#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxw s PRO 2 N 0.00 3.55 -0.32 -0.24 0.04 -1.26 -4.98 135.00 131.79 2jxw s PRO 2 Ca 0.00 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 2jxw s PRO 2 Cb 0.00 -4.14 0.06 0.00 0.04 0.00 0.00 34.50 30.46 2jxw s PRO 2 CO 0.00 -1.59 0.05 0.45 0.04 0.00 0.00 177.00 175.94 2jxw s SER 3 N 5.37 5.04 -0.12 6.66 0.15 -1.26 -5.08 113.70 124.46 2jxw s SER 3 Ca 0.78 -1.34 -0.23 0.00 0.70 0.00 0.00 55.95 55.86 2jxw s SER 3 Cb -0.25 -1.76 0.06 0.00 -1.71 0.00 0.00 66.02 62.35 2jxw s SER 3 CO 0.32 -0.31 0.57 -0.75 1.20 0.00 0.00 173.24 174.27 2jxw s LYS 4 N 1.27 0.82 0.18 5.44 2.20 -1.26 -4.69 119.74 123.70 2jxw s LYS 4 Ca -0.03 0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 56.00 2jxw s LYS 4 Cb -0.20 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.51 2jxw s LYS 4 CO -0.01 -0.19 0.27 0.41 -0.36 0.00 0.00 175.35 175.47 2jxw n GLY 5 N 1.83 2.47 3.10 5.54 0.00 -1.26 -5.13 105.19 111.74 2jxw n GLY 5 Ca -0.17 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 2jxw n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jxw s ARG 6 N -2.36 1.91 0.12 1.61 0.52 -1.26 -4.98 118.95 114.51 2jxw s ARG 6 Ca 0.14 -1.85 0.09 0.00 -0.52 0.00 0.00 55.73 53.58 2jxw s ARG 6 Cb -0.01 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 2jxw s ARG 6 CO 0.10 -1.05 -0.18 -1.58 0.02 0.00 0.00 175.30 172.61 2jxw s TRP 7 N 1.06 2.53 0.12 -0.53 0.52 -1.26 -3.42 118.94 117.96 2jxw s TRP 7 Ca 0.09 -0.26 0.08 0.00 0.02 0.00 0.00 56.10 56.02 2jxw s TRP 7 Cb -0.22 -1.35 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2jxw s TRP 7 CO -0.05 0.38 -0.11 0.08 0.02 0.00 0.00 176.95 177.27 2jxw s VAL 8 N -1.14 3.26 -0.19 4.03 1.01 -0.20 -4.92 120.40 122.25 2jxw s VAL 8 Ca 0.18 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 60.70 2jxw s VAL 8 Cb -0.11 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2jxw s VAL 8 CO 0.10 0.07 0.08 -0.70 0.00 0.00 0.00 175.10 174.66 2jxw s GLU 9 N -2.31 4.04 0.04 2.72 2.12 -1.26 -2.26 118.70 121.79 2jxw s GLU 9 Ca 0.21 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.27 2jxw s GLU 9 Cb -0.11 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 2jxw s GLU 9 CO 0.13 0.29 -0.08 0.20 -0.54 0.00 0.00 175.26 175.27 2jxw s GLY 10 N 0.33 0.51 0.03 -1.50 0.00 0.65 -5.01 107.32 102.33 2jxw s GLY 10 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.09 2jxw s GLY 10 CO -0.01 -0.73 0.04 -0.42 0.00 0.00 0.00 173.10 171.98 2jxw s ILE 11 N -1.13 4.35 0.18 0.90 -1.09 -1.26 -0.75 121.20 122.40 2jxw s ILE 11 Ca -0.07 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 57.76 2jxw s ILE 11 Cb -0.09 -3.00 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 2jxw s ILE 11 CO 0.00 0.28 -0.08 0.42 -1.23 0.00 0.00 174.94 174.34 2jxw s THR 12 N -1.20 1.23 0.69 2.92 -4.23 -0.36 -4.94 115.64 109.74 2jxw s THR 12 Ca 0.23 -2.08 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 2jxw s THR 12 Cb -0.12 -2.02 -0.08 0.00 1.34 0.00 0.00 72.50 71.62 2jxw s THR 12 CO 0.15 -0.61 0.21 -1.20 -0.54 0.00 0.00 174.62 172.63 2jxw n SER 13 N -0.29 -2.36 0.00 3.99 7.64 -1.26 -2.60 113.62 118.74 2jxw n SER 13 Ca -0.08 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2jxw n SER 13 Cb 0.61 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2jxw n SER 13 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jxw n GLU 14 N 0.26 0.00 0.00 1.43 0.00 -1.26 -3.92 120.64 117.14 2jxw n GLU 14 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 2jxw n GLU 14 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.94 2jxw n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jxw n GLY 15 N 0.00 -0.04 3.46 8.31 0.00 -1.07 -5.17 105.19 110.69 2jxw n GLY 15 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2jxw n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxw s TYR 16 N 0.00 2.66 -0.28 1.61 2.02 -1.18 -4.98 117.35 117.19 2jxw s TYR 16 Ca 0.00 -0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 56.44 2jxw s TYR 16 Cb 0.00 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 2jxw s TYR 16 CO 0.00 0.19 0.08 -1.01 -1.57 0.00 0.00 175.55 173.24 2jxw s HIS 17 N -0.76 3.12 0.12 2.71 3.76 -1.26 -1.23 115.29 121.75 2jxw s HIS 17 Ca 0.12 -0.74 0.06 0.00 -0.15 0.00 0.00 55.06 54.36 2jxw s HIS 17 Cb -0.11 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 2jxw s HIS 17 CO 0.01 -0.49 -0.04 1.52 -0.85 0.00 0.00 174.74 174.89 2jxw s TYR 18 N 1.55 2.85 0.10 1.40 1.13 0.07 -4.73 117.35 119.73 2jxw s TYR 18 Ca 0.04 -0.11 0.08 0.00 -1.41 0.00 0.00 57.07 55.68 2jxw s TYR 18 Cb -0.16 -1.45 -0.04 0.00 -1.10 0.00 0.00 41.96 39.21 2jxw s TYR 18 CO 0.03 0.47 -0.22 0.71 -2.51 0.00 0.00 175.55 174.04 2jxw s TYR 19 N -1.39 1.84 0.07 -3.49 2.02 1.00 -0.25 117.35 117.14 2jxw s TYR 19 Ca 0.25 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 2jxw s TYR 19 Cb -0.11 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 2jxw s TYR 19 CO 0.17 0.21 -0.16 -0.47 -1.57 0.00 0.00 175.55 173.73 2jxw s TYR 20 N -1.14 1.39 -0.15 2.71 6.14 -0.96 0.72 117.35 126.07 2jxw s TYR 20 Ca 0.07 -0.41 -0.01 0.00 0.64 0.00 0.00 57.07 57.36 2jxw s TYR 20 Cb -0.10 -0.80 -0.01 0.00 0.42 0.00 0.00 41.96 41.47 2jxw s TYR 20 CO 0.04 0.09 -0.12 0.34 0.64 0.00 0.00 175.55 176.54 2jxw s ASP 21 N -1.54 4.03 -0.01 4.32 2.15 -0.65 -1.04 116.67 123.93 2jxw s ASP 21 Ca 0.02 -0.35 -0.11 0.00 0.43 0.00 0.00 52.55 52.54 2jxw s ASP 21 Cb -0.09 -1.63 -0.32 0.00 -0.30 0.00 0.00 42.92 40.58 2jxw s ASP 21 CO 0.02 0.13 0.83 0.17 -0.17 0.00 0.00 175.17 176.15 2jxw h LEU 22 N 6.99 0.64 0.09 -1.34 -0.00 -1.89 0.11 115.31 119.91 2jxw h LEU 22 Ca -0.29 -0.83 -0.00 0.00 -0.00 0.00 0.00 57.88 56.76 2jxw h LEU 22 Cb 1.20 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 2jxw h LEU 22 CO 0.57 1.68 -0.04 0.40 -0.00 0.00 0.00 178.44 181.05 2jxw h ILE 23 N 0.11 0.95 0.18 0.15 2.04 -1.95 -3.27 117.51 115.71 2jxw h ILE 23 Ca -0.29 -0.13 -0.33 0.00 1.00 0.00 0.00 64.86 65.11 2jxw h ILE 23 Cb 2.10 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 39.22 2jxw h ILE 23 CO 0.21 0.03 -1.66 0.28 0.00 0.00 0.00 178.15 177.00 2jxw h SER 24 N -0.17 0.58 -0.48 1.72 0.02 -1.95 -3.49 113.55 109.77 2jxw h SER 24 Ca -0.01 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 2jxw h SER 24 Cb 0.14 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2jxw h SER 24 CO 0.02 1.75 0.00 0.61 -1.14 0.00 0.00 176.83 178.07 2jxw n GLY 25 N 1.83 0.96 3.22 -3.77 0.00 0.39 -5.08 105.19 102.74 2jxw n GLY 25 Ca -0.24 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 2jxw n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxw s ALA 26 N -2.48 1.49 0.03 4.61 0.00 -1.16 -4.95 121.76 119.29 2jxw s ALA 26 Ca 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 2jxw s ALA 26 Cb 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 2jxw s ALA 26 CO 0.00 0.28 0.41 -1.54 0.00 0.00 0.00 175.76 174.91 2jxw s SER 27 N -1.54 6.75 0.22 0.00 1.04 -1.26 -1.64 113.70 117.26 2jxw s SER 27 Ca 0.03 0.91 0.01 0.00 0.48 0.00 0.00 55.95 57.38 2jxw s SER 27 Cb -0.09 -2.23 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 2jxw s SER 27 CO 0.03 0.27 0.07 -1.58 0.98 0.00 0.00 173.24 173.01 2jxw s GLN 28 N -1.36 1.27 0.00 4.02 2.00 0.22 -5.00 119.66 120.82 2jxw s GLN 28 Ca 0.27 -1.66 0.00 0.00 -2.00 0.00 0.00 55.36 51.97 2jxw s GLN 28 Cb -0.16 -0.18 0.00 0.00 0.80 0.00 0.00 33.01 33.47 2jxw s GLN 28 CO 0.15 -0.25 0.61 0.91 -0.50 0.00 0.00 175.29 176.20 2jxw n TRP 29 N -0.35 0.00 -4.32 1.67 7.02 -1.26 -0.00 117.44 120.19 2jxw n TRP 29 Ca -0.02 -0.18 -0.32 0.00 -1.02 0.00 0.00 57.50 55.95 2jxw n TRP 29 Cb 0.65 -0.02 -0.16 0.00 -2.42 0.00 0.00 31.31 29.36 2jxw n TRP 29 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jxw s GLU 30 N -0.37 2.88 -0.03 -0.99 2.02 -1.26 -4.84 118.70 116.12 2jxw s GLU 30 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 2jxw s GLU 30 Cb 0.00 -2.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.73 2jxw s GLU 30 CO 0.00 -0.14 1.80 0.21 0.02 0.00 0.00 175.26 177.15 2jxw s LYS 31 N 1.13 4.12 1.38 1.61 2.20 -1.26 -4.95 119.74 123.97 2jxw s LYS 31 Ca 0.00 2.34 -0.21 0.00 -0.36 0.00 0.00 55.97 57.73 2jxw s LYS 31 Cb -0.14 -4.07 0.35 0.00 -1.51 0.00 0.00 37.83 32.46 2jxw s LYS 31 CO -0.08 -0.94 0.95 -2.14 -0.36 0.00 0.00 175.35 172.77 2jxw s PRO 32 N 4.30 -2.64 0.26 4.03 0.02 -1.26 -4.93 135.00 134.78 2jxw s PRO 32 Ca 0.80 0.20 0.01 0.00 0.02 0.00 0.00 61.00 62.03 2jxw s PRO 32 Cb -0.37 -1.41 0.34 0.00 0.02 0.00 0.00 34.50 33.09 2jxw s PRO 32 CO 0.35 -4.70 1.69 1.49 -0.33 0.00 0.00 177.00 175.49 2jxw h GLU 33 N -3.29 0.55 -3.73 5.54 4.22 -1.94 -3.37 114.58 112.56 2jxw h GLU 33 Ca -0.46 -0.22 -0.72 0.00 0.08 0.00 0.00 59.36 58.05 2jxw h GLU 33 Cb 1.34 -0.03 -0.33 0.00 0.50 0.00 0.00 28.75 30.23 2jxw h GLU 33 CO 0.31 0.77 -0.28 0.20 -2.18 0.00 0.00 179.01 177.83 2jxw s GLY 34 N -3.98 2.49 0.09 1.92 0.00 -1.26 -5.05 107.32 101.53 2jxw s GLY 34 Ca -0.07 -3.19 -0.01 0.00 0.00 0.00 0.00 44.72 41.44 2jxw s GLY 34 CO 0.80 1.13 0.01 -0.12 0.00 0.00 0.00 173.10 174.93 2jxw s PHE 35 N 0.13 0.71 0.00 1.90 5.36 -1.26 -4.60 117.98 120.22 2jxw s PHE 35 Ca 0.16 -1.15 0.00 0.00 -0.96 0.00 0.00 56.93 54.98 2jxw s PHE 35 Cb -0.19 -0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.05 2jxw s PHE 35 CO -0.04 -0.44 0.00 0.94 -1.46 0.00 0.00 175.22 174.22 2jxw n GLN 36 N -0.00 0.00 0.00 10.12 7.27 -1.26 -4.98 117.38 128.53 2jxw n GLN 36 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.97 2jxw n GLN 36 Cb 0.62 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.27 2jxw n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jxw n GLY 37 N 0.00 5.46 3.81 1.69 0.00 -1.26 -4.95 105.19 109.95 2jxw n GLY 37 Ca 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 2jxw n GLY 37 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jxw s ASP 38 N 1.00 -0.11 0.29 1.61 -4.77 -1.26 -5.16 116.67 108.27 2jxw s ASP 38 Ca 0.00 -0.61 0.00 0.00 -3.30 0.00 0.00 52.55 48.64 2jxw s ASP 38 Cb 0.00 0.58 0.00 0.00 -1.09 0.00 0.00 42.92 42.41 2jxw s ASP 38 CO 0.00 -1.10 0.00 0.18 0.70 0.00 0.00 175.17 174.95 2jxw n LEU 39 N -0.54 -0.52 -4.77 2.11 7.99 -1.26 -5.00 117.00 115.01 2jxw n LEU 39 Ca -0.05 1.20 -0.25 0.00 -0.01 0.00 0.00 56.01 56.89 2jxw n LEU 39 Cb 0.60 -2.52 -0.06 0.00 -0.11 0.00 0.00 43.42 41.32 2jxw n LEU 39 CO 0.18 -1.64 -0.13 -0.75 -1.51 0.00 0.00 177.39 173.53 2jxw s LYS 40 N -2.91 2.24 0.13 3.23 2.47 -1.26 -5.04 119.74 118.60 2jxw s LYS 40 Ca 0.00 -1.91 0.00 0.00 -1.56 0.00 0.00 55.97 52.50 2jxw s LYS 40 Cb 0.00 -1.97 0.00 0.00 -1.46 0.00 0.00 37.83 34.40 2jxw s LYS 40 CO 0.00 -0.21 0.00 1.17 0.16 0.00 0.00 175.35 176.47 2jxw n LYS 41 N -1.32 -1.90 -3.67 4.03 4.81 -1.26 -5.07 118.16 113.76 2jxw n LYS 41 Ca -0.03 1.41 -0.12 0.00 -0.87 0.00 0.00 58.31 58.70 2jxw n LYS 41 Cb 0.65 -1.51 -0.13 0.00 0.02 0.00 0.00 35.03 34.06 2jxw n LYS 41 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2jxw s THR 42 N -1.23 -0.37 -0.33 3.15 -4.23 -1.26 -5.11 115.64 106.26 2jxw s THR 42 Ca 0.00 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 2jxw s THR 42 Cb 0.00 -0.47 0.14 0.00 1.34 0.00 0.00 72.50 73.51 2jxw s THR 42 CO 0.00 0.10 0.31 0.00 -0.54 0.00 0.00 174.62 174.49 2jxw s ALA 43 N 2.22 -0.27 -0.01 3.99 0.00 -1.26 -5.13 121.76 121.30 2jxw s ALA 43 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2jxw s ALA 43 Cb -0.12 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.16 2jxw s ALA 43 CO -0.09 -1.91 0.01 0.08 0.00 0.00 0.00 175.76 173.85 2jxw s VAL 44 N 1.88 -0.01 -0.56 0.00 1.01 -1.26 -5.11 120.40 116.34 2jxw s VAL 44 Ca 0.13 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 2jxw s VAL 44 Cb -0.15 -0.05 0.01 0.00 0.00 0.00 0.00 36.38 36.19 2jxw s VAL 44 CO -0.19 0.04 1.44 -0.75 0.00 0.00 0.00 175.10 175.65 2jxw s LYS 45 N 0.45 3.26 0.54 2.72 2.20 -1.26 -4.99 119.74 122.67 2jxw s LYS 45 Ca -0.04 0.46 0.07 0.00 -0.36 0.00 0.00 55.97 56.10 2jxw s LYS 45 Cb -0.06 -4.14 0.05 0.00 -1.51 0.00 0.00 37.83 32.18 2jxw s LYS 45 CO -0.01 -1.99 0.55 0.95 -0.36 0.00 0.00 175.35 174.49 2jxw s THR 46 N 6.22 1.93 -0.34 3.43 -4.23 -1.26 -5.03 115.64 116.36 2jxw s THR 46 Ca 0.53 -1.29 0.09 0.00 -1.18 0.00 0.00 61.69 59.85 2jxw s THR 46 Cb -0.11 -2.22 0.73 0.00 1.34 0.00 0.00 72.50 72.24 2jxw s THR 46 CO 0.25 0.00 1.77 0.55 -0.54 0.00 0.00 174.62 176.64 2jxw n VAL 47 N -1.93 2.83 -4.93 2.29 3.14 -1.26 -4.92 118.33 113.54 2jxw n VAL 47 Ca 0.05 -1.53 -0.33 0.00 -2.96 0.00 0.00 64.34 59.57 2jxw n VAL 47 Cb 0.63 -0.37 -0.13 0.00 -1.06 0.00 0.00 33.84 32.90 2jxw n VAL 47 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 2jxw s TRP 48 N -2.87 2.66 -0.10 1.45 0.52 -1.26 -3.93 118.94 115.41 2jxw s TRP 48 Ca 0.53 -0.19 -0.08 0.00 0.02 0.00 0.00 56.10 56.39 2jxw s TRP 48 Cb 0.42 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 31.09 2jxw s TRP 48 CO 0.13 0.17 0.17 0.54 0.02 0.00 0.00 176.95 177.98 2jxw s VAL 49 N -0.72 5.45 -0.22 4.03 0.11 -0.50 -4.89 120.40 123.66 2jxw s VAL 49 Ca 0.11 0.26 -0.19 0.00 -2.93 0.00 0.00 61.98 59.23 2jxw s VAL 49 Cb -0.11 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 2jxw s VAL 49 CO 0.00 0.60 0.57 -0.70 -3.33 0.00 0.00 175.10 172.24 2jxw s GLU 50 N -1.08 4.16 0.26 1.54 -6.30 -1.26 -2.37 118.70 113.65 2jxw s GLU 50 Ca 0.17 0.47 0.11 0.00 -2.50 0.00 0.00 54.97 53.22 2jxw s GLU 50 Cb -0.13 -3.60 -0.05 0.00 0.00 0.00 0.00 34.13 30.36 2jxw s GLU 50 CO 0.06 -0.26 -0.17 0.20 0.02 0.00 0.00 175.26 175.10 2jxw s GLY 51 N 1.30 1.82 -0.09 -1.50 0.00 0.18 -4.98 107.32 104.05 2jxw s GLY 51 Ca 0.25 -1.80 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 2jxw s GLY 51 CO 0.09 -1.87 -0.06 -2.27 0.00 0.00 0.00 173.10 169.00 2jxw s LEU 52 N -3.38 3.21 0.12 0.66 2.96 -1.26 -1.08 118.68 119.91 2jxw s LEU 52 Ca 0.29 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.23 2jxw s LEU 52 Cb -0.06 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2jxw s LEU 52 CO 0.15 0.31 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.76 2jxw s SER 53 N -0.50 2.42 0.70 3.68 0.15 0.35 -4.92 113.70 115.59 2jxw s SER 53 Ca 0.08 -0.75 -0.17 0.00 0.70 0.00 0.00 55.95 55.81 2jxw s SER 53 Cb -0.12 -0.13 -0.09 0.00 -1.71 0.00 0.00 66.02 63.98 2jxw s SER 53 CO 0.02 -0.01 0.16 1.21 1.20 0.00 0.00 173.24 175.82 2jxw n GLU 54 N 0.80 0.18 -1.05 5.44 2.13 -1.26 -1.50 120.64 125.38 2jxw n GLU 54 Ca -0.17 0.08 -0.02 0.00 0.66 0.00 0.00 57.16 57.71 2jxw n GLU 54 Cb 0.55 -1.48 -0.01 0.00 0.27 0.00 0.00 31.44 30.77 2jxw n GLU 54 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jxw n ASP 55 N 1.02 -4.82 -2.02 4.31 9.92 -1.26 -3.73 116.55 119.98 2jxw n ASP 55 Ca 0.08 0.04 -0.02 0.00 -0.53 0.00 0.00 54.79 54.37 2jxw n ASP 55 Cb 0.50 -2.48 0.01 0.00 -0.64 0.00 0.00 41.12 38.51 2jxw n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jxw n GLY 56 N -0.64 -0.32 2.82 0.44 0.00 -0.85 -5.07 105.19 101.57 2jxw n GLY 56 Ca -0.02 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2jxw n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jxw s PHE 57 N -3.04 1.48 -0.23 1.61 0.08 -0.56 -4.97 117.98 112.35 2jxw s PHE 57 Ca 0.05 -1.08 -0.28 0.00 0.12 0.00 0.00 56.93 55.74 2jxw s PHE 57 Cb -0.01 -1.21 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 2jxw s PHE 57 CO 0.24 -0.63 0.97 0.99 -0.10 0.00 0.00 175.22 176.69 2jxw s THR 58 N 1.71 4.73 0.04 0.64 2.01 -1.26 -0.49 115.64 123.01 2jxw s THR 58 Ca -0.01 1.89 0.05 0.00 0.31 0.00 0.00 61.69 63.93 2jxw s THR 58 Cb -0.17 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 2jxw s THR 58 CO -0.07 -0.14 -0.10 -0.72 -0.69 0.00 0.00 174.62 172.90 2jxw s TYR 59 N 3.02 2.76 0.01 4.92 1.13 -0.24 -4.65 117.35 124.30 2jxw s TYR 59 Ca 0.42 -0.13 0.08 0.00 -1.41 0.00 0.00 57.07 56.03 2jxw s TYR 59 Cb -0.15 -1.53 -0.02 0.00 -1.10 0.00 0.00 41.96 39.16 2jxw s TYR 59 CO 0.07 0.35 -0.26 0.71 -2.51 0.00 0.00 175.55 173.92 2jxw s TYR 60 N -1.03 2.28 0.08 -3.49 2.02 0.36 0.51 117.35 118.08 2jxw s TYR 60 Ca 0.18 -0.42 0.07 0.00 -0.37 0.00 0.00 57.07 56.52 2jxw s TYR 60 Cb -0.11 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 2jxw s TYR 60 CO 0.08 0.03 -0.18 -0.47 -1.57 0.00 0.00 175.55 173.44 2jxw s TYR 61 N -0.69 1.56 -0.10 2.71 5.04 -1.00 0.90 117.35 125.77 2jxw s TYR 61 Ca 0.10 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.34 2jxw s TYR 61 Cb -0.10 -0.88 -0.01 0.00 0.35 0.00 0.00 41.96 41.32 2jxw s TYR 61 CO 0.00 0.13 -0.16 1.21 -1.34 0.00 0.00 175.55 175.39 2jxw s ASN 62 N -1.67 3.79 0.12 4.32 2.47 -1.14 -1.41 114.94 121.41 2jxw s ASN 62 Ca 0.04 -0.36 0.08 0.00 0.42 0.00 0.00 52.86 53.04 2jxw s ASN 62 Cb -0.10 -1.37 -0.20 0.00 -1.45 0.00 0.00 41.25 38.14 2jxw s ASN 62 CO 0.03 0.21 1.25 0.71 -3.72 0.00 0.00 177.10 175.57 2jxw h THR 63 N 5.22 1.62 0.50 -5.21 1.35 -1.92 -0.72 112.91 113.74 2jxw h THR 63 Ca -0.29 -3.32 -0.02 0.00 -0.55 0.00 0.00 66.41 62.23 2jxw h THR 63 Cb 1.20 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 2jxw h THR 63 CO 0.53 0.92 -0.26 -0.08 -0.25 0.00 0.00 175.52 176.37 2jxw h GLU 64 N 0.00 -0.67 0.11 4.72 4.81 -1.95 -3.31 114.58 118.28 2jxw h GLU 64 Ca -0.03 0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 58.96 2jxw h GLU 64 Cb 1.77 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 2jxw h GLU 64 CO 0.12 -0.45 -1.40 0.00 -0.73 0.00 0.00 179.01 176.56 2jxw h THR 65 N -0.70 1.30 -1.43 0.32 1.03 -1.99 -3.49 112.91 107.95 2jxw h THR 65 Ca -0.07 -2.93 0.00 0.00 -0.01 0.00 0.00 66.41 63.40 2jxw h THR 65 Cb 0.55 2.82 0.00 0.00 -1.07 0.00 0.00 68.15 70.44 2jxw h THR 65 CO 0.09 0.84 0.00 0.61 -0.01 0.00 0.00 175.52 177.06 2jxw n GLY 66 N 1.59 0.60 2.99 2.99 0.00 -0.28 -5.09 105.19 107.98 2jxw n GLY 66 Ca -0.12 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 2jxw n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jxw s GLU 67 N -3.47 0.78 0.29 1.61 2.12 -1.20 -4.97 118.70 113.87 2jxw s GLU 67 Ca 0.00 -0.26 -0.26 0.00 0.36 0.00 0.00 54.97 54.81 2jxw s GLU 67 Cb 0.00 -0.75 -0.09 0.00 0.26 0.00 0.00 34.13 33.54 2jxw s GLU 67 CO 0.00 0.11 0.91 -1.54 -0.54 0.00 0.00 175.26 174.20 2jxw s SER 68 N 0.12 7.36 0.11 -1.70 1.04 -1.26 -2.90 113.70 116.46 2jxw s SER 68 Ca -0.01 1.80 0.03 0.00 0.48 0.00 0.00 55.95 58.25 2jxw s SER 68 Cb -0.07 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 2jxw s SER 68 CO 0.00 -0.01 -0.09 -0.60 0.98 0.00 0.00 173.24 173.52 2jxw s ARG 69 N -1.87 0.89 -0.28 4.02 3.52 0.26 -4.99 118.95 120.50 2jxw s ARG 69 Ca 0.47 -1.27 0.12 0.00 -0.13 0.00 0.00 55.73 54.92 2jxw s ARG 69 Cb -0.20 -0.47 0.48 0.00 -1.56 0.00 0.00 34.95 33.20 2jxw s ARG 69 CO 0.25 0.05 1.16 0.91 -0.81 0.00 0.00 175.30 176.87 2jxw n TRP 70 N 0.22 2.23 -3.77 5.12 7.02 -1.26 -0.49 117.44 126.51 2jxw n TRP 70 Ca -0.14 -2.18 -0.13 0.00 -1.02 0.00 0.00 57.50 54.04 2jxw n TRP 70 Cb 0.59 -0.30 -0.12 0.00 -2.42 0.00 0.00 31.31 29.06 2jxw n TRP 70 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jxw s GLU 71 N -3.64 0.28 -0.23 -0.99 0.41 -1.26 -4.98 118.70 108.29 2jxw s GLU 71 Ca 0.43 0.39 -0.29 0.00 -0.41 0.00 0.00 54.97 55.09 2jxw s GLU 71 Cb 0.38 0.09 -0.01 0.00 -1.78 0.00 0.00 34.13 32.81 2jxw s GLU 71 CO 0.01 -0.06 1.41 0.15 -0.49 0.00 0.00 175.26 176.29 2jxw s LYS 72 N 0.35 3.97 -0.67 1.61 1.02 -1.26 -4.81 119.74 119.95 2jxw s LYS 72 Ca -0.02 1.54 -0.29 0.00 0.02 0.00 0.00 55.97 57.23 2jxw s LYS 72 Cb -0.03 -3.91 -0.13 0.00 -0.52 0.00 0.00 37.83 33.24 2jxw s LYS 72 CO -0.01 -1.06 2.51 -2.30 -0.92 0.00 0.00 175.35 173.57 2jxw n PRO 73 N 7.24 0.66 -1.70 -1.68 -0.02 -1.26 -4.93 135.00 133.31 2jxw n PRO 73 Ca 0.16 0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.36 2jxw n PRO 73 Cb 0.45 -2.65 0.09 0.00 -0.02 0.00 0.00 33.50 31.37 2jxw n PRO 73 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jxw s ASP 74 N 10.68 4.57 0.00 2.55 -1.08 -1.26 -5.15 116.67 126.98 2jxw s ASP 74 Ca 1.13 1.11 0.00 0.00 -0.52 0.00 0.00 52.55 54.27 2jxw s ASP 74 Cb -0.63 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 2jxw s ASP 74 CO 0.36 -1.89 0.00 0.47 0.52 0.00 0.00 175.17 174.63