#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 1.06 -3.25 1.57 2.81 -1.26 -5.09 117.12 112.96 2jxb n MET 2 Ca 0.00 -3.63 -0.08 0.00 -1.81 0.00 0.00 57.70 52.18 2jxb n MET 2 Cb 0.00 -1.64 0.01 0.00 -0.71 0.00 0.00 33.22 30.87 2jxb n MET 2 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2jxb n LYS 3 N 1.71 0.79 -4.51 0.03 2.85 -1.26 -5.16 118.16 112.60 2jxb n LYS 3 Ca 0.25 -1.88 -0.34 0.00 -1.05 0.00 0.00 58.31 55.29 2jxb n LYS 3 Cb 0.47 2.16 -0.11 0.00 -0.65 0.00 0.00 35.03 36.90 2jxb n LYS 3 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2jxb s GLU 4 N -2.24 3.15 0.58 -1.58 2.02 -1.26 -5.01 118.70 114.37 2jxb s GLU 4 Ca 0.16 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.62 2jxb s GLU 4 Cb -0.03 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.46 2jxb s GLU 4 CO 0.11 0.49 0.00 0.54 0.02 0.00 0.00 175.26 176.43 2jxb n ARG 5 N 2.75 -3.14 -1.18 1.61 1.74 -1.26 -4.91 116.66 112.27 2jxb n ARG 5 Ca -0.18 2.57 -0.29 0.00 -0.77 0.00 0.00 57.85 59.18 2jxb n ARG 5 Cb 0.53 -3.63 0.16 0.00 -1.02 0.00 0.00 32.46 28.50 2jxb n ARG 5 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2jxb s PRO 6 N -4.27 0.70 0.98 5.56 0.04 -1.26 -5.04 135.00 131.71 2jxb s PRO 6 Ca 0.00 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 61.54 2jxb s PRO 6 Cb 0.00 -1.76 0.18 0.00 0.04 0.00 0.00 34.50 32.96 2jxb s PRO 6 CO 0.00 -2.57 1.09 -1.25 0.04 0.00 0.00 177.00 174.31 2jxb s PRO 7 N -4.95 0.59 1.14 0.56 0.04 -1.26 -5.05 135.00 126.08 2jxb s PRO 7 Ca 0.65 0.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 2jxb s PRO 7 Cb -0.18 -1.75 0.26 0.00 0.04 0.00 0.00 34.50 32.86 2jxb s PRO 7 CO 0.57 -2.64 1.10 -1.25 0.04 0.00 0.00 177.00 174.83 2jxb s PRO 8 N -4.96 -0.74 0.46 0.56 0.04 -1.26 -4.96 135.00 124.14 2jxb s PRO 8 Ca 0.65 0.11 -0.23 0.00 0.04 0.00 0.00 61.00 61.57 2jxb s PRO 8 Cb -0.18 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2jxb s PRO 8 CO 0.57 -3.43 1.06 1.33 0.04 0.00 0.00 177.00 176.58 2jxb n VAL 9 N -4.59 2.75 -1.30 -0.36 0.24 -1.26 -4.80 118.33 109.01 2jxb n VAL 9 Ca 0.10 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.50 2jxb n VAL 9 Cb 0.59 -1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 31.64 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 -0.14 1.43 -3.18 7.34 -0.04 -1.26 -4.53 135.00 134.62 2jxb n PRO 10 Ca 0.10 -1.92 -0.23 0.00 -0.04 0.00 0.00 63.50 61.40 2jxb n PRO 10 Cb 0.41 -3.06 0.02 0.00 -0.04 0.00 0.00 33.50 30.83 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 9.00 -5.36 -4.75 3.54 0.23 -1.26 -4.83 115.26 111.83 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 4.42 -0.41 -0.53 0.04 -1.26 -4.95 135.00 130.54 2jxb s PRO 12 Ca 0.23 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.43 2jxb s PRO 12 Cb -0.02 -3.16 0.37 0.00 0.04 0.00 0.00 34.50 31.72 2jxb s PRO 12 CO 0.52 -0.16 0.83 -3.47 0.04 0.00 0.00 177.00 174.76 2jxb n ASP 13 N 1.95 1.95 -0.01 6.66 2.03 -1.26 -4.82 116.55 123.05 2jxb n ASP 13 Ca 0.03 -3.15 0.06 0.00 0.52 0.00 0.00 54.79 52.25 2jxb n ASP 13 Cb 0.43 -0.58 -0.10 0.00 -0.72 0.00 0.00 41.12 40.15 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jxb n TYR 14 N 0.07 0.00 -3.36 -0.67 0.18 -1.26 -4.86 117.16 107.25 2jxb n TYR 14 Ca 0.25 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.58 2jxb n TYR 14 Cb 0.62 -0.26 -0.06 0.00 -0.38 0.00 0.00 39.34 39.26 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 -3.35 6.09 -0.17 9.48 0.02 -1.26 -4.87 114.94 120.88 2jxb s ASN 15 Ca -0.04 -1.79 -0.11 0.00 -1.02 0.00 0.00 52.86 49.90 2jxb s ASN 15 Cb 0.08 -2.17 -0.07 0.00 0.02 0.00 0.00 41.25 39.11 2jxb s ASN 15 CO 0.53 -0.82 -0.26 -1.20 0.02 0.00 0.00 177.10 175.38 2jxb n SER 16 N 5.18 1.52 -3.87 -1.22 7.64 -1.26 -5.09 113.62 116.52 2jxb n SER 16 Ca -0.13 0.26 -0.09 0.00 1.01 0.00 0.00 58.87 59.92 2jxb n SER 16 Cb 0.40 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 2jxb n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jxb s LEU 17 N -7.29 0.55 0.30 -3.43 1.02 -1.26 -5.17 118.68 103.41 2jxb s LEU 17 Ca -0.26 -0.71 -0.10 0.00 0.02 0.00 0.00 54.13 53.08 2jxb s LEU 17 Cb 0.08 1.63 -0.07 0.00 0.02 0.00 0.00 46.19 47.85 2jxb s LEU 17 CO 0.34 -0.98 0.64 -0.54 0.02 0.00 0.00 176.35 175.84 2jxb s LYS 18 N -3.93 3.81 -1.01 1.70 3.01 -1.26 -4.43 119.74 117.63 2jxb s LYS 18 Ca 0.14 0.35 -0.10 0.00 -1.01 0.00 0.00 55.97 55.35 2jxb s LYS 18 Cb 0.01 -2.54 -0.03 0.00 -1.01 0.00 0.00 37.83 34.27 2jxb s LYS 18 CO -0.01 0.18 0.81 1.63 0.51 0.00 0.00 175.35 178.47 2jxb n LYS 19 N -0.63 -1.64 0.19 1.68 5.02 -1.26 -4.90 118.16 116.63 2jxb n LYS 19 Ca 0.01 0.83 0.05 0.00 -2.02 0.00 0.00 58.31 57.19 2jxb n LYS 19 Cb 0.53 -4.95 0.33 0.00 -0.02 0.00 0.00 35.03 30.92 2jxb n LYS 19 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2jxb h GLY 20 N -1.03 0.00 -5.56 0.72 0.00 -2.05 -3.48 103.07 91.68 2jxb h GLY 20 Ca -0.51 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.61 2jxb h GLY 20 CO 0.42 0.00 -0.62 1.44 0.00 0.00 0.00 176.54 177.78 2jxb n SER 21 N -3.56 -6.79 -3.56 0.19 7.64 -1.26 -4.97 113.62 101.30 2jxb n SER 21 Ca -0.00 -0.56 -0.27 0.00 1.01 0.00 0.00 58.87 59.04 2jxb n SER 21 Cb 0.51 -4.92 0.25 0.00 -1.01 0.00 0.00 64.21 59.04 2jxb n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jxb n LEU 22 N -2.89 -0.90 0.00 -3.43 4.32 -1.26 -5.06 117.00 107.77 2jxb n LEU 22 Ca -0.06 -0.62 -0.03 0.00 -0.02 0.00 0.00 56.01 55.28 2jxb n LEU 22 Cb 0.58 -0.98 -0.01 0.00 -1.62 0.00 0.00 43.42 41.40 2jxb n LEU 22 CO 0.58 -4.03 0.03 1.33 -1.22 0.00 0.00 177.39 174.08 2jxb n VAL 23 N -5.31 0.00 -3.96 4.08 0.24 -1.26 -5.17 118.33 106.95 2jxb n VAL 23 Ca 0.09 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.34 61.65 2jxb n VAL 23 Cb 0.53 0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 33.09 2jxb n VAL 23 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jxb s LYS 24 N -2.19 3.33 0.16 7.34 1.02 -1.26 -5.10 119.74 123.04 2jxb s LYS 24 Ca 0.07 -0.34 -0.23 0.00 0.02 0.00 0.00 55.97 55.48 2jxb s LYS 24 Cb -0.00 -3.04 0.07 0.00 -0.52 0.00 0.00 37.83 34.34 2jxb s LYS 24 CO 0.05 0.68 0.60 0.54 -0.92 0.00 0.00 175.35 176.29 2jxb s ASN 25 N -1.77 -0.56 -0.00 2.83 2.20 -1.26 -5.07 114.94 111.30 2jxb s ASN 25 Ca 0.25 -0.01 -0.25 0.00 -0.94 0.00 0.00 52.86 51.91 2jxb s ASN 25 Cb -0.12 0.60 -0.18 0.00 -2.00 0.00 0.00 41.25 39.54 2jxb s ASN 25 CO 0.16 -0.97 1.26 -0.07 -2.94 0.00 0.00 177.10 174.54 2jxb h LEU 26 N 2.01 -0.14 0.00 3.54 3.38 -2.08 -3.49 115.31 118.53 2jxb h LEU 26 Ca -0.34 -0.31 0.17 0.00 0.09 0.00 0.00 57.88 57.49 2jxb h LEU 26 Cb 1.31 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2jxb h LEU 26 CO 0.38 0.26 -0.23 1.41 0.09 0.00 0.00 178.44 180.35 2jxb n HIS 27 N -4.98 -2.72 -2.97 1.13 8.25 -1.26 -4.48 115.22 108.19 2jxb n HIS 27 Ca -0.09 0.80 -0.43 0.00 -0.26 0.00 0.00 57.72 57.74 2jxb n HIS 27 Cb 0.23 -1.32 -0.05 0.00 1.12 0.00 0.00 29.99 29.98 2jxb n HIS 27 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2jxb s MET 28 N -0.99 3.21 -0.28 -0.41 1.75 -1.26 -5.02 119.30 116.30 2jxb s MET 28 Ca 0.00 -0.63 -0.13 0.00 -1.25 0.00 0.00 55.69 53.68 2jxb s MET 28 Cb 0.00 -4.11 -0.04 0.00 2.84 0.00 0.00 34.83 33.52 2jxb s MET 28 CO 0.00 -1.45 0.28 0.95 -0.65 0.00 0.00 175.02 174.15 2jxb s THR 29 N 3.44 5.25 0.00 10.11 -4.23 -1.26 -4.89 115.64 124.05 2jxb s THR 29 Ca 0.23 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 2jxb s THR 29 Cb -0.16 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2jxb s THR 29 CO 0.15 0.18 0.00 -0.62 -0.54 0.00 0.00 174.62 173.79 2jxb n GLU 30 N 5.19 0.00 -3.22 3.99 4.71 -1.26 -5.10 120.64 124.95 2jxb n GLU 30 Ca -0.11 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.79 2jxb n GLU 30 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.88 2jxb n GLU 30 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2jxb n GLU 31 N 0.00 1.91 -4.18 3.49 1.02 -1.26 -5.01 120.64 116.61 2jxb n GLU 31 Ca 0.00 -4.10 -0.25 0.00 -0.02 0.00 0.00 57.16 52.79 2jxb n GLU 31 Cb 0.00 -1.87 -0.07 0.00 -0.02 0.00 0.00 31.44 29.48 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 -2.52 3.97 -0.01 2.62 1.01 -1.26 -5.03 120.40 119.18 2jxb s VAL 32 Ca 0.40 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2jxb s VAL 32 Cb 0.21 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2jxb s VAL 32 CO -0.08 -0.18 -0.01 -0.63 0.00 0.00 0.00 175.10 174.20 2jxb s ILE 33 N -1.88 0.13 0.50 2.22 1.01 -1.26 -0.09 121.20 121.83 2jxb s ILE 33 Ca 0.30 0.00 0.06 0.00 0.00 0.00 0.00 60.65 61.01 2jxb s ILE 33 Cb -0.09 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.23 2jxb s ILE 33 CO 0.21 0.08 0.40 0.54 0.00 0.00 0.00 174.94 176.16 2jxb s VAL 34 N 0.40 2.02 -0.06 2.92 0.11 -0.95 -4.16 120.40 120.69 2jxb s VAL 34 Ca -0.04 -1.44 -0.02 0.00 -2.93 0.00 0.00 61.98 57.55 2jxb s VAL 34 Cb -0.06 -2.47 0.04 0.00 -1.53 0.00 0.00 36.38 32.36 2jxb s VAL 34 CO -0.01 0.00 0.10 -0.63 -3.33 0.00 0.00 175.10 171.23 2jxb s ILE 35 N -2.67 -0.15 -0.26 7.04 1.01 -1.19 -2.56 121.20 122.43 2jxb s ILE 35 Ca 0.40 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 61.10 2jxb s ILE 35 Cb -0.02 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 2jxb s ILE 35 CO 0.24 0.14 1.45 0.00 0.00 0.00 0.00 174.94 176.77 2jxb s ALA 36 N 1.89 3.32 0.48 9.38 0.00 0.82 0.07 121.76 137.72 2jxb s ALA 36 Ca -0.00 0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.37 2jxb s ALA 36 Cb -0.12 -3.81 1.10 0.00 0.00 0.00 0.00 23.12 20.29 2jxb s ALA 36 CO -0.04 -1.85 2.11 0.87 0.00 0.00 0.00 175.76 176.85 2jxb h LYS 37 N 9.96 0.21 0.00 0.00 1.57 -1.36 -2.73 116.57 124.22 2jxb h LYS 37 Ca -0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2jxb h LYS 37 Cb 1.12 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2jxb h LYS 37 CO 1.02 0.14 0.00 0.91 -0.57 0.00 0.00 179.45 180.95 2jxb n TRP 38 N -4.51 -0.30 -4.11 -1.35 7.02 -1.22 -4.52 117.44 108.45 2jxb n TRP 38 Ca -0.01 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.13 2jxb n TRP 38 Cb 0.08 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.87 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 -0.75 5.46 0.05 -0.99 3.84 -1.26 -3.66 116.67 119.35 2jxb s ASP 39 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 52.55 52.68 2jxb s ASP 39 Cb 0.00 -1.89 -0.03 0.00 -1.38 0.00 0.00 42.92 39.63 2jxb s ASP 39 CO 0.00 0.20 -0.20 -0.47 -0.00 0.00 0.00 175.17 174.71 2jxb s TYR 40 N 0.20 1.71 -0.19 2.11 5.04 0.87 -4.93 117.35 122.16 2jxb s TYR 40 Ca 0.03 -0.37 -0.13 0.00 -2.44 0.00 0.00 57.07 54.16 2jxb s TYR 40 Cb -0.13 -1.01 -0.05 0.00 0.35 0.00 0.00 41.96 41.13 2jxb s TYR 40 CO 0.01 0.09 0.25 0.99 -1.34 0.00 0.00 175.55 175.55 2jxb s THR 41 N -0.83 5.32 -0.58 4.34 2.01 -1.26 -2.33 115.64 122.32 2jxb s THR 41 Ca 0.06 0.42 -0.27 0.00 0.31 0.00 0.00 61.69 62.21 2jxb s THR 41 Cb -0.09 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 2jxb s THR 41 CO 0.02 0.37 2.46 0.00 -0.69 0.00 0.00 174.62 176.78 2jxb n ALA 42 N 3.87 0.73 0.25 7.40 0.00 -1.26 -4.78 120.51 126.71 2jxb n ALA 42 Ca -0.13 -0.76 0.07 0.00 0.00 0.00 0.00 53.44 52.62 2jxb n ALA 42 Cb 0.52 -3.00 0.59 0.00 0.00 0.00 0.00 19.45 17.56 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 17.78 0.00 0.00 0.00 -0.00 -1.92 -3.45 115.11 127.52 2jxb h GLN 43 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 2jxb h GLN 43 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2jxb h GLN 43 CO 1.19 0.08 0.00 1.04 -0.00 0.00 0.00 178.83 181.14 2jxb n GLN 44 N -4.43 0.27 0.11 0.06 6.02 -1.26 -5.05 117.38 113.10 2jxb n GLN 44 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.02 2jxb n GLN 44 Cb 0.15 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.42 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 0.00 0.00 1.35 1.08 3.32 -2.03 -3.29 116.42 116.85 2jxb h ASP 45 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2jxb h ASP 45 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2jxb h ASP 45 CO 0.00 0.32 -0.49 -0.61 -1.72 0.00 0.00 179.24 176.74 2jxb h GLN 46 N 0.00 0.00 -7.54 3.56 4.15 -1.98 -3.46 115.11 109.85 2jxb h GLN 46 Ca -0.05 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 58.91 2jxb h GLN 46 Cb 1.29 0.00 0.10 0.00 0.21 0.00 0.00 27.48 29.09 2jxb h GLN 46 CO 0.03 0.49 0.34 -1.21 -1.93 0.00 0.00 178.83 176.56 2jxb s GLU 47 N -3.07 1.77 -0.02 1.69 0.41 -1.24 -2.62 118.70 115.61 2jxb s GLU 47 Ca 0.03 -0.16 0.05 0.00 -0.41 0.00 0.00 54.97 54.49 2jxb s GLU 47 Cb 0.08 -2.01 -0.01 0.00 -1.78 0.00 0.00 34.13 30.41 2jxb s GLU 47 CO 0.73 -1.64 -0.18 -1.17 -0.49 0.00 0.00 175.26 172.52 2jxb s LEU 48 N -5.52 2.01 -0.43 1.80 0.20 0.76 -4.39 118.68 113.10 2jxb s LEU 48 Ca 0.64 -0.33 -0.27 0.00 0.69 0.00 0.00 54.13 54.87 2jxb s LEU 48 Cb -0.09 -0.92 0.02 0.00 -0.43 0.00 0.00 46.19 44.77 2jxb s LEU 48 CO 0.48 0.21 0.99 -1.81 -0.29 0.00 0.00 176.35 175.93 2jxb s ASP 49 N -0.33 6.61 0.02 3.68 1.01 -1.26 -4.44 116.67 121.96 2jxb s ASP 49 Ca 0.05 0.39 0.01 0.00 0.71 0.00 0.00 52.55 53.71 2jxb s ASP 49 Cb -0.08 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2jxb s ASP 49 CO -0.00 -1.04 0.06 0.27 0.21 0.00 0.00 175.17 174.66 2jxb s ILE 50 N 3.86 4.52 0.30 0.77 -4.36 -0.98 -4.96 121.20 120.35 2jxb s ILE 50 Ca 0.41 -0.57 0.09 0.00 -0.26 0.00 0.00 60.65 60.32 2jxb s ILE 50 Cb -0.10 -3.09 -0.04 0.00 1.25 0.00 0.00 42.46 40.48 2jxb s ILE 50 CO 0.25 0.29 0.04 -0.54 0.24 0.00 0.00 174.94 175.22 2jxb s LYS 51 N -1.88 2.29 0.49 0.37 1.02 -1.26 -0.09 119.74 120.68 2jxb s LYS 51 Ca 0.24 -1.51 -0.21 0.00 0.02 0.00 0.00 55.97 54.51 2jxb s LYS 51 Cb -0.12 -2.13 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 2jxb s LYS 51 CO 0.15 0.25 0.70 1.17 -0.92 0.00 0.00 175.35 176.70 2jxb n LYS 52 N -0.98 0.77 -4.09 1.68 3.00 -1.24 -2.61 118.16 114.69 2jxb n LYS 52 Ca -0.05 0.29 -0.48 0.00 -0.00 0.00 0.00 58.31 58.07 2jxb n LYS 52 Cb 0.60 -1.77 0.02 0.00 0.00 0.00 0.00 35.03 33.88 2jxb n LYS 52 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2jxb n ASN 53 N 0.60 -4.12 -4.21 3.14 6.94 -1.03 -4.94 115.26 111.64 2jxb n ASN 53 Ca 0.11 -1.31 -0.32 0.00 -0.02 0.00 0.00 54.58 53.04 2jxb n ASN 53 Cb 0.43 -1.62 -0.16 0.00 -2.36 0.00 0.00 39.78 36.07 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 -7.48 3.06 0.02 -3.83 2.56 -1.07 -4.93 118.70 107.02 2jxb s GLU 54 Ca 0.50 -0.85 0.02 0.00 0.00 0.00 0.00 54.97 54.64 2jxb s GLU 54 Cb -0.28 -2.41 -0.04 0.00 2.00 0.00 0.00 34.13 33.41 2jxb s GLU 54 CO 0.98 0.07 -0.01 -0.98 -0.56 0.00 0.00 175.26 174.76 2jxb s ARG 55 N 0.61 2.71 0.34 4.30 1.70 -1.26 -0.12 118.95 127.22 2jxb s ARG 55 Ca -0.12 -0.68 -0.01 0.00 -0.47 0.00 0.00 55.73 54.46 2jxb s ARG 55 Cb -0.16 -2.62 -0.00 0.00 -0.57 0.00 0.00 34.95 31.59 2jxb s ARG 55 CO 0.03 0.60 0.44 -0.51 -1.08 0.00 0.00 175.30 174.78 2jxb s LEU 56 N -1.72 1.12 -0.32 -1.89 1.02 -1.06 -4.93 118.68 110.91 2jxb s LEU 56 Ca 0.21 -1.52 -0.20 0.00 0.02 0.00 0.00 54.13 52.63 2jxb s LEU 56 Cb -0.12 1.31 -0.01 0.00 0.02 0.00 0.00 46.19 47.40 2jxb s LEU 56 CO 0.12 -1.25 0.62 0.26 0.02 0.00 0.00 176.35 176.12 2jxb s TRP 57 N -3.14 3.20 0.04 0.29 0.51 0.65 -2.24 118.94 118.25 2jxb s TRP 57 Ca 0.32 0.50 -0.30 0.00 -2.12 0.00 0.00 56.10 54.50 2jxb s TRP 57 Cb 0.00 -3.01 -0.07 0.00 -0.81 0.00 0.00 33.47 29.58 2jxb s TRP 57 CO 0.21 -0.51 1.57 -0.51 -0.51 0.00 0.00 176.95 177.20 2jxb s LEU 58 N 2.61 4.35 0.00 2.99 1.43 0.88 -0.64 118.68 130.29 2jxb s LEU 58 Ca 0.24 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 2jxb s LEU 58 Cb -0.15 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2jxb s LEU 58 CO 0.13 -0.83 0.00 0.18 0.23 0.00 0.00 176.35 176.05 2jxb n LEU 59 N 5.56 0.00 -3.72 1.79 4.77 0.12 -4.45 117.00 121.07 2jxb n LEU 59 Ca 0.15 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.85 2jxb n LEU 59 Cb 0.42 -0.42 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 2jxb n LEU 59 CO 0.61 -0.47 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.22 2jxb s ASP 60 N -3.94 2.96 -0.67 -1.43 2.15 -1.21 -4.89 116.67 109.65 2jxb s ASP 60 Ca 0.00 -0.88 0.05 0.00 0.43 0.00 0.00 52.55 52.16 2jxb s ASP 60 Cb 0.00 -0.58 0.19 0.00 -0.30 0.00 0.00 42.92 42.23 2jxb s ASP 60 CO 0.00 -0.32 0.56 -0.90 -0.17 0.00 0.00 175.17 174.34 2jxb n ASP 61 N 5.06 3.03 -0.06 -0.34 5.68 -1.26 -1.56 116.55 127.09 2jxb n ASP 61 Ca -0.08 -3.23 -0.14 0.00 -0.50 0.00 0.00 54.79 50.84 2jxb n ASP 61 Cb 0.47 -0.72 -0.05 0.00 -1.14 0.00 0.00 41.12 39.68 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 1.68 0.90 -4.45 -1.12 7.64 -1.26 -5.03 113.62 111.98 2jxb n SER 62 Ca 0.23 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 60.01 2jxb n SER 62 Cb 0.38 -0.38 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 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 1.24 0.33 1.43 1.02 -1.26 -4.94 119.74 115.32 2jxb s LYS 63 Ca -0.18 -0.82 0.13 0.00 0.02 0.00 0.00 55.97 55.13 2jxb s LYS 63 Cb 0.07 -2.13 1.02 0.00 -0.52 0.00 0.00 37.83 36.28 2jxb s LYS 63 CO 0.22 -1.86 1.69 0.00 -0.92 0.00 0.00 175.35 174.48 2jxb h THR 64 N -1.00 0.38 -3.06 2.17 1.03 -1.93 -3.38 112.91 107.12 2jxb h THR 64 Ca -0.40 -0.14 -0.61 0.00 -0.01 0.00 0.00 66.41 65.26 2jxb h THR 64 Cb 1.25 -0.07 -0.06 0.00 -1.07 0.00 0.00 68.15 68.20 2jxb h THR 64 CO 0.39 0.07 -0.21 0.26 -0.01 0.00 0.00 175.52 176.02 2jxb s TRP 65 N -5.70 3.68 0.17 0.00 0.52 -1.26 -2.44 118.94 113.91 2jxb s TRP 65 Ca -0.10 0.94 0.08 0.00 0.02 0.00 0.00 56.10 57.03 2jxb s TRP 65 Cb 0.29 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 2jxb s TRP 65 CO 0.79 0.56 -0.05 -1.58 0.02 0.00 0.00 176.95 176.70 2jxb s TRP 66 N -0.77 2.75 -0.16 -1.98 0.51 -0.45 -4.46 118.94 114.38 2jxb s TRP 66 Ca 0.23 -0.17 -0.04 0.00 -2.12 0.00 0.00 56.10 54.00 2jxb s TRP 66 Cb -0.16 -1.35 -0.03 0.00 -0.81 0.00 0.00 33.47 31.13 2jxb s TRP 66 CO 0.12 0.51 -0.03 0.50 -0.51 0.00 0.00 176.95 177.54 2jxb s ARG 67 N -2.83 3.66 0.12 4.98 3.52 -0.60 -1.95 118.95 125.85 2jxb s ARG 67 Ca 0.26 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.38 2jxb s ARG 67 Cb -0.09 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 2jxb s ARG 67 CO 0.17 0.19 -0.11 0.14 -0.81 0.00 0.00 175.30 174.88 2jxb s VAL 68 N 0.50 1.11 0.01 7.11 -7.23 -1.20 0.16 120.40 120.85 2jxb s VAL 68 Ca -0.03 -1.86 0.06 0.00 -1.81 0.00 0.00 61.98 58.35 2jxb s VAL 68 Cb -0.14 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 2jxb s VAL 68 CO 0.03 -0.63 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.39 2jxb s ARG 69 N -3.24 1.52 0.67 4.82 3.52 0.19 -2.77 118.95 123.66 2jxb s ARG 69 Ca 0.11 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.97 2jxb s ARG 69 Cb -0.01 -1.53 0.12 0.00 -1.56 0.00 0.00 34.95 31.98 2jxb s ARG 69 CO 0.01 0.41 0.92 0.54 -0.81 0.00 0.00 175.30 176.37 2jxb s ASN 70 N -0.72 4.61 0.20 -2.12 4.22 -0.85 -0.26 114.94 120.03 2jxb s ASN 70 Ca 0.07 -0.68 0.19 0.00 -2.14 0.00 0.00 52.86 50.31 2jxb s ASN 70 Cb -0.08 0.30 0.87 0.00 1.28 0.00 0.00 41.25 43.62 2jxb s ASN 70 CO 0.00 -1.70 1.60 0.00 -2.04 0.00 0.00 177.10 174.95 2jxb n ALA 71 N -2.60 1.47 1.51 3.54 0.00 -1.26 -1.73 120.51 121.44 2jxb n ALA 71 Ca 0.17 0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.73 2jxb n ALA 71 Cb 0.61 -1.31 0.17 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.70 2.50 -1.21 0.00 0.00 -1.26 -4.86 120.51 113.98 2jxb n ALA 72 Ca 0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.09 2jxb n ALA 72 Cb 0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.07 -5.02 -4.82 0.00 3.02 -0.70 -4.97 115.26 102.69 2jxb n ASN 73 Ca 0.08 0.18 -0.38 0.00 -0.03 0.00 0.00 54.58 54.42 2jxb n ASN 73 Cb 0.15 -3.15 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 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 -2.31 4.05 0.00 3.52 6.06 -1.26 -4.91 118.95 124.11 2jxb s ARG 74 Ca 0.00 0.54 0.08 0.00 -2.50 0.00 0.00 55.73 53.84 2jxb s ARG 74 Cb 0.00 -3.24 -0.03 0.00 0.06 0.00 0.00 34.95 31.74 2jxb s ARG 74 CO 0.00 0.64 -0.23 0.95 -2.50 0.00 0.00 175.30 174.16 2jxb s THR 75 N -0.98 2.35 0.00 4.11 -4.23 -1.26 -2.00 115.64 113.63 2jxb s THR 75 Ca 0.26 -1.13 -0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2jxb s THR 75 Cb -0.18 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2jxb s THR 75 CO 0.15 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 2jxb n GLY 76 N 2.11 2.67 3.45 3.99 0.00 -1.12 -4.97 105.19 111.32 2jxb n GLY 76 Ca -0.16 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 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 -6.64 2.43 -0.12 1.61 1.51 -1.08 -3.28 117.35 111.79 2jxb s TYR 77 Ca 0.00 -0.31 -0.22 0.00 -1.01 0.00 0.00 57.07 55.53 2jxb s TYR 77 Cb -0.00 -1.27 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2jxb s TYR 77 CO 0.00 0.40 0.54 0.14 -1.11 0.00 0.00 175.55 175.52 2jxb s VAL 78 N -1.27 0.01 -0.00 0.71 -7.23 -0.82 -0.17 120.40 111.63 2jxb s VAL 78 Ca 0.18 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 59.94 2jxb s VAL 78 Cb -0.10 -0.80 -0.06 0.00 0.56 0.00 0.00 36.38 35.98 2jxb s VAL 78 CO 0.09 -0.06 1.45 -2.16 -0.31 0.00 0.00 175.10 174.11 2jxb s PRO 79 N -0.49 4.26 0.60 4.82 0.04 -1.26 -1.34 135.00 141.64 2jxb s PRO 79 Ca -0.06 2.02 0.38 0.00 0.04 0.00 0.00 61.00 63.37 2jxb s PRO 79 Cb -0.03 -3.62 2.05 0.00 0.04 0.00 0.00 34.50 32.94 2jxb s PRO 79 CO 0.04 -0.62 2.15 0.66 0.04 0.00 0.00 177.00 179.27 2jxb h SER 80 N 8.04 0.00 0.54 6.66 4.64 -1.80 0.22 113.55 131.85 2jxb h SER 80 Ca -0.38 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.83 2jxb h SER 80 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2jxb h SER 80 CO 0.91 0.00 -0.53 0.78 -0.87 0.00 0.00 176.83 177.12 2jxb h ASN 81 N 0.00 0.00 -0.23 4.97 4.21 -1.90 -2.73 115.58 119.90 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 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2jxb h ASN 81 CO 0.00 0.53 0.00 -1.22 -1.29 0.00 0.00 177.43 175.45 2jxb n TYR 82 N -3.90 0.29 -4.31 1.19 4.02 0.05 -4.93 117.16 109.58 2jxb n TYR 82 Ca -0.01 -0.14 -0.17 0.00 -0.01 0.00 0.00 57.90 57.56 2jxb n TYR 82 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.71 1.53 -0.30 -0.72 0.11 -1.03 -0.99 120.40 117.29 2jxb s VAL 83 Ca 0.35 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.30 2jxb s VAL 83 Cb 0.21 -1.92 0.19 0.00 -1.53 0.00 0.00 36.38 33.33 2jxb s VAL 83 CO 0.30 -0.61 0.60 -0.70 -3.33 0.00 0.00 175.10 171.36 2jxb s GLU 84 N -3.54 0.57 0.95 1.54 2.12 0.11 -4.77 118.70 115.67 2jxb s GLU 84 Ca 0.19 0.91 -0.10 0.00 0.36 0.00 0.00 54.97 56.33 2jxb s GLU 84 Cb -0.00 0.49 0.16 0.00 0.26 0.00 0.00 34.13 35.04 2jxb s GLU 84 CO 0.04 -0.71 1.13 -0.98 -0.54 0.00 0.00 175.26 174.21 2jxb s ARG 85 N 2.85 0.77 0.00 4.30 1.70 -1.26 -3.19 118.95 124.12 2jxb s ARG 85 Ca 0.19 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.92 2jxb s ARG 85 Cb -0.14 -1.70 0.00 0.00 -0.57 0.00 0.00 34.95 32.54 2jxb s ARG 85 CO -0.22 -2.78 0.00 1.63 -1.08 0.00 0.00 175.30 172.85