#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 1.05 0.67 -0.41 -2.45 -1.26 -5.16 119.30 111.75 2jxb s MET 2 Ca 0.00 -1.06 -0.15 0.00 -1.25 0.00 0.00 55.69 53.24 2jxb s MET 2 Cb 0.00 0.38 0.01 0.00 1.25 0.00 0.00 34.83 36.46 2jxb s MET 2 CO 0.00 -0.37 1.12 -1.59 1.05 0.00 0.00 175.02 175.23 2jxb s LYS 3 N -3.92 2.69 -0.52 4.11 -2.85 -1.26 -5.02 119.74 112.99 2jxb s LYS 3 Ca 0.12 1.42 0.06 0.00 -1.00 0.00 0.00 55.97 56.57 2jxb s LYS 3 Cb 0.04 -1.93 0.22 0.00 -2.06 0.00 0.00 37.83 34.09 2jxb s LYS 3 CO -0.05 -1.34 0.54 0.39 0.10 0.00 0.00 175.35 174.99 2jxb n GLU 4 N -2.50 1.26 -4.43 1.78 1.02 -1.26 -5.10 120.64 111.41 2jxb n GLU 4 Ca 0.11 -3.81 -0.22 0.00 -0.02 0.00 0.00 57.16 53.21 2jxb n GLU 4 Cb 0.52 -1.78 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.29 1.57 0.96 3.49 0.52 -1.26 -5.15 118.95 117.79 2jxb s ARG 5 Ca 0.34 -1.72 -0.12 0.00 -0.52 0.00 0.00 55.73 53.71 2jxb s ARG 5 Cb 0.10 -1.53 0.16 0.00 0.52 0.00 0.00 34.95 34.20 2jxb s ARG 5 CO -0.12 0.26 1.09 -1.25 0.02 0.00 0.00 175.30 175.31 2jxb s PRO 6 N -3.57 0.76 0.98 3.54 0.04 -1.26 -5.04 135.00 130.46 2jxb s PRO 6 Ca 0.28 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.83 2jxb s PRO 6 Cb -0.03 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.92 2jxb s PRO 6 CO 0.12 -2.53 1.09 -1.25 0.04 0.00 0.00 177.00 174.47 2jxb s PRO 7 N -4.95 0.56 1.24 0.56 0.04 -1.26 -5.05 135.00 126.14 2jxb s PRO 7 Ca 0.65 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 2jxb s PRO 7 Cb -0.18 -1.75 0.30 0.00 0.04 0.00 0.00 34.50 32.91 2jxb s PRO 7 CO 0.57 -2.66 1.11 -1.25 0.04 0.00 0.00 177.00 174.82 2jxb s PRO 8 N -4.95 -1.53 0.43 0.56 0.04 -1.26 -4.96 135.00 123.33 2jxb s PRO 8 Ca 0.65 -0.18 -0.25 0.00 0.04 0.00 0.00 61.00 61.26 2jxb s PRO 8 Cb -0.19 -1.57 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 2jxb s PRO 8 CO 0.58 -3.89 1.29 1.33 0.04 0.00 0.00 177.00 176.34 2jxb n VAL 9 N -4.87 2.65 -1.39 -0.36 0.24 -1.26 -4.82 118.33 108.52 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 0.60 -1.59 -0.06 0.00 -1.47 0.00 0.00 33.84 31.31 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 -0.04 1.47 -3.16 7.34 -0.04 -1.26 -4.53 135.00 134.78 2jxb n PRO 10 Ca 0.07 -1.99 -0.24 0.00 -0.04 0.00 0.00 63.50 61.29 2jxb n PRO 10 Cb 0.40 -3.14 0.02 0.00 -0.04 0.00 0.00 33.50 30.75 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 9.58 -5.27 -4.75 3.54 6.94 -1.26 -4.84 115.26 119.21 2jxb n ASN 11 Ca 0.48 0.02 -0.41 0.00 -0.02 0.00 0.00 54.58 54.65 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 -1.78 4.43 -0.43 -0.53 0.04 -1.26 -4.95 135.00 130.51 2jxb s PRO 12 Ca 0.24 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.42 2jxb s PRO 12 Cb -0.02 -3.16 0.37 0.00 0.04 0.00 0.00 34.50 31.73 2jxb s PRO 12 CO 0.53 -0.13 0.86 -0.25 0.04 0.00 0.00 177.00 178.05 2jxb n ASP 13 N 1.78 2.37 -0.00 6.66 9.92 -1.26 -4.80 116.55 131.22 2jxb n ASP 13 Ca 0.03 -3.24 0.05 0.00 -0.53 0.00 0.00 54.79 51.10 2jxb n ASP 13 Cb 0.43 -0.58 -0.06 0.00 -0.64 0.00 0.00 41.12 40.27 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jxb n TYR 14 N 0.01 0.00 -4.37 1.24 0.18 -1.26 -4.98 117.16 107.98 2jxb n TYR 14 Ca 0.26 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.70 2jxb n TYR 14 Cb 0.60 -0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.46 2jxb n TYR 14 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2jxb s ASN 15 N -2.05 5.14 -0.14 9.48 0.02 -1.26 -4.98 114.94 121.15 2jxb s ASN 15 Ca 0.04 0.08 0.05 0.00 -1.02 0.00 0.00 52.86 52.01 2jxb s ASN 15 Cb 0.08 -1.40 0.16 0.00 0.02 0.00 0.00 41.25 40.12 2jxb s ASN 15 CO 0.45 0.34 1.08 -1.54 0.02 0.00 0.00 177.10 177.45 2jxb n SER 16 N 1.89 -1.00 -2.80 -1.22 3.41 -1.26 -5.07 113.62 107.56 2jxb n SER 16 Ca -0.17 -1.80 -0.00 0.00 -0.26 0.00 0.00 58.87 56.63 2jxb n SER 16 Cb 0.53 0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 64.88 2jxb n SER 16 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jxb n LEU 17 N -0.62 -7.21 -3.67 1.04 7.99 -1.26 -5.06 117.00 108.21 2jxb n LEU 17 Ca -0.19 1.28 -0.10 0.00 -0.01 0.00 0.00 56.01 56.99 2jxb n LEU 17 Cb 0.71 -3.04 -0.09 0.00 -0.11 0.00 0.00 43.42 40.89 2jxb n LEU 17 CO -0.12 -2.94 0.22 -0.75 -1.51 0.00 0.00 177.39 172.29 2jxb s LYS 18 N -1.50 0.59 0.34 3.23 2.20 -1.26 -5.16 119.74 118.18 2jxb s LYS 18 Ca -0.01 0.95 -0.26 0.00 -0.36 0.00 0.00 55.97 56.29 2jxb s LYS 18 Cb 0.00 0.14 -0.10 0.00 -1.51 0.00 0.00 37.83 36.37 2jxb s LYS 18 CO 0.65 -0.13 0.98 0.15 -0.36 0.00 0.00 175.35 176.63 2jxb s LYS 19 N 1.14 4.50 0.00 4.03 1.02 -1.26 -4.91 119.74 124.27 2jxb s LYS 19 Ca -0.07 1.40 0.00 0.00 0.02 0.00 0.00 55.97 57.32 2jxb s LYS 19 Cb -0.06 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2jxb s LYS 19 CO -0.11 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 2jxb n GLY 20 N 0.56 1.54 2.15 -3.33 0.00 -1.26 -5.08 105.19 99.78 2jxb n GLY 20 Ca 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2jxb n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxb n SER 21 N -0.12 -2.76 -4.57 1.61 3.41 -1.26 -5.08 113.62 104.85 2jxb n SER 21 Ca 0.00 0.63 -0.44 0.00 -0.26 0.00 0.00 58.87 58.80 2jxb n SER 21 Cb 0.00 2.70 -0.04 0.00 -0.26 0.00 0.00 64.21 66.61 2jxb n SER 21 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jxb n LEU 22 N -3.20 2.95 0.04 1.04 4.77 -1.26 -4.82 117.00 116.52 2jxb n LEU 22 Ca 0.00 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 2jxb n LEU 22 Cb 0.00 -1.50 -0.13 0.00 -2.33 0.00 0.00 43.42 39.46 2jxb n LEU 22 CO 0.00 -0.77 -0.24 -0.37 -1.33 0.00 0.00 177.39 174.68 2jxb h VAL 23 N 7.20 1.24 -3.11 4.08 -1.51 -2.03 -3.50 116.25 118.61 2jxb h VAL 23 Ca -0.37 -2.97 0.33 0.00 -1.23 0.00 0.00 66.70 62.46 2jxb h VAL 23 Cb 1.26 2.68 -0.15 0.00 -2.13 0.00 0.00 31.29 32.95 2jxb h VAL 23 CO 0.99 0.77 -0.94 1.17 -1.23 0.00 0.00 177.57 178.33 2jxb n LYS 24 N -3.30 -2.92 -1.26 5.19 4.81 -1.26 -5.00 118.16 114.42 2jxb n LYS 24 Ca -0.11 2.25 0.17 0.00 -0.87 0.00 0.00 58.31 59.75 2jxb n LYS 24 Cb 1.01 -3.46 -0.05 0.00 0.02 0.00 0.00 35.03 32.55 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 -4.15 -7.52 -1.52 3.14 5.03 -1.26 -5.02 115.26 103.96 2jxb n ASN 25 Ca -0.05 0.70 -0.01 0.00 0.87 0.00 0.00 54.58 56.09 2jxb n ASN 25 Cb 0.62 -3.94 -0.00 0.00 -1.02 0.00 0.00 39.78 35.44 2jxb n ASN 25 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jxb n LEU 26 N -3.95 0.00 0.06 3.41 -0.00 -1.26 -5.11 117.00 110.15 2jxb n LEU 26 Ca -0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 2jxb n LEU 26 Cb 0.58 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2jxb n LEU 26 CO 0.02 -0.02 0.00 1.41 -0.00 0.00 0.00 177.39 178.80 2jxb n HIS 27 N -0.03 -1.33 -1.25 1.47 8.25 -1.26 -5.17 115.22 115.90 2jxb n HIS 27 Ca -0.00 0.24 0.15 0.00 -0.26 0.00 0.00 57.72 57.85 2jxb n HIS 27 Cb 0.02 0.72 -0.08 0.00 1.12 0.00 0.00 29.99 31.78 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 -2.88 -2.86 0.00 -0.41 2.81 -1.26 -5.03 117.12 107.49 2jxb n MET 28 Ca 0.00 2.31 0.00 0.00 -1.81 0.00 0.00 57.70 58.20 2jxb n MET 28 Cb 0.00 -3.36 0.00 0.00 -0.71 0.00 0.00 33.22 29.15 2jxb n MET 28 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2jxb n THR 29 N -4.04 0.00 -3.78 2.03 5.66 -1.26 -5.16 114.28 107.73 2jxb n THR 29 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2jxb n THR 29 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 2jxb n THR 29 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2jxb n GLU 30 N 0.00 0.08 -3.42 1.09 4.07 -1.26 -5.12 120.64 116.08 2jxb n GLU 30 Ca 0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 2jxb n GLU 30 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 2jxb n GLU 30 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2jxb n GLU 31 N 0.00 0.76 -4.24 5.31 1.02 -1.26 -5.08 120.64 117.15 2jxb n GLU 31 Ca 0.00 -3.51 -0.26 0.00 -0.02 0.00 0.00 57.16 53.37 2jxb n GLU 31 Cb 0.00 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 2jxb n GLU 31 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jxb s VAL 32 N -0.69 3.57 -0.06 2.62 1.01 -1.26 -5.04 120.40 120.54 2jxb s VAL 32 Ca 0.33 -1.54 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 2jxb s VAL 32 Cb 0.07 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2jxb s VAL 32 CO -0.16 -0.15 0.16 -0.63 0.00 0.00 0.00 175.10 174.32 2jxb s ILE 33 N -1.81 -0.03 0.29 2.22 1.01 -1.26 -0.70 121.20 120.92 2jxb s ILE 33 Ca 0.27 0.10 0.09 0.00 0.00 0.00 0.00 60.65 61.11 2jxb s ILE 33 Cb -0.09 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 2jxb s ILE 33 CO 0.18 0.04 0.03 0.54 0.00 0.00 0.00 174.94 175.73 2jxb s VAL 34 N 0.70 3.30 -0.10 2.92 0.11 -0.96 -4.09 120.40 122.28 2jxb s VAL 34 Ca -0.05 -1.86 0.03 0.00 -2.93 0.00 0.00 61.98 57.17 2jxb s VAL 34 Cb -0.07 -2.88 0.01 0.00 -1.53 0.00 0.00 36.38 31.91 2jxb s VAL 34 CO -0.04 -0.32 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.60 2jxb s ILE 35 N -2.36 1.69 -0.40 7.04 -1.09 -0.70 -2.08 121.20 123.29 2jxb s ILE 35 Ca 0.33 -0.79 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 2jxb s ILE 35 Cb -0.05 -1.50 0.00 0.00 -1.58 0.00 0.00 42.46 39.34 2jxb s ILE 35 CO 0.21 0.48 1.52 0.00 -1.23 0.00 0.00 174.94 175.92 2jxb s ALA 36 N 0.61 2.96 0.41 9.38 0.00 0.76 0.22 121.76 136.10 2jxb s ALA 36 Ca -0.14 -0.09 0.13 0.00 0.00 0.00 0.00 51.96 51.86 2jxb s ALA 36 Cb -0.17 -3.98 0.98 0.00 0.00 0.00 0.00 23.12 19.96 2jxb s ALA 36 CO 0.04 -2.53 1.92 0.87 0.00 0.00 0.00 175.76 176.07 2jxb h LYS 37 N 11.40 0.47 -3.31 0.00 1.57 -1.44 -2.36 116.57 122.91 2jxb h LYS 37 Ca -0.29 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 2jxb h LYS 37 Cb 1.12 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 33.23 2jxb h LYS 37 CO 1.08 0.31 0.04 1.67 -0.57 0.00 0.00 179.45 181.98 2jxb s TRP 38 N -5.47 -0.07 0.20 -1.35 -2.14 -1.22 -4.61 118.94 104.28 2jxb s TRP 38 Ca -0.08 -0.28 -0.32 0.00 2.66 0.00 0.00 56.10 58.07 2jxb s TRP 38 Cb 0.21 0.40 -0.12 0.00 -3.10 0.00 0.00 33.47 30.86 2jxb s TRP 38 CO 0.77 -0.96 1.72 -0.40 -2.66 0.00 0.00 176.95 175.42 2jxb n ASP 39 N -0.36 3.96 -4.40 -2.66 3.85 -1.26 -4.39 116.55 111.29 2jxb n ASP 39 Ca -0.08 1.06 -0.34 0.00 -0.71 0.00 0.00 54.79 54.72 2jxb n ASP 39 Cb 0.62 -1.57 -0.14 0.00 -1.35 0.00 0.00 41.12 38.69 2jxb n ASP 39 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 2jxb s TYR 40 N 1.23 2.91 -0.46 2.11 5.04 0.88 -4.92 117.35 124.13 2jxb s TYR 40 Ca 0.76 -0.60 -0.13 0.00 -2.44 0.00 0.00 57.07 54.66 2jxb s TYR 40 Cb -0.51 -1.94 0.09 0.00 0.35 0.00 0.00 41.96 39.94 2jxb s TYR 40 CO 0.33 -0.23 0.36 0.99 -1.34 0.00 0.00 175.55 175.66 2jxb s THR 41 N 0.61 4.84 -0.34 4.34 2.01 -1.26 -0.85 115.64 124.99 2jxb s THR 41 Ca -0.05 -1.28 -0.31 0.00 0.31 0.00 0.00 61.69 60.36 2jxb s THR 41 Cb -0.15 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 2jxb s THR 41 CO 0.03 -0.61 2.25 0.00 -0.69 0.00 0.00 174.62 175.60 2jxb n ALA 42 N 5.10 1.32 0.14 7.40 0.00 -1.26 -4.81 120.51 128.40 2jxb n ALA 42 Ca -0.12 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.07 2jxb n ALA 42 Cb 0.43 -2.78 0.14 0.00 0.00 0.00 0.00 19.45 17.24 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 14.45 0.00 0.00 0.00 -0.00 -1.94 -3.46 115.11 124.15 2jxb h GLN 43 Ca -0.32 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.08 2jxb h GLN 43 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.74 2jxb h GLN 43 CO 1.03 0.59 -0.12 1.04 -0.00 0.00 0.00 178.83 181.36 2jxb n GLN 44 N -3.50 1.15 0.07 0.06 6.02 -1.26 -5.05 117.38 114.87 2jxb n GLN 44 Ca 0.00 -1.51 0.07 0.00 -0.01 0.00 0.00 57.00 55.55 2jxb n GLN 44 Cb 0.67 0.18 -0.05 0.00 1.02 0.00 0.00 30.24 32.06 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2jxb n ASP 45 N -1.89 0.75 0.20 1.08 5.75 -1.26 -3.93 116.55 117.25 2jxb n ASP 45 Ca -0.01 0.31 0.09 0.00 -0.01 0.00 0.00 54.79 55.16 2jxb n ASP 45 Cb 0.28 0.51 0.17 0.00 -1.03 0.00 0.00 41.12 41.05 2jxb n ASP 45 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2jxb h GLN 46 N 0.00 0.00 -7.07 0.11 7.50 -1.98 -3.46 115.11 110.22 2jxb h GLN 46 Ca -0.07 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 58.63 2jxb h GLN 46 Cb 1.22 0.00 0.06 0.00 0.05 0.00 0.00 27.48 28.81 2jxb h GLN 46 CO 0.02 0.18 0.11 -1.21 -1.50 0.00 0.00 178.83 176.43 2jxb s GLU 47 N -3.18 2.61 -0.02 1.46 0.41 -1.25 -3.08 118.70 115.65 2jxb s GLU 47 Ca 0.05 -0.32 0.06 0.00 -0.41 0.00 0.00 54.97 54.35 2jxb s GLU 47 Cb 0.06 -2.32 -0.01 0.00 -1.78 0.00 0.00 34.13 30.08 2jxb s GLU 47 CO 0.69 -0.83 -0.19 -1.17 -0.49 0.00 0.00 175.26 173.26 2jxb s LEU 48 N -4.97 2.02 -0.18 1.80 0.20 -1.12 -4.76 118.68 111.67 2jxb s LEU 48 Ca 0.56 -0.36 -0.22 0.00 0.69 0.00 0.00 54.13 54.80 2jxb s LEU 48 Cb -0.10 -1.01 -0.02 0.00 -0.43 0.00 0.00 46.19 44.62 2jxb s LEU 48 CO 0.43 0.23 0.68 -1.81 -0.29 0.00 0.00 176.35 175.58 2jxb s ASP 49 N -0.36 6.78 0.28 3.68 1.11 -1.26 -4.17 116.67 122.73 2jxb s ASP 49 Ca 0.05 0.95 0.02 0.00 0.18 0.00 0.00 52.55 53.75 2jxb s ASP 49 Cb -0.08 -2.38 -0.06 0.00 1.07 0.00 0.00 42.92 41.47 2jxb s ASP 49 CO -0.00 -0.28 0.07 0.27 1.18 0.00 0.00 175.17 176.41 2jxb s ILE 50 N 1.83 0.85 0.29 0.77 -4.36 -0.03 -4.95 121.20 115.60 2jxb s ILE 50 Ca 0.32 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.74 2jxb s ILE 50 Cb -0.16 -2.68 0.03 0.00 1.25 0.00 0.00 42.46 40.90 2jxb s ILE 50 CO 0.11 -0.02 0.25 0.29 0.24 0.00 0.00 174.94 175.81 2jxb n LYS 51 N -0.55 1.01 -1.88 0.37 4.01 -1.26 -0.09 118.16 119.78 2jxb n LYS 51 Ca -0.01 -1.73 -0.30 0.00 -0.51 0.00 0.00 58.31 55.76 2jxb n LYS 51 Cb 0.66 0.12 0.05 0.00 -0.51 0.00 0.00 35.03 35.35 2jxb n LYS 51 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2jxb s LYS 52 N -3.20 2.88 -1.00 1.97 1.02 -1.26 -3.80 119.74 116.35 2jxb s LYS 52 Ca 0.19 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.66 2jxb s LYS 52 Cb -0.02 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2jxb s LYS 52 CO 0.12 -1.02 0.00 -1.71 -0.92 0.00 0.00 175.35 171.82 2jxb n ASN 53 N -3.00 -3.63 -4.73 2.83 5.15 -0.89 -4.92 115.26 106.07 2jxb n ASN 53 Ca 0.07 0.22 -0.36 0.00 -0.60 0.00 0.00 54.58 53.92 2jxb n ASN 53 Cb 0.57 -3.13 -0.08 0.00 -0.53 0.00 0.00 39.78 36.62 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 -4.84 4.21 0.04 1.20 2.56 -1.25 -4.89 118.70 115.73 2jxb s GLU 54 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.97 54.93 2jxb s GLU 54 Cb 0.00 -3.42 -0.04 0.00 2.00 0.00 0.00 34.13 32.67 2jxb s GLU 54 CO 0.00 0.28 -0.04 -0.98 -0.56 0.00 0.00 175.26 173.95 2jxb s ARG 55 N 0.40 2.54 0.33 4.30 1.70 -1.26 -0.17 118.95 126.79 2jxb s ARG 55 Ca 0.12 -0.77 -0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2jxb s ARG 55 Cb -0.12 -2.52 -0.01 0.00 -0.57 0.00 0.00 34.95 31.74 2jxb s ARG 55 CO 0.01 0.58 0.41 -0.51 -1.08 0.00 0.00 175.30 174.71 2jxb s LEU 56 N -1.76 1.16 -0.35 -1.89 1.02 -0.88 -4.85 118.68 111.12 2jxb s LEU 56 Ca 0.20 -1.52 -0.18 0.00 0.02 0.00 0.00 54.13 52.65 2jxb s LEU 56 Cb -0.11 1.22 -0.00 0.00 0.02 0.00 0.00 46.19 47.31 2jxb s LEU 56 CO 0.11 -1.21 0.52 0.26 0.02 0.00 0.00 176.35 176.05 2jxb s TRP 57 N -3.24 3.18 -0.03 0.29 0.51 -0.89 -2.27 118.94 116.48 2jxb s TRP 57 Ca 0.33 0.17 -0.30 0.00 -2.12 0.00 0.00 56.10 54.18 2jxb s TRP 57 Cb 0.01 -2.94 -0.06 0.00 -0.81 0.00 0.00 33.47 29.67 2jxb s TRP 57 CO 0.21 -0.55 1.65 -0.51 -0.51 0.00 0.00 176.95 177.24 2jxb s LEU 58 N 2.41 4.33 0.00 2.99 1.43 0.12 -1.07 118.68 128.89 2jxb s LEU 58 Ca 0.19 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 2jxb s LEU 58 Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2jxb s LEU 58 CO 0.13 -0.91 0.00 0.18 0.23 0.00 0.00 176.35 175.98 2jxb n LEU 59 N 6.87 0.13 -3.72 1.79 4.77 0.14 -4.43 117.00 122.55 2jxb n LEU 59 Ca 0.17 0.09 -0.27 0.00 -0.03 0.00 0.00 56.01 55.97 2jxb n LEU 59 Cb 0.42 -0.41 -0.17 0.00 -2.33 0.00 0.00 43.42 40.94 2jxb n LEU 59 CO 0.62 -0.41 -0.36 -1.81 -1.33 0.00 0.00 177.39 174.11 2jxb s ASP 60 N -3.25 2.72 -0.70 -1.43 1.11 -1.10 -5.00 116.67 109.01 2jxb s ASP 60 Ca 0.00 -0.73 0.05 0.00 0.18 0.00 0.00 52.55 52.05 2jxb s ASP 60 Cb 0.00 -0.54 0.17 0.00 1.07 0.00 0.00 42.92 43.62 2jxb s ASP 60 CO 0.00 -0.30 0.49 1.51 1.18 0.00 0.00 175.17 178.05 2jxb s ASP 61 N 1.90 4.78 -0.13 0.27 1.47 -1.26 -2.14 116.67 121.57 2jxb s ASP 61 Ca -0.00 -3.86 -0.06 0.00 1.18 0.00 0.00 52.55 49.81 2jxb s ASP 61 Cb -0.16 -1.62 -0.06 0.00 -0.34 0.00 0.00 42.92 40.74 2jxb s ASP 61 CO -0.08 -0.08 -0.16 -1.20 0.68 0.00 0.00 175.17 174.32 2jxb n SER 62 N 1.97 0.96 -4.50 2.11 7.64 -1.26 -5.04 113.62 115.50 2jxb n SER 62 Ca 0.20 0.15 -0.25 0.00 1.01 0.00 0.00 58.87 59.98 2jxb n SER 62 Cb 0.35 -0.37 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 1.32 0.39 1.43 1.02 -1.26 -4.95 119.74 115.46 2jxb s LYS 63 Ca -0.18 -0.94 0.18 0.00 0.02 0.00 0.00 55.97 55.05 2jxb s LYS 63 Cb 0.07 -2.19 1.10 0.00 -0.52 0.00 0.00 37.83 36.29 2jxb s LYS 63 CO 0.23 -1.77 1.75 0.00 -0.92 0.00 0.00 175.35 174.64 2jxb h THR 64 N -0.88 0.48 -2.95 2.17 1.03 -1.93 -3.39 112.91 107.44 2jxb h THR 64 Ca -0.38 -0.13 -0.63 0.00 -0.01 0.00 0.00 66.41 65.26 2jxb h THR 64 Cb 1.25 0.06 -0.07 0.00 -1.07 0.00 0.00 68.15 68.32 2jxb h THR 64 CO 0.39 0.07 -0.33 0.26 -0.01 0.00 0.00 175.52 175.90 2jxb s TRP 65 N -5.52 3.62 0.15 0.00 0.52 -1.26 -2.34 118.94 114.11 2jxb s TRP 65 Ca -0.09 0.74 0.08 0.00 0.02 0.00 0.00 56.10 56.85 2jxb s TRP 65 Cb 0.26 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 2jxb s TRP 65 CO 0.80 0.58 -0.08 -1.58 0.02 0.00 0.00 176.95 176.69 2jxb s TRP 66 N -0.69 2.71 -0.13 -1.98 0.51 -0.63 -4.49 118.94 114.24 2jxb s TRP 66 Ca 0.19 -0.18 0.01 0.00 -2.12 0.00 0.00 56.10 53.99 2jxb s TRP 66 Cb -0.14 -1.35 -0.01 0.00 -0.81 0.00 0.00 33.47 31.15 2jxb s TRP 66 CO 0.08 0.48 -0.15 0.50 -0.51 0.00 0.00 176.95 177.35 2jxb s ARG 67 N -2.63 3.30 0.33 4.98 3.52 -0.91 -1.98 118.95 125.57 2jxb s ARG 67 Ca 0.24 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 2jxb s ARG 67 Cb -0.10 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 2jxb s ARG 67 CO 0.15 0.18 0.14 0.14 -0.81 0.00 0.00 175.30 175.11 2jxb s VAL 68 N 0.41 0.50 0.01 7.11 -7.23 -1.22 0.27 120.40 120.25 2jxb s VAL 68 Ca -0.12 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.14 2jxb s VAL 68 Cb -0.16 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 2jxb s VAL 68 CO 0.06 0.00 -0.26 -0.60 -0.31 0.00 0.00 175.10 173.99 2jxb s ARG 69 N -3.79 1.94 0.64 4.82 3.00 -0.23 -3.50 118.95 121.83 2jxb s ARG 69 Ca 0.33 -1.00 -0.05 0.00 -1.00 0.00 0.00 55.73 54.01 2jxb s ARG 69 Cb 0.05 -1.99 0.04 0.00 0.00 0.00 0.00 34.95 33.05 2jxb s ARG 69 CO 0.17 0.53 0.93 1.21 0.00 0.00 0.00 175.30 178.13 2jxb s ASN 70 N -0.89 5.12 0.44 -2.12 2.47 0.77 -2.09 114.94 118.63 2jxb s ASN 70 Ca 0.11 0.41 0.29 0.00 0.42 0.00 0.00 52.86 54.09 2jxb s ASN 70 Cb -0.10 -1.20 1.09 0.00 -1.45 0.00 0.00 41.25 39.59 2jxb s ASN 70 CO 0.00 -1.35 1.85 0.00 -3.72 0.00 0.00 177.10 173.88 2jxb h ALA 71 N -0.33 1.00 -0.53 1.71 0.00 -1.88 -2.79 119.26 116.43 2jxb h ALA 71 Ca -0.44 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 2jxb h ALA 71 Cb 1.30 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 2jxb h ALA 71 CO 0.59 0.00 0.18 0.00 0.00 0.00 0.00 179.25 180.02 2jxb n ALA 72 N -2.00 3.98 -1.50 0.00 0.00 -1.26 -4.85 120.51 114.89 2jxb n ALA 72 Ca 0.02 -1.66 -0.13 0.00 0.00 0.00 0.00 53.44 51.67 2jxb n ALA 72 Cb 0.33 -1.18 -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 0.02 -4.57 -4.89 0.00 3.02 -1.05 -4.99 115.26 102.80 2jxb n ASN 73 Ca 0.29 0.29 -0.29 0.00 -0.03 0.00 0.00 54.58 54.84 2jxb n ASN 73 Cb 1.10 -3.31 -0.02 0.00 -0.61 0.00 0.00 39.78 36.93 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 -3.34 3.68 -0.03 3.52 6.06 -1.25 -4.86 118.95 122.74 2jxb s ARG 74 Ca 0.00 0.33 -0.03 0.00 -2.50 0.00 0.00 55.73 53.53 2jxb s ARG 74 Cb 0.00 -2.41 0.01 0.00 0.06 0.00 0.00 34.95 32.60 2jxb s ARG 74 CO 0.00 -0.07 0.09 0.95 -2.50 0.00 0.00 175.30 173.77 2jxb s THR 75 N -2.47 0.02 0.03 4.11 -4.23 -1.26 -0.17 115.64 111.67 2jxb s THR 75 Ca 0.49 -0.17 -0.28 0.00 -1.18 0.00 0.00 61.69 60.55 2jxb s THR 75 Cb -0.10 -0.19 0.10 0.00 1.34 0.00 0.00 72.50 73.65 2jxb s THR 75 CO 0.36 -0.09 1.22 -0.83 -0.54 0.00 0.00 174.62 174.74 2jxb s GLY 76 N -0.27 -0.23 0.12 3.99 0.00 -1.23 -4.90 107.32 104.80 2jxb s GLY 76 Ca -0.03 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.00 2jxb s GLY 76 CO 0.00 2.18 0.17 -0.19 0.00 0.00 0.00 173.10 175.26 2jxb s TYR 77 N -2.34 3.30 -0.05 1.90 2.02 -1.18 -3.37 117.35 117.64 2jxb s TYR 77 Ca 0.20 0.09 -0.18 0.00 -0.37 0.00 0.00 57.07 56.81 2jxb s TYR 77 Cb 0.02 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2jxb s TYR 77 CO -0.01 0.53 0.40 0.14 -1.57 0.00 0.00 175.55 175.04 2jxb s VAL 78 N -1.61 0.04 -0.04 0.71 -7.23 -0.84 -2.80 120.40 108.62 2jxb s VAL 78 Ca 0.32 -0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 59.89 2jxb s VAL 78 Cb -0.11 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.09 2jxb s VAL 78 CO 0.25 -0.17 1.48 -2.16 -0.31 0.00 0.00 175.10 174.19 2jxb s PRO 79 N -1.03 4.23 0.67 4.82 0.04 -1.26 -1.61 135.00 140.86 2jxb s PRO 79 Ca -0.11 2.01 0.39 0.00 0.04 0.00 0.00 61.00 63.33 2jxb s PRO 79 Cb -0.04 -3.75 2.12 0.00 0.04 0.00 0.00 34.50 32.87 2jxb s PRO 79 CO 0.05 -0.70 2.20 0.66 0.04 0.00 0.00 177.00 179.24 2jxb h SER 80 N 8.52 0.00 0.23 6.66 4.64 -1.80 0.32 113.55 132.12 2jxb h SER 80 Ca -0.37 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.86 2jxb h SER 80 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2jxb h SER 80 CO 0.93 0.00 -0.36 0.78 -0.87 0.00 0.00 176.83 177.32 2jxb h ASN 81 N 0.00 0.19 -0.19 4.97 4.21 -1.90 -2.41 115.58 120.45 2jxb h ASN 81 Ca 0.00 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2jxb h ASN 81 Cb 0.26 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2jxb h ASN 81 CO -0.00 0.54 0.00 -1.22 -1.29 0.00 0.00 177.43 175.46 2jxb n TYR 82 N -4.08 0.23 -4.40 1.19 4.02 0.09 -4.92 117.16 109.30 2jxb n TYR 82 Ca -0.01 -0.12 -0.21 0.00 -0.01 0.00 0.00 57.90 57.55 2jxb n TYR 82 Cb 0.43 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.65 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 -1.77 1.98 -0.30 -0.72 0.11 -0.91 -1.17 120.40 117.63 2jxb s VAL 83 Ca 0.34 -2.27 -0.06 0.00 -2.93 0.00 0.00 61.98 57.07 2jxb s VAL 83 Cb 0.20 -2.18 0.16 0.00 -1.53 0.00 0.00 36.38 33.03 2jxb s VAL 83 CO 0.30 -0.49 0.63 -0.70 -3.33 0.00 0.00 175.10 171.51 2jxb s GLU 84 N -3.61 0.57 0.73 1.54 2.56 0.13 -4.75 118.70 115.88 2jxb s GLU 84 Ca 0.26 1.23 -0.11 0.00 0.00 0.00 0.00 54.97 56.35 2jxb s GLU 84 Cb -0.02 0.72 0.03 0.00 2.00 0.00 0.00 34.13 36.86 2jxb s GLU 84 CO 0.10 -0.40 1.07 -0.98 -0.56 0.00 0.00 175.26 174.49 2jxb s ARG 85 N 2.88 2.65 0.00 4.30 1.70 -1.26 -1.73 118.95 127.49 2jxb s ARG 85 Ca 0.07 0.89 0.04 0.00 -0.47 0.00 0.00 55.73 56.26 2jxb s ARG 85 Cb -0.13 -1.96 0.26 0.00 -0.57 0.00 0.00 34.95 32.54 2jxb s ARG 85 CO -0.20 -1.28 0.73 0.36 -1.08 0.00 0.00 175.30 173.83