#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 0.00 -0.35 -0.41 2.81 -1.26 -5.13 117.12 112.77 2jxb n MET 2 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 2jxb n MET 2 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 32.54 2jxb n MET 2 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2jxb n LYS 3 N -3.01 -0.13 -1.35 0.03 5.02 -1.26 -5.00 118.16 112.47 2jxb n LYS 3 Ca 0.00 -0.33 -0.17 0.00 -2.02 0.00 0.00 58.31 55.80 2jxb n LYS 3 Cb 0.00 -0.20 0.11 0.00 -0.02 0.00 0.00 35.03 34.92 2jxb n LYS 3 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jxb n GLU 4 N -1.42 2.63 -4.24 1.97 2.13 -1.26 -5.01 120.64 115.45 2jxb n GLU 4 Ca 0.03 -3.58 -0.14 0.00 0.66 0.00 0.00 57.16 54.13 2jxb n GLU 4 Cb 0.09 -2.06 -0.10 0.00 0.27 0.00 0.00 31.44 29.63 2jxb n GLU 4 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2jxb s ARG 5 N -3.49 1.04 0.97 5.31 0.52 -1.26 -5.16 118.95 116.88 2jxb s ARG 5 Ca 0.50 -1.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.14 2jxb s ARG 5 Cb 0.43 -0.52 0.17 0.00 0.52 0.00 0.00 34.95 35.55 2jxb s ARG 5 CO 0.01 0.03 1.09 -1.25 0.02 0.00 0.00 175.30 175.20 2jxb s PRO 6 N -3.78 0.69 0.97 3.54 0.04 -1.26 -4.96 135.00 130.23 2jxb s PRO 6 Ca 0.17 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 2jxb s PRO 6 Cb 0.04 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.99 2jxb s PRO 6 CO 0.00 -2.58 1.09 -1.25 0.04 0.00 0.00 177.00 174.31 2jxb s PRO 7 N -4.95 0.66 1.18 0.56 0.04 -1.26 -5.05 135.00 126.18 2jxb s PRO 7 Ca 0.65 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 2jxb s PRO 7 Cb -0.18 -1.76 0.28 0.00 0.04 0.00 0.00 34.50 32.88 2jxb s PRO 7 CO 0.57 -2.60 1.11 -1.25 0.04 0.00 0.00 177.00 174.87 2jxb s PRO 8 N -4.96 -1.05 0.46 0.56 0.04 -1.26 -4.96 135.00 123.83 2jxb s PRO 8 Ca 0.65 -0.00 -0.23 0.00 0.04 0.00 0.00 61.00 61.45 2jxb s PRO 8 Cb -0.18 -1.61 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 2jxb s PRO 8 CO 0.57 -3.61 0.99 1.33 0.04 0.00 0.00 177.00 176.32 2jxb n VAL 9 N -4.70 2.63 -1.31 -0.36 0.24 -1.26 -4.79 118.33 108.78 2jxb n VAL 9 Ca 0.12 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.52 2jxb n VAL 9 Cb 0.59 -1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 31.75 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 -0.05 1.43 -3.18 7.34 -0.04 -1.26 -4.53 135.00 134.71 2jxb n PRO 10 Ca 0.10 -1.93 -0.23 0.00 -0.04 0.00 0.00 63.50 61.40 2jxb n PRO 10 Cb 0.41 -3.07 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 9.07 -5.35 -4.75 3.54 0.23 -1.26 -4.83 115.26 111.91 2jxb n ASN 11 Ca 0.48 0.03 -0.41 0.00 -0.53 0.00 0.00 54.58 54.16 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 -1.76 4.41 -0.37 -0.53 0.04 -1.26 -4.95 135.00 130.58 2jxb s PRO 12 Ca 0.23 2.06 0.13 0.00 0.04 0.00 0.00 61.00 63.46 2jxb s PRO 12 Cb -0.02 -3.17 0.38 0.00 0.04 0.00 0.00 34.50 31.73 2jxb s PRO 12 CO 0.52 -0.18 0.80 -3.47 0.04 0.00 0.00 177.00 174.71 2jxb n ASP 13 N 2.03 1.18 -0.01 6.66 4.64 -1.26 -4.85 116.55 124.94 2jxb n ASP 13 Ca 0.04 -2.97 0.06 0.00 -1.38 0.00 0.00 54.79 50.54 2jxb n ASP 13 Cb 0.43 -0.59 -0.10 0.00 -1.04 0.00 0.00 41.12 39.82 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 0.17 0.00 -1.69 -0.67 0.18 -1.26 -5.00 117.16 108.89 2jxb n TYR 14 Ca 0.22 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.55 2jxb n TYR 14 Cb 0.69 -0.27 -0.03 0.00 -0.38 0.00 0.00 39.34 39.35 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 -1.89 3.37 -4.19 9.48 5.03 -1.26 -4.99 115.26 120.81 2jxb n ASN 15 Ca -0.02 1.10 -0.11 0.00 0.87 0.00 0.00 54.58 56.42 2jxb n ASN 15 Cb 0.32 -1.49 -0.10 0.00 -1.02 0.00 0.00 39.78 37.50 2jxb n ASN 15 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2jxb s SER 16 N 0.79 0.55 1.36 6.41 0.15 -1.26 -5.16 113.70 116.54 2jxb s SER 16 Ca 0.74 -1.25 -0.20 0.00 0.70 0.00 0.00 55.95 55.94 2jxb s SER 16 Cb -0.60 0.26 0.31 0.00 -1.71 0.00 0.00 66.02 64.28 2jxb s SER 16 CO 0.40 -0.71 0.71 -0.11 1.20 0.00 0.00 173.24 174.73 2jxb n LEU 17 N -0.19 0.00 -0.01 3.45 7.94 -1.26 -4.92 117.00 122.02 2jxb n LEU 17 Ca -0.04 -0.72 -0.10 0.00 -1.11 0.00 0.00 56.01 54.04 2jxb n LEU 17 Cb 0.64 -0.85 0.04 0.00 0.53 0.00 0.00 43.42 43.78 2jxb n LEU 17 CO 0.32 -2.64 0.48 0.11 -1.11 0.00 0.00 177.39 174.55 2jxb h LYS 18 N 0.00 0.61 -6.08 1.96 1.57 -2.05 -3.43 116.57 109.14 2jxb h LYS 18 Ca -0.32 -0.38 -0.58 0.00 -1.87 0.00 0.00 60.65 57.50 2jxb h LYS 18 Cb 1.09 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 2jxb h LYS 18 CO 0.19 0.99 -0.09 0.15 -0.57 0.00 0.00 179.45 180.12 2jxb s LYS 19 N -4.03 4.16 0.00 3.15 -0.14 -1.26 -4.96 119.74 116.67 2jxb s LYS 19 Ca -0.08 0.61 0.00 0.00 -1.36 0.00 0.00 55.97 55.14 2jxb s LYS 19 Cb 0.11 -3.28 0.00 0.00 -1.68 0.00 0.00 37.83 32.98 2jxb s LYS 19 CO 0.85 0.55 0.00 0.41 -0.76 0.00 0.00 175.35 176.39 2jxb n GLY 20 N 2.07 0.21 3.00 -3.33 0.00 -1.26 -5.09 105.19 100.78 2jxb n GLY 20 Ca -0.10 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 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 -7.39 -4.43 1.61 7.64 -1.26 -5.00 113.62 104.79 2jxb n SER 21 Ca 0.00 0.42 -0.33 0.00 1.01 0.00 0.00 58.87 59.97 2jxb n SER 21 Cb 0.00 -4.48 -0.13 0.00 -1.01 0.00 0.00 64.21 58.58 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 -2.50 2.95 -1.29 -3.43 1.02 -1.26 -5.04 118.68 109.12 2jxb s LEU 22 Ca 0.27 -0.23 -0.17 0.00 0.02 0.00 0.00 54.13 54.01 2jxb s LEU 22 Cb -0.06 -1.68 0.08 0.00 0.02 0.00 0.00 46.19 44.55 2jxb s LEU 22 CO 0.78 0.18 1.72 0.52 0.02 0.00 0.00 176.35 179.57 2jxb n VAL 23 N 3.42 3.98 -4.14 -1.59 0.31 -1.26 -4.91 118.33 114.14 2jxb n VAL 23 Ca -0.18 -4.16 -0.06 0.00 -0.01 0.00 0.00 64.34 59.93 2jxb n VAL 23 Cb 0.53 -2.37 -0.02 0.00 -0.91 0.00 0.00 33.84 31.07 2jxb n VAL 23 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2jxb n LYS 24 N 8.06 1.30 -3.09 5.55 4.81 -1.26 -4.96 118.16 128.58 2jxb n LYS 24 Ca 0.48 -0.80 -0.07 0.00 -0.87 0.00 0.00 58.31 57.05 2jxb n LYS 24 Cb 0.46 0.32 0.01 0.00 0.02 0.00 0.00 35.03 35.83 2jxb n LYS 24 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jxb n ASN 25 N -1.49 -7.47 -3.11 3.14 4.13 -1.26 -5.02 115.26 104.17 2jxb n ASN 25 Ca -0.03 0.03 -0.12 0.00 1.68 0.00 0.00 54.58 56.13 2jxb n ASN 25 Cb 0.14 -4.83 0.07 0.00 -1.54 0.00 0.00 39.78 33.63 2jxb n ASN 25 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2jxb n LEU 26 N -1.32 0.00 0.00 3.41 7.94 -1.26 -4.98 117.00 120.79 2jxb n LEU 26 Ca 0.00 -0.90 0.18 0.00 -1.11 0.00 0.00 56.01 54.19 2jxb n LEU 26 Cb 0.52 -0.39 -0.05 0.00 0.53 0.00 0.00 43.42 44.03 2jxb n LEU 26 CO 0.53 -0.83 -0.25 1.41 -1.11 0.00 0.00 177.39 177.14 2jxb n HIS 27 N -2.42 -3.55 -2.60 1.96 8.25 -1.26 -5.01 115.22 110.59 2jxb n HIS 27 Ca 0.08 1.69 -0.04 0.00 -0.26 0.00 0.00 57.72 59.20 2jxb n HIS 27 Cb 0.28 -3.12 -0.03 0.00 1.12 0.00 0.00 29.99 28.25 2jxb n HIS 27 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2jxb n MET 28 N -4.10 -4.08 -4.18 -0.41 2.81 -1.26 -5.07 117.12 100.83 2jxb n MET 28 Ca 0.01 3.14 -0.11 0.00 -1.81 0.00 0.00 57.70 58.93 2jxb n MET 28 Cb 0.62 -5.07 -0.10 0.00 -0.71 0.00 0.00 33.22 27.95 2jxb n MET 28 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2jxb s THR 29 N -1.00 0.37 0.00 2.03 -1.32 -1.26 -5.17 115.64 109.28 2jxb s THR 29 Ca -0.18 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 58.37 2jxb s THR 29 Cb 0.01 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.00 2jxb s THR 29 CO 0.77 -0.54 0.00 -0.62 -2.21 0.00 0.00 174.62 172.02 2jxb n GLU 30 N -0.13 0.00 -3.28 7.08 1.02 -1.26 -5.12 120.64 118.95 2jxb n GLU 30 Ca -0.07 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.82 2jxb n GLU 30 Cb 0.63 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.97 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 0.41 -4.19 3.49 -0.58 -1.26 -5.09 120.64 113.43 2jxb n GLU 31 Ca 0.00 -3.14 -0.26 0.00 -0.42 0.00 0.00 57.16 53.34 2jxb n GLU 31 Cb 0.00 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 2jxb n GLU 31 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jxb s VAL 32 N -0.41 3.85 -0.01 2.62 1.01 -1.26 -5.03 120.40 121.17 2jxb s VAL 32 Ca 0.34 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2jxb s VAL 32 Cb 0.09 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.53 2jxb s VAL 32 CO -0.16 -0.13 0.01 -0.63 0.00 0.00 0.00 175.10 174.18 2jxb s ILE 33 N -1.78 0.03 0.45 2.22 1.01 -1.26 -0.19 121.20 121.69 2jxb s ILE 33 Ca 0.28 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.07 2jxb s ILE 33 Cb -0.09 -0.08 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 2jxb s ILE 33 CO 0.20 0.05 0.36 0.54 0.00 0.00 0.00 174.94 176.09 2jxb s VAL 34 N 0.43 2.34 -0.03 2.92 0.11 -0.84 -4.02 120.40 121.32 2jxb s VAL 34 Ca -0.04 -1.43 0.02 0.00 -2.93 0.00 0.00 61.98 57.60 2jxb s VAL 34 Cb -0.06 -2.77 0.01 0.00 -1.53 0.00 0.00 36.38 32.03 2jxb s VAL 34 CO -0.01 0.00 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.04 2jxb s ILE 35 N -2.57 0.77 -0.60 7.04 -1.09 -1.05 -2.47 121.20 121.22 2jxb s ILE 35 Ca 0.44 -0.32 -0.28 0.00 -2.23 0.00 0.00 60.65 58.26 2jxb s ILE 35 Cb -0.02 -0.71 0.03 0.00 -1.58 0.00 0.00 42.46 40.19 2jxb s ILE 35 CO 0.26 0.25 1.18 0.00 -1.23 0.00 0.00 174.94 175.40 2jxb s ALA 36 N 0.39 2.97 0.45 9.38 0.00 1.00 -0.01 121.76 135.94 2jxb s ALA 36 Ca -0.06 -0.95 0.17 0.00 0.00 0.00 0.00 51.96 51.12 2jxb s ALA 36 Cb -0.11 -4.05 1.13 0.00 0.00 0.00 0.00 23.12 20.09 2jxb s ALA 36 CO 0.01 -2.74 1.95 0.87 0.00 0.00 0.00 175.76 175.85 2jxb h LYS 37 N 9.60 0.31 0.00 0.00 1.57 -1.40 -2.91 116.57 123.74 2jxb h LYS 37 Ca -0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2jxb h LYS 37 Cb 1.06 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2jxb h LYS 37 CO 1.19 0.20 0.00 0.91 -0.57 0.00 0.00 179.45 181.19 2jxb n TRP 38 N -4.45 -0.28 -4.28 -1.35 7.02 -1.20 -4.68 117.44 108.21 2jxb n TRP 38 Ca 0.12 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.26 2jxb n TRP 38 Cb 0.51 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.28 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 -0.68 4.88 0.27 -0.99 1.47 -1.26 -3.43 116.67 116.92 2jxb s ASP 39 Ca 0.00 -0.13 0.07 0.00 1.18 0.00 0.00 52.55 53.67 2jxb s ASP 39 Cb 0.00 -1.81 -0.06 0.00 -0.34 0.00 0.00 42.92 40.71 2jxb s ASP 39 CO 0.00 0.14 -0.07 -0.47 0.68 0.00 0.00 175.17 175.45 2jxb s TYR 40 N 0.53 1.94 -0.09 2.11 5.04 0.84 -4.93 117.35 122.79 2jxb s TYR 40 Ca -0.02 -0.68 0.02 0.00 -2.44 0.00 0.00 57.07 53.95 2jxb s TYR 40 Cb -0.14 -1.08 -0.02 0.00 0.35 0.00 0.00 41.96 41.07 2jxb s TYR 40 CO 0.02 0.30 -0.16 0.99 -1.34 0.00 0.00 175.55 175.37 2jxb s THR 41 N -2.99 2.86 -0.57 4.34 2.01 -1.26 -2.94 115.64 117.10 2jxb s THR 41 Ca 0.29 -0.76 -0.27 0.00 0.31 0.00 0.00 61.69 61.26 2jxb s THR 41 Cb 0.03 -2.15 -0.10 0.00 0.01 0.00 0.00 72.50 70.29 2jxb s THR 41 CO 0.12 0.55 2.45 0.00 -0.69 0.00 0.00 174.62 177.05 2jxb n ALA 42 N 3.06 0.75 0.16 7.40 0.00 -1.26 -4.78 120.51 125.83 2jxb n ALA 42 Ca -0.18 -0.76 0.05 0.00 0.00 0.00 0.00 53.44 52.55 2jxb n ALA 42 Cb 0.52 -3.00 0.48 0.00 0.00 0.00 0.00 19.45 17.45 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 17.76 0.18 0.00 0.00 -0.00 -1.90 -3.45 115.11 127.70 2jxb h GLN 43 Ca -0.21 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.40 2jxb h GLN 43 Cb 1.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 28.73 2jxb h GLN 43 CO 1.19 0.24 -0.00 1.04 -0.00 0.00 0.00 178.83 181.29 2jxb n GLN 44 N -4.38 0.29 0.10 0.06 6.02 -1.26 -5.05 117.38 113.16 2jxb n GLN 44 Ca -0.01 -0.03 0.03 0.00 -0.01 0.00 0.00 57.00 56.97 2jxb n GLN 44 Cb 0.19 0.02 -0.01 0.00 1.02 0.00 0.00 30.24 31.46 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jxb h ASP 45 N 0.02 0.00 0.77 1.08 5.19 -2.03 -3.31 116.42 118.14 2jxb h ASP 45 Ca -0.00 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.19 2jxb h ASP 45 Cb 0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 2jxb h ASP 45 CO 0.00 0.46 -1.01 1.56 -3.12 0.00 0.00 179.24 177.14 2jxb h GLN 46 N 0.00 0.12 -7.51 3.56 7.50 -1.98 -3.46 115.11 113.35 2jxb h GLN 46 Ca -0.06 -0.18 -0.48 0.00 0.50 0.00 0.00 58.65 58.44 2jxb h GLN 46 Cb 1.41 0.06 0.10 0.00 0.05 0.00 0.00 27.48 29.10 2jxb h GLN 46 CO 0.05 1.02 0.37 -1.21 -1.50 0.00 0.00 178.83 177.57 2jxb s GLU 47 N -2.88 2.09 0.19 1.46 0.41 -1.25 -2.61 118.70 116.12 2jxb s GLU 47 Ca -0.01 0.37 0.11 0.00 -0.41 0.00 0.00 54.97 55.02 2jxb s GLU 47 Cb 0.09 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 2jxb s GLU 47 CO 0.84 -1.56 -0.22 -1.17 -0.49 0.00 0.00 175.26 172.66 2jxb s LEU 48 N -5.65 2.45 -0.18 1.80 0.20 0.81 -4.46 118.68 113.65 2jxb s LEU 48 Ca 0.61 -0.88 -0.16 0.00 0.69 0.00 0.00 54.13 54.39 2jxb s LEU 48 Cb -0.12 -1.07 -0.04 0.00 -0.43 0.00 0.00 46.19 44.52 2jxb s LEU 48 CO 0.52 0.07 0.41 -0.62 -0.29 0.00 0.00 176.35 176.44 2jxb s ASP 49 N -2.74 6.51 0.09 3.68 -1.08 -1.26 -4.26 116.67 117.60 2jxb s ASP 49 Ca 0.20 0.60 0.08 0.00 -0.52 0.00 0.00 52.55 52.91 2jxb s ASP 49 Cb -0.07 -2.24 -0.04 0.00 -1.46 0.00 0.00 42.92 39.11 2jxb s ASP 49 CO 0.09 -0.04 -0.19 0.27 0.52 0.00 0.00 175.17 175.83 2jxb s ILE 50 N 1.04 2.77 0.21 4.11 -4.36 -1.15 -4.98 121.20 118.84 2jxb s ILE 50 Ca 0.21 -1.40 0.12 0.00 -0.26 0.00 0.00 60.65 59.31 2jxb s ILE 50 Cb -0.15 -2.23 -0.05 0.00 1.25 0.00 0.00 42.46 41.29 2jxb s ILE 50 CO 0.08 0.19 -0.23 -0.54 0.24 0.00 0.00 174.94 174.68 2jxb s LYS 51 N -1.86 1.55 0.18 0.37 1.02 -1.26 -0.11 119.74 119.63 2jxb s LYS 51 Ca 0.16 -1.57 -0.33 0.00 0.02 0.00 0.00 55.97 54.25 2jxb s LYS 51 Cb -0.10 -1.83 -0.14 0.00 -0.52 0.00 0.00 37.83 35.23 2jxb s LYS 51 CO 0.08 0.39 1.45 0.36 -0.92 0.00 0.00 175.35 176.71 2jxb n LYS 52 N 0.11 1.88 -3.20 1.68 2.85 -1.22 -2.06 118.16 118.21 2jxb n LYS 52 Ca -0.11 0.68 -0.15 0.00 -1.05 0.00 0.00 58.31 57.67 2jxb n LYS 52 Cb 0.57 -2.37 0.07 0.00 -0.65 0.00 0.00 35.03 32.65 2jxb n LYS 52 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2jxb n ASN 53 N 2.77 -2.87 -4.24 -5.58 2.85 -1.10 -4.98 115.26 102.11 2jxb n ASN 53 Ca 0.15 -0.48 -0.32 0.00 -0.11 0.00 0.00 54.58 53.83 2jxb n ASN 53 Cb 0.28 -4.17 -0.17 0.00 1.24 0.00 0.00 39.78 36.96 2jxb n ASN 53 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2jxb s GLU 54 N -5.32 2.90 0.12 1.20 2.56 -0.87 -4.95 118.70 114.34 2jxb s GLU 54 Ca 0.11 -0.88 0.06 0.00 0.00 0.00 0.00 54.97 54.27 2jxb s GLU 54 Cb -0.05 -2.27 -0.04 0.00 2.00 0.00 0.00 34.13 33.77 2jxb s GLU 54 CO 0.58 0.25 -0.04 -0.98 -0.56 0.00 0.00 175.26 174.51 2jxb s ARG 55 N 0.18 2.34 0.30 4.30 1.04 -1.26 -0.00 118.95 125.85 2jxb s ARG 55 Ca -0.14 -0.99 -0.04 0.00 -1.04 0.00 0.00 55.73 53.53 2jxb s ARG 55 Cb -0.17 -2.40 -0.01 0.00 -2.04 0.00 0.00 34.95 30.34 2jxb s ARG 55 CO 0.07 0.50 0.41 -0.51 -0.04 0.00 0.00 175.30 175.74 2jxb s LEU 56 N -2.45 0.93 -0.36 -1.89 1.02 -1.03 -4.91 118.68 109.99 2jxb s LEU 56 Ca 0.25 -1.37 -0.21 0.00 0.02 0.00 0.00 54.13 52.82 2jxb s LEU 56 Cb -0.11 1.31 0.01 0.00 0.02 0.00 0.00 46.19 47.42 2jxb s LEU 56 CO 0.17 -1.18 0.66 0.26 0.02 0.00 0.00 176.35 176.27 2jxb s TRP 57 N -3.45 3.14 0.03 0.29 0.51 0.82 -1.98 118.94 118.29 2jxb s TRP 57 Ca 0.31 0.34 -0.30 0.00 -2.12 0.00 0.00 56.10 54.32 2jxb s TRP 57 Cb 0.01 -3.19 -0.07 0.00 -0.81 0.00 0.00 33.47 29.40 2jxb s TRP 57 CO 0.17 -0.66 1.60 -0.51 -0.51 0.00 0.00 176.95 177.04 2jxb s LEU 58 N 2.77 4.35 0.00 2.99 1.43 0.74 -0.42 118.68 130.54 2jxb s LEU 58 Ca 0.25 2.37 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 -0.86 0.00 0.18 0.23 0.00 0.00 176.35 176.05 2jxb n LEU 59 N 5.82 0.00 -3.71 1.79 4.77 0.13 -4.41 117.00 121.39 2jxb n LEU 59 Ca 0.16 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.87 2jxb n LEU 59 Cb 0.41 -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 -1.81 -1.33 0.00 0.00 177.39 174.11 2jxb s ASP 60 N -3.42 2.48 -0.69 -1.43 1.11 -1.10 -5.00 116.67 108.61 2jxb s ASP 60 Ca 0.00 -0.61 0.05 0.00 0.18 0.00 0.00 52.55 52.17 2jxb s ASP 60 Cb 0.00 -0.47 0.17 0.00 1.07 0.00 0.00 42.92 43.69 2jxb s ASP 60 CO 0.00 -0.29 0.50 -0.90 1.18 0.00 0.00 175.17 175.66 2jxb n ASP 61 N 5.13 2.92 -0.07 0.27 5.68 -1.26 -2.08 116.55 127.15 2jxb n ASP 61 Ca -0.08 -3.19 -0.14 0.00 -0.50 0.00 0.00 54.79 50.88 2jxb n ASP 61 Cb 0.48 -0.75 -0.05 0.00 -1.14 0.00 0.00 41.12 39.67 2jxb n ASP 61 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2jxb n SER 62 N 1.94 0.98 -4.52 -1.12 7.64 -1.26 -5.04 113.62 112.24 2jxb n SER 62 Ca 0.21 0.15 -0.26 0.00 1.01 0.00 0.00 58.87 59.98 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 1.38 0.34 1.43 1.02 -1.26 -4.95 119.74 115.46 2jxb s LYS 63 Ca -0.18 -0.83 0.13 0.00 0.02 0.00 0.00 55.97 55.11 2jxb s LYS 63 Cb 0.07 -2.17 1.01 0.00 -0.52 0.00 0.00 37.83 36.22 2jxb s LYS 63 CO 0.23 -1.74 1.70 0.00 -0.92 0.00 0.00 175.35 174.63 2jxb h THR 64 N -0.89 0.43 -3.02 2.17 1.03 -1.93 -3.38 112.91 107.32 2jxb h THR 64 Ca -0.39 -0.15 -0.61 0.00 -0.01 0.00 0.00 66.41 65.24 2jxb h THR 64 Cb 1.26 -0.05 -0.06 0.00 -1.07 0.00 0.00 68.15 68.22 2jxb h THR 64 CO 0.41 0.08 -0.25 0.26 -0.01 0.00 0.00 175.52 176.01 2jxb s TRP 65 N -5.68 3.66 0.14 0.00 0.52 -1.26 -2.42 118.94 113.89 2jxb s TRP 65 Ca -0.10 0.87 0.07 0.00 0.02 0.00 0.00 56.10 56.96 2jxb s TRP 65 Cb 0.28 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2jxb s TRP 65 CO 0.80 0.57 -0.06 -1.58 0.02 0.00 0.00 176.95 176.69 2jxb s TRP 66 N -0.73 2.77 -0.16 -1.98 0.51 -0.33 -4.51 118.94 114.51 2jxb s TRP 66 Ca 0.22 -0.15 -0.01 0.00 -2.12 0.00 0.00 56.10 54.03 2jxb s TRP 66 Cb -0.15 -1.40 -0.01 0.00 -0.81 0.00 0.00 33.47 31.10 2jxb s TRP 66 CO 0.11 0.47 -0.11 0.50 -0.51 0.00 0.00 176.95 177.41 2jxb s ARG 67 N -2.55 3.36 0.28 4.98 3.52 -0.88 -1.70 118.95 125.97 2jxb s ARG 67 Ca 0.24 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.19 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 0.16 0.06 0.10 0.14 -0.81 0.00 0.00 175.30 174.95 2jxb s VAL 68 N 0.75 0.64 0.14 7.11 -7.23 -1.20 0.20 120.40 120.81 2jxb s VAL 68 Ca -0.05 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.21 2jxb s VAL 68 Cb -0.15 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2jxb s VAL 68 CO 0.01 0.00 -0.20 -0.60 -0.31 0.00 0.00 175.10 174.01 2jxb s ARG 69 N -3.96 1.22 0.44 4.82 3.52 0.44 -2.38 118.95 123.04 2jxb s ARG 69 Ca 0.37 -1.31 0.04 0.00 -0.13 0.00 0.00 55.73 54.70 2jxb s ARG 69 Cb 0.07 -1.39 0.04 0.00 -1.56 0.00 0.00 34.95 32.11 2jxb s ARG 69 CO 0.15 0.30 0.32 0.27 -0.81 0.00 0.00 175.30 175.53 2jxb n ASN 70 N 0.64 2.42 0.00 -2.12 2.04 -0.81 -0.13 115.26 117.30 2jxb n ASN 70 Ca -0.16 -2.52 0.06 0.00 -0.44 0.00 0.00 54.58 51.53 2jxb n ASN 70 Cb 0.55 -0.03 0.29 0.00 -2.53 0.00 0.00 39.78 38.07 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jxb n ALA 71 N -2.08 1.64 1.78 -2.53 0.00 -1.26 -2.09 120.51 115.98 2jxb n ALA 71 Ca -0.14 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2jxb n ALA 71 Cb 0.50 -1.21 0.38 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.44 2.56 -1.21 0.00 0.00 -1.26 -4.86 120.51 114.30 2jxb n ALA 72 Ca 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 2jxb n ALA 72 Cb 0.14 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.44 -5.02 -4.57 0.00 3.02 -0.89 -4.97 115.26 102.40 2jxb n ASN 73 Ca 0.11 0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.54 2jxb n ASN 73 Cb 0.12 -3.16 -0.10 0.00 -0.61 0.00 0.00 39.78 36.02 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 -2.33 2.20 0.55 3.52 3.52 -1.26 -4.96 118.95 120.18 2jxb s ARG 74 Ca 0.00 -0.97 0.05 0.00 -0.13 0.00 0.00 55.73 54.68 2jxb s ARG 74 Cb 0.00 -2.33 0.04 0.00 -1.56 0.00 0.00 34.95 31.10 2jxb s ARG 74 CO 0.00 0.53 0.38 0.95 -0.81 0.00 0.00 175.30 176.35 2jxb s THR 75 N -1.14 1.59 -0.00 4.11 -4.23 -1.26 -1.92 115.64 112.78 2jxb s THR 75 Ca 0.20 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2jxb s THR 75 Cb -0.11 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2jxb s THR 75 CO 0.12 0.00 0.04 0.61 -0.54 0.00 0.00 174.62 174.84 2jxb n GLY 76 N -1.74 0.43 3.41 3.99 0.00 -1.00 -4.89 105.19 105.39 2jxb n GLY 76 Ca -0.03 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.23 2.35 -0.11 1.61 2.02 -1.07 -3.20 117.35 116.71 2jxb s TYR 77 Ca 0.01 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.11 2jxb s TYR 77 Cb -0.00 -1.26 0.06 0.00 -0.40 0.00 0.00 41.96 40.36 2jxb s TYR 77 CO -0.00 0.36 0.59 0.14 -1.57 0.00 0.00 175.55 175.07 2jxb s VAL 78 N -1.11 0.01 0.04 0.71 -7.23 -0.69 -0.14 120.40 112.00 2jxb s VAL 78 Ca 0.15 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 2jxb s VAL 78 Cb -0.10 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.90 2jxb s VAL 78 CO 0.07 -0.05 1.42 -2.16 -0.31 0.00 0.00 175.10 174.07 2jxb s PRO 79 N -0.63 4.29 0.35 4.82 0.04 -1.26 -1.18 135.00 141.42 2jxb s PRO 79 Ca -0.07 2.02 0.25 0.00 0.04 0.00 0.00 61.00 63.24 2jxb s PRO 79 Cb -0.03 -3.49 1.28 0.00 0.04 0.00 0.00 34.50 32.30 2jxb s PRO 79 CO 0.05 -0.55 1.76 0.66 0.04 0.00 0.00 177.00 178.96 2jxb h SER 80 N 7.61 0.00 0.25 6.66 4.64 -1.80 -1.46 113.55 129.45 2jxb h SER 80 Ca -0.39 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.75 2jxb h SER 80 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2jxb h SER 80 CO 0.89 0.00 -0.67 0.78 -0.87 0.00 0.00 176.83 176.96 2jxb h ASN 81 N 0.00 0.45 -0.19 4.97 4.21 -1.90 -2.97 115.58 120.15 2jxb h ASN 81 Ca 0.00 -0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2jxb h ASN 81 Cb 0.09 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 2jxb h ASN 81 CO 0.00 0.99 0.00 -1.22 -1.29 0.00 0.00 177.43 175.91 2jxb n TYR 82 N -3.86 0.24 -4.35 1.19 4.01 -0.57 -4.91 117.16 108.91 2jxb n TYR 82 Ca -0.04 -0.12 -0.18 0.00 -0.16 0.00 0.00 57.90 57.40 2jxb n TYR 82 Cb 0.67 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.60 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 -1.76 1.62 -0.30 -0.72 0.11 -1.12 -1.06 120.40 117.17 2jxb s VAL 83 Ca 0.34 -2.17 -0.02 0.00 -2.93 0.00 0.00 61.98 57.20 2jxb s VAL 83 Cb 0.19 -2.12 0.19 0.00 -1.53 0.00 0.00 36.38 33.11 2jxb s VAL 83 CO 0.29 -0.54 0.61 -0.70 -3.33 0.00 0.00 175.10 171.43 2jxb s GLU 84 N -3.68 0.56 0.73 1.54 2.12 0.98 -4.78 118.70 116.16 2jxb s GLU 84 Ca 0.24 1.02 -0.12 0.00 0.36 0.00 0.00 54.97 56.47 2jxb s GLU 84 Cb 0.01 0.57 0.03 0.00 0.26 0.00 0.00 34.13 35.00 2jxb s GLU 84 CO 0.07 -0.58 1.08 -0.98 -0.54 0.00 0.00 175.26 174.32 2jxb s ARG 85 N 2.86 2.56 0.00 4.30 1.04 -1.26 -2.54 118.95 125.91 2jxb s ARG 85 Ca 0.19 1.16 0.11 0.00 -1.04 0.00 0.00 55.73 56.14 2jxb s ARG 85 Cb -0.15 -1.93 0.08 0.00 -2.04 0.00 0.00 34.95 30.91 2jxb s ARG 85 CO -0.21 -1.41 0.83 1.17 -0.04 0.00 0.00 175.30 175.65