#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb0 n THR 2 N 0.00 -6.63 -2.68 4.28 -1.04 -1.26 -4.97 114.28 101.98 1jb0 n THR 2 Ca 0.00 1.82 -0.04 0.00 -2.04 0.00 0.00 64.05 63.79 1jb0 n THR 2 Cb 0.00 -2.99 -0.03 0.00 -1.82 0.00 0.00 70.33 65.49 1jb0 n THR 2 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jb0 n LEU 3 N 1.51 -5.70 -4.45 -4.42 4.77 -1.26 -5.10 117.00 102.35 1jb0 n LEU 3 Ca 0.00 2.03 -0.22 0.00 -0.03 0.00 0.00 56.01 57.79 1jb0 n LEU 3 Cb 0.00 -2.85 -0.10 0.00 -2.33 0.00 0.00 43.42 38.13 1jb0 n LEU 3 CO 0.00 -3.67 -0.34 0.42 -1.33 0.00 0.00 177.39 172.47 1jb0 s THR 4 N -0.49 1.59 0.00 -5.08 -4.23 -1.26 -5.13 115.64 101.04 1jb0 s THR 4 Ca -0.20 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 1jb0 s THR 4 Cb 0.01 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1jb0 s THR 4 CO 0.54 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1jb0 n GLY 5 N -0.63 4.33 3.89 3.99 0.00 -1.26 -4.70 105.19 110.81 1jb0 n GLY 5 Ca -0.05 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1jb0 n GLY 5 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jb0 s GLN 6 N -3.29 3.68 0.18 1.61 -0.21 0.74 -4.49 119.66 117.87 1jb0 s GLN 6 Ca 0.00 0.06 -0.24 0.00 0.02 0.00 0.00 55.36 55.20 1jb0 s GLN 6 Cb 0.00 -2.68 -0.08 0.00 1.00 0.00 0.00 33.01 31.25 1jb0 s GLN 6 CO 0.00 0.29 0.76 -1.25 -2.12 0.00 0.00 175.29 172.97 1jb0 s PRO 7 N -3.18 4.49 0.83 2.91 0.04 -1.26 0.30 135.00 139.13 1jb0 s PRO 7 Ca 0.44 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1jb0 s PRO 7 Cb -0.11 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.35 1jb0 s PRO 7 CO 0.26 0.53 1.14 -2.14 0.04 0.00 0.00 177.00 176.84 1jb0 s PRO 8 N -1.33 1.63 -0.26 0.56 0.02 -1.26 -4.79 135.00 129.56 1jb0 s PRO 8 Ca 0.37 1.48 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 1jb0 s PRO 8 Cb -0.22 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 1jb0 s PRO 8 CO 0.25 -2.16 1.63 -0.51 -0.33 0.00 0.00 177.00 175.88 1jb0 s LEU 9 N -6.08 3.78 -0.18 -5.54 1.43 0.59 -4.83 118.68 107.86 1jb0 s LEU 9 Ca 0.67 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 1jb0 s LEU 9 Cb -0.22 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.52 1jb0 s LEU 9 CO 0.54 -1.36 0.43 -0.47 0.23 0.00 0.00 176.35 175.72 1jb0 s TYR 10 N 5.56 -0.60 -1.87 0.29 5.04 -1.26 -1.49 117.35 123.01 1jb0 s TYR 10 Ca 0.72 1.31 0.30 0.00 -2.44 0.00 0.00 57.07 56.96 1jb0 s TYR 10 Cb -0.23 0.27 1.73 0.00 0.35 0.00 0.00 41.96 44.07 1jb0 s TYR 10 CO 0.30 -0.33 2.10 0.41 -1.34 0.00 0.00 175.55 176.70 1jb0 n GLY 11 N 3.93 -1.01 0.00 8.97 0.00 -1.26 -5.03 105.19 110.79 1jb0 n GLY 11 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1jb0 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 12 N 0.95 -0.73 3.83 -0.02 0.00 -1.26 -5.11 105.19 102.85 1jb0 n GLY 12 Ca 0.21 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 1jb0 n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jb0 s SER 13 N -3.13 -0.14 0.00 1.61 1.04 -1.26 -5.02 113.70 106.81 1jb0 s SER 13 Ca 0.00 -0.78 0.29 0.00 0.48 0.00 0.00 55.95 55.94 1jb0 s SER 13 Cb 0.00 0.73 1.35 0.00 0.10 0.00 0.00 66.02 68.20 1jb0 s SER 13 CO 0.00 -1.39 1.93 0.35 0.98 0.00 0.00 173.24 175.11 1jb0 n THR 14 N -0.50 0.00 1.33 2.02 -2.24 -1.26 -3.91 114.28 109.71 1jb0 n THR 14 Ca -0.06 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1jb0 n THR 14 Cb 0.60 -0.18 0.45 0.00 -2.10 0.00 0.00 70.33 69.10 1jb0 n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jb0 n GLY 15 N 1.24 -0.57 0.00 3.38 0.00 -1.26 -4.94 105.19 103.03 1jb0 n GLY 15 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1jb0 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 16 N 1.30 -0.60 3.76 -0.02 0.00 -1.25 -4.87 105.19 103.50 1jb0 n GLY 16 Ca 0.14 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1jb0 n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jb0 s LEU 17 N 0.00 4.03 0.00 0.99 1.43 -1.26 -4.91 118.68 118.97 1jb0 s LEU 17 Ca 0.00 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 56.01 1jb0 s LEU 17 Cb 0.00 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1jb0 s LEU 17 CO 0.00 -1.31 0.02 0.18 0.23 0.00 0.00 176.35 175.47 1jb0 n LEU 18 N -0.45 0.00 0.25 1.79 4.77 -1.26 -5.01 117.00 117.10 1jb0 n LEU 18 Ca 0.07 -0.58 0.08 0.00 -0.03 0.00 0.00 56.01 55.54 1jb0 n LEU 18 Cb 0.42 0.05 0.62 0.00 -2.33 0.00 0.00 43.42 42.18 1jb0 n LEU 18 CO 0.57 -0.14 0.98 0.77 -1.33 0.00 0.00 177.39 178.24 1jb0 h SER 19 N 0.20 0.00 -0.44 -1.43 4.64 -2.02 -1.77 113.55 112.74 1jb0 h SER 19 Ca -0.08 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.37 1jb0 h SER 19 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1jb0 h SER 19 CO 0.12 0.11 0.33 0.00 -0.87 0.00 0.00 176.83 176.52 1jb0 h ALA 20 N 1.89 2.40 -0.81 5.18 0.00 -1.95 -0.69 119.26 125.28 1jb0 h ALA 20 Ca -0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1jb0 h ALA 20 Cb 0.21 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1jb0 h ALA 20 CO 0.01 -0.55 0.53 0.00 0.00 0.00 0.00 179.25 179.24 1jb0 h ALA 21 N 1.76 1.73 0.00 0.00 0.00 -1.43 0.28 119.26 121.61 1jb0 h ALA 21 Ca 0.21 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 1jb0 h ALA 21 Cb 0.86 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1jb0 h ALA 21 CO -0.00 0.11 -1.48 -0.25 0.00 0.00 0.00 179.25 177.63 1jb0 n ASP 22 N -4.51 0.85 -0.00 0.00 10.43 -0.30 -4.05 116.55 118.97 1jb0 n ASP 22 Ca 0.13 0.38 0.08 0.00 2.57 0.00 0.00 54.79 57.95 1jb0 n ASP 22 Cb 0.31 0.13 -0.11 0.00 1.84 0.00 0.00 41.12 43.29 1jb0 n ASP 22 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1jb0 n THR 23 N -2.91 0.00 0.00 -3.53 -2.24 -0.98 -4.58 114.28 100.04 1jb0 n THR 23 Ca -0.11 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1jb0 n THR 23 Cb 0.88 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1jb0 n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jb0 n GLU 24 N -1.72 0.00 -3.50 -0.78 1.02 0.97 -4.85 120.64 111.78 1jb0 n GLU 24 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1jb0 n GLU 24 Cb 0.34 -0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.74 1jb0 n GLU 24 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1jb0 s GLU 25 N -1.00 0.88 0.25 3.49 -1.05 -1.03 -4.36 118.70 115.88 1jb0 s GLU 25 Ca 0.00 -0.33 -0.04 0.00 -0.15 0.00 0.00 54.97 54.45 1jb0 s GLU 25 Cb 0.00 0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 34.07 1jb0 s GLU 25 CO 0.00 -0.39 0.29 0.21 0.95 0.00 0.00 175.26 176.33 1jb0 s LYS 26 N -3.19 1.46 0.04 -4.83 2.20 -0.65 -3.88 119.74 110.88 1jb0 s LYS 26 Ca 0.05 -1.58 0.02 0.00 -0.36 0.00 0.00 55.97 54.09 1jb0 s LYS 26 Cb -0.01 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1jb0 s LYS 26 CO -0.09 -0.55 -0.07 0.71 -0.36 0.00 0.00 175.35 174.99 1jb0 s TYR 27 N -3.89 0.64 0.04 4.03 1.51 0.10 -0.99 117.35 118.79 1jb0 s TYR 27 Ca 0.33 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1jb0 s TYR 27 Cb 0.03 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.47 1jb0 s TYR 27 CO 0.14 -0.11 -0.09 0.00 -1.11 0.00 0.00 175.55 174.39 1jb0 s ALA 28 N -1.61 0.66 -0.06 3.71 0.00 -0.34 -0.35 121.76 123.77 1jb0 s ALA 28 Ca -0.09 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 1jb0 s ALA 28 Cb -0.09 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1jb0 s ALA 28 CO -0.00 0.03 -0.03 -1.50 0.00 0.00 0.00 175.76 174.26 1jb0 s ILE 29 N -1.22 0.51 0.18 0.00 2.07 -0.27 -0.22 121.20 122.25 1jb0 s ILE 29 Ca -0.07 -0.03 0.08 0.00 -1.41 0.00 0.00 60.65 59.22 1jb0 s ILE 29 Cb -0.09 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 1jb0 s ILE 29 CO 0.01 0.25 -0.05 0.42 -1.91 0.00 0.00 174.94 173.66 1jb0 s THR 30 N 1.44 3.44 0.13 4.00 -4.23 -0.09 -2.28 115.64 118.06 1jb0 s THR 30 Ca -0.03 -1.58 -0.25 0.00 -1.18 0.00 0.00 61.69 58.65 1jb0 s THR 30 Cb -0.13 -2.73 0.07 0.00 1.34 0.00 0.00 72.50 71.05 1jb0 s THR 30 CO -0.03 -0.13 0.94 -1.66 -0.54 0.00 0.00 174.62 173.19 1jb0 s TRP 31 N -1.77 -0.17 0.11 3.99 -2.14 -1.02 -0.29 118.94 117.64 1jb0 s TRP 31 Ca 0.27 -0.11 0.09 0.00 2.66 0.00 0.00 56.10 59.01 1jb0 s TRP 31 Cb -0.09 0.63 -0.04 0.00 -3.10 0.00 0.00 33.47 30.87 1jb0 s TRP 31 CO 0.17 -0.80 -0.24 0.95 -2.66 0.00 0.00 176.95 174.37 1jb0 s THR 32 N -3.29 1.97 0.00 0.66 -4.23 -1.26 -0.22 115.64 109.28 1jb0 s THR 32 Ca 0.11 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1jb0 s THR 32 Cb -0.01 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 1jb0 s THR 32 CO 0.00 0.05 -0.12 -0.55 -0.54 0.00 0.00 174.62 173.46 1jb0 s SER 33 N -1.88 1.44 0.23 3.99 0.15 -0.02 -4.90 113.70 112.70 1jb0 s SER 33 Ca 0.10 -0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.39 1jb0 s SER 33 Cb -0.10 -0.14 0.20 0.00 -1.71 0.00 0.00 66.02 64.27 1jb0 s SER 33 CO 0.05 0.11 1.85 -0.65 1.20 0.00 0.00 173.24 175.80 1jb0 h PRO 34 N 5.59 1.22 -4.39 5.44 0.11 -1.89 -0.54 132.00 137.54 1jb0 h PRO 34 Ca -0.34 -0.14 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 1jb0 h PRO 34 Cb 1.17 -0.24 -0.13 0.00 0.11 0.00 0.00 31.00 31.91 1jb0 h PRO 34 CO 0.48 0.89 -0.48 -1.59 -0.21 0.00 0.00 178.00 177.09 1jb0 s LYS 35 N -5.85 1.37 -0.01 1.05 -2.85 -1.26 -4.68 119.74 107.51 1jb0 s LYS 35 Ca -0.13 -1.60 -0.30 0.00 -1.00 0.00 0.00 55.97 52.95 1jb0 s LYS 35 Cb 0.16 0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 1jb0 s LYS 35 CO 0.82 -0.49 1.38 -1.21 0.10 0.00 0.00 175.35 175.95 1jb0 s GLU 36 N -4.00 4.29 -0.11 1.78 2.02 -1.26 -4.24 118.70 117.18 1jb0 s GLU 36 Ca 0.35 1.93 -0.16 0.00 0.02 0.00 0.00 54.97 57.11 1jb0 s GLU 36 Cb 0.05 -3.58 0.04 0.00 0.10 0.00 0.00 34.13 30.73 1jb0 s GLU 36 CO 0.13 -0.57 0.40 1.14 0.02 0.00 0.00 175.26 176.39 1jb0 s GLN 37 N 2.43 0.58 0.24 1.61 -2.07 -1.03 -4.95 119.66 116.46 1jb0 s GLN 37 Ca 0.63 0.33 -0.30 0.00 -1.82 0.00 0.00 55.36 54.20 1jb0 s GLN 37 Cb -0.30 0.27 -0.09 0.00 -1.09 0.00 0.00 33.01 31.80 1jb0 s GLN 37 CO 0.26 -0.11 1.19 0.08 -1.32 0.00 0.00 175.29 175.38 1jb0 s VAL 38 N -0.34 3.41 0.33 3.63 1.01 -1.26 -0.31 120.40 126.87 1jb0 s VAL 38 Ca -0.05 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 1jb0 s VAL 38 Cb -0.03 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 1jb0 s VAL 38 CO 0.02 0.25 0.44 0.72 0.00 0.00 0.00 175.10 176.54 1jb0 s PHE 39 N -0.54 1.11 -0.12 5.22 -0.12 0.16 -4.93 117.98 118.76 1jb0 s PHE 39 Ca 0.50 -1.31 -0.01 0.00 -0.05 0.00 0.00 56.93 56.06 1jb0 s PHE 39 Cb -0.34 -0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 41.88 1jb0 s PHE 39 CO 0.40 -1.09 -0.09 -2.00 -0.05 0.00 0.00 175.22 172.40 1jb0 s GLU 40 N -3.18 3.31 0.24 1.99 2.12 -1.26 -0.86 118.70 121.07 1jb0 s GLU 40 Ca 0.31 -0.61 -0.26 0.00 0.36 0.00 0.00 54.97 54.78 1jb0 s GLU 40 Cb 0.00 -2.70 -0.09 0.00 0.26 0.00 0.00 34.13 31.60 1jb0 s GLU 40 CO 0.20 0.33 0.86 -1.64 -0.54 0.00 0.00 175.26 174.47 1jb0 s MET 41 N 0.07 4.58 0.00 4.30 -1.94 -0.38 -4.92 119.30 121.01 1jb0 s MET 41 Ca -0.03 1.23 0.21 0.00 -1.71 0.00 0.00 55.69 55.39 1jb0 s MET 41 Cb -0.14 -3.05 0.97 0.00 2.01 0.00 0.00 34.83 34.62 1jb0 s MET 41 CO 0.04 0.44 1.67 -2.30 -0.01 0.00 0.00 175.02 174.85 1jb0 n PRO 42 N 1.08 0.15 -0.15 2.03 -0.02 -1.26 -1.55 135.00 135.28 1jb0 n PRO 42 Ca -0.02 0.12 0.11 0.00 -2.02 0.00 0.00 63.50 61.69 1jb0 n PRO 42 Cb 0.49 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.75 1jb0 n PRO 42 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jb0 n THR 43 N -1.40 0.39 0.00 3.45 -2.24 -1.26 -5.02 114.28 108.21 1jb0 n THR 43 Ca 0.07 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1jb0 n THR 43 Cb 0.21 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1jb0 n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 n ALA 44 N 0.99 -0.35 0.00 6.98 0.00 -0.60 -4.25 120.51 123.29 1jb0 n ALA 44 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1jb0 n ALA 44 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1jb0 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jb0 n GLY 45 N 1.66 0.43 3.81 0.00 0.00 -1.26 -4.61 105.19 105.20 1jb0 n GLY 45 Ca 0.00 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1jb0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jb0 s ALA 46 N -2.64 3.07 0.07 4.61 0.00 -1.26 -1.25 121.76 124.35 1jb0 s ALA 46 Ca 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 1jb0 s ALA 46 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1jb0 s ALA 46 CO 0.00 0.09 0.02 0.00 0.00 0.00 0.00 175.76 175.87 1jb0 s ALA 47 N -2.01 0.44 -0.21 0.00 0.00 -0.04 -4.80 121.76 115.14 1jb0 s ALA 47 Ca 0.60 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1jb0 s ALA 47 Cb -0.12 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.42 1jb0 s ALA 47 CO 0.17 -0.41 -0.15 0.08 0.00 0.00 0.00 175.76 175.45 1jb0 s VAL 48 N -3.93 1.96 0.45 0.00 1.01 -0.55 -0.66 120.40 118.67 1jb0 s VAL 48 Ca 0.09 -1.14 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 1jb0 s VAL 48 Cb 0.07 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 1jb0 s VAL 48 CO -0.08 0.28 1.03 0.00 0.00 0.00 0.00 175.10 176.33 1jb0 s MET 49 N 1.28 3.95 0.37 2.72 0.00 0.58 -0.30 119.30 127.90 1jb0 s MET 49 Ca -0.01 1.38 -0.07 0.00 0.00 0.00 0.00 55.69 57.00 1jb0 s MET 49 Cb -0.16 -2.23 -0.05 0.00 0.00 0.00 0.00 34.83 32.38 1jb0 s MET 49 CO -0.09 -0.31 0.68 1.03 0.00 0.00 0.00 175.02 176.33 1jb0 s ARG 50 N -3.01 3.67 0.08 3.16 1.81 -1.26 -2.46 118.95 120.94 1jb0 s ARG 50 Ca 0.64 0.21 -0.31 0.00 -1.72 0.00 0.00 55.73 54.56 1jb0 s ARG 50 Cb -0.17 -2.49 -0.06 0.00 -0.45 0.00 0.00 34.95 31.77 1jb0 s ARG 50 CO 0.21 0.04 1.25 -2.00 -0.68 0.00 0.00 175.30 174.12 1jb0 s GLU 51 N -3.91 4.40 0.00 3.54 2.12 -1.26 -4.36 118.70 119.23 1jb0 s GLU 51 Ca 0.47 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.66 1jb0 s GLU 51 Cb -0.10 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.97 1jb0 s GLU 51 CO 0.33 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1jb0 n GLY 52 N 3.25 0.43 3.77 -1.50 0.00 -0.21 -4.92 105.19 106.00 1jb0 n GLY 52 Ca 0.09 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 1jb0 n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jb0 s GLU 53 N 0.00 4.19 0.11 1.61 2.12 -1.26 -0.84 118.70 124.63 1jb0 s GLU 53 Ca 0.00 0.50 0.09 0.00 0.36 0.00 0.00 54.97 55.92 1jb0 s GLU 53 Cb 0.00 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1jb0 s GLU 53 CO 0.00 0.40 -0.19 -0.80 -0.54 0.00 0.00 175.26 174.13 1jb0 s ASN 54 N -0.20 3.81 -0.02 -1.70 -0.87 0.69 -0.19 114.94 116.47 1jb0 s ASN 54 Ca 0.26 -0.56 0.00 0.00 -1.57 0.00 0.00 52.86 50.99 1jb0 s ASN 54 Cb -0.16 -0.52 0.03 0.00 -0.02 0.00 0.00 41.25 40.57 1jb0 s ASN 54 CO 0.13 0.19 0.02 -0.22 -2.57 0.00 0.00 177.10 174.65 1jb0 s LEU 55 N -2.03 1.12 0.01 0.60 2.96 0.15 -2.43 118.68 119.06 1jb0 s LEU 55 Ca 0.17 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1jb0 s LEU 55 Cb -0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 1jb0 s LEU 55 CO 0.09 -0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.27 1jb0 s VAL 56 N 1.04 0.27 -0.07 1.68 1.01 -0.96 -4.18 120.40 119.19 1jb0 s VAL 56 Ca -0.09 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1jb0 s VAL 56 Cb -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1jb0 s VAL 56 CO -0.03 -0.16 -0.09 -0.31 0.00 0.00 0.00 175.10 174.52 1jb0 s TYR 57 N -0.67 2.88 0.11 5.22 1.51 -1.26 -1.12 117.35 124.03 1jb0 s TYR 57 Ca -0.05 -0.05 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1jb0 s TYR 57 Cb -0.05 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1jb0 s TYR 57 CO -0.00 0.27 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.57 1jb0 s PHE 58 N -0.72 1.04 -0.15 2.71 2.99 0.53 -4.88 117.98 119.49 1jb0 s PHE 58 Ca 0.11 -0.82 0.15 0.00 0.00 0.00 0.00 56.93 56.36 1jb0 s PHE 58 Cb -0.11 -0.57 0.05 0.00 0.00 0.00 0.00 43.02 42.39 1jb0 s PHE 58 CO 0.01 -0.05 1.41 0.00 -0.00 0.00 0.00 175.22 176.60 1jb0 h ALA 59 N 2.99 0.67 -3.52 5.36 0.00 -1.91 0.31 119.26 123.15 1jb0 h ALA 59 Ca -0.36 -0.48 -0.41 0.00 0.00 0.00 0.00 54.91 53.67 1jb0 h ALA 59 Cb 1.18 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.67 1jb0 h ALA 59 CO 0.63 0.64 -0.78 1.03 0.00 0.00 0.00 179.25 180.77 1jb0 s ARG 60 N -2.96 0.82 0.32 0.00 0.52 -1.26 -4.65 118.95 111.75 1jb0 s ARG 60 Ca 0.04 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1jb0 s ARG 60 Cb 0.08 -0.81 0.55 0.00 0.52 0.00 0.00 34.95 35.29 1jb0 s ARG 60 CO 0.75 0.19 1.95 -0.22 0.02 0.00 0.00 175.30 177.99 1jb0 h LYS 61 N 4.58 0.96 0.00 3.54 3.64 -1.95 -0.88 116.57 126.46 1jb0 h LYS 61 Ca -0.39 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1jb0 h LYS 61 Cb 1.19 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1jb0 h LYS 61 CO 0.42 0.63 -0.14 1.49 -2.27 0.00 0.00 179.45 179.58 1jb0 h GLU 62 N 0.99 0.00 -0.15 1.90 4.81 -1.98 -1.35 114.58 118.79 1jb0 h GLU 62 Ca 0.33 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.37 1jb0 h GLU 62 Cb 0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1jb0 h GLU 62 CO -0.10 0.14 -0.68 1.96 -0.73 0.00 0.00 179.01 179.61 1jb0 h GLN 63 N 0.00 0.59 0.28 1.92 4.20 -1.58 -0.84 115.11 119.68 1jb0 h GLN 63 Ca -0.00 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 1jb0 h GLN 63 Cb 0.27 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1jb0 h GLN 63 CO 0.02 1.06 -0.13 0.00 -0.67 0.00 0.00 178.83 179.11 1jb0 h LEU 65 N -0.55 0.00 -0.25 0.00 3.38 -1.22 -1.86 115.31 114.81 1jb0 h LEU 65 Ca -0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 1jb0 h LEU 65 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1jb0 h LEU 65 CO 0.06 0.11 -0.82 0.00 0.09 0.00 0.00 178.44 177.88 1jb0 h ALA 66 N 1.89 0.42 -0.72 1.53 0.00 -0.96 -1.05 119.26 120.37 1jb0 h ALA 66 Ca -0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1jb0 h ALA 66 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jb0 h ALA 66 CO 0.01 0.75 0.19 1.25 0.00 0.00 0.00 179.25 181.45 1jb0 h LEU 67 N 0.35 1.08 0.55 0.00 5.85 -0.71 -0.32 115.31 122.11 1jb0 h LEU 67 Ca -0.06 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 1jb0 h LEU 67 Cb 1.43 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 42.18 1jb0 h LEU 67 CO 0.15 1.02 -0.26 0.00 -0.34 0.00 0.00 178.44 179.01 1jb0 h ALA 68 N 1.10 -0.74 -0.76 1.25 0.00 -1.25 0.18 119.26 119.04 1jb0 h ALA 68 Ca 0.23 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jb0 h ALA 68 Cb 0.35 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1jb0 h ALA 68 CO -0.00 -0.78 0.49 0.00 0.00 0.00 0.00 179.25 178.96 1jb0 h ALA 69 N -0.74 0.98 0.00 0.00 0.00 -1.14 -0.90 119.26 117.45 1jb0 h ALA 69 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jb0 h ALA 69 Cb 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jb0 h ALA 69 CO 0.12 0.32 -1.58 1.04 0.00 0.00 0.00 179.25 179.15 1jb0 n GLN 70 N -4.60 0.56 -0.01 0.00 3.00 -0.14 -4.43 117.38 111.76 1jb0 n GLN 70 Ca 0.08 -0.09 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1jb0 n GLN 70 Cb 0.06 -1.60 -0.02 0.00 0.00 0.00 0.00 30.24 28.68 1jb0 n GLN 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1jb0 n GLN 71 N -2.27 1.40 -0.03 -1.09 1.13 0.55 -4.72 117.38 112.35 1jb0 n GLN 71 Ca -0.02 0.01 -0.01 0.00 -1.94 0.00 0.00 57.00 55.04 1jb0 n GLN 71 Cb 0.53 -1.06 -0.00 0.00 0.11 0.00 0.00 30.24 29.82 1jb0 n GLN 71 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1jb0 h LEU 72 N 0.00 0.00 -0.89 1.08 3.38 -0.50 -3.32 115.31 115.06 1jb0 h LEU 72 Ca -0.07 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.14 1jb0 h LEU 72 Cb 1.13 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1jb0 h LEU 72 CO -0.01 0.32 0.25 0.03 0.09 0.00 0.00 178.44 179.12 1jb0 h ARG 73 N -0.52 0.21 0.00 1.13 3.08 -1.12 0.62 114.38 117.78 1jb0 h ARG 73 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1jb0 h ARG 73 Cb 0.12 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1jb0 h ARG 73 CO 0.00 0.14 -0.04 -1.35 -1.07 0.00 0.00 179.97 177.64 1jb0 h PRO 74 N 0.21 0.00 -0.63 0.04 0.11 -1.77 -0.92 132.00 129.03 1jb0 h PRO 74 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1jb0 h PRO 74 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jb0 h PRO 74 CO -0.66 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 177.72 1jb0 n ARG 75 N -3.81 2.97 -3.31 1.05 1.74 0.21 -4.93 116.66 110.59 1jb0 n ARG 75 Ca -0.03 -2.35 -0.17 0.00 -0.77 0.00 0.00 57.85 54.53 1jb0 n ARG 75 Cb 0.13 -1.67 0.07 0.00 -1.02 0.00 0.00 32.46 29.97 1jb0 n ARG 75 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jb0 n LYS 76 N 1.09 -6.10 -4.09 5.56 4.76 -0.35 -4.99 118.16 114.03 1jb0 n LYS 76 Ca 0.21 0.70 -0.32 0.00 -2.87 0.00 0.00 58.31 56.03 1jb0 n LYS 76 Cb 0.67 -5.30 -0.16 0.00 -1.84 0.00 0.00 35.03 28.40 1jb0 n LYS 76 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1jb0 s ILE 77 N -3.28 1.97 0.00 -0.18 1.01 -0.97 -4.96 121.20 114.78 1jb0 s ILE 77 Ca 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1jb0 s ILE 77 Cb -0.11 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1jb0 s ILE 77 CO 0.61 0.45 0.40 0.59 0.00 0.00 0.00 174.94 176.99 1jb0 n ASN 78 N 4.63 0.57 -1.76 3.58 3.02 -1.26 -3.06 115.26 120.99 1jb0 n ASN 78 Ca -0.19 -1.16 -0.08 0.00 -0.03 0.00 0.00 54.58 53.11 1jb0 n ASN 78 Cb 0.49 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.87 1jb0 n ASN 78 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1jb0 n ASP 79 N -0.08 3.98 -4.79 6.41 5.75 -1.26 -4.96 116.55 121.60 1jb0 n ASP 79 Ca 0.00 -2.98 -0.36 0.00 -0.01 0.00 0.00 54.79 51.44 1jb0 n ASP 79 Cb 0.25 -0.71 -0.05 0.00 -1.03 0.00 0.00 41.12 39.58 1jb0 n ASP 79 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1jb0 s TYR 80 N -2.39 3.32 0.03 2.11 -0.85 -1.26 -4.58 117.35 113.73 1jb0 s TYR 80 Ca 0.42 1.66 0.04 0.00 -0.52 0.00 0.00 57.07 58.67 1jb0 s TYR 80 Cb 0.34 -3.04 -0.02 0.00 0.38 0.00 0.00 41.96 39.62 1jb0 s TYR 80 CO 0.10 -0.41 -0.12 0.15 -1.52 0.00 0.00 175.55 173.74 1jb0 s LYS 81 N -2.60 0.86 -0.10 -3.49 1.02 0.60 -4.53 119.74 111.50 1jb0 s LYS 81 Ca 0.58 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.93 1jb0 s LYS 81 Cb -0.19 -0.83 0.01 0.00 -0.52 0.00 0.00 37.83 36.29 1jb0 s LYS 81 CO 0.24 0.21 -0.21 0.42 -0.92 0.00 0.00 175.35 175.09 1jb0 s ILE 82 N -0.78 1.82 0.15 2.17 1.01 0.28 -0.91 121.20 124.93 1jb0 s ILE 82 Ca 0.01 -0.87 0.11 0.00 0.00 0.00 0.00 60.65 59.90 1jb0 s ILE 82 Cb -0.07 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1jb0 s ILE 82 CO 0.01 0.51 -0.26 -0.31 0.00 0.00 0.00 174.94 174.88 1jb0 s TYR 83 N 0.51 2.30 -0.18 3.97 1.51 0.69 -0.80 117.35 125.34 1jb0 s TYR 83 Ca -0.16 -0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 55.45 1jb0 s TYR 83 Cb -0.17 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1jb0 s TYR 83 CO 0.06 0.38 0.06 0.50 -1.11 0.00 0.00 175.55 175.44 1jb0 s ARG 84 N -2.24 3.97 -0.15 -0.62 3.52 -0.27 -1.20 118.95 121.95 1jb0 s ARG 84 Ca 0.16 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.43 1jb0 s ARG 84 Cb -0.09 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 30.10 1jb0 s ARG 84 CO 0.07 0.27 -0.19 0.42 -0.81 0.00 0.00 175.30 175.06 1jb0 s ILE 85 N 0.38 1.92 0.52 4.11 1.01 -0.16 -1.24 121.20 127.74 1jb0 s ILE 85 Ca 0.03 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 1jb0 s ILE 85 Cb -0.12 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1jb0 s ILE 85 CO 0.00 0.52 0.79 -0.36 0.00 0.00 0.00 174.94 175.89 1jb0 s PHE 86 N 1.13 3.23 0.54 3.97 0.40 -0.42 -1.64 117.98 125.19 1jb0 s PHE 86 Ca -0.00 0.44 0.26 0.00 -0.60 0.00 0.00 56.93 57.03 1jb0 s PHE 86 Cb -0.14 -2.54 1.43 0.00 0.51 0.00 0.00 43.02 42.28 1jb0 s PHE 86 CO -0.08 -0.61 2.00 -1.35 0.70 0.00 0.00 175.22 175.88 1jb0 h PRO 87 N 0.09 0.00 -0.33 0.24 0.11 -1.81 -1.33 132.00 128.97 1jb0 h PRO 87 Ca -0.46 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1jb0 h PRO 87 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1jb0 h PRO 87 CO 0.59 0.00 -0.28 -0.44 -0.21 0.00 0.00 178.00 177.66 1jb0 h ASP 88 N 0.00 -0.91 0.00 -2.05 3.45 -1.93 -3.46 116.42 111.52 1jb0 h ASP 88 Ca 0.23 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.86 1jb0 h ASP 88 Cb 0.98 0.43 0.00 0.00 -0.56 0.00 0.00 39.33 40.19 1jb0 h ASP 88 CO -0.00 -0.30 0.00 0.61 -1.57 0.00 0.00 179.24 177.98 1jb0 n GLY 89 N -1.40 1.46 3.68 2.75 0.00 -0.50 -5.08 105.19 106.10 1jb0 n GLY 89 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.51 1jb0 n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jb0 n GLU 90 N 0.00 1.67 -4.54 1.61 2.13 -1.26 -4.71 120.64 115.54 1jb0 n GLU 90 Ca 0.00 0.61 -0.33 0.00 0.66 0.00 0.00 57.16 58.10 1jb0 n GLU 90 Cb 0.00 -2.36 -0.15 0.00 0.27 0.00 0.00 31.44 29.20 1jb0 n GLU 90 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1jb0 s THR 91 N 3.04 2.81 -0.08 6.31 2.01 -1.26 -1.30 115.64 127.16 1jb0 s THR 91 Ca 0.92 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.22 1jb0 s THR 91 Cb -0.86 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1jb0 s THR 91 CO 0.54 0.51 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.13 1jb0 s VAL 92 N 0.75 1.49 0.09 3.82 1.01 -0.38 -4.97 120.40 122.22 1jb0 s VAL 92 Ca -0.06 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1jb0 s VAL 92 Cb -0.15 -1.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 1jb0 s VAL 92 CO 0.01 0.43 1.14 -0.22 0.00 0.00 0.00 175.10 176.46 1jb0 s LEU 93 N 0.58 4.41 0.00 3.92 0.20 -1.26 -1.11 118.68 125.41 1jb0 s LEU 93 Ca -0.15 2.00 0.00 0.00 0.69 0.00 0.00 54.13 56.67 1jb0 s LEU 93 Cb -0.16 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 1jb0 s LEU 93 CO 0.05 -0.36 0.00 2.30 -0.29 0.00 0.00 176.35 178.05 1jb0 n ILE 94 N 3.39 0.00 -3.62 6.68 -5.35 0.02 -4.90 119.36 115.58 1jb0 n ILE 94 Ca 0.06 -0.26 -0.03 0.00 -0.27 0.00 0.00 62.75 62.25 1jb0 n ILE 94 Cb 0.47 0.87 -0.06 0.00 -1.74 0.00 0.00 39.64 39.19 1jb0 n ILE 94 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1jb0 s HIS 95 N -0.77 -1.06 -0.33 4.28 5.04 -1.14 -3.11 115.29 118.19 1jb0 s HIS 95 Ca 0.00 1.98 -0.28 0.00 -1.54 0.00 0.00 55.06 55.22 1jb0 s HIS 95 Cb 0.00 0.64 -0.03 0.00 0.04 0.00 0.00 32.58 33.23 1jb0 s HIS 95 CO 0.00 -0.53 1.95 -2.14 -2.34 0.00 0.00 174.74 171.68 1jb0 s PRO 96 N 2.12 3.16 0.20 2.88 0.02 -1.26 -0.56 135.00 141.55 1jb0 s PRO 96 Ca -0.08 1.52 -0.13 0.00 0.02 0.00 0.00 61.00 62.33 1jb0 s PRO 96 Cb -0.07 -4.28 0.23 0.00 0.02 0.00 0.00 34.50 30.40 1jb0 s PRO 96 CO -0.19 -2.07 1.27 1.17 -0.33 0.00 0.00 177.00 176.85 1jb0 n LYS 97 N 8.60 -0.17 -0.75 5.54 3.00 -1.18 -1.58 118.16 131.62 1jb0 n LYS 97 Ca 0.25 1.26 -0.03 0.00 -0.00 0.00 0.00 58.31 59.80 1jb0 n LYS 97 Cb 0.47 -1.87 0.21 0.00 0.00 0.00 0.00 35.03 33.84 1jb0 n LYS 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jb0 n ASP 98 N -5.23 2.90 0.00 3.14 3.85 -1.26 -4.91 116.55 115.04 1jb0 n ASP 98 Ca 0.09 -3.59 0.00 0.00 -0.71 0.00 0.00 54.79 50.58 1jb0 n ASP 98 Cb 0.34 -0.63 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 1jb0 n ASP 98 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jb0 n GLY 99 N -0.98 2.77 3.53 6.12 0.00 -0.61 -4.97 105.19 111.04 1jb0 n GLY 99 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1jb0 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jb0 s VAL 100 N -1.18 3.86 0.52 1.61 1.01 -1.26 -4.92 120.40 120.04 1jb0 s VAL 100 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1jb0 s VAL 100 Cb 0.00 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 1jb0 s VAL 100 CO 0.00 0.53 0.72 0.49 0.00 0.00 0.00 175.10 176.84 1jb0 n PHE 101 N 3.10 0.06 0.26 5.22 0.99 -1.26 -4.65 117.46 121.19 1jb0 n PHE 101 Ca -0.18 0.49 0.15 0.00 -0.00 0.00 0.00 57.45 57.91 1jb0 n PHE 101 Cb 0.53 -2.06 0.67 0.00 -1.00 0.00 0.00 39.48 37.62 1jb0 n PHE 101 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1jb0 h PRO 102 N 0.66 0.00 -0.72 -1.08 0.13 -1.98 -3.09 132.00 125.93 1jb0 h PRO 102 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1jb0 h PRO 102 Cb 1.38 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 1jb0 h PRO 102 CO 0.51 0.09 0.42 0.93 -0.23 0.00 0.00 178.00 179.72 1jb0 h GLU 103 N 0.00 0.98 -5.93 0.86 3.07 -2.06 -3.42 114.58 108.08 1jb0 h GLU 103 Ca -0.00 -0.10 -0.57 0.00 -0.50 0.00 0.00 59.36 58.19 1jb0 h GLU 103 Cb 0.51 -0.20 -0.07 0.00 -0.84 0.00 0.00 28.75 28.15 1jb0 h GLU 103 CO 0.01 0.70 0.11 -1.59 -1.40 0.00 0.00 179.01 176.85 1jb0 s LYS 104 N -5.94 4.37 0.57 2.33 -2.85 -1.17 -5.04 119.74 112.01 1jb0 s LYS 104 Ca -0.13 0.81 -0.20 0.00 -1.00 0.00 0.00 55.97 55.45 1jb0 s LYS 104 Cb 0.14 -3.49 -0.05 0.00 -2.06 0.00 0.00 37.83 32.38 1jb0 s LYS 104 CO 0.79 -0.03 1.14 0.28 0.10 0.00 0.00 175.35 177.62 1jb0 n VAL 105 N 4.06 3.81 -3.72 1.79 0.31 -1.26 -4.79 118.33 118.53 1jb0 n VAL 105 Ca -0.01 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.70 1jb0 n VAL 105 Cb 0.51 -1.36 -0.11 0.00 -0.91 0.00 0.00 33.84 31.96 1jb0 n VAL 105 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1jb0 s ASN 106 N -1.11 -0.40 0.65 4.52 2.47 -1.26 -5.10 114.94 114.71 1jb0 s ASN 106 Ca 0.74 0.73 -0.17 0.00 0.42 0.00 0.00 52.86 54.58 1jb0 s ASN 106 Cb -0.43 0.65 -0.01 0.00 -1.45 0.00 0.00 41.25 40.01 1jb0 s ASN 106 CO 0.48 -0.16 1.23 -0.54 -3.72 0.00 0.00 177.10 174.39 1jb0 s LYS 107 N 1.03 2.59 0.00 0.43 -0.14 -1.26 -3.06 119.74 119.33 1jb0 s LYS 107 Ca -0.07 1.88 0.00 0.00 -1.36 0.00 0.00 55.97 56.42 1jb0 s LYS 107 Cb -0.07 -1.87 0.00 0.00 -1.68 0.00 0.00 37.83 34.20 1jb0 s LYS 107 CO -0.08 -1.51 0.00 0.41 -0.76 0.00 0.00 175.35 173.41 1jb0 n GLY 108 N 0.59 2.59 3.70 -3.33 0.00 -1.26 -5.05 105.19 102.43 1jb0 n GLY 108 Ca 0.14 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jb0 n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jb0 s ARG 109 N 0.00 4.47 -0.04 1.61 0.52 -1.17 -5.04 118.95 119.29 1jb0 s ARG 109 Ca 0.00 1.55 -0.03 0.00 -0.52 0.00 0.00 55.73 56.72 1jb0 s ARG 109 Cb 0.00 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1jb0 s ARG 109 CO 0.00 -0.22 0.15 -1.21 0.02 0.00 0.00 175.30 174.03 1jb0 s GLU 110 N 1.42 3.35 -0.03 3.54 2.02 -1.26 -5.02 118.70 122.72 1jb0 s GLU 110 Ca 0.54 -0.31 -0.30 0.00 0.02 0.00 0.00 54.97 54.92 1jb0 s GLU 110 Cb -0.23 -3.06 -0.06 0.00 0.10 0.00 0.00 34.13 30.87 1jb0 s GLU 110 CO 0.25 0.70 1.66 0.00 0.02 0.00 0.00 175.26 177.89 1jb0 s ALA 111 N -1.21 3.62 -0.15 5.21 0.00 -1.26 -5.00 121.76 122.98 1jb0 s ALA 111 Ca 0.23 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 1jb0 s ALA 111 Cb -0.12 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 1jb0 s ALA 111 CO 0.13 -1.35 -0.02 0.08 0.00 0.00 0.00 175.76 174.60 1jb0 s VAL 112 N 3.83 4.04 -0.68 0.00 1.01 -1.26 -4.64 120.40 122.71 1jb0 s VAL 112 Ca 0.74 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1jb0 s VAL 112 Cb -0.35 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1jb0 s VAL 112 CO 0.30 0.50 0.59 0.59 0.00 0.00 0.00 175.10 177.09 1jb0 n ASN 113 N 3.34 -3.83 -4.83 3.32 3.02 -1.26 -5.04 115.26 109.99 1jb0 n ASN 113 Ca -0.17 -0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 53.73 1jb0 n ASN 113 Cb 0.53 -2.82 -0.06 0.00 -0.61 0.00 0.00 39.78 36.82 1jb0 n ASN 113 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jb0 s SER 114 N -3.26 6.92 -0.18 6.41 0.01 -1.26 -5.07 113.70 117.27 1jb0 s SER 114 Ca 0.24 1.16 0.01 0.00 1.31 0.00 0.00 55.95 58.67 1jb0 s SER 114 Cb -0.11 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 63.84 1jb0 s SER 114 CO 0.37 0.16 -0.12 -0.69 0.41 0.00 0.00 173.24 173.37 1jb0 s VAL 115 N -1.35 1.64 -0.91 3.43 1.01 -1.26 -4.72 120.40 118.23 1jb0 s VAL 115 Ca 0.35 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1jb0 s VAL 115 Cb -0.17 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 1jb0 s VAL 115 CO 0.19 0.30 2.22 -0.81 0.00 0.00 0.00 175.10 177.00 1jb0 n PRO 116 N 4.71 2.18 -3.61 2.72 -0.04 -1.26 -4.77 135.00 134.94 1jb0 n PRO 116 Ca -0.16 -1.46 -0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1jb0 n PRO 116 Cb 0.48 -2.43 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 1jb0 n PRO 116 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1jb0 s ARG 117 N 3.14 0.12 0.42 0.54 3.52 -1.26 -5.15 118.95 120.29 1jb0 s ARG 117 Ca 0.43 -0.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.82 1jb0 s ARG 117 Cb 0.12 0.05 -0.08 0.00 -1.56 0.00 0.00 34.95 33.47 1jb0 s ARG 117 CO -0.03 -0.05 0.85 -1.54 -0.81 0.00 0.00 175.30 173.71 1jb0 s SER 118 N -2.47 6.66 0.33 -2.12 1.04 -1.26 -4.97 113.70 110.91 1jb0 s SER 118 Ca 0.13 1.37 0.07 0.00 0.48 0.00 0.00 55.95 57.99 1jb0 s SER 118 Cb 0.02 -2.42 0.74 0.00 0.10 0.00 0.00 66.02 64.46 1jb0 s SER 118 CO -0.04 -0.41 1.85 -0.29 0.98 0.00 0.00 173.24 175.33 1jb0 h ILE 119 N 1.33 0.84 0.00 -1.02 2.10 -2.01 -0.45 117.51 118.30 1jb0 h ILE 119 Ca -0.47 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.20 1jb0 h ILE 119 Cb 1.18 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 1jb0 h ILE 119 CO 0.63 0.14 0.00 0.61 -1.08 0.00 0.00 178.15 178.45 1jb0 n GLY 120 N -1.40 -0.69 0.71 8.18 0.00 -1.26 -2.14 105.19 108.59 1jb0 n GLY 120 Ca 0.19 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.42 1jb0 n GLY 120 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jb0 n GLN 121 N -1.84 1.96 -1.73 1.61 1.13 -0.18 -4.96 117.38 113.37 1jb0 n GLN 121 Ca -0.00 -1.42 -0.39 0.00 -1.94 0.00 0.00 57.00 53.25 1jb0 n GLN 121 Cb 0.03 -1.46 0.04 0.00 0.11 0.00 0.00 30.24 28.96 1jb0 n GLN 121 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1jb0 n ASN 122 N 0.68 2.55 -4.76 1.08 3.02 -0.91 -4.96 115.26 111.96 1jb0 n ASN 122 Ca 0.17 0.97 -0.31 0.00 -0.03 0.00 0.00 54.58 55.38 1jb0 n ASN 122 Cb 0.44 -1.56 0.10 0.00 -0.61 0.00 0.00 39.78 38.14 1jb0 n ASN 122 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1jb0 s PRO 123 N -2.88 2.18 0.10 3.52 0.02 -1.26 -5.00 135.00 131.69 1jb0 s PRO 123 Ca 0.72 1.21 -0.28 0.00 0.02 0.00 0.00 61.00 62.67 1jb0 s PRO 123 Cb -0.42 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.16 1jb0 s PRO 123 CO 0.49 -1.71 0.89 -0.80 -0.33 0.00 0.00 177.00 175.54 1jb0 s ASN 124 N -3.29 7.42 0.50 2.53 0.01 -1.26 -4.72 114.94 116.12 1jb0 s ASN 124 Ca 0.62 1.69 0.26 0.00 -0.71 0.00 0.00 52.86 54.72 1jb0 s ASN 124 Cb -0.18 -2.55 1.34 0.00 0.41 0.00 0.00 41.25 40.28 1jb0 s ASN 124 CO 0.55 -0.01 1.89 -0.65 -1.51 0.00 0.00 177.10 177.38 1jb0 h PRO 125 N 5.42 0.13 -0.48 -0.60 0.11 -1.98 0.73 132.00 135.32 1jb0 h PRO 125 Ca -0.44 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1jb0 h PRO 125 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1jb0 h PRO 125 CO 0.71 0.08 0.33 0.77 -0.21 0.00 0.00 178.00 179.68 1jb0 h SER 126 N 0.13 0.29 0.83 -2.05 0.02 -2.00 0.24 113.55 111.01 1jb0 h SER 126 Ca 0.42 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.25 1jb0 h SER 126 Cb 1.43 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.90 1jb0 h SER 126 CO -0.06 0.18 -0.55 1.56 -1.14 0.00 0.00 176.83 176.82 1jb0 h GLN 127 N 0.32 0.00 -0.25 3.45 4.20 0.11 -3.23 115.11 119.70 1jb0 h GLN 127 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1jb0 h GLN 127 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1jb0 h GLN 127 CO -0.05 0.55 0.00 1.28 -0.67 0.00 0.00 178.83 179.94 1jb0 n LEU 128 N -3.59 2.51 -4.61 1.46 4.77 0.03 -4.96 117.00 112.60 1jb0 n LEU 128 Ca -0.00 -1.05 -0.46 0.00 -0.03 0.00 0.00 56.01 54.47 1jb0 n LEU 128 Cb 0.62 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1jb0 n LEU 128 CO 0.40 0.53 0.73 0.29 -1.33 0.00 0.00 177.39 178.01 1jb0 n LYS 129 N 0.88 1.51 -1.08 3.23 4.76 -0.96 -1.84 118.16 124.65 1jb0 n LYS 129 Ca 0.17 0.53 -0.03 0.00 -2.87 0.00 0.00 58.31 56.12 1jb0 n LYS 129 Cb 0.46 -2.02 -0.01 0.00 -1.84 0.00 0.00 35.03 31.62 1jb0 n LYS 129 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1jb0 n PHE 130 N 0.95 0.00 -3.77 2.13 0.99 -1.26 -4.94 117.46 111.56 1jb0 n PHE 130 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.31 1jb0 n PHE 130 Cb 0.30 -2.13 0.00 0.00 -1.00 0.00 0.00 39.48 36.65 1jb0 n PHE 130 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1jb0 s THR 131 N -1.28 1.72 -0.43 4.37 -4.23 -0.77 -5.02 115.64 110.00 1jb0 s THR 131 Ca 0.00 -1.42 0.12 0.00 -1.18 0.00 0.00 61.69 59.21 1jb0 s THR 131 Cb 0.00 -2.14 0.34 0.00 1.34 0.00 0.00 72.50 72.04 1jb0 s THR 131 CO 0.00 0.00 1.26 0.61 -0.54 0.00 0.00 174.62 175.95 1jb0 n GLY 132 N -1.83 3.52 3.77 3.99 0.00 -1.26 -5.02 105.19 108.36 1jb0 n GLY 132 Ca 0.01 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1jb0 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jb0 s LYS 133 N -1.88 3.59 0.14 1.61 1.02 -1.26 -5.06 119.74 117.89 1jb0 s LYS 133 Ca 0.28 1.65 0.05 0.00 0.02 0.00 0.00 55.97 57.97 1jb0 s LYS 133 Cb 0.20 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1jb0 s LYS 133 CO 0.09 -0.67 0.10 0.15 -0.92 0.00 0.00 175.35 174.11 1jb0 s LYS 134 N -3.01 2.83 0.44 1.68 3.01 -1.26 -4.90 119.74 118.53 1jb0 s LYS 134 Ca 0.68 -0.84 0.10 0.00 -1.01 0.00 0.00 55.97 54.90 1jb0 s LYS 134 Cb -0.25 -2.63 0.98 0.00 -1.01 0.00 0.00 37.83 34.92 1jb0 s LYS 134 CO 0.29 0.50 2.07 -1.35 0.51 0.00 0.00 175.35 177.38 1jb0 h PRO 135 N 2.71 0.32 -0.34 -1.68 0.11 -1.96 -2.10 132.00 129.07 1jb0 h PRO 135 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jb0 h PRO 135 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jb0 h PRO 135 CO 0.63 0.24 0.00 2.48 -0.21 0.00 0.00 178.00 181.14 1jb0 n TYR 136 N -4.47 0.44 -2.22 0.65 0.18 -1.26 -3.99 117.16 106.49 1jb0 n TYR 136 Ca 0.01 -0.22 -0.41 0.00 1.88 0.00 0.00 57.90 59.15 1jb0 n TYR 136 Cb 0.10 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.03 1jb0 n TYR 136 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1jb0 s ASP 137 N -1.35 6.89 0.00 9.48 1.01 -0.79 -4.92 116.67 127.00 1jb0 s ASP 137 Ca 0.34 2.41 0.00 0.00 0.71 0.00 0.00 52.55 56.01 1jb0 s ASP 137 Cb 0.19 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1jb0 s ASP 137 CO 0.26 -0.52 0.07 -2.65 0.21 0.00 0.00 175.17 172.54