#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 4.43 -0.42 -0.67 0.04 -1.26 -5.01 135.00 132.12 2jxw s PRO 2 Ca 0.00 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.10 2jxw s PRO 2 Cb 0.00 -3.21 0.18 0.00 0.04 0.00 0.00 34.50 31.51 2jxw s PRO 2 CO 0.00 -0.18 0.60 0.45 0.04 0.00 0.00 177.00 177.91 2jxw s SER 3 N 0.21 -1.09 -0.80 6.66 0.15 -1.26 -5.10 113.70 112.47 2jxw s SER 3 Ca 0.55 -1.08 -0.23 0.00 0.70 0.00 0.00 55.95 55.88 2jxw s SER 3 Cb -0.35 1.72 0.07 0.00 -1.71 0.00 0.00 66.02 65.74 2jxw s SER 3 CO 0.38 -0.16 1.17 -1.59 1.20 0.00 0.00 173.24 174.24 2jxw s LYS 4 N 1.61 3.31 -0.32 5.44 0.00 -1.26 -4.99 119.74 123.53 2jxw s LYS 4 Ca 0.19 -0.88 -0.29 0.00 0.00 0.00 0.00 55.97 54.99 2jxw s LYS 4 Cb -0.05 -4.55 -0.00 0.00 0.00 0.00 0.00 37.83 33.23 2jxw s LYS 4 CO -0.06 -1.98 1.41 0.20 0.00 0.00 0.00 175.35 174.91 2jxw s GLY 5 N 3.94 1.25 -0.65 0.59 0.00 -1.26 -4.97 107.32 106.22 2jxw s GLY 5 Ca 0.32 0.10 -0.13 0.00 0.00 0.00 0.00 44.72 45.01 2jxw s GLY 5 CO 0.04 2.74 0.58 0.50 0.00 0.00 0.00 173.10 176.96 2jxw s ARG 6 N 4.53 3.13 0.04 2.90 0.52 -1.26 -5.05 118.95 123.76 2jxw s ARG 6 Ca 0.61 -2.07 0.08 0.00 -0.52 0.00 0.00 55.73 53.83 2jxw s ARG 6 Cb -0.17 -4.26 -0.03 0.00 0.52 0.00 0.00 34.95 31.01 2jxw s ARG 6 CO 0.27 -1.28 -0.22 -1.58 0.02 0.00 0.00 175.30 172.51 2jxw s TRP 7 N 0.89 1.90 -0.07 -0.53 0.52 -1.26 -3.64 118.94 116.75 2jxw s TRP 7 Ca 0.10 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.86 2jxw s TRP 7 Cb -0.21 -1.14 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 2jxw s TRP 7 CO -0.03 0.10 -0.11 0.54 0.02 0.00 0.00 176.95 177.47 2jxw s VAL 8 N -0.80 3.31 -0.09 4.03 0.11 -0.73 -4.92 120.40 121.31 2jxw s VAL 8 Ca 0.08 -0.62 -0.20 0.00 -2.93 0.00 0.00 61.98 58.32 2jxw s VAL 8 Cb -0.09 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 2jxw s VAL 8 CO 0.02 0.58 0.54 -0.70 -3.33 0.00 0.00 175.10 172.21 2jxw s GLU 9 N -0.54 4.35 0.04 1.54 2.12 -1.26 -2.35 118.70 122.59 2jxw s GLU 9 Ca 0.08 0.59 0.03 0.00 0.36 0.00 0.00 54.97 56.02 2jxw s GLU 9 Cb -0.12 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 2jxw s GLU 9 CO 0.02 0.18 -0.08 0.20 -0.54 0.00 0.00 175.26 175.04 2jxw s GLY 10 N 0.49 0.52 0.05 -1.50 0.00 0.12 -5.01 107.32 101.99 2jxw s GLY 10 Ca 0.29 -0.72 -0.09 0.00 0.00 0.00 0.00 44.72 44.20 2jxw s GLY 10 CO 0.13 -0.75 0.35 -0.42 0.00 0.00 0.00 173.10 172.41 2jxw s ILE 11 N -1.18 5.17 0.21 0.90 -1.09 -1.26 -1.11 121.20 122.83 2jxw s ILE 11 Ca -0.07 0.38 0.06 0.00 -2.23 0.00 0.00 60.65 58.79 2jxw s ILE 11 Cb -0.09 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2jxw s ILE 11 CO 0.01 0.34 -0.09 0.42 -1.23 0.00 0.00 174.94 174.38 2jxw s THR 12 N -1.34 1.48 0.66 2.92 -4.23 -0.48 -4.93 115.64 109.72 2jxw s THR 12 Ca 0.30 -2.13 -0.17 0.00 -1.18 0.00 0.00 61.69 58.51 2jxw s THR 12 Cb -0.14 -2.15 -0.10 0.00 1.34 0.00 0.00 72.50 71.45 2jxw s THR 12 CO 0.17 -0.51 0.10 -1.20 -0.54 0.00 0.00 174.62 172.63 2jxw n SER 13 N -0.40 -2.77 0.00 3.99 7.64 -1.26 -2.47 113.62 118.36 2jxw n SER 13 Ca -0.07 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2jxw n SER 13 Cb 0.62 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2jxw n SER 13 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jxw n GLU 14 N 0.65 0.00 0.00 1.43 -0.58 -1.26 -3.82 120.64 117.06 2jxw n GLU 14 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2jxw n GLU 14 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 2jxw n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jxw n GLY 15 N 0.00 -0.07 3.51 0.62 0.00 -1.03 -5.17 105.19 103.04 2jxw n GLY 15 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 2.55 -0.27 1.61 2.02 -1.18 -4.98 117.35 117.11 2jxw s TYR 16 Ca 0.00 -0.25 -0.06 0.00 -0.37 0.00 0.00 57.07 56.38 2jxw s TYR 16 Cb 0.00 -1.32 -0.00 0.00 -0.40 0.00 0.00 41.96 40.23 2jxw s TYR 16 CO 0.00 0.43 0.05 -1.01 -1.57 0.00 0.00 175.55 173.45 2jxw s HIS 17 N -1.31 3.10 0.12 2.71 3.76 -1.26 -1.39 115.29 121.02 2jxw s HIS 17 Ca 0.20 -0.84 0.06 0.00 -0.15 0.00 0.00 55.06 54.33 2jxw s HIS 17 Cb -0.10 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2jxw s HIS 17 CO 0.11 -0.52 -0.03 1.52 -0.85 0.00 0.00 174.74 174.97 2jxw s TYR 18 N 1.52 2.87 0.10 1.40 1.13 -0.27 -4.79 117.35 119.31 2jxw s TYR 18 Ca 0.04 -0.10 0.09 0.00 -1.41 0.00 0.00 57.07 55.68 2jxw s TYR 18 Cb -0.16 -1.45 -0.03 0.00 -1.10 0.00 0.00 41.96 39.21 2jxw s TYR 18 CO 0.02 0.48 -0.22 0.71 -2.51 0.00 0.00 175.55 174.02 2jxw s TYR 19 N -1.41 1.88 0.01 -3.49 2.02 0.06 -0.71 117.35 115.72 2jxw s TYR 19 Ca 0.25 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.58 2jxw s TYR 19 Cb -0.11 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2jxw s TYR 19 CO 0.17 0.22 -0.12 -0.47 -1.57 0.00 0.00 175.55 173.77 2jxw s TYR 20 N -1.10 1.08 -0.20 2.71 6.14 -0.99 0.85 117.35 125.83 2jxw s TYR 20 Ca 0.08 -0.26 -0.04 0.00 0.64 0.00 0.00 57.07 57.49 2jxw s TYR 20 Cb -0.10 -0.67 -0.01 0.00 0.42 0.00 0.00 41.96 41.59 2jxw s TYR 20 CO 0.04 -0.00 -0.05 0.34 0.64 0.00 0.00 175.55 176.52 2jxw s ASP 21 N -0.61 4.42 0.09 4.32 2.15 -0.50 -1.78 116.67 124.77 2jxw s ASP 21 Ca 0.03 -0.31 0.07 0.00 0.43 0.00 0.00 52.55 52.77 2jxw s ASP 21 Cb -0.06 -1.74 -0.22 0.00 -0.30 0.00 0.00 42.92 40.60 2jxw s ASP 21 CO 0.00 0.04 1.18 0.17 -0.17 0.00 0.00 175.17 176.39 2jxw h LEU 22 N 7.63 0.03 -0.47 -1.34 -0.00 -1.89 0.35 115.31 119.62 2jxw h LEU 22 Ca -0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2jxw h LEU 22 Cb 1.18 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 2jxw h LEU 22 CO 0.60 1.02 0.31 0.40 -0.00 0.00 0.00 178.44 180.77 2jxw h ILE 23 N 0.00 1.13 0.01 0.15 2.04 -1.94 -3.28 117.51 115.61 2jxw h ILE 23 Ca -0.06 -0.25 -0.38 0.00 1.00 0.00 0.00 64.86 65.18 2jxw h ILE 23 Cb 1.82 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.28 2jxw h ILE 23 CO 0.13 0.12 -2.37 -0.24 0.00 0.00 0.00 178.15 175.79 2jxw n SER 24 N -4.75 1.16 -1.05 1.72 2.88 -1.25 -5.06 113.62 107.28 2jxw n SER 24 Ca 0.02 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2jxw n SER 24 Cb 0.03 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2jxw n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jxw n GLY 25 N 2.01 0.84 3.31 0.46 0.00 0.12 -5.09 105.19 106.84 2jxw n GLY 25 Ca -0.39 -0.44 -0.12 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 -2.70 -0.93 -0.01 4.61 0.00 -1.03 -4.99 121.76 116.71 2jxw s ALA 26 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 2jxw s ALA 26 Cb 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 2jxw s ALA 26 CO 0.00 -0.48 0.26 0.45 0.00 0.00 0.00 175.76 175.99 2jxw s SER 27 N -2.14 6.50 0.23 0.00 0.15 -1.26 -1.40 113.70 115.77 2jxw s SER 27 Ca -0.04 0.57 0.01 0.00 0.70 0.00 0.00 55.95 57.19 2jxw s SER 27 Cb -0.00 -2.10 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 2jxw s SER 27 CO -0.04 0.28 0.08 -1.58 1.20 0.00 0.00 173.24 173.19 2jxw s GLN 28 N -1.59 1.29 0.00 5.44 0.74 0.25 -4.99 119.66 120.80 2jxw s GLN 28 Ca 0.25 -1.68 0.00 0.00 0.05 0.00 0.00 55.36 53.98 2jxw s GLN 28 Cb -0.13 -0.15 0.00 0.00 1.10 0.00 0.00 33.01 33.82 2jxw s GLN 28 CO 0.14 -0.28 0.00 0.91 -0.55 0.00 0.00 175.29 175.51 2jxw n TRP 29 N -0.37 0.00 -2.73 1.67 7.02 -1.26 -0.76 117.44 121.01 2jxw n TRP 29 Ca -0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.06 2jxw n TRP 29 Cb 0.65 0.08 -0.05 0.00 -2.42 0.00 0.00 31.31 29.58 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 -1.81 4.71 0.45 -0.99 0.41 -1.26 -4.76 118.70 115.45 2jxw s GLU 30 Ca 0.00 1.45 -0.25 0.00 -0.41 0.00 0.00 54.97 55.76 2jxw s GLU 30 Cb 0.00 -3.37 -0.08 0.00 -1.78 0.00 0.00 34.13 28.90 2jxw s GLU 30 CO 0.00 0.25 1.41 0.21 -0.49 0.00 0.00 175.26 176.64 2jxw s LYS 31 N -0.13 3.69 -0.14 1.61 2.20 -1.26 -4.90 119.74 120.80 2jxw s LYS 31 Ca 0.46 2.39 0.01 0.00 -0.36 0.00 0.00 55.97 58.47 2jxw s LYS 31 Cb -0.24 -2.65 0.19 0.00 -1.51 0.00 0.00 37.83 33.62 2jxw s LYS 31 CO 0.30 -0.80 1.40 -0.35 -0.36 0.00 0.00 175.35 175.53 2jxw n PRO 32 N -0.20 1.39 -2.30 4.03 -0.04 -1.26 -4.82 135.00 131.81 2jxw n PRO 32 Ca 0.05 -0.91 -0.13 0.00 -0.04 0.00 0.00 63.50 62.47 2jxw n PRO 32 Cb 0.42 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2jxw n PRO 32 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jxw n GLU 33 N 0.14 -2.08 -2.40 0.54 4.71 -1.26 -4.74 120.64 115.54 2jxw n GLU 33 Ca 0.18 0.64 -0.02 0.00 -0.01 0.00 0.00 57.16 57.95 2jxw n GLU 33 Cb 0.80 -5.19 0.10 0.00 -1.01 0.00 0.00 31.44 26.14 2jxw n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jxw n GLY 34 N -0.74 1.42 0.80 0.62 0.00 -1.26 -4.99 105.19 101.03 2jxw n GLY 34 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2jxw n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jxw n PHE 35 N -1.22 0.00 -4.07 1.61 7.35 -1.26 -4.95 117.46 114.92 2jxw n PHE 35 Ca -0.14 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.20 2jxw n PHE 35 Cb 0.80 0.01 -0.11 0.00 0.35 0.00 0.00 39.48 40.53 2jxw n PHE 35 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2jxw s GLN 36 N -1.99 3.83 -0.12 -4.13 -1.52 -1.26 -5.09 119.66 109.38 2jxw s GLN 36 Ca 0.00 -0.42 -0.26 0.00 -1.95 0.00 0.00 55.36 52.73 2jxw s GLN 36 Cb 0.00 -3.16 0.06 0.00 -0.22 0.00 0.00 33.01 29.70 2jxw s GLN 36 CO 0.00 0.18 0.64 0.20 -0.25 0.00 0.00 175.29 176.06 2jxw s GLY 37 N 0.60 -0.51 -0.29 3.09 0.00 -1.26 -5.08 107.32 103.88 2jxw s GLY 37 Ca 0.02 1.43 -0.05 0.00 0.00 0.00 0.00 44.72 46.12 2jxw s GLY 37 CO 0.02 1.12 0.04 -0.35 0.00 0.00 0.00 173.10 173.92 2jxw s ASP 38 N -0.63 4.92 0.63 1.64 2.15 -1.26 -5.10 116.67 119.01 2jxw s ASP 38 Ca -0.07 -0.91 0.03 0.00 0.43 0.00 0.00 52.55 52.02 2jxw s ASP 38 Cb -0.02 -1.80 0.09 0.00 -0.30 0.00 0.00 42.92 40.89 2jxw s ASP 38 CO 0.06 -0.21 0.87 -0.76 -0.17 0.00 0.00 175.17 174.96 2jxw s LEU 39 N 1.40 3.12 -0.54 -1.34 1.43 -1.26 -5.01 118.68 116.48 2jxw s LEU 39 Ca -0.00 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2jxw s LEU 39 Cb -0.18 -2.14 0.54 0.00 0.03 0.00 0.00 46.19 44.44 2jxw s LEU 39 CO 0.00 -1.51 1.96 1.17 0.23 0.00 0.00 176.35 178.20 2jxw n LYS 40 N -2.53 2.41 -4.06 1.70 4.81 -1.26 -4.93 118.16 114.30 2jxw n LYS 40 Ca 0.13 -3.03 -0.10 0.00 -0.87 0.00 0.00 58.31 54.44 2jxw n LYS 40 Cb 0.60 -2.19 -0.11 0.00 0.02 0.00 0.00 35.03 33.36 2jxw n LYS 40 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2jxw s LYS 41 N -3.42 0.53 -0.07 1.64 1.02 -1.26 -5.14 119.74 113.04 2jxw s LYS 41 Ca 0.59 -0.89 -0.27 0.00 0.02 0.00 0.00 55.97 55.41 2jxw s LYS 41 Cb 0.48 -0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.69 2jxw s LYS 41 CO 0.05 -0.02 0.89 0.99 -0.92 0.00 0.00 175.35 176.34 2jxw s THR 42 N -2.23 4.89 -0.02 2.17 2.01 -1.26 -5.05 115.64 116.15 2jxw s THR 42 Ca -0.05 1.83 -0.11 0.00 0.31 0.00 0.00 61.69 63.67 2jxw s THR 42 Cb -0.04 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2jxw s THR 42 CO -0.03 0.12 0.32 0.00 -0.69 0.00 0.00 174.62 174.34 2jxw s ALA 43 N 1.42 3.77 0.17 7.40 0.00 -1.26 -5.09 121.76 128.17 2jxw s ALA 43 Ca 0.45 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 2jxw s ALA 43 Cb -0.19 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.65 2jxw s ALA 43 CO 0.20 0.55 0.59 0.54 0.00 0.00 0.00 175.76 177.65 2jxw s VAL 44 N -1.14 4.80 -0.53 0.00 0.11 -1.26 -4.99 120.40 117.39 2jxw s VAL 44 Ca 0.23 0.90 0.00 0.00 -2.93 0.00 0.00 61.98 60.19 2jxw s VAL 44 Cb -0.15 -3.75 0.49 0.00 -1.53 0.00 0.00 36.38 31.44 2jxw s VAL 44 CO 0.12 0.21 1.96 0.29 -3.33 0.00 0.00 175.10 174.34 2jxw n LYS 45 N 0.70 2.38 -2.78 1.54 5.02 -1.26 -4.93 118.16 118.83 2jxw n LYS 45 Ca -0.04 -2.88 -0.04 0.00 -2.02 0.00 0.00 58.31 53.33 2jxw n LYS 45 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 2jxw n LYS 45 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2jxw n THR 46 N -0.81-11.61 -1.27 -0.18 -1.04 -1.26 -4.91 114.28 93.20 2jxw n THR 46 Ca 0.56 1.45 -0.32 0.00 -2.04 0.00 0.00 64.05 63.70 2jxw n THR 46 Cb 1.01 -7.07 0.07 0.00 -1.82 0.00 0.00 70.33 62.52 2jxw n THR 46 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jxw n VAL 47 N 0.29 3.49 -4.61 12.58 0.31 -1.26 -4.92 118.33 124.19 2jxw n VAL 47 Ca 0.05 -2.74 -0.24 0.00 -0.01 0.00 0.00 64.34 61.39 2jxw n VAL 47 Cb 0.20 -1.20 -0.14 0.00 -0.91 0.00 0.00 33.84 31.79 2jxw n VAL 47 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 2jxw s TRP 48 N -3.47 1.64 0.13 3.52 0.52 -1.26 -4.02 118.94 116.00 2jxw s TRP 48 Ca 0.59 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 56.37 2jxw s TRP 48 Cb 0.46 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.75 2jxw s TRP 48 CO -0.02 0.06 0.25 0.08 0.02 0.00 0.00 176.95 177.33 2jxw s VAL 49 N -0.74 5.21 -0.23 4.03 1.01 -0.27 -4.90 120.40 124.52 2jxw s VAL 49 Ca 0.06 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2jxw s VAL 49 Cb -0.08 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2jxw s VAL 49 CO 0.01 -0.04 0.05 -0.70 0.00 0.00 0.00 175.10 174.42 2jxw s GLU 50 N -3.05 3.69 0.25 2.72 2.12 -1.26 -2.43 118.70 120.73 2jxw s GLU 50 Ca 0.34 -0.47 0.11 0.00 0.36 0.00 0.00 54.97 55.31 2jxw s GLU 50 Cb -0.11 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 2jxw s GLU 50 CO 0.28 -0.09 -0.18 0.20 -0.54 0.00 0.00 175.26 174.92 2jxw s GLY 51 N 1.33 1.80 -0.19 -1.50 0.00 0.18 -4.98 107.32 103.95 2jxw s GLY 51 Ca 0.05 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 42.98 2jxw s GLY 51 CO 0.03 -1.82 -0.06 -2.27 0.00 0.00 0.00 173.10 168.98 2jxw s LEU 52 N -3.23 2.91 0.14 0.66 2.96 -1.26 -1.49 118.68 119.37 2jxw s LEU 52 Ca 0.27 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 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 0.14 0.05 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.57 2jxw s SER 53 N 1.07 4.34 0.76 3.68 0.15 0.46 -4.96 113.70 119.20 2jxw s SER 53 Ca 0.01 -0.48 -0.16 0.00 0.70 0.00 0.00 55.95 56.02 2jxw s SER 53 Cb -0.15 -0.79 -0.08 0.00 -1.71 0.00 0.00 66.02 63.30 2jxw s SER 53 CO -0.01 0.14 0.11 1.21 1.20 0.00 0.00 173.24 175.89 2jxw n GLU 54 N 0.35 0.11 -0.99 5.44 2.13 -1.26 -1.38 120.64 125.05 2jxw n GLU 54 Ca -0.12 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2jxw n GLU 54 Cb 0.54 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.75 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 0.93 -4.64 -1.77 4.31 8.00 -1.26 -3.52 116.55 118.60 2jxw n ASP 55 Ca 0.07 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.54 2jxw n ASP 55 Cb 0.51 -2.30 0.01 0.00 -0.02 0.00 0.00 41.12 39.33 2jxw n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jxw n GLY 56 N -0.62 0.51 2.99 0.44 0.00 -0.91 -5.06 105.19 102.54 2jxw n GLY 56 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.07 2.70 -0.22 1.61 0.08 -0.48 -4.97 117.98 113.63 2jxw s PHE 57 Ca 0.07 -1.94 -0.28 0.00 0.12 0.00 0.00 56.93 54.91 2jxw s PHE 57 Cb -0.01 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 2jxw s PHE 57 CO 0.13 -0.81 0.98 0.99 -0.10 0.00 0.00 175.22 176.41 2jxw s THR 58 N 1.29 4.73 0.04 0.64 2.01 -1.26 -0.41 115.64 122.68 2jxw s THR 58 Ca -0.06 1.90 0.05 0.00 0.31 0.00 0.00 61.69 63.89 2jxw s THR 58 Cb -0.19 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 2jxw s THR 58 CO -0.06 -0.14 -0.10 -0.72 -0.69 0.00 0.00 174.62 172.92 2jxw s TYR 59 N 3.01 2.78 0.01 4.92 1.13 -0.55 -4.83 117.35 123.82 2jxw s TYR 59 Ca 0.42 -0.12 0.09 0.00 -1.41 0.00 0.00 57.07 56.05 2jxw s TYR 59 Cb -0.15 -1.53 -0.02 0.00 -1.10 0.00 0.00 41.96 39.15 2jxw s TYR 59 CO 0.07 0.36 -0.26 0.71 -2.51 0.00 0.00 175.55 173.92 2jxw s TYR 60 N -1.03 2.31 0.11 -3.49 2.02 -0.40 0.47 117.35 117.34 2jxw s TYR 60 Ca 0.18 -0.43 0.10 0.00 -0.37 0.00 0.00 57.07 56.55 2jxw s TYR 60 Cb -0.11 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 2jxw s TYR 60 CO 0.09 0.04 -0.25 -0.47 -1.57 0.00 0.00 175.55 173.39 2jxw s TYR 61 N -0.70 2.12 -0.10 2.71 5.04 -1.02 0.87 117.35 126.28 2jxw s TYR 61 Ca 0.11 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.37 2jxw s TYR 61 Cb -0.10 -1.16 -0.01 0.00 0.35 0.00 0.00 41.96 41.04 2jxw s TYR 61 CO 0.00 0.27 -0.20 1.21 -1.34 0.00 0.00 175.55 175.50 2jxw s ASN 62 N -1.92 3.48 0.25 4.32 3.84 -1.20 -1.11 114.94 122.60 2jxw s ASN 62 Ca 0.11 -0.44 0.13 0.00 0.21 0.00 0.00 52.86 52.87 2jxw s ASN 62 Cb -0.10 -1.33 0.08 0.00 -0.55 0.00 0.00 41.25 39.35 2jxw s ASN 62 CO 0.05 0.19 1.44 0.71 -2.79 0.00 0.00 177.10 176.70 2jxw h THR 63 N 5.37 1.11 0.52 -5.21 1.35 -1.93 -1.04 112.91 113.08 2jxw h THR 63 Ca -0.26 -2.45 -0.02 0.00 -0.55 0.00 0.00 66.41 63.12 2jxw h THR 63 Cb 1.21 2.47 -0.00 0.00 -1.73 0.00 0.00 68.15 70.10 2jxw h THR 63 CO 0.50 0.61 -0.33 -0.08 -0.25 0.00 0.00 175.52 175.97 2jxw h GLU 64 N 0.00 -0.78 0.06 4.72 4.81 -1.95 -3.36 114.58 118.09 2jxw h GLU 64 Ca -0.01 0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 59.02 2jxw h GLU 64 Cb 1.42 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 2jxw h GLU 64 CO 0.08 -0.52 -1.37 1.79 -0.73 0.00 0.00 179.01 178.27 2jxw h THR 65 N -0.80 0.95 -0.22 0.32 1.35 -1.99 -3.49 112.91 109.01 2jxw h THR 65 Ca -0.07 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 2jxw h THR 65 Cb 0.65 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 2jxw h THR 65 CO 0.06 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 2jxw n GLY 66 N 1.65 0.63 2.99 5.82 0.00 -0.39 -5.10 105.19 110.79 2jxw n GLY 66 Ca -0.28 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 0.07 0.45 0.46 1.61 2.12 -1.24 -4.98 118.70 117.20 2jxw s GLU 67 Ca 0.00 -0.39 -0.21 0.00 0.36 0.00 0.00 54.97 54.72 2jxw s GLU 67 Cb 0.00 -0.36 -0.08 0.00 0.26 0.00 0.00 34.13 33.95 2jxw s GLU 67 CO 0.00 0.09 1.05 -1.54 -0.54 0.00 0.00 175.26 174.32 2jxw s SER 68 N -0.66 6.41 0.09 -1.70 1.04 -1.26 -3.23 113.70 114.39 2jxw s SER 68 Ca -0.03 1.99 0.03 0.00 0.48 0.00 0.00 55.95 58.43 2jxw s SER 68 Cb -0.05 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 2jxw s SER 68 CO 0.00 -0.73 -0.09 -0.60 0.98 0.00 0.00 173.24 172.79 2jxw s ARG 69 N -3.02 0.81 -0.17 4.02 6.06 0.25 -4.99 118.95 121.92 2jxw s ARG 69 Ca 0.65 -1.13 0.15 0.00 -2.50 0.00 0.00 55.73 52.89 2jxw s ARG 69 Cb -0.19 -0.47 0.43 0.00 0.06 0.00 0.00 34.95 34.79 2jxw s ARG 69 CO 0.23 0.07 1.20 0.91 -2.50 0.00 0.00 175.30 175.20 2jxw n TRP 70 N 0.59 0.51 -3.67 5.12 7.02 -1.26 -1.27 117.44 124.47 2jxw n TRP 70 Ca -0.16 -1.41 -0.20 0.00 -1.02 0.00 0.00 57.50 54.71 2jxw n TRP 70 Cb 0.58 -0.24 -0.18 0.00 -2.42 0.00 0.00 31.31 29.05 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 -2.53 -0.06 -0.22 -0.99 2.02 -1.26 -5.02 118.70 110.63 2jxw s GLU 71 Ca 0.38 0.37 -0.29 0.00 0.02 0.00 0.00 54.97 55.45 2jxw s GLU 71 Cb 0.38 -0.52 -0.02 0.00 0.10 0.00 0.00 34.13 34.07 2jxw s GLU 71 CO -0.08 -0.33 1.44 0.21 0.02 0.00 0.00 175.26 176.53 2jxw s LYS 72 N 2.16 3.95 -0.44 1.61 2.20 -1.26 -4.94 119.74 123.02 2jxw s LYS 72 Ca 0.05 1.56 -0.28 0.00 -0.36 0.00 0.00 55.97 56.94 2jxw s LYS 72 Cb -0.12 -3.93 -0.02 0.00 -1.51 0.00 0.00 37.83 32.25 2jxw s LYS 72 CO -0.03 -1.08 1.87 -1.25 -0.36 0.00 0.00 175.35 174.50 2jxw s PRO 73 N 4.22 2.99 0.01 4.03 0.04 -1.26 -4.98 135.00 140.05 2jxw s PRO 73 Ca 0.63 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 2jxw s PRO 73 Cb -0.22 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 29.98 2jxw s PRO 73 CO 0.24 -2.27 0.24 0.16 0.04 0.00 0.00 177.00 175.41 2jxw s ASP 74 N 7.29 6.45 0.00 6.66 -4.77 -1.26 -5.14 116.67 125.90 2jxw s ASP 74 Ca 0.77 0.48 0.00 0.00 -3.30 0.00 0.00 52.55 50.50 2jxw s ASP 74 Cb -0.19 -2.06 0.00 0.00 -1.09 0.00 0.00 42.92 39.59 2jxw s ASP 74 CO 0.29 0.24 0.00 -0.67 0.70 0.00 0.00 175.17 175.73