#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 -2.32 -3.99 1.57 0.00 -1.26 -5.01 117.12 106.11 2jxb n MET 2 Ca 0.00 1.53 -0.10 0.00 -0.00 0.00 0.00 57.70 59.13 2jxb n MET 2 Cb 0.00 -2.83 -0.07 0.00 0.00 0.00 0.00 33.22 30.32 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 -1.90 1.12 -0.08 2.12 -2.85 -1.26 -5.18 119.74 111.71 2jxb s LYS 3 Ca 0.00 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.97 53.46 2jxb s LYS 3 Cb 0.00 0.35 0.11 0.00 -2.06 0.00 0.00 37.83 36.23 2jxb s LYS 3 CO 0.00 -0.40 0.90 -2.00 0.10 0.00 0.00 175.35 173.95 2jxb s GLU 4 N -3.98 0.76 0.94 1.78 -6.30 -1.26 -5.16 118.70 105.48 2jxb s GLU 4 Ca 0.18 -0.04 -0.10 0.00 -2.50 0.00 0.00 54.97 52.51 2jxb s GLU 4 Cb 0.04 0.36 0.15 0.00 0.00 0.00 0.00 34.13 34.68 2jxb s GLU 4 CO 0.00 -0.28 1.08 0.54 0.02 0.00 0.00 175.26 176.62 2jxb n ARG 5 N 0.33 -0.61 -1.18 4.30 1.74 -1.26 -4.99 116.66 114.99 2jxb n ARG 5 Ca -0.11 -0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.57 2jxb n ARG 5 Cb 0.60 -2.32 0.16 0.00 -1.02 0.00 0.00 32.46 29.87 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 -4.54 0.74 0.97 5.56 0.04 -1.26 -5.04 135.00 131.47 2jxb s PRO 6 Ca 0.66 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 2jxb s PRO 6 Cb -0.23 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.72 2jxb s PRO 6 CO 0.59 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.93 2jxb s PRO 7 N -4.95 0.65 1.21 0.56 0.04 -1.26 -5.05 135.00 126.20 2jxb s PRO 7 Ca 0.65 0.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 2jxb s PRO 7 Cb -0.18 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.89 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 -4.95 -1.28 0.49 0.56 0.04 -1.26 -4.96 135.00 123.64 2jxb s PRO 8 Ca 0.65 -0.09 -0.22 0.00 0.04 0.00 0.00 61.00 61.37 2jxb s PRO 8 Cb -0.18 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.68 2jxb s PRO 8 CO 0.57 -3.74 1.03 1.33 0.04 0.00 0.00 177.00 176.24 2jxb n VAL 9 N -4.78 2.91 -1.40 -0.36 0.24 -1.26 -4.80 118.33 108.88 2jxb n VAL 9 Ca 0.13 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.55 2jxb n VAL 9 Cb 0.60 -1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 31.68 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 -0.30 1.46 -3.05 7.34 -0.04 -1.26 -4.53 135.00 134.61 2jxb n PRO 10 Ca 0.10 -2.00 -0.20 0.00 -0.04 0.00 0.00 63.50 61.36 2jxb n PRO 10 Cb 0.42 -3.15 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 9.72 -5.17 -4.75 3.54 6.94 -1.26 -4.83 115.26 119.46 2jxb n ASN 11 Ca 0.48 0.06 -0.41 0.00 -0.02 0.00 0.00 54.58 54.69 2jxb n ASN 11 Cb 0.42 -1.38 -0.03 0.00 -2.36 0.00 0.00 39.78 36.43 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 -1.61 4.43 -0.48 -0.53 0.04 -1.26 -4.95 135.00 130.63 2jxb s PRO 12 Ca 0.20 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.37 2jxb s PRO 12 Cb -0.02 -3.16 0.36 0.00 0.04 0.00 0.00 34.50 31.72 2jxb s PRO 12 CO 0.45 -0.15 0.90 -0.25 0.04 0.00 0.00 177.00 177.99 2jxb n ASP 13 N 1.91 3.21 -0.00 6.66 8.00 -1.26 -4.79 116.55 130.27 2jxb n ASP 13 Ca 0.03 -3.42 0.11 0.00 0.71 0.00 0.00 54.79 52.22 2jxb n ASP 13 Cb 0.43 -0.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.83 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxb n TYR 14 N -0.11 0.02 -3.84 1.24 0.18 -1.26 -4.77 117.16 108.63 2jxb n TYR 14 Ca 0.29 0.01 -0.34 0.00 1.88 0.00 0.00 57.90 59.73 2jxb n TYR 14 Cb 0.53 -0.29 -0.12 0.00 -0.38 0.00 0.00 39.34 39.08 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 -3.84 5.04 0.09 9.48 0.02 -1.26 -5.08 114.94 119.39 2jxb s ASN 15 Ca -0.00 -2.33 0.06 0.00 -1.02 0.00 0.00 52.86 49.57 2jxb s ASN 15 Cb 0.15 -1.77 -0.03 0.00 0.02 0.00 0.00 41.25 39.62 2jxb s ASN 15 CO 0.89 -0.44 -0.15 -0.44 0.02 0.00 0.00 177.10 176.98 2jxb s SER 16 N 1.16 1.90 0.00 -1.22 0.01 -1.26 -4.91 113.70 109.38 2jxb s SER 16 Ca 0.11 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2jxb s SER 16 Cb -0.22 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2jxb s SER 16 CO -0.04 -0.08 0.00 0.18 0.41 0.00 0.00 173.24 173.70 2jxb n LEU 17 N 1.00 0.00 -3.77 2.44 4.77 -1.26 -4.69 117.00 115.49 2jxb n LEU 17 Ca -0.19 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 2jxb n LEU 17 Cb 0.55 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2jxb n LEU 17 CO 0.23 0.00 0.69 -0.54 -1.33 0.00 0.00 177.39 176.45 2jxb s LYS 18 N 0.00 1.28 -0.92 3.23 1.02 -1.26 -5.10 119.74 118.00 2jxb s LYS 18 Ca 0.00 -0.72 -0.21 0.00 0.02 0.00 0.00 55.97 55.06 2jxb s LYS 18 Cb 0.00 0.43 0.08 0.00 -0.52 0.00 0.00 37.83 37.83 2jxb s LYS 18 CO 0.00 -0.59 1.24 0.21 -0.92 0.00 0.00 175.35 175.29 2jxb s LYS 19 N -3.31 3.50 0.00 1.68 2.20 -1.26 -4.63 119.74 117.92 2jxb s LYS 19 Ca 0.13 -1.29 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 2jxb s LYS 19 Cb -0.02 -4.94 0.00 0.00 -1.51 0.00 0.00 37.83 31.36 2jxb s LYS 19 CO 0.03 -1.97 0.00 0.41 -0.36 0.00 0.00 175.35 173.46 2jxb n GLY 20 N 5.99 -1.58 3.22 5.54 0.00 -1.26 -5.19 105.19 111.91 2jxb n GLY 20 Ca 0.22 0.69 -0.11 0.00 0.00 0.00 0.00 46.02 46.81 2jxb n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jxb s SER 21 N 0.00 0.16 -0.09 1.61 0.01 -1.26 -5.18 113.70 108.95 2jxb s SER 21 Ca 0.00 -1.31 -0.16 0.00 1.31 0.00 0.00 55.95 55.79 2jxb s SER 21 Cb 0.00 0.38 0.04 0.00 0.21 0.00 0.00 66.02 66.65 2jxb s SER 21 CO 0.00 -0.84 0.40 -0.76 0.41 0.00 0.00 173.24 172.44 2jxb s LEU 22 N -3.12 0.50 -0.24 2.44 1.02 -1.26 -5.17 118.68 112.84 2jxb s LEU 22 Ca 0.35 0.53 -0.28 0.00 0.02 0.00 0.00 54.13 54.75 2jxb s LEU 22 Cb 0.06 1.46 0.15 0.00 0.02 0.00 0.00 46.19 47.89 2jxb s LEU 22 CO 0.10 -0.30 1.17 0.54 0.02 0.00 0.00 176.35 177.88 2jxb s VAL 23 N -0.51 0.00 0.12 -1.59 0.11 -1.26 -5.08 120.40 112.20 2jxb s VAL 23 Ca -0.06 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2jxb s VAL 23 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2jxb s VAL 23 CO 0.03 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.09 2jxb n LYS 24 N 1.08 0.00 0.00 1.54 5.02 -1.26 -5.07 118.16 119.47 2jxb n LYS 24 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2jxb n LYS 24 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2jxb n LYS 24 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jxb n ASN 25 N -2.74 0.00 -2.81 4.39 3.02 -1.26 -4.79 115.26 111.07 2jxb n ASN 25 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 2jxb n ASN 25 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 2jxb n ASN 25 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2jxb n LEU 26 N 0.00 -7.83 0.00 3.41 0.00 -1.26 -5.00 117.00 106.33 2jxb n LEU 26 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 56.01 56.97 2jxb n LEU 26 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 43.42 40.10 2jxb n LEU 26 CO 0.00 -2.73 0.00 1.57 0.00 0.00 0.00 177.39 176.23 2jxb n HIS 27 N 0.22 -0.84 -1.78 1.96 -0.00 -1.26 -5.11 115.22 108.41 2jxb n HIS 27 Ca 0.06 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.84 2jxb n HIS 27 Cb 0.24 0.44 0.02 0.00 -0.12 0.00 0.00 29.99 30.58 2jxb n HIS 27 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2jxb s MET 28 N -1.89 3.54 0.13 1.57 -1.94 -1.26 -5.00 119.30 114.45 2jxb s MET 28 Ca 0.00 2.39 -0.06 0.00 -1.71 0.00 0.00 55.69 56.31 2jxb s MET 28 Cb 0.00 -2.55 -0.06 0.00 2.01 0.00 0.00 34.83 34.23 2jxb s MET 28 CO 0.00 -0.93 0.38 -0.08 -0.01 0.00 0.00 175.02 174.38 2jxb s THR 29 N -1.22 5.15 -0.29 2.05 -1.32 -1.26 -5.09 115.64 113.66 2jxb s THR 29 Ca 0.64 0.10 -0.28 0.00 -1.21 0.00 0.00 61.69 60.94 2jxb s THR 29 Cb -0.43 -3.62 0.19 0.00 -1.51 0.00 0.00 72.50 67.13 2jxb s THR 29 CO 0.55 0.08 1.40 -1.61 -2.21 0.00 0.00 174.62 172.82 2jxb s GLU 30 N -2.54 0.04 -0.48 7.08 0.41 -1.26 -5.09 118.70 116.85 2jxb s GLU 30 Ca 0.40 0.02 0.07 0.00 -0.41 0.00 0.00 54.97 55.05 2jxb s GLU 30 Cb -0.12 0.02 0.26 0.00 -1.78 0.00 0.00 34.13 32.50 2jxb s GLU 30 CO 0.23 -0.01 0.62 0.39 -0.49 0.00 0.00 175.26 176.01 2jxb n GLU 31 N 0.83 1.44 -4.17 1.61 1.02 -1.26 -5.05 120.64 115.06 2jxb n GLU 31 Ca -0.03 -3.78 -0.27 0.00 -0.02 0.00 0.00 57.16 53.06 2jxb n GLU 31 Cb 0.58 -1.63 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.81 3.96 -0.01 2.62 1.01 -1.26 -5.03 120.40 119.88 2jxb s VAL 32 Ca 0.37 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2jxb s VAL 32 Cb 0.18 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2jxb s VAL 32 CO -0.08 -0.10 0.01 -0.63 0.00 0.00 0.00 175.10 174.30 2jxb s ILE 33 N -1.73 0.01 0.47 2.22 1.01 -1.26 -0.10 121.20 121.82 2jxb s ILE 33 Ca 0.28 0.09 0.07 0.00 0.00 0.00 0.00 60.65 61.09 2jxb s ILE 33 Cb -0.10 -0.08 -0.00 0.00 0.01 0.00 0.00 42.46 42.29 2jxb s ILE 33 CO 0.20 0.06 0.34 0.54 0.00 0.00 0.00 174.94 176.08 2jxb s VAL 34 N 0.56 2.17 -0.03 2.92 0.11 -0.93 -4.18 120.40 121.02 2jxb s VAL 34 Ca -0.05 -1.49 0.01 0.00 -2.93 0.00 0.00 61.98 57.52 2jxb s VAL 34 Cb -0.07 -2.66 0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2jxb s VAL 34 CO -0.01 0.00 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.12 2jxb s ILE 35 N -2.62 0.25 -0.27 7.04 1.01 -1.04 -2.37 121.20 123.20 2jxb s ILE 35 Ca 0.41 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.81 2jxb s ILE 35 Cb -0.01 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.14 2jxb s ILE 35 CO 0.24 0.16 1.22 0.00 0.00 0.00 0.00 174.94 176.56 2jxb s ALA 36 N 0.97 3.49 0.27 9.38 0.00 0.77 0.05 121.76 136.69 2jxb s ALA 36 Ca -0.10 0.16 0.18 0.00 0.00 0.00 0.00 51.96 52.19 2jxb s ALA 36 Cb -0.14 -3.70 0.80 0.00 0.00 0.00 0.00 23.12 20.08 2jxb s ALA 36 CO -0.01 -1.51 1.81 0.87 0.00 0.00 0.00 175.76 176.92 2jxb h LYS 37 N 8.61 0.00 0.00 0.00 1.57 -1.52 -1.96 116.57 123.27 2jxb h LYS 37 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2jxb h LYS 37 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2jxb h LYS 37 CO 1.01 0.35 0.00 0.91 -0.57 0.00 0.00 179.45 181.15 2jxb n TRP 38 N -3.71 -0.13 -3.93 -1.35 7.02 -1.21 -4.62 117.44 109.52 2jxb n TRP 38 Ca -0.01 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.12 2jxb n TRP 38 Cb 0.44 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.20 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 4.75 -0.05 -0.99 -4.77 -1.26 -2.62 116.67 110.99 2jxb s ASP 39 Ca 0.00 -0.26 0.04 0.00 -3.30 0.00 0.00 52.55 49.03 2jxb s ASP 39 Cb 0.00 -1.83 -0.00 0.00 -1.09 0.00 0.00 42.92 40.00 2jxb s ASP 39 CO 0.00 0.01 -0.18 -0.47 0.70 0.00 0.00 175.17 175.23 2jxb s TYR 40 N 1.34 1.76 -0.17 2.11 5.04 0.94 -4.91 117.35 123.46 2jxb s TYR 40 Ca 0.04 -0.52 -0.10 0.00 -2.44 0.00 0.00 57.07 54.06 2jxb s TYR 40 Cb -0.15 -1.19 -0.05 0.00 0.35 0.00 0.00 41.96 40.93 2jxb s TYR 40 CO 0.01 -0.18 0.15 -0.08 -1.34 0.00 0.00 175.55 174.11 2jxb s THR 41 N 0.06 5.42 0.04 4.34 -1.32 -1.26 -0.27 115.64 122.65 2jxb s THR 41 Ca -0.05 0.23 -0.34 0.00 -1.21 0.00 0.00 61.69 60.32 2jxb s THR 41 Cb -0.12 -3.47 -0.13 0.00 -1.51 0.00 0.00 72.50 67.28 2jxb s THR 41 CO 0.02 0.48 1.74 0.00 -2.21 0.00 0.00 174.62 174.66 2jxb n ALA 42 N 3.11 1.18 -0.09 11.08 0.00 -1.24 -4.88 120.51 129.68 2jxb n ALA 42 Ca -0.17 0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 2jxb n ALA 42 Cb 0.53 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.42 2jxb n ALA 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jxb n GLN 43 N 5.12 0.62 -0.85 0.00 3.00 -1.26 -4.94 117.38 119.07 2jxb n GLN 43 Ca 0.20 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 2jxb n GLN 43 Cb 0.30 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 28.87 2jxb n GLN 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2jxb n GLN 44 N -4.08 1.12 0.05 -1.09 1.13 -1.26 -5.01 117.38 108.23 2jxb n GLN 44 Ca -0.38 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.80 2jxb n GLN 44 Cb 0.83 0.00 0.23 0.00 0.11 0.00 0.00 30.24 31.41 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 -2.72 0.65 0.01 1.08 8.00 -1.26 -3.77 116.55 118.54 2jxb n ASP 45 Ca 0.00 0.13 0.06 0.00 0.71 0.00 0.00 54.79 55.69 2jxb n ASP 45 Cb 0.00 0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.03 2jxb n ASP 45 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2jxb n GLN 46 N -2.01 0.65 -1.68 -1.24 -0.06 -1.26 -4.96 117.38 106.82 2jxb n GLN 46 Ca 0.04 -0.04 -0.31 0.00 -2.00 0.00 0.00 57.00 54.69 2jxb n GLN 46 Cb 0.42 -1.63 0.05 0.00 -4.06 0.00 0.00 30.24 25.02 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 -3.24 2.94 0.11 3.69 0.41 -1.25 -0.93 118.70 120.44 2jxb s GLU 47 Ca -0.06 0.79 0.08 0.00 -0.41 0.00 0.00 54.97 55.37 2jxb s GLU 47 Cb 0.11 -2.00 -0.04 0.00 -1.78 0.00 0.00 34.13 30.42 2jxb s GLU 47 CO 0.86 -1.05 -0.19 -1.17 -0.49 0.00 0.00 175.26 173.22 2jxb s LEU 48 N -5.48 2.34 -0.16 1.80 0.20 -0.57 -4.53 118.68 112.29 2jxb s LEU 48 Ca 0.58 -0.73 -0.17 0.00 0.69 0.00 0.00 54.13 54.50 2jxb s LEU 48 Cb -0.13 -0.79 -0.04 0.00 -0.43 0.00 0.00 46.19 44.80 2jxb s LEU 48 CO 0.54 0.00 0.45 -0.62 -0.29 0.00 0.00 176.35 176.43 2jxb s ASP 49 N -2.11 6.58 0.02 3.68 -1.08 -1.26 -3.61 116.67 118.89 2jxb s ASP 49 Ca 0.08 0.69 0.03 0.00 -0.52 0.00 0.00 52.55 52.82 2jxb s ASP 49 Cb -0.09 -2.26 -0.02 0.00 -1.46 0.00 0.00 42.92 39.09 2jxb s ASP 49 CO 0.04 -0.04 -0.08 0.27 0.52 0.00 0.00 175.17 175.88 2jxb s ILE 50 N 0.93 0.63 0.09 4.11 -4.36 0.63 -4.92 121.20 118.31 2jxb s ILE 50 Ca 0.23 -0.76 0.05 0.00 -0.26 0.00 0.00 60.65 59.91 2jxb s ILE 50 Cb -0.15 -0.61 -0.04 0.00 1.25 0.00 0.00 42.46 42.91 2jxb s ILE 50 CO 0.09 -0.11 0.01 -0.54 0.24 0.00 0.00 174.94 174.63 2jxb s LYS 51 N -0.96 2.59 0.66 0.37 1.02 -1.26 -0.04 119.74 122.13 2jxb s LYS 51 Ca -0.03 -0.83 -0.17 0.00 0.02 0.00 0.00 55.97 54.95 2jxb s LYS 51 Cb -0.07 -2.56 -0.13 0.00 -0.52 0.00 0.00 37.83 34.56 2jxb s LYS 51 CO 0.00 0.54 -0.15 0.36 -0.92 0.00 0.00 175.35 175.19 2jxb n LYS 52 N 0.50 0.07 -3.71 1.68 -0.00 -1.08 -2.84 118.16 112.78 2jxb n LYS 52 Ca -0.10 0.03 -0.28 0.00 -0.00 0.00 0.00 58.31 57.96 2jxb n LYS 52 Cb 0.52 -1.17 0.03 0.00 -0.00 0.00 0.00 35.03 34.41 2jxb n LYS 52 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jxb n ASN 53 N 2.17 -3.95 -4.04 -5.58 2.85 -0.74 -4.95 115.26 101.02 2jxb n ASN 53 Ca 0.06 -0.98 -0.24 0.00 -0.11 0.00 0.00 54.58 53.31 2jxb n ASN 53 Cb 0.50 -3.49 -0.16 0.00 1.24 0.00 0.00 39.78 37.86 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 -6.01 1.64 0.03 1.20 2.12 -1.13 -4.94 118.70 111.61 2jxb s GLU 54 Ca 0.33 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 55.25 2jxb s GLU 54 Cb -0.11 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.86 2jxb s GLU 54 CO 0.85 0.07 -0.00 -0.98 -0.54 0.00 0.00 175.26 174.66 2jxb s ARG 55 N 0.51 2.68 0.32 4.30 1.70 -1.26 -0.16 118.95 127.04 2jxb s ARG 55 Ca -0.12 -0.70 -0.02 0.00 -0.47 0.00 0.00 55.73 54.42 2jxb s ARG 55 Cb -0.14 -2.61 -0.01 0.00 -0.57 0.00 0.00 34.95 31.62 2jxb s ARG 55 CO 0.03 0.59 0.41 -0.51 -1.08 0.00 0.00 175.30 174.75 2jxb s LEU 56 N -1.83 1.06 -0.37 -1.89 1.02 -1.00 -4.89 118.68 110.79 2jxb s LEU 56 Ca 0.22 -1.46 -0.19 0.00 0.02 0.00 0.00 54.13 52.72 2jxb s LEU 56 Cb -0.12 1.26 0.00 0.00 0.02 0.00 0.00 46.19 47.36 2jxb s LEU 56 CO 0.13 -1.20 0.57 0.26 0.02 0.00 0.00 176.35 176.12 2jxb s TRP 57 N -3.32 3.15 -0.03 0.29 0.51 -0.08 -2.18 118.94 117.28 2jxb s TRP 57 Ca 0.32 0.17 -0.30 0.00 -2.12 0.00 0.00 56.10 54.17 2jxb s TRP 57 Cb 0.01 -3.05 -0.06 0.00 -0.81 0.00 0.00 33.47 29.56 2jxb s TRP 57 CO 0.19 -0.62 1.66 -0.51 -0.51 0.00 0.00 176.95 177.16 2jxb s LEU 58 N 2.54 4.34 0.00 2.99 1.43 0.85 -1.02 118.68 129.81 2jxb s LEU 58 Ca 0.21 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 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 0.15 -0.91 0.00 0.18 0.23 0.00 0.00 176.35 175.99 2jxb n LEU 59 N 6.82 0.09 -3.71 1.79 4.77 0.14 -4.38 117.00 122.51 2jxb n LEU 59 Ca 0.17 0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.95 2jxb n LEU 59 Cb 0.42 -0.42 -0.17 0.00 -2.33 0.00 0.00 43.42 40.93 2jxb n LEU 59 CO 0.63 -0.42 -0.36 -1.81 -1.33 0.00 0.00 177.39 174.10 2jxb s ASP 60 N -3.35 2.65 -0.69 -1.43 1.01 -1.10 -5.00 116.67 108.75 2jxb s ASP 60 Ca 0.00 -0.70 0.05 0.00 0.71 0.00 0.00 52.55 52.61 2jxb s ASP 60 Cb 0.00 -0.51 0.18 0.00 1.01 0.00 0.00 42.92 43.60 2jxb s ASP 60 CO 0.00 -0.30 0.53 -0.90 0.21 0.00 0.00 175.17 174.70 2jxb n ASP 61 N 5.11 3.05 -0.07 0.27 5.68 -1.26 -2.17 116.55 127.16 2jxb n ASP 61 Ca -0.08 -3.23 -0.15 0.00 -0.50 0.00 0.00 54.79 50.83 2jxb n ASP 61 Cb 0.48 -0.74 -0.05 0.00 -1.14 0.00 0.00 41.12 39.66 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 1.82 1.03 -4.51 -1.12 7.64 -1.26 -5.04 113.62 112.18 2jxb n SER 62 Ca 0.21 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 60.00 2jxb n SER 62 Cb 0.36 -0.40 0.13 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.25 1.36 0.35 1.43 1.02 -1.26 -4.95 119.74 115.43 2jxb s LYS 63 Ca -0.19 -0.85 0.14 0.00 0.02 0.00 0.00 55.97 55.08 2jxb s LYS 63 Cb 0.07 -2.17 1.01 0.00 -0.52 0.00 0.00 37.83 36.23 2jxb s LYS 63 CO 0.24 -1.76 1.72 0.00 -0.92 0.00 0.00 175.35 174.64 2jxb h THR 64 N -0.89 0.46 -3.02 2.17 1.03 -1.93 -3.38 112.91 107.34 2jxb h THR 64 Ca -0.39 -0.16 -0.61 0.00 -0.01 0.00 0.00 66.41 65.24 2jxb h THR 64 Cb 1.26 -0.04 -0.06 0.00 -1.07 0.00 0.00 68.15 68.23 2jxb h THR 64 CO 0.40 0.08 -0.26 0.26 -0.01 0.00 0.00 175.52 176.00 2jxb s TRP 65 N -5.66 3.65 0.19 0.00 0.52 -1.26 -2.44 118.94 113.94 2jxb s TRP 65 Ca -0.10 0.86 0.08 0.00 0.02 0.00 0.00 56.10 56.96 2jxb s TRP 65 Cb 0.28 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2jxb s TRP 65 CO 0.80 0.57 -0.02 -1.58 0.02 0.00 0.00 176.95 176.73 2jxb s TRP 66 N -0.72 2.78 -0.14 -1.98 0.51 -0.48 -4.51 118.94 114.40 2jxb s TRP 66 Ca 0.21 -0.17 0.02 0.00 -2.12 0.00 0.00 56.10 54.04 2jxb s TRP 66 Cb -0.15 -1.33 0.00 0.00 -0.81 0.00 0.00 33.47 31.18 2jxb s TRP 66 CO 0.10 0.53 -0.19 0.50 -0.51 0.00 0.00 176.95 177.38 2jxb s ARG 67 N -3.04 3.12 0.32 4.98 3.52 -0.92 -1.78 118.95 125.14 2jxb s ARG 67 Ca 0.28 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 2jxb s ARG 67 Cb -0.09 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 2jxb s ARG 67 CO 0.18 0.05 0.12 0.14 -0.81 0.00 0.00 175.30 174.98 2jxb s VAL 68 N 0.69 0.59 0.01 7.11 -7.23 -1.21 0.25 120.40 120.61 2jxb s VAL 68 Ca -0.09 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.13 2jxb s VAL 68 Cb -0.16 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2jxb s VAL 68 CO 0.01 0.00 -0.15 -0.60 -0.31 0.00 0.00 175.10 174.05 2jxb s ARG 69 N -3.86 1.15 0.55 4.82 3.52 -0.19 -2.89 118.95 122.05 2jxb s ARG 69 Ca 0.34 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 2jxb s ARG 69 Cb 0.06 -1.15 0.10 0.00 -1.56 0.00 0.00 34.95 32.41 2jxb s ARG 69 CO 0.16 0.30 0.75 0.27 -0.81 0.00 0.00 175.30 175.97 2jxb n ASN 70 N 2.39 1.33 0.09 -2.12 6.94 -0.78 -0.91 115.26 122.20 2jxb n ASN 70 Ca -0.16 -2.05 0.10 0.00 -0.02 0.00 0.00 54.58 52.45 2jxb n ASN 70 Cb 0.55 -0.46 0.42 0.00 -2.36 0.00 0.00 39.78 37.93 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jxb n ALA 71 N -2.75 1.58 1.19 -2.53 0.00 -1.26 -1.94 120.51 114.81 2jxb n ALA 71 Ca -0.13 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.40 2jxb n ALA 71 Cb 0.48 -1.32 0.11 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.67 2.47 -1.23 0.00 0.00 -1.26 -4.86 120.51 113.95 2jxb n ALA 72 Ca 0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 2jxb n ALA 72 Cb 0.19 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 0.24 -5.11 -4.84 0.00 4.13 -0.82 -4.97 115.26 103.89 2jxb n ASN 73 Ca 0.08 0.19 -0.36 0.00 1.68 0.00 0.00 54.58 56.18 2jxb n ASN 73 Cb 0.22 -3.30 -0.06 0.00 -1.54 0.00 0.00 39.78 35.10 2jxb n ASN 73 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2jxb s ARG 74 N -2.42 3.95 -0.06 3.52 6.06 -1.26 -4.90 118.95 123.85 2jxb s ARG 74 Ca 0.00 0.45 0.04 0.00 -2.50 0.00 0.00 55.73 53.72 2jxb s ARG 74 Cb 0.00 -3.00 0.00 0.00 0.06 0.00 0.00 34.95 32.01 2jxb s ARG 74 CO 0.00 0.53 -0.18 0.95 -2.50 0.00 0.00 175.30 174.10 2jxb s THR 75 N -1.39 1.53 0.01 4.11 -4.23 -1.26 -1.86 115.64 112.55 2jxb s THR 75 Ca 0.35 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2jxb s THR 75 Cb -0.15 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.36 2jxb s THR 75 CO 0.18 0.44 0.02 0.61 -0.54 0.00 0.00 174.62 175.33 2jxb n GLY 76 N 3.33 3.16 3.54 3.99 0.00 -1.14 -4.97 105.19 113.10 2jxb n GLY 76 Ca -0.19 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -4.80 2.63 -0.07 1.61 2.02 -0.10 -3.30 117.35 115.33 2jxb s TYR 77 Ca 0.01 -0.22 -0.22 0.00 -0.37 0.00 0.00 57.07 56.28 2jxb s TYR 77 Cb -0.00 -1.36 0.05 0.00 -0.40 0.00 0.00 41.96 40.24 2jxb s TYR 77 CO 0.01 0.43 0.50 0.14 -1.57 0.00 0.00 175.55 175.06 2jxb s VAL 78 N -1.29 0.02 -0.01 0.71 -7.23 -0.73 -1.51 120.40 110.36 2jxb s VAL 78 Ca 0.21 -0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.89 2jxb s VAL 78 Cb -0.10 -0.79 -0.06 0.00 0.56 0.00 0.00 36.38 35.99 2jxb s VAL 78 CO 0.12 -0.10 1.46 -2.16 -0.31 0.00 0.00 175.10 174.11 2jxb s PRO 79 N -0.86 4.25 0.52 4.82 0.04 -1.26 -1.38 135.00 141.12 2jxb s PRO 79 Ca -0.09 2.02 0.35 0.00 0.04 0.00 0.00 61.00 63.32 2jxb s PRO 79 Cb -0.03 -3.64 1.87 0.00 0.04 0.00 0.00 34.50 32.74 2jxb s PRO 79 CO 0.05 -0.64 2.06 1.03 0.04 0.00 0.00 177.00 179.55 2jxb h SER 80 N 8.14 0.00 0.63 6.66 0.87 -1.80 -0.51 113.55 127.54 2jxb h SER 80 Ca -0.38 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.07 2jxb h SER 80 Cb 1.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2jxb h SER 80 CO 0.92 0.00 -0.52 0.78 -0.53 0.00 0.00 176.83 177.48 2jxb h ASN 81 N 0.00 0.00 -0.28 6.23 4.21 -1.90 -2.78 115.58 121.07 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 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 2jxb h ASN 81 CO 0.00 0.52 0.00 -1.22 -1.29 0.00 0.00 177.43 175.44 2jxb n TYR 82 N -3.78 0.35 -4.28 1.19 4.02 -0.21 -4.93 117.16 109.51 2jxb n TYR 82 Ca -0.01 -0.17 -0.17 0.00 -0.01 0.00 0.00 57.90 57.54 2jxb n TYR 82 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.77 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 -1.65 1.39 -0.30 -0.72 0.11 -1.05 -1.33 120.40 116.85 2jxb s VAL 83 Ca 0.36 -2.02 -0.08 0.00 -2.93 0.00 0.00 61.98 57.31 2jxb s VAL 83 Cb 0.21 -1.83 0.15 0.00 -1.53 0.00 0.00 36.38 33.38 2jxb s VAL 83 CO 0.30 -0.61 0.66 -0.70 -3.33 0.00 0.00 175.10 171.43 2jxb s GLU 84 N -3.43 0.56 0.82 1.54 -6.30 0.11 -4.81 118.70 107.18 2jxb s GLU 84 Ca 0.16 1.29 -0.11 0.00 -2.50 0.00 0.00 54.97 53.82 2jxb s GLU 84 Cb -0.00 0.77 0.09 0.00 0.00 0.00 0.00 34.13 34.98 2jxb s GLU 84 CO 0.03 -0.30 1.10 -0.98 0.02 0.00 0.00 175.26 175.13 2jxb s ARG 85 N 2.87 1.83 0.00 4.30 1.04 -1.26 -2.48 118.95 125.23 2jxb s ARG 85 Ca 0.01 1.15 0.00 0.00 -1.04 0.00 0.00 55.73 55.85 2jxb s ARG 85 Cb -0.12 -1.85 0.00 0.00 -2.04 0.00 0.00 34.95 30.94 2jxb s ARG 85 CO -0.19 -1.94 0.00 1.63 -0.04 0.00 0.00 175.30 174.76