0.00 -1.57 0.00 0.00 52.86 50.79 2jxb s ASN 25 Cb 0.02 0.91 0.09 0.00 -0.02 0.00 0.00 41.25 42.25 2jxb s ASN 25 CO 0.74 -0.02 0.84 -0.22 -2.57 0.00 0.00 177.10 175.87 2jxb s LEU 26 N 2.80 -0.60 0.13 0.60 2.96 -1.26 -5.15 118.68 118.15 2jxb s LEU 26 Ca 0.29 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 55.10 2jxb s LEU 26 Cb 0.01 2.23 0.03 0.00 0.50 0.00 0.00 46.19 48.95 2jxb s LEU 26 CO -0.21 -0.28 0.37 -2.28 -1.32 0.00 0.00 176.35 172.63 2jxb s HIS 27 N -0.05 -0.10 -0.36 5.38 2.46 -1.26 -5.13 115.29 116.22 2jxb s HIS 27 Ca -0.01 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.28 2jxb s HIS 27 Cb -0.04 0.20 0.12 0.00 -0.13 0.00 0.00 32.58 32.73 2jxb s HIS 27 CO 0.00 -0.70 0.17 -1.64 -2.47 0.00 0.00 174.74 170.11 2jxb s MET 28 N -3.83 0.85 -0.09 2.88 -1.94 -1.26 -5.10 119.30 110.82 2jxb s MET 28 Ca 0.05 -1.43 -0.32 0.00 -1.71 0.00 0.00 55.69 52.28 2jxb s MET 28 Cb 0.02 -1.92 0.12 0.00 2.01 0.00 0.00 34.83 35.07 2jxb s MET 28 CO -0.10 -1.10 1.20 -0.08 -0.01 0.00 0.00 175.02 174.93 2jxb s THR 29 N 1.08 0.00 0.43 2.05 -1.32 -1.26 -5.16 115.64 111.46 2jxb s THR 29 Ca 0.14 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 2jxb s THR 29 Cb -0.21 -1.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 2jxb s THR 29 CO -0.11 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.68 2jxb n GLU 30 N -0.28 -3.31 -3.25 7.08 1.02 -1.26 -4.91 120.64 115.72 2jxb n GLU 30 Ca -0.04 2.52 -0.25 0.00 -0.02 0.00 0.00 57.16 59.38 2jxb n GLU 30 Cb 0.60 -3.02 -0.07 0.00 -0.02 0.00 0.00 31.44 28.93 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 -1.77 1.44 -4.14 3.49 4.71 -1.26 -5.04 120.64 118.07 2jxb n GLU 31 Ca 0.00 -3.78 -0.25 0.00 -0.01 0.00 0.00 57.16 53.12 2jxb n GLU 31 Cb 0.22 -1.64 -0.06 0.00 -1.01 0.00 0.00 31.44 28.95 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 -1.85 4.16 -0.02 2.62 1.01 -1.26 -5.02 120.40 120.04 2jxb s VAL 32 Ca 0.38 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 2jxb s VAL 32 Cb 0.18 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2jxb s VAL 32 CO -0.08 -0.18 0.04 -0.63 0.00 0.00 0.00 175.10 174.25 2jxb s ILE 33 N -1.88 -0.03 0.30 2.22 1.01 -1.26 -0.09 121.20 121.47 2jxb s ILE 33 Ca 0.30 0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.17 2jxb s ILE 33 Cb -0.09 -0.08 -0.05 0.00 0.01 0.00 0.00 42.46 42.26 2jxb s ILE 33 CO 0.22 0.05 0.01 0.54 0.00 0.00 0.00 174.94 175.76 2jxb s VAL 34 N 0.63 3.02 -0.10 2.92 0.11 -1.00 -4.30 120.40 121.69 2jxb s VAL 34 Ca -0.05 -1.94 0.02 0.00 -2.93 0.00 0.00 61.98 57.08 2jxb s VAL 34 Cb -0.07 -2.81 0.01 0.00 -1.53 0.00 0.00 36.38 31.98 2jxb s VAL 34 CO -0.02 -0.28 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.68 2jxb s ILE 35 N -2.42 1.48 -0.24 7.04 1.01 -0.89 -1.80 121.20 125.39 2jxb s ILE 35 Ca 0.34 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 2jxb s ILE 35 Cb -0.04 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2jxb s ILE 35 CO 0.20 0.44 1.54 0.00 0.00 0.00 0.00 174.94 177.11 2jxb s ALA 36 N 0.86 3.29 0.47 9.38 0.00 0.85 0.18 121.76 136.79 2jxb s ALA 36 Ca -0.09 0.38 0.15 0.00 0.00 0.00 0.00 51.96 52.39 2jxb s ALA 36 Cb -0.15 -3.83 1.12 0.00 0.00 0.00 0.00 23.12 20.25 2jxb s ALA 36 CO 0.01 -1.91 2.05 0.87 0.00 0.00 0.00 175.76 176.78 2jxb h LYS 37 N 10.38 0.25 0.00 0.00 1.57 -1.19 -0.53 116.57 127.05 2jxb h LYS 37 Ca -0.32 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2jxb h LYS 37 Cb 1.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2jxb h LYS 37 CO 1.01 0.16 0.00 0.91 -0.57 0.00 0.00 179.45 180.96 2jxb n TRP 38 N -4.48 -0.22 -3.79 -1.35 7.02 -1.21 -4.52 117.44 108.90 2jxb n TRP 38 Ca 0.04 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.16 2jxb n TRP 38 Cb 0.25 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.01 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 -0.91 4.96 0.01 -0.99 1.47 -1.26 -3.00 116.67 116.95 2jxb s ASP 39 Ca 0.00 -0.51 0.06 0.00 1.18 0.00 0.00 52.55 53.28 2jxb s ASP 39 Cb 0.00 -1.86 -0.02 0.00 -0.34 0.00 0.00 42.92 40.70 2jxb s ASP 39 CO 0.00 -0.11 -0.20 -0.47 0.68 0.00 0.00 175.17 175.07 2jxb s TYR 40 N 1.52 1.74 -0.18 2.11 5.04 0.56 -4.93 117.35 123.21 2jxb s TYR 40 Ca 0.04 -0.34 -0.09 0.00 -2.44 0.00 0.00 57.07 54.24 2jxb s TYR 40 Cb -0.16 -1.09 -0.05 0.00 0.35 0.00 0.00 41.96 41.02 2jxb s TYR 40 CO 0.02 0.01 0.12 -0.08 -1.34 0.00 0.00 175.55 174.28 2jxb s THR 41 N -0.59 5.29 0.09 4.34 -1.32 -1.26 -0.33 115.64 121.86 2jxb s THR 41 Ca 0.07 0.15 -0.34 0.00 -1.21 0.00 0.00 61.69 60.36 2jxb s THR 41 Cb -0.08 -3.39 -0.13 0.00 -1.51 0.00 0.00 72.50 67.39 2jxb s THR 41 CO 0.00 0.47 1.69 0.00 -2.21 0.00 0.00 174.62 174.57 2jxb n ALA 42 N 3.28 1.33 -0.04 11.08 0.00 -1.25 -4.88 120.51 130.02 2jxb n ALA 42 Ca -0.17 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 2jxb n ALA 42 Cb 0.52 -2.42 -0.13 0.00 0.00 0.00 0.00 19.45 17.43 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 7.08 0.14 0.00 0.00 7.50 -1.91 -3.48 115.11 124.44 2jxb h GLN 43 Ca -0.46 -0.24 0.00 0.00 0.50 0.00 0.00 58.65 58.45 2jxb h GLN 43 Cb 1.25 0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.87 2jxb h GLN 43 CO 0.91 1.11 0.00 1.04 -1.50 0.00 0.00 178.83 180.40 2jxb n GLN 44 N -4.06 0.70 0.04 1.46 1.13 -1.26 -5.01 117.38 110.38 2jxb n GLN 44 Ca -0.29 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.89 2jxb n GLN 44 Cb 0.83 0.00 0.12 0.00 0.11 0.00 0.00 30.24 31.30 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2jxb n ASP 45 N -2.86 0.63 0.01 1.08 8.00 -1.26 -3.91 116.55 118.24 2jxb n ASP 45 Ca 0.00 -0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.52 2jxb n ASP 45 Cb 0.00 0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 41.42 2jxb n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxb n GLN 46 N -1.94 0.54 -1.68 -1.24 10.64 -1.26 -4.96 117.38 117.47 2jxb n GLN 46 Ca 0.03 -0.12 -0.31 0.00 -1.83 0.00 0.00 57.00 54.77 2jxb n GLN 46 Cb 0.42 -1.56 0.05 0.00 -0.86 0.00 0.00 30.24 28.29 2jxb n GLN 46 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2jxb s GLU 47 N -3.41 2.83 0.06 2.61 0.41 -1.25 -2.09 118.70 117.85 2jxb s GLU 47 Ca -0.04 0.74 0.07 0.00 -0.41 0.00 0.00 54.97 55.33 2jxb s GLU 47 Cb 0.14 -1.99 -0.03 0.00 -1.78 0.00 0.00 34.13 30.47 2jxb s GLU 47 CO 0.88 -1.12 -0.19 -1.17 -0.49 0.00 0.00 175.26 173.17 2jxb s LEU 48 N -5.50 2.20 -0.33 1.80 0.20 -0.64 -4.61 118.68 111.80 2jxb s LEU 48 Ca 0.58 -0.55 -0.24 0.00 0.69 0.00 0.00 54.13 54.62 2jxb s LEU 48 Cb -0.13 -0.86 0.00 0.00 -0.43 0.00 0.00 46.19 44.78 2jxb s LEU 48 CO 0.54 0.10 0.80 -1.81 -0.29 0.00 0.00 176.35 175.69 2jxb s ASP 49 N -1.35 6.63 0.10 3.68 1.11 -1.26 -3.90 116.67 121.68 2jxb s ASP 49 Ca 0.06 0.57 0.03 0.00 0.18 0.00 0.00 52.55 53.38 2jxb s ASP 49 Cb -0.09 -2.41 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 2jxb s ASP 49 CO 0.02 -0.67 0.11 0.27 1.18 0.00 0.00 175.17 176.08 2jxb s ILE 50 N 3.05 4.61 0.28 0.77 -4.36 0.55 -4.92 121.20 121.18 2jxb s ILE 50 Ca 0.33 -0.80 0.09 0.00 -0.26 0.00 0.00 60.65 60.00 2jxb s ILE 50 Cb -0.14 -3.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.27 2jxb s ILE 50 CO 0.14 0.07 0.06 -0.75 0.24 0.00 0.00 174.94 174.71 2jxb s LYS 51 N -2.58 2.42 0.23 0.37 2.20 -1.26 -0.32 119.74 120.80 2jxb s LYS 51 Ca 0.30 -1.39 -0.30 0.00 -0.36 0.00 0.00 55.97 54.22 2jxb s LYS 51 Cb -0.12 -2.23 -0.10 0.00 -1.51 0.00 0.00 37.83 33.87 2jxb s LYS 51 CO 0.23 0.31 1.49 -1.59 -0.36 0.00 0.00 175.35 175.42 2jxb s LYS 52 N -3.74 4.24 -0.74 4.03 -2.85 -1.16 -1.72 119.74 117.79 2jxb s LYS 52 Ca 0.33 2.34 0.00 0.00 -1.00 0.00 0.00 55.97 57.64 2jxb s LYS 52 Cb -0.06 -3.11 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 2jxb s LYS 52 CO 0.21 -0.49 0.00 -1.71 0.10 0.00 0.00 175.35 173.47 2jxb n ASN 53 N 2.74 -5.04 -4.75 0.03 5.15 -0.21 -4.96 115.26 108.22 2jxb n ASN 53 Ca 0.09 0.17 -0.40 0.00 -0.60 0.00 0.00 54.58 53.84 2jxb n ASN 53 Cb 0.40 -3.16 -0.05 0.00 -0.53 0.00 0.00 39.78 36.43 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 -2.30 4.59 0.12 1.20 2.56 -0.70 -4.81 118.70 119.35 2jxb s GLU 54 Ca 0.00 1.21 0.06 0.00 0.00 0.00 0.00 54.97 56.24 2jxb s GLU 54 Cb 0.00 -3.33 -0.04 0.00 2.00 0.00 0.00 34.13 32.76 2jxb s GLU 54 CO 0.00 0.37 -0.03 -0.98 -0.56 0.00 0.00 175.26 174.07 2jxb s ARG 55 N -0.45 2.39 0.34 4.30 1.04 -1.26 -0.11 118.95 125.21 2jxb s ARG 55 Ca 0.40 -0.97 -0.04 0.00 -1.04 0.00 0.00 55.73 54.08 2jxb s ARG 55 Cb -0.22 -2.42 0.01 0.00 -2.04 0.00 0.00 34.95 30.27 2jxb s ARG 55 CO 0.26 0.50 0.49 -0.51 -0.04 0.00 0.00 175.30 176.01 2jxb s LEU 56 N -2.48 0.91 -0.40 -1.89 1.02 -0.74 -4.91 118.68 110.19 2jxb s LEU 56 Ca 0.25 -1.43 -0.18 0.00 0.02 0.00 0.00 54.13 52.78 2jxb s LEU 56 Cb -0.11 1.56 0.01 0.00 0.02 0.00 0.00 46.19 47.68 2jxb s LEU 56 CO 0.17 -1.31 0.52 0.26 0.02 0.00 0.00 176.35 176.01 2jxb s TRP 57 N -3.06 3.14 0.05 0.29 0.51 0.34 -2.36 118.94 117.85 2jxb s TRP 57 Ca 0.29 -0.09 -0.30 0.00 -2.12 0.00 0.00 56.10 53.88 2jxb s TRP 57 Cb -0.01 -3.02 -0.08 0.00 -0.81 0.00 0.00 33.47 29.55 2jxb s TRP 57 CO 0.19 -0.68 1.61 -0.51 -0.51 0.00 0.00 176.95 177.04 2jxb s LEU 58 N 2.41 4.35 0.00 2.99 1.43 0.87 -0.45 118.68 130.28 2jxb s LEU 58 Ca 0.17 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 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 0.15 -0.86 0.00 0.18 0.23 0.00 0.00 176.35 176.05 2jxb n LEU 59 N 5.68 0.04 -3.74 1.79 4.77 0.16 -4.30 117.00 121.40 2jxb n LEU 59 Ca 0.15 0.02 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 2jxb n LEU 59 Cb 0.41 -0.35 -0.17 0.00 -2.33 0.00 0.00 43.42 40.98 2jxb n LEU 59 CO 0.62 -0.35 -0.37 -1.81 -1.33 0.00 0.00 177.39 174.15 2jxb s ASP 60 N -3.08 2.50 -0.64 -1.43 1.11 -1.14 -5.00 116.67 108.99 2jxb s ASP 60 Ca 0.00 -0.60 0.05 0.00 0.18 0.00 0.00 52.55 52.17 2jxb s ASP 60 Cb 0.00 -0.53 0.16 0.00 1.07 0.00 0.00 42.92 43.62 2jxb s ASP 60 CO 0.00 -0.28 0.42 1.51 1.18 0.00 0.00 175.17 178.00 2jxb s ASP 61 N 1.91 4.53 -0.13 0.27 -4.77 -1.26 -2.21 116.67 115.02 2jxb s ASP 61 Ca 0.01 -3.58 -0.07 0.00 -3.30 0.00 0.00 52.55 45.61 2jxb s ASP 61 Cb -0.16 -1.57 -0.06 0.00 -1.09 0.00 0.00 42.92 40.05 2jxb s ASP 61 CO -0.07 -0.13 -0.17 -1.20 0.70 0.00 0.00 175.17 174.30 2jxb n SER 62 N 2.33 0.95 -4.37 2.11 7.64 -1.26 -5.03 113.62 115.99 2jxb n SER 62 Ca 0.16 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.94 2jxb n SER 62 Cb 0.35 -0.39 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 -2.25 1.07 0.57 1.43 0.00 -1.26 -4.93 119.74 114.37 2jxb s LYS 63 Ca -0.18 -0.91 0.30 0.00 0.00 0.00 0.00 55.97 55.18 2jxb s LYS 63 Cb 0.07 -2.11 1.45 0.00 0.00 0.00 0.00 37.83 37.24 2jxb s LYS 63 CO 0.23 -1.97 1.86 0.00 0.00 0.00 0.00 175.35 175.47 2jxb h THR 64 N -1.08 0.41 -3.03 3.79 1.03 -1.92 -3.39 112.91 108.72 2jxb h THR 64 Ca -0.39 0.00 -0.66 0.00 -0.01 0.00 0.00 66.41 65.36 2jxb h THR 64 Cb 1.24 0.56 -0.12 0.00 -1.07 0.00 0.00 68.15 68.76 2jxb h THR 64 CO 0.36 0.00 -0.54 0.26 -0.01 0.00 0.00 175.52 175.59 2jxb s TRP 65 N -4.75 3.38 0.09 0.00 0.52 -1.26 -1.99 118.94 114.93 2jxb s TRP 65 Ca -0.04 0.31 0.07 0.00 0.02 0.00 0.00 56.10 56.46 2jxb s TRP 65 Cb 0.18 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 2jxb s TRP 65 CO 0.63 0.50 -0.12 -1.58 0.02 0.00 0.00 176.95 176.40 2jxb s TRP 66 N -0.59 2.69 -0.19 -1.98 0.51 -0.49 -4.42 118.94 114.47 2jxb s TRP 66 Ca 0.11 -0.18 -0.04 0.00 -2.12 0.00 0.00 56.10 53.88 2jxb s TRP 66 Cb -0.12 -1.44 -0.02 0.00 -0.81 0.00 0.00 33.47 31.08 2jxb s TRP 66 CO 0.02 0.39 -0.04 0.50 -0.51 0.00 0.00 176.95 177.31 2jxb s ARG 67 N -1.99 3.50 0.29 4.98 3.52 -0.94 -1.83 118.95 126.48 2jxb s ARG 67 Ca 0.19 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 2jxb s ARG 67 Cb -0.11 -2.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.27 2jxb s ARG 67 CO 0.11 0.01 0.06 0.14 -0.81 0.00 0.00 175.30 174.81 2jxb s VAL 68 N 0.95 1.00 0.09 7.11 -7.23 -1.18 0.35 120.40 121.48 2jxb s VAL 68 Ca -0.00 -2.01 0.09 0.00 -1.81 0.00 0.00 61.98 58.25 2jxb s VAL 68 Cb -0.15 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2jxb s VAL 68 CO 0.01 -0.06 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.91 2jxb s ARG 69 N -3.92 1.32 0.52 4.82 3.52 0.40 -2.62 118.95 122.99 2jxb s ARG 69 Ca 0.36 -1.13 0.08 0.00 -0.13 0.00 0.00 55.73 54.90 2jxb s ARG 69 Cb 0.08 -1.58 0.08 0.00 -1.56 0.00 0.00 34.95 31.96 2jxb s ARG 69 CO 0.14 0.38 0.65 0.27 -0.81 0.00 0.00 175.30 175.94 2jxb n ASN 70 N 1.33 2.03 0.16 -2.12 6.94 -0.76 -0.50 115.26 122.33 2jxb n ASN 70 Ca -0.18 -2.44 0.12 0.00 -0.02 0.00 0.00 54.58 52.06 2jxb n ASN 70 Cb 0.53 -0.32 0.57 0.00 -2.36 0.00 0.00 39.78 38.20 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 0.25 1.00 -0.15 -2.53 0.00 -1.90 -1.44 119.26 114.49 2jxb h ALA 71 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jxb h ALA 71 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jxb h ALA 71 CO 0.38 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.63 2jxb n ALA 72 N -1.80 2.50 -1.17 0.00 0.00 -1.26 -4.86 120.51 113.92 2jxb n ALA 72 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 2jxb n ALA 72 Cb 0.15 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -5.04 -4.83 0.00 3.02 -0.54 -4.97 115.26 102.84 2jxb n ASN 73 Ca 0.09 0.14 -0.37 0.00 -0.03 0.00 0.00 54.58 54.41 2jxb n ASN 73 Cb 0.17 -3.06 -0.06 0.00 -0.61 0.00 0.00 39.78 36.22 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 -2.16 4.03 -0.07 3.52 6.06 -1.26 -4.89 118.95 124.19 2jxb s ARG 74 Ca 0.00 0.54 0.05 0.00 -2.50 0.00 0.00 55.73 53.82 2jxb s ARG 74 Cb 0.00 -3.13 -0.01 0.00 0.06 0.00 0.00 34.95 31.87 2jxb s ARG 74 CO 0.00 0.60 -0.24 0.95 -2.50 0.00 0.00 175.30 174.12 2jxb s THR 75 N -1.22 2.16 0.01 4.11 -4.23 -1.26 -1.84 115.64 113.37 2jxb s THR 75 Ca 0.30 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 2jxb s THR 75 Cb -0.17 -1.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.87 2jxb s THR 75 CO 0.17 0.57 0.01 0.61 -0.54 0.00 0.00 174.62 175.44 2jxb n GLY 76 N 3.04 3.34 3.49 3.99 0.00 -1.08 -4.99 105.19 112.99 2jxb n GLY 76 Ca -0.18 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 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 -4.29 2.54 -0.07 1.61 1.51 -0.89 -3.13 117.35 114.62 2jxb s TYR 77 Ca 0.01 -0.26 -0.22 0.00 -1.01 0.00 0.00 57.07 55.59 2jxb s TYR 77 Cb -0.00 -1.34 0.05 0.00 -0.11 0.00 0.00 41.96 40.56 2jxb s TYR 77 CO 0.00 0.40 0.50 0.14 -1.11 0.00 0.00 175.55 175.48 2jxb s VAL 78 N -1.20 0.02 -0.03 0.71 -7.23 -0.76 -1.62 120.40 110.29 2jxb s VAL 78 Ca 0.18 -0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.87 2jxb s VAL 78 Cb -0.10 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.00 2jxb s VAL 78 CO 0.10 -0.10 1.47 -2.16 -0.31 0.00 0.00 175.10 174.10 2jxb s PRO 79 N -0.88 4.24 0.63 4.82 0.04 -1.26 -1.40 135.00 141.19 2jxb s PRO 79 Ca -0.09 2.02 0.39 0.00 0.04 0.00 0.00 61.00 63.35 2jxb s PRO 79 Cb -0.03 -3.70 2.12 0.00 0.04 0.00 0.00 34.50 32.93 2jxb s PRO 79 CO 0.05 -0.67 2.19 0.66 0.04 0.00 0.00 177.00 179.27 2jxb h SER 80 N 8.35 0.00 0.56 6.66 4.64 -1.72 0.38 113.55 132.41 2jxb h SER 80 Ca -0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 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 0.93 0.00 -0.47 0.78 -0.87 0.00 0.00 176.83 177.20 2jxb h ASN 81 N 0.00 0.00 -0.25 4.97 4.21 -1.90 -2.67 115.58 119.95 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 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2jxb h ASN 81 CO 0.00 0.47 0.00 -1.22 -1.29 0.00 0.00 177.43 175.39 2jxb n TYR 82 N -3.86 0.31 -4.31 1.19 4.02 0.11 -4.93 117.16 109.69 2jxb n TYR 82 Ca -0.01 -0.15 -0.18 0.00 -0.01 0.00 0.00 57.90 57.54 2jxb n TYR 82 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.72 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 1.59 -0.30 -0.72 0.11 -1.01 -0.67 120.40 117.72 2jxb s VAL 83 Ca 0.35 -2.03 -0.09 0.00 -2.93 0.00 0.00 61.98 57.28 2jxb s VAL 83 Cb 0.21 -1.87 0.14 0.00 -1.53 0.00 0.00 36.38 33.33 2jxb s VAL 83 CO 0.31 -0.53 0.67 -0.70 -3.33 0.00 0.00 175.10 171.52 2jxb s GLU 84 N -3.30 0.56 -0.01 1.54 2.12 0.13 -4.75 118.70 114.99 2jxb s GLU 84 Ca 0.18 1.34 -0.32 0.00 0.36 0.00 0.00 54.97 56.53 2jxb s GLU 84 Cb -0.02 0.80 -0.11 0.00 0.26 0.00 0.00 34.13 35.06 2jxb s GLU 84 CO 0.05 -0.25 1.90 0.54 -0.54 0.00 0.00 175.26 176.95 2jxb n ARG 85 N 5.42 2.49 -0.58 4.30 3.00 -1.26 -2.09 116.66 127.93 2jxb n ARG 85 Ca -0.10 0.91 0.00 0.00 -0.01 0.00 0.00 57.85 58.65 2jxb n ARG 85 Cb 0.50 -2.80 0.00 0.00 0.00 0.00 0.00 32.46 30.16 2jxb n ARG 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26