#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 -6.05 -3.91 -0.41 0.00 -1.26 -5.01 117.12 100.48 2jxb n MET 2 Ca 0.00 0.76 -0.26 0.00 0.00 0.00 0.00 57.70 58.19 2jxb n MET 2 Cb 0.00 -5.61 -0.01 0.00 0.00 0.00 0.00 33.22 27.60 2jxb n MET 2 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 2jxb n LYS 3 N -4.25 0.74 -2.22 0.03 2.85 -1.26 -5.07 118.16 108.98 2jxb n LYS 3 Ca -0.27 -3.34 0.02 0.00 -1.05 0.00 0.00 58.31 53.67 2jxb n LYS 3 Cb 0.66 0.49 0.04 0.00 -0.65 0.00 0.00 35.03 35.57 2jxb n LYS 3 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2jxb n GLU 4 N -1.61 0.97 -4.12 -1.58 0.00 -1.26 -5.10 120.64 107.94 2jxb n GLU 4 Ca -0.06 -2.84 -0.22 0.00 0.00 0.00 0.00 57.16 54.04 2jxb n GLU 4 Cb 0.60 -0.90 -0.05 0.00 0.00 0.00 0.00 31.44 31.09 2jxb n GLU 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2jxb s ARG 5 N -2.11 2.77 0.96 5.31 3.00 -1.26 -5.12 118.95 122.49 2jxb s ARG 5 Ca 0.30 -1.16 -0.12 0.00 0.00 0.00 0.00 55.73 54.75 2jxb s ARG 5 Cb 0.35 -2.47 0.16 0.00 0.00 0.00 0.00 34.95 33.00 2jxb s ARG 5 CO -0.10 0.36 1.09 -1.25 0.00 0.00 0.00 175.30 175.40 2jxb s PRO 6 N -3.82 0.76 0.97 3.54 0.04 -1.26 -5.04 135.00 130.19 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 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.87 2jxb s PRO 6 CO 0.24 -2.53 1.09 -1.25 0.04 0.00 0.00 177.00 174.59 2jxb s PRO 7 N -4.96 0.65 0.90 0.56 0.04 -1.26 -5.05 135.00 125.88 2jxb s PRO 7 Ca 0.65 0.60 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 2jxb s PRO 7 Cb -0.18 -1.76 0.22 0.00 0.04 0.00 0.00 34.50 32.82 2jxb s PRO 7 CO 0.57 -2.60 0.80 -0.35 0.04 0.00 0.00 177.00 175.46 2jxb n PRO 8 N -4.10 -2.57 -1.69 0.56 -0.04 -1.26 -4.96 135.00 120.95 2jxb n PRO 8 Ca 0.06 -1.28 -0.40 0.00 -0.04 0.00 0.00 63.50 61.84 2jxb n PRO 8 Cb 0.57 -1.20 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -4.23 2.92 -1.38 0.52 0.24 -1.26 -4.82 118.33 110.32 2jxb n VAL 9 Ca 0.11 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.52 2jxb n VAL 9 Cb 0.43 -1.48 -0.06 0.00 -1.47 0.00 0.00 33.84 31.26 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 -0.27 1.45 -3.09 7.34 -0.04 -1.26 -4.53 135.00 134.60 2jxb n PRO 10 Ca 0.09 -1.98 -0.21 0.00 -0.04 0.00 0.00 63.50 61.36 2jxb n PRO 10 Cb 0.41 -3.13 0.02 0.00 -0.04 0.00 0.00 33.50 30.76 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 9.59 -5.25 -4.75 3.54 6.94 -1.26 -4.83 115.26 119.24 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 -1.40 -0.03 0.00 -2.36 0.00 0.00 39.78 36.41 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 -1.64 4.42 -0.28 -0.53 0.04 -1.26 -4.95 135.00 130.79 2jxb s PRO 12 Ca 0.20 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.45 2jxb s PRO 12 Cb -0.02 -3.17 0.49 0.00 0.04 0.00 0.00 34.50 31.83 2jxb s PRO 12 CO 0.46 -0.17 1.13 -3.47 0.04 0.00 0.00 177.00 174.98 2jxb n ASP 13 N 2.08 2.85 0.22 6.66 2.03 -1.26 -4.82 116.55 124.32 2jxb n ASP 13 Ca 0.04 -2.73 0.14 0.00 0.52 0.00 0.00 54.79 52.76 2jxb n ASP 13 Cb 0.43 -0.43 0.44 0.00 -0.72 0.00 0.00 41.12 40.83 2jxb n ASP 13 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2jxb h TYR 14 N 2.48 0.00 -4.61 -0.67 -0.00 -2.02 -3.49 116.97 108.67 2jxb h TYR 14 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.79 2jxb h TYR 14 Cb 1.34 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 38.00 2jxb h TYR 14 CO 0.63 0.00 -1.22 0.09 -0.00 0.00 0.00 178.16 177.67 2jxb n ASN 15 N -2.93 -3.53 -4.54 0.10 5.03 -1.26 -4.84 115.26 103.28 2jxb n ASN 15 Ca 0.03 1.36 -0.41 0.00 0.87 0.00 0.00 54.58 56.42 2jxb n ASN 15 Cb 0.40 -4.74 -0.03 0.00 -1.02 0.00 0.00 39.78 34.39 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 -0.56 6.19 0.57 6.41 0.15 -1.26 -5.01 113.70 120.19 2jxb s SER 16 Ca -0.16 -0.60 -0.11 0.00 0.70 0.00 0.00 55.95 55.78 2jxb s SER 16 Cb 0.01 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2jxb s SER 16 CO 0.44 -1.76 0.97 -0.76 1.20 0.00 0.00 173.24 173.32 2jxb s LEU 17 N 5.46 3.39 -0.42 3.45 1.02 -1.26 -5.04 118.68 125.28 2jxb s LEU 17 Ca 0.34 1.35 -0.12 0.00 0.02 0.00 0.00 54.13 55.71 2jxb s LEU 17 Cb -0.08 -4.35 0.05 0.00 0.02 0.00 0.00 46.19 41.83 2jxb s LEU 17 CO 0.12 -0.75 0.29 -0.54 0.02 0.00 0.00 176.35 175.50 2jxb s LYS 18 N -4.85 2.83 -0.55 1.70 1.02 -1.26 -4.67 119.74 113.95 2jxb s LYS 18 Ca 0.54 -1.26 -0.08 0.00 0.02 0.00 0.00 55.97 55.20 2jxb s LYS 18 Cb -0.11 -3.90 0.01 0.00 -0.52 0.00 0.00 37.83 33.32 2jxb s LYS 18 CO 0.48 -0.87 0.62 1.63 -0.92 0.00 0.00 175.35 176.28 2jxb n LYS 19 N 5.06 -1.76 0.00 1.68 4.01 -1.26 -4.99 118.16 120.89 2jxb n LYS 19 Ca -0.11 1.75 0.00 0.00 -0.51 0.00 0.00 58.31 59.43 2jxb n LYS 19 Cb 0.45 -5.51 0.00 0.00 -0.51 0.00 0.00 35.03 29.46 2jxb n LYS 19 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jxb n GLY 20 N -1.02 -0.85 5.26 0.72 0.00 -1.26 -5.05 105.19 102.99 2jxb n GLY 20 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.81 0.00 -2.78 1.61 7.64 -1.26 -4.81 113.62 112.21 2jxb n SER 21 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2jxb n SER 21 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.00 -7.09 -3.50 -3.43 4.77 -1.26 -5.02 117.00 101.47 2jxb n LEU 22 Ca 0.00 1.42 -0.29 0.00 -0.03 0.00 0.00 56.01 57.11 2jxb n LEU 22 Cb 0.00 -3.06 -0.13 0.00 -2.33 0.00 0.00 43.42 37.89 2jxb n LEU 22 CO 0.00 -3.10 -0.32 -0.69 -1.33 0.00 0.00 177.39 171.94 2jxb s VAL 23 N -1.37 0.05 -0.29 4.08 1.01 -1.26 -5.07 120.40 117.54 2jxb s VAL 23 Ca -0.04 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.66 2jxb s VAL 23 Cb 0.00 -1.06 0.15 0.00 0.00 0.00 0.00 36.38 35.47 2jxb s VAL 23 CO 0.66 -0.87 0.34 -0.54 0.00 0.00 0.00 175.10 174.70 2jxb s LYS 24 N 1.54 0.37 0.31 2.72 1.02 -1.26 -5.14 119.74 119.30 2jxb s LYS 24 Ca 0.14 -0.06 -0.15 0.00 0.02 0.00 0.00 55.97 55.92 2jxb s LYS 24 Cb -0.20 -0.51 0.02 0.00 -0.52 0.00 0.00 37.83 36.62 2jxb s LYS 24 CO -0.16 -1.04 0.66 0.54 -0.92 0.00 0.00 175.35 174.43 2jxb s ASN 25 N 2.40 0.01 -0.29 2.83 2.20 -1.26 -5.17 114.94 115.66 2jxb s ASN 25 Ca 0.10 -0.96 -0.14 0.00 -0.94 0.00 0.00 52.86 50.92 2jxb s ASN 25 Cb -0.13 0.73 0.14 0.00 -2.00 0.00 0.00 41.25 39.98 2jxb s ASN 25 CO -0.31 -1.40 0.86 -0.22 -2.94 0.00 0.00 177.10 173.09 2jxb s LEU 26 N -3.03 -0.75 0.14 3.54 2.96 -1.26 -5.18 118.68 115.10 2jxb s LEU 26 Ca 0.17 1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 2jxb s LEU 26 Cb -0.04 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.57 2jxb s LEU 26 CO 0.10 -0.16 0.13 -1.00 -1.32 0.00 0.00 176.35 174.10 2jxb s HIS 27 N 2.13 0.73 -0.40 5.38 3.76 -1.26 -5.10 115.29 120.53 2jxb s HIS 27 Ca -0.06 -1.09 0.10 0.00 -0.15 0.00 0.00 55.06 53.85 2jxb s HIS 27 Cb -0.07 -0.35 0.34 0.00 1.11 0.00 0.00 32.58 33.62 2jxb s HIS 27 CO -0.18 -0.59 0.90 -0.12 -0.85 0.00 0.00 174.74 173.91 2jxb n MET 28 N -0.14 1.00 -3.65 1.40 1.56 -1.26 -5.11 117.12 110.92 2jxb n MET 28 Ca -0.06 -2.79 -0.15 0.00 -0.27 0.00 0.00 57.70 54.43 2jxb n MET 28 Cb 0.64 -1.39 -0.07 0.00 2.15 0.00 0.00 33.22 34.54 2jxb n MET 28 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 2jxb s THR 29 N -1.39 0.04 0.43 1.12 -1.32 -1.26 -5.13 115.64 108.14 2jxb s THR 29 Ca 0.32 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 2jxb s THR 29 Cb 0.33 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 2jxb s THR 29 CO -0.06 -0.17 0.00 -0.62 -2.21 0.00 0.00 174.62 171.55 2jxb n GLU 30 N 0.90 -3.33 -3.09 7.08 -0.58 -1.26 -5.00 120.64 115.36 2jxb n GLU 30 Ca -0.20 2.54 -0.10 0.00 -0.42 0.00 0.00 57.16 58.98 2jxb n GLU 30 Cb 0.58 -3.03 -0.03 0.00 -0.57 0.00 0.00 31.44 28.38 2jxb n GLU 30 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2jxb s GLU 31 N -4.71 0.91 0.20 3.49 1.03 -1.26 -5.13 118.70 113.23 2jxb s GLU 31 Ca 0.00 -1.09 0.05 0.00 0.03 0.00 0.00 54.97 53.95 2jxb s GLU 31 Cb 0.00 -0.43 -0.03 0.00 -0.80 0.00 0.00 34.13 32.87 2jxb s GLU 31 CO 0.00 -1.29 0.28 0.08 -1.33 0.00 0.00 175.26 173.00 2jxb s VAL 32 N 1.00 5.05 -0.01 1.83 1.01 -1.26 -5.01 120.40 123.01 2jxb s VAL 32 Ca 0.25 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2jxb s VAL 32 Cb -0.03 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2jxb s VAL 32 CO -0.08 -0.23 -0.00 -0.63 0.00 0.00 0.00 175.10 174.16 2jxb s ILE 33 N -1.90 0.11 0.49 2.22 1.01 -1.26 0.06 121.20 121.93 2jxb s ILE 33 Ca 0.34 0.04 0.07 0.00 0.00 0.00 0.00 60.65 61.09 2jxb s ILE 33 Cb -0.10 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.22 2jxb s ILE 33 CO 0.27 0.08 0.38 0.54 0.00 0.00 0.00 174.94 176.22 2jxb s VAL 34 N 0.54 2.06 -0.04 2.92 0.11 -0.94 -4.10 120.40 120.96 2jxb s VAL 34 Ca -0.05 -1.46 -0.01 0.00 -2.93 0.00 0.00 61.98 57.53 2jxb s VAL 34 Cb -0.08 -2.52 0.03 0.00 -1.53 0.00 0.00 36.38 32.29 2jxb s VAL 34 CO -0.01 0.00 0.03 -0.63 -3.33 0.00 0.00 175.10 171.16 2jxb s ILE 35 N -2.66 0.01 -0.38 7.04 1.01 -1.18 -2.44 121.20 122.60 2jxb s ILE 35 Ca 0.40 0.27 -0.28 0.00 0.00 0.00 0.00 60.65 61.04 2jxb s ILE 35 Cb -0.02 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 2jxb s ILE 35 CO 0.24 0.16 1.64 0.00 0.00 0.00 0.00 174.94 176.98 2jxb s ALA 36 N 1.64 2.91 0.45 9.38 0.00 0.85 0.05 121.76 137.04 2jxb s ALA 36 Ca -0.02 0.04 0.20 0.00 0.00 0.00 0.00 51.96 52.19 2jxb s ALA 36 Cb -0.13 -4.00 1.17 0.00 0.00 0.00 0.00 23.12 20.17 2jxb s ALA 36 CO -0.03 -2.60 1.89 0.87 0.00 0.00 0.00 175.76 175.90 2jxb h LYS 37 N 12.08 0.29 0.00 0.00 1.57 -0.99 -2.45 116.57 127.06 2jxb h LYS 37 Ca -0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2jxb h LYS 37 Cb 1.14 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2jxb h LYS 37 CO 1.06 0.19 0.00 0.91 -0.57 0.00 0.00 179.45 181.04 2jxb n TRP 38 N -4.45 -0.12 -3.99 -1.35 7.02 -1.20 -4.58 117.44 108.77 2jxb n TRP 38 Ca 0.17 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.29 2jxb n TRP 38 Cb 0.68 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.45 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 -0.73 5.10 0.26 -0.99 1.47 -1.26 -3.35 116.67 117.16 2jxb s ASP 39 Ca 0.00 -0.14 0.06 0.00 1.18 0.00 0.00 52.55 53.66 2jxb s ASP 39 Cb 0.00 -1.88 -0.06 0.00 -0.34 0.00 0.00 42.92 40.64 2jxb s ASP 39 CO 0.00 0.06 -0.07 -0.47 0.68 0.00 0.00 175.17 175.38 2jxb s TYR 40 N 1.02 1.87 -0.10 2.11 5.04 0.11 -4.92 117.35 122.47 2jxb s TYR 40 Ca 0.03 -0.70 0.03 0.00 -2.44 0.00 0.00 57.07 53.99 2jxb s TYR 40 Cb -0.14 -1.04 -0.01 0.00 0.35 0.00 0.00 41.96 41.12 2jxb s TYR 40 CO 0.02 0.26 -0.20 -0.08 -1.34 0.00 0.00 175.55 174.22 2jxb s THR 41 N -3.05 2.48 0.20 4.34 -1.32 -1.26 -2.97 115.64 114.07 2jxb s THR 41 Ca 0.28 -0.88 -0.32 0.00 -1.21 0.00 0.00 61.69 59.56 2jxb s THR 41 Cb 0.03 -1.98 -0.13 0.00 -1.51 0.00 0.00 72.50 68.91 2jxb s THR 41 CO 0.11 0.55 1.53 0.00 -2.21 0.00 0.00 174.62 174.59 2jxb n ALA 42 N 3.33 1.46 0.08 11.08 0.00 -1.24 -4.90 120.51 130.31 2jxb n ALA 42 Ca -0.18 0.43 -0.18 0.00 0.00 0.00 0.00 53.44 53.51 2jxb n ALA 42 Cb 0.53 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 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 5.26 0.28 0.00 0.00 7.50 -1.88 -3.49 115.11 122.78 2jxb h GLN 43 Ca -0.45 -0.49 -0.19 0.00 0.50 0.00 0.00 58.65 58.03 2jxb h GLN 43 Cb 1.26 0.18 -0.05 0.00 0.05 0.00 0.00 27.48 28.92 2jxb h GLN 43 CO 0.84 1.17 -0.12 0.00 -1.50 0.00 0.00 178.83 179.22 2jxb n GLN 44 N -3.50 0.40 0.22 1.46 10.64 -1.26 -5.01 117.38 120.33 2jxb n GLN 44 Ca -0.15 -1.75 0.15 0.00 -1.83 0.00 0.00 57.00 53.42 2jxb n GLN 44 Cb 1.05 1.65 0.64 0.00 -0.86 0.00 0.00 30.24 32.71 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2jxb h ASP 45 N 1.21 0.00 1.01 2.61 3.45 -2.03 -2.52 116.42 120.15 2jxb h ASP 45 Ca -0.16 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.11 2jxb h ASP 45 Cb 0.73 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.47 2jxb h ASP 45 CO 0.22 0.00 -1.04 -0.61 -1.57 0.00 0.00 179.24 176.24 2jxb h GLN 46 N 0.00 0.00 -7.23 3.56 5.75 -1.95 -3.47 115.11 111.77 2jxb h GLN 46 Ca 0.00 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 58.05 2jxb h GLN 46 Cb 0.41 0.00 0.09 0.00 1.07 0.00 0.00 27.48 29.04 2jxb h GLN 46 CO 0.00 0.65 0.17 -1.21 -2.65 0.00 0.00 178.83 175.79 2jxb s GLU 47 N -2.80 1.89 0.24 1.69 0.41 -0.95 -2.24 118.70 116.94 2jxb s GLU 47 Ca 0.00 -0.64 0.08 0.00 -0.41 0.00 0.00 54.97 54.00 2jxb s GLU 47 Cb 0.09 -2.24 -0.05 0.00 -1.78 0.00 0.00 34.13 30.15 2jxb s GLU 47 CO 0.80 -1.36 -0.12 -1.17 -0.49 0.00 0.00 175.26 172.91 2jxb s LEU 48 N -5.21 2.53 -0.12 1.80 0.20 0.88 -4.31 118.68 114.45 2jxb s LEU 48 Ca 0.63 -1.08 -0.00 0.00 0.69 0.00 0.00 54.13 54.37 2jxb s LEU 48 Cb -0.08 -0.71 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 2jxb s LEU 48 CO 0.44 -0.21 -0.11 -0.62 -0.29 0.00 0.00 176.35 175.56 2jxb s ASP 49 N -3.38 4.18 0.09 3.68 3.68 -1.26 -3.69 116.67 119.97 2jxb s ASP 49 Ca 0.26 -0.27 0.03 0.00 2.13 0.00 0.00 52.55 54.70 2jxb s ASP 49 Cb 0.00 -1.55 -0.04 0.00 -1.45 0.00 0.00 42.92 39.88 2jxb s ASP 49 CO 0.09 0.19 -0.08 0.27 0.13 0.00 0.00 175.17 175.77 2jxb s ILE 50 N 0.20 0.80 0.47 4.11 -5.25 -1.16 -4.96 121.20 115.41 2jxb s ILE 50 Ca -0.07 -1.72 0.04 0.00 -0.99 0.00 0.00 60.65 57.91 2jxb s ILE 50 Cb -0.15 -1.43 -0.04 0.00 2.95 0.00 0.00 42.46 43.79 2jxb s ILE 50 CO 0.05 -0.69 0.01 -0.75 -1.79 0.00 0.00 174.94 171.77 2jxb s LYS 51 N -3.15 2.11 0.19 0.37 2.20 -1.26 0.05 119.74 120.25 2jxb s LYS 51 Ca 0.07 -2.28 -0.32 0.00 -0.36 0.00 0.00 55.97 53.08 2jxb s LYS 51 Cb 0.00 -1.59 -0.12 0.00 -1.51 0.00 0.00 37.83 34.62 2jxb s LYS 51 CO -0.02 -0.24 1.76 -1.59 -0.36 0.00 0.00 175.35 174.90 2jxb s LYS 52 N -3.82 4.12 -1.23 4.03 -2.85 -1.21 -1.59 119.74 117.19 2jxb s LYS 52 Ca 0.18 2.62 -0.01 0.00 -1.00 0.00 0.00 55.97 57.76 2jxb s LYS 52 Cb 0.05 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.63 2jxb s LYS 52 CO 0.09 -0.78 0.14 -1.71 0.10 0.00 0.00 175.35 173.19 2jxb n ASN 53 N 4.38 -4.62 -4.68 0.03 5.15 -0.92 -4.98 115.26 109.63 2jxb n ASN 53 Ca 0.16 -0.07 -0.39 0.00 -0.60 0.00 0.00 54.58 53.68 2jxb n ASN 53 Cb 0.36 -3.68 -0.07 0.00 -0.53 0.00 0.00 39.78 35.87 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 -4.94 4.23 0.04 1.20 2.56 -0.62 -4.87 118.70 116.30 2jxb s GLU 54 Ca 0.07 0.42 0.01 0.00 0.00 0.00 0.00 54.97 55.47 2jxb s GLU 54 Cb -0.03 -3.53 -0.04 0.00 2.00 0.00 0.00 34.13 32.53 2jxb s GLU 54 CO 0.08 -0.07 0.07 -0.98 -0.56 0.00 0.00 175.26 173.81 2jxb s ARG 55 N 1.38 2.96 0.34 4.30 3.03 -1.26 -0.10 118.95 129.60 2jxb s ARG 55 Ca 0.24 -0.60 -0.03 0.00 2.03 0.00 0.00 55.73 57.38 2jxb s ARG 55 Cb -0.15 -2.78 0.00 0.00 -1.03 0.00 0.00 34.95 30.99 2jxb s ARG 55 CO 0.10 0.60 0.48 -0.51 -1.13 0.00 0.00 175.30 174.84 2jxb s LEU 56 N -2.05 0.96 -0.40 -1.89 1.02 -1.02 -4.92 118.68 110.38 2jxb s LEU 56 Ca 0.26 -1.46 -0.18 0.00 0.02 0.00 0.00 54.13 52.76 2jxb s LEU 56 Cb -0.12 1.51 0.01 0.00 0.02 0.00 0.00 46.19 47.61 2jxb s LEU 56 CO 0.18 -1.30 0.52 0.26 0.02 0.00 0.00 176.35 176.02 2jxb s TRP 57 N -3.06 3.14 0.07 0.29 0.51 0.60 -2.21 118.94 118.28 2jxb s TRP 57 Ca 0.30 -0.11 -0.31 0.00 -2.12 0.00 0.00 56.10 53.86 2jxb s TRP 57 Cb -0.01 -3.03 -0.08 0.00 -0.81 0.00 0.00 33.47 29.55 2jxb s TRP 57 CO 0.20 -0.69 1.55 -1.17 -0.51 0.00 0.00 176.95 176.32 2jxb s LEU 58 N 2.41 4.35 0.00 2.99 0.20 0.11 -0.08 118.68 128.66 2jxb s LEU 58 Ca 0.17 2.39 0.00 0.00 0.69 0.00 0.00 54.13 57.38 2jxb s LEU 58 Cb -0.16 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 2jxb s LEU 58 CO 0.15 -0.81 0.00 0.18 -0.29 0.00 0.00 176.35 175.58 2jxb n LEU 59 N 5.10 0.00 -3.72 -0.68 4.77 0.16 -4.24 117.00 118.39 2jxb n LEU 59 Ca 0.14 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 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 0.61 -0.44 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.25 2jxb s ASP 60 N -3.67 2.47 -0.70 -1.43 3.68 -1.10 -5.00 116.67 110.93 2jxb s ASP 60 Ca 0.00 -0.60 0.05 0.00 2.13 0.00 0.00 52.55 54.13 2jxb s ASP 60 Cb 0.00 -0.49 0.17 0.00 -1.45 0.00 0.00 42.92 41.15 2jxb s ASP 60 CO 0.00 -0.29 0.50 -0.90 0.13 0.00 0.00 175.17 174.61 2jxb n ASP 61 N 5.12 2.94 -0.07 -0.34 5.75 -1.26 -2.06 116.55 126.62 2jxb n ASP 61 Ca -0.08 -3.19 -0.14 0.00 -0.01 0.00 0.00 54.79 51.36 2jxb n ASP 61 Cb 0.48 -0.75 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 2jxb n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jxb n SER 62 N 1.94 0.98 -4.50 -1.12 7.64 -1.26 -5.04 113.62 112.25 2jxb n SER 62 Ca 0.21 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.99 2jxb n SER 62 Cb 0.36 -0.39 0.13 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.35 0.35 1.43 1.02 -1.26 -4.95 119.74 115.44 2jxb s LYS 63 Ca -0.19 -0.81 0.15 0.00 0.02 0.00 0.00 55.97 55.13 2jxb s LYS 63 Cb 0.07 -2.15 1.03 0.00 -0.52 0.00 0.00 37.83 36.26 2jxb s LYS 63 CO 0.24 -1.77 1.71 0.00 -0.92 0.00 0.00 175.35 174.61 2jxb h THR 64 N -0.92 0.44 -2.98 2.17 1.03 -1.93 -3.38 112.91 107.34 2jxb h THR 64 Ca -0.40 -0.15 -0.62 0.00 -0.01 0.00 0.00 66.41 65.24 2jxb h THR 64 Cb 1.26 -0.03 -0.07 0.00 -1.07 0.00 0.00 68.15 68.24 2jxb h THR 64 CO 0.41 0.08 -0.29 0.26 -0.01 0.00 0.00 175.52 175.96 2jxb s TRP 65 N -5.64 3.64 0.16 0.00 0.52 -1.26 -2.39 118.94 113.97 2jxb s TRP 65 Ca -0.10 0.80 0.07 0.00 0.02 0.00 0.00 56.10 56.89 2jxb s TRP 65 Cb 0.28 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 2jxb s TRP 65 CO 0.80 0.58 -0.03 -1.58 0.02 0.00 0.00 176.95 176.74 2jxb s TRP 66 N -0.72 2.82 -0.18 -1.98 0.51 -0.30 -4.51 118.94 114.58 2jxb s TRP 66 Ca 0.20 -0.14 -0.01 0.00 -2.12 0.00 0.00 56.10 54.03 2jxb s TRP 66 Cb -0.15 -1.39 -0.00 0.00 -0.81 0.00 0.00 33.47 31.12 2jxb s TRP 66 CO 0.09 0.50 -0.12 0.50 -0.51 0.00 0.00 176.95 177.42 2jxb s ARG 67 N -2.77 3.28 0.33 4.98 3.52 -0.88 -1.51 118.95 125.90 2jxb s ARG 67 Ca 0.26 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2jxb s ARG 67 Cb -0.10 -2.76 -0.06 0.00 -1.56 0.00 0.00 34.95 30.48 2jxb s ARG 67 CO 0.17 -0.05 0.07 0.14 -0.81 0.00 0.00 175.30 174.82 2jxb s VAL 68 N 1.03 1.01 0.03 7.11 -7.23 -1.18 0.40 120.40 121.57 2jxb s VAL 68 Ca -0.01 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2jxb s VAL 68 Cb -0.15 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 2jxb s VAL 68 CO -0.02 0.00 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.98 2jxb s ARG 69 N -3.89 1.28 0.52 4.82 3.52 0.88 -2.58 118.95 123.50 2jxb s ARG 69 Ca 0.35 -0.85 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 2jxb s ARG 69 Cb 0.08 -1.35 0.09 0.00 -1.56 0.00 0.00 34.95 32.21 2jxb s ARG 69 CO 0.15 0.35 0.72 0.27 -0.81 0.00 0.00 175.30 175.97 2jxb n ASN 70 N 1.98 1.49 0.11 -2.12 6.94 -0.74 -0.29 115.26 122.62 2jxb n ASN 70 Ca -0.17 -2.14 0.10 0.00 -0.02 0.00 0.00 54.58 52.36 2jxb n ASN 70 Cb 0.54 -0.42 0.46 0.00 -2.36 0.00 0.00 39.78 38.00 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 -2.63 1.55 1.30 -2.53 0.00 -1.26 -1.85 120.51 115.09 2jxb n ALA 71 Ca -0.12 0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.44 2jxb n ALA 71 Cb 0.49 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.72 2.47 -1.19 0.00 0.00 -1.26 -4.86 120.51 113.95 2jxb n ALA 72 Ca 0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.00 2jxb n ALA 72 Cb 0.18 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 0.15 -5.07 -4.84 0.00 3.02 -0.77 -4.97 115.26 102.78 2jxb n ASN 73 Ca 0.08 0.16 -0.36 0.00 -0.03 0.00 0.00 54.58 54.43 2jxb n ASN 73 Cb 0.19 -3.15 -0.06 0.00 -0.61 0.00 0.00 39.78 36.16 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 -2.26 4.00 -0.09 3.52 6.06 -1.26 -4.90 118.95 124.03 2jxb s ARG 74 Ca 0.00 0.51 0.04 0.00 -2.50 0.00 0.00 55.73 53.78 2jxb s ARG 74 Cb 0.00 -3.03 0.00 0.00 0.06 0.00 0.00 34.95 31.98 2jxb s ARG 74 CO 0.00 0.54 -0.23 0.95 -2.50 0.00 0.00 175.30 174.06 2jxb s THR 75 N -1.34 1.95 0.00 4.11 -4.23 -1.26 -1.80 115.64 113.06 2jxb s THR 75 Ca 0.34 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2jxb s THR 75 Cb -0.16 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2jxb s THR 75 CO 0.18 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 2jxb n GLY 76 N 3.48 3.65 3.55 3.99 0.00 -1.06 -4.98 105.19 113.82 2jxb n GLY 76 Ca -0.19 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.33 2.59 -0.10 1.61 2.02 -0.95 -3.09 117.35 116.09 2jxb s TYR 77 Ca 0.00 -0.24 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 2jxb s TYR 77 Cb 0.00 -1.29 0.06 0.00 -0.40 0.00 0.00 41.96 40.33 2jxb s TYR 77 CO 0.00 0.49 0.57 0.14 -1.57 0.00 0.00 175.55 175.18 2jxb s VAL 78 N -1.60 0.01 0.03 0.71 -7.23 -0.57 -0.09 120.40 111.67 2jxb s VAL 78 Ca 0.23 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.00 2jxb s VAL 78 Cb -0.09 -0.86 -0.06 0.00 0.56 0.00 0.00 36.38 35.93 2jxb s VAL 78 CO 0.14 -0.05 1.43 -2.16 -0.31 0.00 0.00 175.10 174.14 2jxb s PRO 79 N -0.68 4.28 0.27 4.82 0.04 -1.26 -1.14 135.00 141.32 2jxb s PRO 79 Ca -0.08 2.02 0.21 0.00 0.04 0.00 0.00 61.00 63.20 2jxb s PRO 79 Cb -0.03 -3.52 1.02 0.00 0.04 0.00 0.00 34.50 32.01 2jxb s PRO 79 CO 0.06 -0.57 1.65 0.45 0.04 0.00 0.00 177.00 178.62 2jxb n SER 80 N 5.17 0.57 0.10 6.66 2.88 -1.00 -1.69 113.62 126.30 2jxb n SER 80 Ca 0.13 0.70 -0.04 0.00 -1.33 0.00 0.00 58.87 58.33 2jxb n SER 80 Cb 0.43 -0.80 0.11 0.00 -0.75 0.00 0.00 64.21 63.20 2jxb n SER 80 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jxb h ASN 81 N 0.00 0.16 -0.29 -3.46 -1.07 -1.90 -2.97 115.58 106.04 2jxb h ASN 81 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 56.30 56.27 2jxb h ASN 81 Cb 0.16 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.37 2jxb h ASN 81 CO 0.00 0.78 0.00 -1.22 0.07 0.00 0.00 177.43 177.06 2jxb n TYR 82 N -3.79 0.37 -4.38 4.14 4.01 -0.68 -4.93 117.16 111.90 2jxb n TYR 82 Ca -0.02 -0.18 -0.21 0.00 -0.16 0.00 0.00 57.90 57.32 2jxb n TYR 82 Cb 0.66 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.59 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 -1.63 2.00 -0.30 -0.72 0.11 -1.12 -0.37 120.40 118.37 2jxb s VAL 83 Ca 0.36 -2.19 0.01 0.00 -2.93 0.00 0.00 61.98 57.23 2jxb s VAL 83 Cb 0.21 -2.07 0.19 0.00 -1.53 0.00 0.00 36.38 33.18 2jxb s VAL 83 CO 0.30 -0.45 0.61 -0.70 -3.33 0.00 0.00 175.10 171.53 2jxb s GLU 84 N -3.35 0.56 0.97 1.54 2.12 0.11 -4.74 118.70 115.91 2jxb s GLU 84 Ca 0.23 0.85 -0.13 0.00 0.36 0.00 0.00 54.97 56.28 2jxb s GLU 84 Cb -0.04 0.45 0.08 0.00 0.26 0.00 0.00 34.13 34.89 2jxb s GLU 84 CO 0.09 -0.75 0.57 2.89 -0.54 0.00 0.00 175.26 177.53 2jxb n ARG 85 N 5.43 -0.55 0.00 4.30 -4.01 -1.26 -3.13 116.66 117.44 2jxb n ARG 85 Ca 0.01 -0.11 0.06 0.00 -1.04 0.00 0.00 57.85 56.76 2jxb n ARG 85 Cb 0.52 -1.98 0.34 0.00 -3.04 0.00 0.00 32.46 28.30 2jxb n ARG 85 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76