#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 2.87 0.20 -0.67 0.04 -1.26 -4.51 135.00 131.67 2jxw s PRO 2 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 2jxw s PRO 2 Cb 0.00 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.88 2jxw s PRO 2 CO 0.00 -2.70 0.00 0.45 0.04 0.00 0.00 177.00 174.79 2jxw n SER 3 N 11.76 -0.62 -4.63 6.66 2.88 -1.26 -5.07 113.62 123.35 2jxw n SER 3 Ca 0.24 0.35 -0.43 0.00 -1.33 0.00 0.00 58.87 57.69 2jxw n SER 3 Cb 0.50 0.73 -0.02 0.00 -0.75 0.00 0.00 64.21 64.67 2jxw n SER 3 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2jxw s LYS 4 N -1.58 3.93 0.00 -1.46 2.20 -1.26 -5.02 119.74 116.55 2jxw s LYS 4 Ca 0.00 1.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.63 2jxw s LYS 4 Cb 0.00 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 2jxw s LYS 4 CO 0.00 -1.09 0.01 0.20 -0.36 0.00 0.00 175.35 174.11 2jxw s GLY 5 N 2.23 1.90 -0.48 5.54 0.00 -1.26 -5.08 107.32 110.17 2jxw s GLY 5 Ca 0.50 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 44.30 2jxw s GLY 5 CO 0.22 -0.81 0.25 0.50 0.00 0.00 0.00 173.10 173.25 2jxw s ARG 6 N -1.61 1.64 0.05 2.90 0.52 -1.26 -5.04 118.95 116.15 2jxw s ARG 6 Ca 0.20 -2.32 0.04 0.00 -0.52 0.00 0.00 55.73 53.14 2jxw s ARG 6 Cb -0.12 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2jxw s ARG 6 CO 0.11 -1.13 -0.05 -1.58 0.02 0.00 0.00 175.30 172.67 2jxw s TRP 7 N 0.03 2.90 -0.06 -0.53 0.52 -1.26 -3.34 118.94 117.20 2jxw s TRP 7 Ca 0.17 -0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.27 2jxw s TRP 7 Cb -0.25 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 2jxw s TRP 7 CO 0.00 0.42 -0.12 0.54 0.02 0.00 0.00 176.95 177.82 2jxw s VAL 8 N -1.15 3.26 -0.09 4.03 0.11 -0.15 -4.90 120.40 121.51 2jxw s VAL 8 Ca 0.21 -0.64 -0.20 0.00 -2.93 0.00 0.00 61.98 58.42 2jxw s VAL 8 Cb -0.11 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.39 2jxw s VAL 8 CO 0.12 0.59 0.54 -0.70 -3.33 0.00 0.00 175.10 172.32 2jxw s GLU 9 N -0.65 4.36 0.04 1.54 -6.30 -1.26 -2.29 118.70 114.13 2jxw s GLU 9 Ca 0.10 0.58 0.02 0.00 -2.50 0.00 0.00 54.97 53.17 2jxw s GLU 9 Cb -0.11 -3.43 -0.02 0.00 0.00 0.00 0.00 34.13 30.57 2jxw s GLU 9 CO 0.01 0.16 -0.08 0.20 0.02 0.00 0.00 175.26 175.57 2jxw s GLY 10 N 0.58 0.50 0.05 -1.50 0.00 0.07 -5.01 107.32 102.01 2jxw s GLY 10 Ca 0.29 -0.69 -0.13 0.00 0.00 0.00 0.00 44.72 44.20 2jxw s GLY 10 CO 0.13 -0.71 0.42 -0.42 0.00 0.00 0.00 173.10 172.51 2jxw s ILE 11 N -1.11 5.04 0.26 0.90 -1.09 -1.26 -1.22 121.20 122.71 2jxw s ILE 11 Ca -0.07 0.68 0.08 0.00 -2.23 0.00 0.00 60.65 59.12 2jxw s ILE 11 Cb -0.08 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 2jxw s ILE 11 CO 0.00 0.42 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.13 2jxw s THR 12 N -1.25 1.90 0.62 2.92 2.01 -0.11 -4.93 115.64 116.80 2jxw s THR 12 Ca 0.29 -2.22 -0.17 0.00 0.31 0.00 0.00 61.69 59.89 2jxw s THR 12 Cb -0.15 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.01 2jxw s THR 12 CO 0.16 -0.43 0.54 -0.24 -0.69 0.00 0.00 174.62 173.96 2jxw n SER 13 N -0.53 -1.02 0.00 3.53 2.88 -1.26 -2.59 113.62 114.63 2jxw n SER 13 Ca -0.06 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2jxw n SER 13 Cb 0.62 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2jxw n SER 13 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jxw n GLU 14 N -0.29 0.00 0.00 -1.46 0.00 -1.26 -3.91 120.64 113.72 2jxw n GLU 14 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 2jxw n GLU 14 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.92 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 -0.08 3.40 8.31 0.00 -1.07 -5.17 105.19 110.58 2jxw n GLY 15 Ca 0.00 -0.04 -0.30 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 2.40 -0.29 1.61 2.02 -1.20 -4.98 117.35 116.92 2jxw s TYR 16 Ca 0.00 -0.35 -0.08 0.00 -0.37 0.00 0.00 57.07 56.27 2jxw s TYR 16 Cb 0.00 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 2jxw s TYR 16 CO 0.00 0.23 0.11 -1.01 -1.57 0.00 0.00 175.55 173.30 2jxw s HIS 17 N -0.92 3.14 0.13 2.71 3.76 -1.26 -0.93 115.29 121.92 2jxw s HIS 17 Ca 0.13 -0.59 0.07 0.00 -0.15 0.00 0.00 55.06 54.52 2jxw s HIS 17 Cb -0.10 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 2jxw s HIS 17 CO 0.04 -0.44 -0.03 1.52 -0.85 0.00 0.00 174.74 174.98 2jxw s TYR 18 N 1.59 2.85 0.10 1.40 1.13 -0.35 -4.85 117.35 119.22 2jxw s TYR 18 Ca 0.05 -0.11 0.09 0.00 -1.41 0.00 0.00 57.07 55.68 2jxw s TYR 18 Cb -0.16 -1.44 -0.03 0.00 -1.10 0.00 0.00 41.96 39.22 2jxw s TYR 18 CO 0.05 0.48 -0.22 0.71 -2.51 0.00 0.00 175.55 174.06 2jxw s TYR 19 N -1.45 1.86 0.02 -3.49 2.02 -0.24 -0.75 117.35 115.32 2jxw s TYR 19 Ca 0.25 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 2jxw s TYR 19 Cb -0.11 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2jxw s TYR 19 CO 0.17 0.21 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.82 2jxw s TYR 20 N -1.12 0.65 -0.19 2.71 6.14 -0.97 0.84 117.35 125.41 2jxw s TYR 20 Ca 0.08 -0.27 -0.04 0.00 0.64 0.00 0.00 57.07 57.47 2jxw s TYR 20 Cb -0.10 -0.40 -0.02 0.00 0.42 0.00 0.00 41.96 41.86 2jxw s TYR 20 CO 0.04 -0.03 -0.03 0.34 0.64 0.00 0.00 175.55 176.51 2jxw s ASP 21 N -0.77 4.60 0.09 4.32 2.15 -0.82 -0.97 116.67 125.26 2jxw s ASP 21 Ca -0.02 -0.26 0.03 0.00 0.43 0.00 0.00 52.55 52.72 2jxw s ASP 21 Cb -0.06 -1.78 -0.24 0.00 -0.30 0.00 0.00 42.92 40.55 2jxw s ASP 21 CO 0.00 0.06 1.17 0.17 -0.17 0.00 0.00 175.17 176.41 2jxw h LEU 22 N 7.52 0.17 0.42 -1.34 -0.00 -1.88 0.46 115.31 120.67 2jxw h LEU 22 Ca -0.36 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.88 57.31 2jxw h LEU 22 Cb 1.18 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2jxw h LEU 22 CO 0.60 1.15 -0.24 0.40 -0.00 0.00 0.00 178.44 180.36 2jxw h ILE 23 N 0.03 0.50 0.10 0.15 2.04 -1.95 -3.26 117.51 115.14 2jxw h ILE 23 Ca -0.08 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.47 2jxw h ILE 23 Cb 1.87 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2jxw h ILE 23 CO 0.16 0.00 -1.63 0.77 0.00 0.00 0.00 178.15 177.45 2jxw h SER 24 N -0.62 0.34 -1.88 1.72 4.64 -1.96 -3.49 113.55 112.30 2jxw h SER 24 Ca -0.05 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2jxw h SER 24 Cb 0.50 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2jxw h SER 24 CO 0.06 1.46 0.00 0.61 -0.87 0.00 0.00 176.83 178.09 2jxw n GLY 25 N 1.70 0.64 2.97 -0.77 0.00 0.13 -5.10 105.19 104.77 2jxw n GLY 25 Ca -0.19 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.65 0.02 -0.03 4.61 0.00 -1.06 -5.00 121.76 117.65 2jxw s ALA 26 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 2jxw s ALA 26 Cb 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 2jxw s ALA 26 CO 0.00 -0.12 0.63 -1.54 0.00 0.00 0.00 175.76 174.73 2jxw s SER 27 N -1.01 6.97 0.30 0.00 1.04 -1.26 -1.94 113.70 117.80 2jxw s SER 27 Ca -0.11 1.16 0.06 0.00 0.48 0.00 0.00 55.95 57.53 2jxw s SER 27 Cb -0.07 -2.38 -0.06 0.00 0.10 0.00 0.00 66.02 63.61 2jxw s SER 27 CO -0.00 0.01 -0.01 -1.58 0.98 0.00 0.00 173.24 172.64 2jxw s GLN 28 N 0.23 1.61 0.00 4.02 2.00 0.25 -5.00 119.66 122.77 2jxw s GLN 28 Ca 0.33 -1.85 0.00 0.00 -2.00 0.00 0.00 55.36 51.84 2jxw s GLN 28 Cb -0.18 -1.07 0.00 0.00 0.80 0.00 0.00 33.01 32.56 2jxw s GLN 28 CO 0.17 -0.05 0.00 0.91 -0.50 0.00 0.00 175.29 175.82 2jxw n TRP 29 N -0.64 0.00 -2.19 1.67 7.02 -1.26 -1.08 117.44 120.96 2jxw n TRP 29 Ca -0.04 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.09 2jxw n TRP 29 Cb 0.65 0.07 0.01 0.00 -2.42 0.00 0.00 31.31 29.62 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 -1.77 3.29 -0.51 -0.99 0.41 -1.26 -4.52 118.70 113.34 2jxw s GLU 30 Ca 0.00 1.55 -0.16 0.00 -0.41 0.00 0.00 54.97 55.95 2jxw s GLU 30 Cb 0.00 -2.00 0.10 0.00 -1.78 0.00 0.00 34.13 30.45 2jxw s GLU 30 CO 0.00 -0.89 0.49 0.21 -0.49 0.00 0.00 175.26 174.58 2jxw s LYS 31 N -3.43 3.00 0.76 1.61 2.20 -1.26 -4.86 119.74 117.75 2jxw s LYS 31 Ca 0.71 -1.47 -0.13 0.00 -0.36 0.00 0.00 55.97 54.73 2jxw s LYS 31 Cb -0.23 -4.21 0.19 0.00 -1.51 0.00 0.00 37.83 32.07 2jxw s LYS 31 CO 0.29 -1.22 0.70 -0.35 -0.36 0.00 0.00 175.35 174.41 2jxw n PRO 32 N 5.40 -2.20 -2.91 4.03 -0.04 -1.26 -5.00 135.00 133.02 2jxw n PRO 32 Ca -0.12 -1.12 -0.41 0.00 -0.04 0.00 0.00 63.50 61.81 2jxw n PRO 32 Cb 0.42 -1.01 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 2jxw n PRO 32 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2jxw s GLU 33 N -4.58 4.51 0.00 0.54 2.02 -1.26 -3.99 118.70 115.93 2jxw s GLU 33 Ca 0.45 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.57 2jxw s GLU 33 Cb -0.04 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.76 2jxw s GLU 33 CO 0.34 0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.13 2jxw n GLY 34 N 2.80 1.27 0.51 -1.39 0.00 -1.26 -5.00 105.19 102.12 2jxw n GLY 34 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.50 0.00 -3.83 1.61 7.35 -1.26 -4.92 117.46 114.92 2jxw n PHE 35 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 2jxw n PHE 35 Cb 0.00 -0.52 -0.16 0.00 0.35 0.00 0.00 39.48 39.15 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 -2.33 1.09 0.00 -4.13 -1.52 -1.26 -5.11 119.66 106.40 2jxw s GLN 36 Ca -0.21 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 2jxw s GLN 36 Cb 0.07 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 2jxw s GLN 36 CO 0.27 -0.51 0.00 0.41 -0.25 0.00 0.00 175.29 175.21 2jxw n GLY 37 N 4.94 1.85 2.68 3.09 0.00 -1.26 -5.07 105.19 111.41 2jxw n GLY 37 Ca -0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 2jxw n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jxw n ASP 38 N 0.00 1.63 -2.74 1.61 8.00 -1.26 -4.96 116.55 118.82 2jxw n ASP 38 Ca 0.00 -2.64 -0.05 0.00 0.71 0.00 0.00 54.79 52.81 2jxw n ASP 38 Cb 0.00 -0.52 0.02 0.00 -0.02 0.00 0.00 41.12 40.61 2jxw n ASP 38 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2jxw n LEU 39 N -0.17 -3.04 -1.18 0.64 0.00 -1.26 -5.15 117.00 106.83 2jxw n LEU 39 Ca 0.10 -2.73 0.15 0.00 0.00 0.00 0.00 56.01 53.53 2jxw n LEU 39 Cb 0.81 0.74 -0.06 0.00 0.00 0.00 0.00 43.42 44.91 2jxw n LEU 39 CO 0.24 1.85 -0.41 1.17 0.00 0.00 0.00 177.39 180.24 2jxw n LYS 40 N 2.59 -2.60 -4.55 1.96 4.81 -1.26 -5.03 118.16 114.06 2jxw n LYS 40 Ca 0.15 1.99 -0.27 0.00 -0.87 0.00 0.00 58.31 59.30 2jxw n LYS 40 Cb 0.59 -3.09 -0.08 0.00 0.02 0.00 0.00 35.03 32.47 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 -3.25 1.99 -0.12 1.64 3.01 -1.26 -5.06 119.74 116.70 2jxw s LYS 41 Ca 0.00 -2.23 -0.06 0.00 -1.01 0.00 0.00 55.97 52.67 2jxw s LYS 41 Cb 0.00 -0.72 -0.02 0.00 -1.01 0.00 0.00 37.83 36.08 2jxw s LYS 41 CO 0.00 -0.49 -0.12 1.15 0.51 0.00 0.00 175.35 176.40 2jxw h THR 42 N 1.70 0.00 -4.79 2.17 2.02 -2.00 -3.51 112.91 108.49 2jxw h THR 42 Ca -0.36 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 65.92 2jxw h THR 42 Cb 1.28 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.59 2jxw h THR 42 CO 0.58 0.00 -1.39 0.00 0.37 0.00 0.00 175.52 175.08 2jxw n ALA 43 N -3.30 -3.33 -2.74 6.16 0.00 -1.26 -5.03 120.51 111.01 2jxw n ALA 43 Ca -0.05 1.92 -0.33 0.00 0.00 0.00 0.00 53.44 54.98 2jxw n ALA 43 Cb 0.18 -3.86 -0.13 0.00 0.00 0.00 0.00 19.45 15.64 2jxw n ALA 43 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jxw s VAL 44 N -0.61 3.41 -0.56 0.00 1.01 -1.26 -5.02 120.40 117.37 2jxw s VAL 44 Ca -0.22 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2jxw s VAL 44 Cb 0.01 -2.41 0.55 0.00 0.00 0.00 0.00 36.38 34.54 2jxw s VAL 44 CO 0.58 0.56 1.97 0.29 0.00 0.00 0.00 175.10 178.50 2jxw n LYS 45 N 2.79 2.49 -3.31 2.72 5.02 -1.26 -4.97 118.16 121.64 2jxw n LYS 45 Ca -0.18 -3.17 -0.21 0.00 -2.02 0.00 0.00 58.31 52.73 2jxw n LYS 45 Cb 0.53 -2.23 0.02 0.00 -0.02 0.00 0.00 35.03 33.32 2jxw n LYS 45 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2jxw n THR 46 N -1.02 -4.03 -2.05 -0.18 -2.24 -1.26 -4.94 114.28 98.55 2jxw n THR 46 Ca 0.61 0.38 -0.18 0.00 -2.27 0.00 0.00 64.05 62.58 2jxw n THR 46 Cb 1.13 -3.73 0.04 0.00 -2.10 0.00 0.00 70.33 65.67 2jxw n THR 46 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2jxw n VAL 47 N 0.41 2.36 -4.77 2.28 0.31 -1.26 -5.04 118.33 112.62 2jxw n VAL 47 Ca -0.04 -3.97 -0.27 0.00 -0.01 0.00 0.00 64.34 60.06 2jxw n VAL 47 Cb 0.57 -0.81 -0.15 0.00 -0.91 0.00 0.00 33.84 32.55 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 -3.54 1.93 -0.14 3.52 0.52 -1.26 -4.02 118.94 115.96 2jxw s TRP 48 Ca 0.47 -0.38 -0.04 0.00 0.02 0.00 0.00 56.10 56.17 2jxw s TRP 48 Cb 0.40 -1.17 -0.03 0.00 -1.15 0.00 0.00 33.47 31.51 2jxw s TRP 48 CO 0.02 0.07 0.01 0.08 0.02 0.00 0.00 176.95 177.16 2jxw s VAL 49 N -0.74 4.38 -0.22 4.03 1.01 -0.08 -4.91 120.40 123.86 2jxw s VAL 49 Ca 0.08 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 2jxw s VAL 49 Cb -0.09 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2jxw s VAL 49 CO 0.01 0.53 0.55 -0.70 0.00 0.00 0.00 175.10 175.49 2jxw s GLU 50 N -0.12 4.15 0.26 2.72 2.12 -1.26 -1.99 118.70 124.58 2jxw s GLU 50 Ca 0.05 0.45 0.11 0.00 0.36 0.00 0.00 54.97 55.94 2jxw s GLU 50 Cb -0.13 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 2jxw s GLU 50 CO 0.02 -0.26 -0.18 0.20 -0.54 0.00 0.00 175.26 174.50 2jxw s GLY 51 N 1.32 1.82 -0.10 -1.50 0.00 0.12 -4.99 107.32 103.98 2jxw s GLY 51 Ca 0.24 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 2jxw s GLY 51 CO 0.09 -1.85 -0.05 -2.27 0.00 0.00 0.00 173.10 169.02 2jxw s LEU 52 N -3.32 3.22 0.13 0.66 2.96 -1.26 -1.64 118.68 119.42 2jxw s LEU 52 Ca 0.28 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 54.23 2jxw s LEU 52 Cb -0.06 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2jxw s LEU 52 CO 0.15 0.29 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.70 2jxw s SER 53 N -0.36 2.77 0.77 3.68 0.15 0.18 -4.94 113.70 115.96 2jxw s SER 53 Ca 0.06 -0.76 -0.16 0.00 0.70 0.00 0.00 55.95 55.79 2jxw s SER 53 Cb -0.12 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 2jxw s SER 53 CO 0.02 0.06 0.32 1.21 1.20 0.00 0.00 173.24 176.05 2jxw n GLU 54 N 0.77 0.14 -0.93 5.44 4.07 -1.26 -1.59 120.64 127.27 2jxw n GLU 54 Ca -0.17 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 2jxw n GLU 54 Cb 0.55 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 2jxw n GLU 54 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2jxw n ASP 55 N 0.12 -3.34 -1.60 4.31 9.92 -1.26 -3.75 116.55 120.95 2jxw n ASP 55 Ca 0.08 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.33 2jxw n ASP 55 Cb 0.51 -1.82 0.00 0.00 -0.64 0.00 0.00 41.12 39.17 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 -1.25 0.45 3.03 0.44 0.00 -0.94 -5.09 105.19 101.83 2jxw n GLY 56 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.02 1.60 -0.27 1.61 0.08 -0.62 -4.98 117.98 112.39 2jxw s PHE 57 Ca 0.02 -0.64 -0.12 0.00 0.12 0.00 0.00 56.93 56.30 2jxw s PHE 57 Cb -0.00 -1.18 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 2jxw s PHE 57 CO 0.04 -0.34 0.24 0.99 -0.10 0.00 0.00 175.22 176.06 2jxw s THR 58 N 0.79 5.27 0.04 0.64 2.01 -1.26 0.52 115.64 123.65 2jxw s THR 58 Ca -0.12 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.23 2jxw s THR 58 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2jxw s THR 58 CO 0.02 0.23 -0.11 -0.72 -0.69 0.00 0.00 174.62 173.36 2jxw s TYR 59 N 1.79 2.75 0.01 4.92 1.13 -0.65 -4.78 117.35 122.51 2jxw s TYR 59 Ca 0.10 -0.13 0.08 0.00 -1.41 0.00 0.00 57.07 55.71 2jxw s TYR 59 Cb -0.16 -1.52 -0.02 0.00 -1.10 0.00 0.00 41.96 39.16 2jxw s TYR 59 CO 0.10 0.36 -0.26 0.71 -2.51 0.00 0.00 175.55 173.95 2jxw s TYR 60 N -1.04 2.34 0.06 -3.49 2.02 -0.11 0.12 117.35 117.25 2jxw s TYR 60 Ca 0.18 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 2jxw s TYR 60 Cb -0.11 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2jxw s TYR 60 CO 0.09 0.04 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.47 2jxw s TYR 61 N -0.70 1.45 -0.12 2.71 5.04 -0.84 0.11 117.35 125.00 2jxw s TYR 61 Ca 0.11 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 2jxw s TYR 61 Cb -0.10 -0.83 -0.02 0.00 0.35 0.00 0.00 41.96 41.36 2jxw s TYR 61 CO 0.00 0.09 -0.13 1.21 -1.34 0.00 0.00 175.55 175.38 2jxw s ASN 62 N -1.48 4.01 0.18 4.32 2.47 -1.19 -0.90 114.94 122.35 2jxw s ASN 62 Ca 0.03 -0.32 0.09 0.00 0.42 0.00 0.00 52.86 53.08 2jxw s ASN 62 Cb -0.09 -1.56 -0.04 0.00 -1.45 0.00 0.00 41.25 38.11 2jxw s ASN 62 CO 0.02 0.18 1.38 0.71 -3.72 0.00 0.00 177.10 175.67 2jxw h THR 63 N 5.33 1.51 0.36 -5.21 1.35 -1.93 -0.81 112.91 113.51 2jxw h THR 63 Ca -0.27 -2.95 -0.02 0.00 -0.55 0.00 0.00 66.41 62.62 2jxw h THR 63 Cb 1.21 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 2jxw h THR 63 CO 0.55 0.82 -0.17 -0.08 -0.25 0.00 0.00 175.52 176.39 2jxw h GLU 64 N 0.00 -0.47 0.21 4.72 4.81 -1.95 -3.35 114.58 118.55 2jxw h GLU 64 Ca -0.01 0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.92 2jxw h GLU 64 Cb 1.57 0.11 0.02 0.00 0.63 0.00 0.00 28.75 31.07 2jxw h GLU 64 CO 0.11 -0.31 -1.57 0.00 -0.73 0.00 0.00 179.01 176.51 2jxw h THR 65 N -0.48 1.16 -0.57 0.32 1.03 -1.98 -3.49 112.91 108.90 2jxw h THR 65 Ca -0.05 -2.67 0.00 0.00 -0.01 0.00 0.00 66.41 63.68 2jxw h THR 65 Cb 0.37 2.91 0.00 0.00 -1.07 0.00 0.00 68.15 70.36 2jxw h THR 65 CO 0.08 0.84 0.00 0.61 -0.01 0.00 0.00 175.52 177.04 2jxw n GLY 66 N 1.75 0.95 3.13 2.99 0.00 -0.31 -5.09 105.19 108.61 2jxw n GLY 66 Ca -0.19 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.61 1.94 0.44 1.61 2.12 -1.23 -4.95 118.70 116.01 2jxw s GLU 67 Ca 0.00 -0.62 -0.22 0.00 0.36 0.00 0.00 54.97 54.49 2jxw s GLU 67 Cb 0.00 -1.64 -0.09 0.00 0.26 0.00 0.00 34.13 32.66 2jxw s GLU 67 CO 0.00 0.21 1.02 -1.54 -0.54 0.00 0.00 175.26 174.42 2jxw s SER 68 N 0.15 6.62 0.08 -1.70 1.04 -1.26 -3.20 113.70 115.43 2jxw s SER 68 Ca -0.07 1.92 0.04 0.00 0.48 0.00 0.00 55.95 58.32 2jxw s SER 68 Cb -0.13 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 2jxw s SER 68 CO 0.03 -0.59 -0.10 -0.60 0.98 0.00 0.00 173.24 172.96 2jxw s ARG 69 N -2.93 0.79 -0.14 4.02 6.06 0.31 -4.99 118.95 122.06 2jxw s ARG 69 Ca 0.63 -1.06 0.16 0.00 -2.50 0.00 0.00 55.73 52.95 2jxw s ARG 69 Cb -0.17 -0.53 0.42 0.00 0.06 0.00 0.00 34.95 34.72 2jxw s ARG 69 CO 0.21 0.09 1.20 0.91 -2.50 0.00 0.00 175.30 175.22 2jxw n TRP 70 N 0.82 0.00 -3.81 5.12 7.02 -1.26 -0.93 117.44 124.40 2jxw n TRP 70 Ca -0.18 -1.18 -0.13 0.00 -1.02 0.00 0.00 57.50 54.99 2jxw n TRP 70 Cb 0.57 -0.22 -0.14 0.00 -2.42 0.00 0.00 31.31 29.10 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 -2.22 0.06 -0.22 -0.99 2.02 -1.26 -5.01 118.70 111.08 2jxw s GLU 71 Ca 0.36 0.18 -0.28 0.00 0.02 0.00 0.00 54.97 55.25 2jxw s GLU 71 Cb 0.37 -0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.49 2jxw s GLU 71 CO -0.10 -0.08 2.06 0.15 0.02 0.00 0.00 175.26 177.31 2jxw s LYS 72 N 0.50 3.32 0.99 1.61 3.01 -1.26 -4.91 119.74 123.01 2jxw s LYS 72 Ca -0.04 1.93 -0.12 0.00 -1.01 0.00 0.00 55.97 56.72 2jxw s LYS 72 Cb -0.05 -4.29 0.19 0.00 -1.01 0.00 0.00 37.83 32.66 2jxw s LYS 72 CO -0.02 -1.88 1.09 -1.25 0.51 0.00 0.00 175.35 173.81 2jxw s PRO 73 N 5.88 0.46 -0.62 -1.68 0.04 -1.26 -4.98 135.00 132.85 2jxw s PRO 73 Ca 0.93 0.51 -0.22 0.00 0.04 0.00 0.00 61.00 62.26 2jxw s PRO 73 Cb -0.31 -1.74 0.07 0.00 0.04 0.00 0.00 34.50 32.56 2jxw s PRO 73 CO 0.35 -2.71 0.88 -0.51 0.04 0.00 0.00 177.00 175.05 2jxw s ASP 74 N -3.48 6.20 0.00 6.66 1.11 -1.26 -5.22 116.67 120.68 2jxw s ASP 74 Ca 0.65 -1.00 0.25 0.00 0.18 0.00 0.00 52.55 52.63 2jxw s ASP 74 Cb -0.18 -2.39 1.50 0.00 1.07 0.00 0.00 42.92 42.92 2jxw s ASP 74 CO 0.57 -1.31 1.86 -0.90 1.18 0.00 0.00 175.17 176.57