#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o87 s ILE 3 N 0.00 4.97 0.22 0.00 1.01 -1.26 -4.80 121.20 121.33 2o87 s ILE 3 Ca 0.00 0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.51 2o87 s ILE 3 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 2o87 s ILE 3 CO 0.00 -0.39 0.83 0.54 0.00 0.00 0.00 174.94 175.92 2o87 s VAL 4 N 2.48 4.32 0.19 2.92 0.11 -1.09 -4.85 120.40 124.48 2o87 s VAL 4 Ca 0.18 1.72 -0.27 0.00 -2.93 0.00 0.00 61.98 60.68 2o87 s VAL 4 Cb -0.15 -4.10 -0.08 0.00 -1.53 0.00 0.00 36.38 30.51 2o87 s VAL 4 CO 0.15 0.40 0.85 -0.75 -3.33 0.00 0.00 175.10 172.42 2o87 s LYS 5 N -1.46 4.69 0.04 1.54 2.20 -1.26 -1.49 119.74 124.00 2o87 s LYS 5 Ca 0.40 1.30 0.03 0.00 -0.36 0.00 0.00 55.97 57.34 2o87 s LYS 5 Cb -0.22 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2o87 s LYS 5 CO 0.26 0.54 -0.10 0.54 -0.36 0.00 0.00 175.35 176.23 2o87 s VAL 6 N -1.12 0.72 0.37 4.02 0.11 -0.58 -5.32 120.40 118.60 2o87 s VAL 6 Ca 0.38 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2o87 s VAL 6 Cb -0.24 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2o87 s VAL 6 CO 0.29 -0.20 0.13 0.35 -3.33 0.00 0.00 175.10 172.34 2o87 n THR 7 N 1.77 0.00 -0.10 5.04 -2.24 -1.26 -4.39 114.28 113.09 2o87 n THR 7 Ca -0.20 -2.16 0.01 0.00 -2.27 0.00 0.00 64.05 59.43 2o87 n THR 7 Cb 0.55 0.78 0.30 0.00 -2.10 0.00 0.00 70.33 69.86 2o87 n THR 7 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2o87 h ASP 8 N 1.48 0.67 -0.64 3.42 3.32 -1.89 -1.45 116.42 121.33 2o87 h ASP 8 Ca -0.29 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2o87 h ASP 8 Cb 1.10 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2o87 h ASP 8 CO 0.46 0.55 0.23 0.00 -1.72 0.00 0.00 179.24 178.75 2o87 h ALA 9 N 1.56 0.83 -0.20 3.45 0.00 -1.99 -3.31 119.26 119.61 2o87 h ALA 9 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2o87 h ALA 9 Cb 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2o87 h ALA 9 CO -0.03 0.48 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 2o87 n ASP 10 N -4.39 2.52 0.14 0.00 5.75 -1.18 -4.80 116.55 114.59 2o87 n ASP 10 Ca 0.04 -1.96 -0.12 0.00 -0.01 0.00 0.00 54.79 52.75 2o87 n ASP 10 Cb 0.19 -0.14 -0.07 0.00 -1.03 0.00 0.00 41.12 40.08 2o87 n ASP 10 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2o87 h PHE 11 N 1.27 -1.03 -0.79 2.11 3.57 -1.35 -0.64 116.94 120.09 2o87 h PHE 11 Ca 0.00 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.75 2o87 h PHE 11 Cb 0.62 0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 2o87 h PHE 11 CO 0.14 -0.44 0.60 -0.44 -2.23 0.00 0.00 178.31 175.94 2o87 h ASP 12 N -0.61 0.00 0.07 0.41 3.32 -1.84 0.24 116.42 118.01 2o87 h ASP 12 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2o87 h ASP 12 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2o87 h ASP 12 CO -0.13 0.00 -0.03 -1.28 -1.72 0.00 0.00 179.24 176.08 2o87 h SER 13 N 0.00 -0.08 0.64 6.45 0.87 -1.65 -3.34 113.55 116.43 2o87 h SER 13 Ca 0.37 -0.51 -0.18 0.00 -1.23 0.00 0.00 61.79 60.25 2o87 h SER 13 Cb 1.58 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.54 2o87 h SER 13 CO -0.00 0.52 -0.80 0.11 -0.53 0.00 0.00 176.83 176.13 2o87 h LYS 14 N -0.73 0.11 -3.74 2.24 1.79 -0.18 -3.39 116.57 112.67 2o87 h LYS 14 Ca -0.01 -0.11 -0.75 0.00 -2.18 0.00 0.00 60.65 57.59 2o87 h LYS 14 Cb 0.59 0.03 -0.29 0.00 -1.58 0.00 0.00 32.23 30.97 2o87 h LYS 14 CO 0.02 0.85 -0.08 0.08 -1.08 0.00 0.00 179.45 179.23 2o87 s VAL 15 N -3.29 4.90 0.00 0.50 1.01 0.75 -4.63 120.40 119.64 2o87 s VAL 15 Ca -0.02 -2.64 0.00 0.00 0.00 0.00 0.00 61.98 59.32 2o87 s VAL 15 Cb 0.11 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2o87 s VAL 15 CO 0.81 -0.97 0.00 -1.84 0.00 0.00 0.00 175.10 173.09 2o87 n GLU 16 N 3.80 0.00 -4.63 2.72 0.28 -1.26 -4.39 120.64 117.16 2o87 n GLU 16 Ca 0.11 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.86 2o87 n GLU 16 Cb 0.43 -0.11 -0.16 0.00 1.43 0.00 0.00 31.44 33.03 2o87 n GLU 16 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2o87 s SER 17 N -1.04 1.83 0.00 -1.84 1.04 -1.26 -2.41 113.70 110.02 2o87 s SER 17 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2o87 s SER 17 Cb 0.00 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.36 2o87 s SER 17 CO 0.00 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2o87 n GLY 18 N 3.64 -1.75 3.50 7.32 0.00 -1.26 -4.77 105.19 111.87 2o87 n GLY 18 Ca -0.22 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 2o87 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o87 s VAL 19 N 0.00 4.10 0.03 1.61 1.01 -1.26 -0.71 120.40 125.19 2o87 s VAL 19 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2o87 s VAL 19 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2o87 s VAL 19 CO 0.00 0.45 -0.12 -1.10 0.00 0.00 0.00 175.10 174.33 2o87 s GLN 20 N 0.68 0.82 -0.25 2.72 1.11 -0.26 -1.94 119.66 122.54 2o87 s GLN 20 Ca -0.00 -0.67 -0.02 0.00 0.01 0.00 0.00 55.36 54.68 2o87 s GLN 20 Cb -0.14 -0.79 0.02 0.00 -1.01 0.00 0.00 33.01 31.09 2o87 s GLN 20 CO 0.02 0.20 -0.04 -1.17 0.01 0.00 0.00 175.29 174.30 2o87 s LEU 21 N -1.02 3.22 -0.26 2.90 2.96 -0.07 0.30 118.68 126.72 2o87 s LEU 21 Ca 0.00 -0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 53.02 2o87 s LEU 21 Cb -0.07 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2o87 s LEU 21 CO 0.01 -0.12 0.12 -0.69 -1.32 0.00 0.00 176.35 174.34 2o87 s VAL 22 N 1.36 4.73 -0.41 1.68 1.01 -0.22 -1.11 120.40 127.44 2o87 s VAL 22 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 2o87 s VAL 22 Cb -0.16 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2o87 s VAL 22 CO -0.04 0.31 0.48 -0.62 0.00 0.00 0.00 175.10 175.23 2o87 s ASP 23 N 1.61 6.23 -0.37 3.32 2.15 0.30 -1.80 116.67 128.11 2o87 s ASP 23 Ca 0.06 -0.51 -0.21 0.00 0.43 0.00 0.00 52.55 52.32 2o87 s ASP 23 Cb -0.15 -2.24 0.01 0.00 -0.30 0.00 0.00 42.92 40.23 2o87 s ASP 23 CO 0.06 -0.59 0.67 -0.36 -0.17 0.00 0.00 175.17 174.78 2o87 s PHE 24 N 2.28 3.13 0.19 -5.34 0.40 -0.57 -0.88 117.98 117.19 2o87 s PHE 24 Ca 0.15 0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.86 2o87 s PHE 24 Cb -0.16 -3.22 -0.02 0.00 0.51 0.00 0.00 43.02 40.14 2o87 s PHE 24 CO 0.14 -0.68 0.15 -2.67 0.70 0.00 0.00 175.22 172.86 2o87 n TRP 25 N 6.15 -0.37 -3.46 0.36 4.27 -0.92 -3.36 117.44 120.10 2o87 n TRP 25 Ca -0.00 -1.53 -0.13 0.00 -3.89 0.00 0.00 57.50 51.95 2o87 n TRP 25 Cb 0.48 0.14 -0.03 0.00 -1.36 0.00 0.00 31.31 30.54 2o87 n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2o87 s ALA 26 N -2.73 -1.69 0.38 -1.67 0.00 -1.26 -0.78 121.76 114.02 2o87 s ALA 26 Ca 0.21 0.83 0.07 0.00 0.00 0.00 0.00 51.96 53.06 2o87 s ALA 26 Cb 0.01 0.52 0.74 0.00 0.00 0.00 0.00 23.12 24.39 2o87 s ALA 26 CO 0.15 -0.63 1.94 1.79 0.00 0.00 0.00 175.76 179.00 2o87 h THR 27 N 2.31 1.16 0.00 0.00 1.35 -2.01 -2.48 112.91 113.24 2o87 h THR 27 Ca -0.30 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2o87 h THR 27 Cb 1.25 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2o87 h THR 27 CO 0.37 0.22 0.00 -2.67 -0.25 0.00 0.00 175.52 173.19 2o87 n TRP 28 N -4.33 0.00 -2.80 4.73 4.27 -1.26 -4.75 117.44 113.30 2o87 n TRP 28 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 2o87 n TRP 28 Cb 0.21 -0.24 -0.04 0.00 -1.36 0.00 0.00 31.31 29.87 2o87 n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2o87 h GLY 30 N 11.02 0.37 2.00 0.00 0.00 -1.87 -2.89 103.07 111.70 2o87 h GLY 30 Ca -0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 2o87 h GLY 30 CO 1.09 0.22 -0.11 1.48 0.00 0.00 0.00 176.54 179.22 2o87 h SER 31 N 0.16 0.00 -0.46 0.19 4.64 -1.93 -2.22 113.55 113.93 2o87 h SER 31 Ca 0.07 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 2o87 h SER 31 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2o87 h SER 31 CO 0.00 0.11 -0.10 0.00 -0.87 0.00 0.00 176.83 175.97 2o87 h LYS 33 N 0.84 0.21 -0.22 0.00 -0.00 -1.23 -1.54 116.57 114.62 2o87 h LYS 33 Ca 0.13 -0.06 -0.13 0.00 -0.00 0.00 0.00 60.65 60.60 2o87 h LYS 33 Cb 0.64 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 32.83 2o87 h LYS 33 CO 0.04 0.40 -0.40 1.98 -0.00 0.00 0.00 179.45 181.47 2o87 h MET 34 N 0.20 0.51 0.00 0.07 4.05 -1.09 -3.15 114.93 115.51 2o87 h MET 34 Ca 0.04 -0.25 -0.19 0.00 -0.28 0.00 0.00 59.70 59.02 2o87 h MET 34 Cb 0.46 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 2o87 h MET 34 CO 0.03 0.82 -0.89 0.82 0.23 0.00 0.00 176.91 177.92 2o87 h ILE 35 N 0.42 1.58 -0.84 1.77 2.04 -0.74 -3.39 117.51 118.35 2o87 h ILE 35 Ca 0.04 -3.12 0.11 0.00 1.00 0.00 0.00 64.86 62.88 2o87 h ILE 35 Cb 0.89 2.71 -0.13 0.00 -0.74 0.00 0.00 36.82 39.55 2o87 h ILE 35 CO 0.08 0.87 -0.48 0.00 0.00 0.00 0.00 178.15 178.62 2o87 h ALA 36 N 1.11 -0.29 -0.37 1.87 0.00 -1.25 -0.14 119.26 120.18 2o87 h ALA 36 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2o87 h ALA 36 Cb 1.64 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 20.54 2o87 h ALA 36 CO 0.12 -0.83 0.25 -1.00 0.00 0.00 0.00 179.25 177.78 2o87 h PRO 37 N -0.09 0.47 -0.60 0.00 0.13 -1.76 -1.71 132.00 128.44 2o87 h PRO 37 Ca 0.21 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 2o87 h PRO 37 Cb 0.52 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.52 2o87 h PRO 37 CO -0.86 0.31 0.12 0.28 -0.23 0.00 0.00 178.00 177.62 2o87 h VAL 38 N 0.48 1.24 -0.34 1.56 2.07 -1.27 -2.57 116.25 117.42 2o87 h VAL 38 Ca 0.14 -0.92 -0.17 0.00 0.82 0.00 0.00 66.70 66.57 2o87 h VAL 38 Cb -0.01 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2o87 h VAL 38 CO -0.03 0.34 -0.47 -0.07 0.02 0.00 0.00 177.57 177.36 2o87 h LEU 39 N 0.90 0.99 -1.64 2.57 3.38 -0.64 -1.36 115.31 119.52 2o87 h LEU 39 Ca 0.19 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2o87 h LEU 39 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2o87 h LEU 39 CO 0.00 1.30 0.24 -0.33 0.09 0.00 0.00 178.44 179.75 2o87 h GLU 40 N 0.72 0.49 0.01 1.13 5.08 -1.17 0.32 114.58 121.16 2o87 h GLU 40 Ca 0.04 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2o87 h GLU 40 Cb 1.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2o87 h GLU 40 CO 0.11 0.32 -0.19 0.93 -1.00 0.00 0.00 179.01 179.19 2o87 h GLU 41 N 0.50 0.12 -0.94 2.33 5.08 -1.32 -3.21 114.58 117.14 2o87 h GLU 41 Ca 0.14 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2o87 h GLU 41 Cb -0.06 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2o87 h GLU 41 CO -0.03 0.91 0.60 1.25 -1.00 0.00 0.00 179.01 180.75 2o87 h LEU 42 N -0.62 0.89 -1.71 1.33 5.85 -0.81 -0.19 115.31 120.05 2o87 h LEU 42 Ca -0.03 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2o87 h LEU 42 Cb 0.99 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2o87 h LEU 42 CO 0.04 0.54 0.30 0.00 -0.34 0.00 0.00 178.44 178.97 2o87 h ALA 43 N 1.52 1.96 0.01 1.25 0.00 -0.42 -1.94 119.26 121.65 2o87 h ALA 43 Ca 0.43 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.10 2o87 h ALA 43 Cb 0.33 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.06 2o87 h ALA 43 CO -0.18 -0.04 -0.88 0.00 0.00 0.00 0.00 179.25 178.15 2o87 h ALA 44 N 1.76 0.09 0.00 0.00 0.00 -1.05 -3.03 119.26 117.03 2o87 h ALA 44 Ca 0.19 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2o87 h ALA 44 Cb 0.32 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2o87 h ALA 44 CO -0.05 0.55 -0.05 -0.44 0.00 0.00 0.00 179.25 179.26 2o87 h ASP 45 N 0.17 0.00 -0.15 0.00 3.32 -0.85 -2.90 116.42 116.01 2o87 h ASP 45 Ca -0.11 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2o87 h ASP 45 Cb 1.56 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.08 2o87 h ASP 45 CO 0.17 0.05 -0.16 -1.22 -1.72 0.00 0.00 179.24 176.36 2o87 n TYR 46 N -3.52 0.50 -1.67 4.55 4.02 -0.89 -4.98 117.16 115.17 2o87 n TYR 46 Ca -0.02 -1.30 -0.42 0.00 -0.01 0.00 0.00 57.90 56.15 2o87 n TYR 46 Cb 0.16 -0.31 -0.03 0.00 -0.02 0.00 0.00 39.34 39.14 2o87 n TYR 46 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2o87 n GLU 47 N -1.09 2.85 0.00 -0.72 2.13 -1.10 -0.50 120.64 122.21 2o87 n GLU 47 Ca 0.23 1.04 0.00 0.00 0.66 0.00 0.00 57.16 59.09 2o87 n GLU 47 Cb 0.82 -2.98 0.00 0.00 0.27 0.00 0.00 31.44 29.55 2o87 n GLU 47 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2o87 n GLY 48 N 4.43 1.88 0.32 8.31 0.00 -1.26 -4.81 105.19 114.06 2o87 n GLY 48 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 2o87 n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2o87 n LYS 49 N -2.00 0.43 -4.00 1.61 2.85 0.35 -5.06 118.16 112.35 2o87 n LYS 49 Ca 0.00 0.17 -0.08 0.00 -1.05 0.00 0.00 58.31 57.35 2o87 n LYS 49 Cb 0.00 -1.25 -0.10 0.00 -0.65 0.00 0.00 35.03 33.03 2o87 n LYS 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2o87 s ALA 50 N -2.37 0.19 -0.01 0.58 0.00 -0.26 -4.62 121.76 115.27 2o87 s ALA 50 Ca -0.28 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2o87 s ALA 50 Cb 0.10 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2o87 s ALA 50 CO 0.37 -0.30 0.03 -0.51 0.00 0.00 0.00 175.76 175.35 2o87 s ASP 51 N -2.24 5.31 -0.15 0.00 -0.00 -0.82 -4.55 116.67 114.21 2o87 s ASP 51 Ca -0.03 0.05 0.02 0.00 -0.00 0.00 0.00 52.55 52.58 2o87 s ASP 51 Cb -0.00 -1.44 0.01 0.00 -0.00 0.00 0.00 42.92 41.49 2o87 s ASP 51 CO -0.06 0.28 -0.20 -0.63 -0.00 0.00 0.00 175.17 174.56 2o87 s ILE 52 N -1.11 2.16 0.24 0.77 1.01 -1.26 -0.89 121.20 122.12 2o87 s ILE 52 Ca 0.20 -0.94 0.12 0.00 0.00 0.00 0.00 60.65 60.03 2o87 s ILE 52 Cb -0.12 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 2o87 s ILE 52 CO 0.11 0.54 -0.22 -0.76 0.00 0.00 0.00 174.94 174.61 2o87 s LEU 53 N 0.90 2.52 -0.06 2.97 1.43 -0.27 -2.68 118.68 123.49 2o87 s LEU 53 Ca -0.05 -0.95 0.05 0.00 -1.03 0.00 0.00 54.13 52.15 2o87 s LEU 53 Cb -0.15 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 2o87 s LEU 53 CO -0.04 0.07 -0.21 -0.54 0.23 0.00 0.00 176.35 175.87 2o87 s LYS 54 N -3.11 2.24 -0.18 1.70 1.02 -0.56 -0.54 119.74 120.32 2o87 s LYS 54 Ca 0.25 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 2o87 s LYS 54 Cb -0.06 -1.88 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 2o87 s LYS 54 CO 0.12 0.27 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.65 2o87 s LEU 55 N 0.05 1.45 -0.40 3.17 0.20 -0.06 -1.52 118.68 121.57 2o87 s LEU 55 Ca -0.07 -0.74 -0.29 0.00 0.69 0.00 0.00 54.13 53.73 2o87 s LEU 55 Cb -0.14 -0.76 -0.00 0.00 -0.43 0.00 0.00 46.19 44.86 2o87 s LEU 55 CO 0.04 -0.24 1.56 -0.62 -0.29 0.00 0.00 176.35 176.80 2o87 s ASP 56 N 1.73 6.14 0.54 3.68 -1.08 -1.26 -2.18 116.67 124.24 2o87 s ASP 56 Ca -0.00 0.96 0.21 0.00 -0.52 0.00 0.00 52.55 53.19 2o87 s ASP 56 Cb -0.16 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.21 2o87 s ASP 56 CO -0.07 -1.57 2.17 -0.37 0.52 0.00 0.00 175.17 175.85 2o87 h VAL 57 N 6.60 0.83 -0.32 1.11 -1.51 -1.25 -1.81 116.25 119.89 2o87 h VAL 57 Ca -0.30 -0.06 -0.13 0.00 -1.23 0.00 0.00 66.70 64.98 2o87 h VAL 57 Cb 1.13 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2o87 h VAL 57 CO 1.07 0.02 -0.33 0.44 -1.23 0.00 0.00 177.57 177.54 2o87 h ASP 58 N 0.00 0.75 0.45 4.19 3.32 -1.91 -2.73 116.42 120.49 2o87 h ASP 58 Ca -0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2o87 h ASP 58 Cb 0.03 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2o87 h ASP 58 CO 0.00 1.01 -0.48 -0.62 -1.72 0.00 0.00 179.24 177.44 2o87 n GLU 59 N -4.07 0.12 -3.06 3.56 4.71 -0.97 -4.42 120.64 116.52 2o87 n GLU 59 Ca -0.01 -0.07 -0.16 0.00 -0.01 0.00 0.00 57.16 56.91 2o87 n GLU 59 Cb 0.49 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.40 2o87 n GLU 59 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2o87 n ASN 60 N -1.38 1.04 0.17 1.62 3.02 -0.72 -4.87 115.26 114.14 2o87 n ASN 60 Ca 0.06 -2.95 0.06 0.00 -0.03 0.00 0.00 54.58 51.72 2o87 n ASN 60 Cb 0.34 -0.60 0.55 0.00 -0.61 0.00 0.00 39.78 39.46 2o87 n ASN 60 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2o87 h PRO 61 N 3.00 0.18 -0.53 3.52 0.13 -1.69 -3.04 132.00 133.57 2o87 h PRO 61 Ca 0.05 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 2o87 h PRO 61 Cb 1.01 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 2o87 h PRO 61 CO 0.51 0.15 0.04 0.66 -0.23 0.00 0.00 178.00 179.12 2o87 h SER 62 N 0.18 0.88 -0.23 1.44 4.64 -1.93 0.14 113.55 118.67 2o87 h SER 62 Ca 0.05 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.01 2o87 h SER 62 Cb 0.03 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 2o87 h SER 62 CO -0.01 0.95 -0.09 0.74 -0.87 0.00 0.00 176.83 177.56 2o87 h THR 63 N 0.79 1.23 -0.63 2.95 2.02 -1.93 0.16 112.91 117.49 2o87 h THR 63 Ca 0.15 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.24 2o87 h THR 63 Cb 0.47 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2o87 h THR 63 CO 0.02 0.34 0.09 0.00 0.37 0.00 0.00 175.52 176.34 2o87 h ALA 64 N 1.35 0.84 -0.29 6.16 0.00 -1.35 -2.80 119.26 123.18 2o87 h ALA 64 Ca 0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2o87 h ALA 64 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2o87 h ALA 64 CO 0.03 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.83 2o87 h ALA 65 N 1.03 0.39 -0.74 0.00 0.00 -0.13 -0.86 119.26 118.95 2o87 h ALA 65 Ca 0.19 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.96 2o87 h ALA 65 Cb 0.45 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2o87 h ALA 65 CO 0.01 0.20 0.49 -0.22 0.00 0.00 0.00 179.25 179.73 2o87 h LYS 66 N 0.31 0.47 -0.60 0.00 3.64 -0.54 -1.74 116.57 118.12 2o87 h LYS 66 Ca 0.07 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.25 2o87 h LYS 66 Cb 0.53 -0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.14 2o87 h LYS 66 CO 0.03 0.31 0.18 0.66 -2.27 0.00 0.00 179.45 178.36 2o87 n TYR 67 N -4.49 1.99 -3.49 1.91 4.02 -1.07 -4.95 117.16 111.08 2o87 n TYR 67 Ca 0.13 -1.21 -0.26 0.00 -0.01 0.00 0.00 57.90 56.56 2o87 n TYR 67 Cb 0.45 -0.60 0.01 0.00 -0.02 0.00 0.00 39.34 39.19 2o87 n TYR 67 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2o87 n GLU 68 N -0.39 -4.06 -2.58 -0.72 -0.58 -0.65 -4.89 120.64 106.77 2o87 n GLU 68 Ca 0.37 0.56 -0.42 0.00 -0.42 0.00 0.00 57.16 57.24 2o87 n GLU 68 Cb 1.25 -5.33 -0.03 0.00 -0.57 0.00 0.00 31.44 26.76 2o87 n GLU 68 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2o87 s VAL 69 N -3.07 3.92 -0.22 2.62 1.01 -0.34 -4.84 120.40 119.48 2o87 s VAL 69 Ca 0.47 0.67 -0.14 0.00 0.00 0.00 0.00 61.98 62.98 2o87 s VAL 69 Cb -0.24 -4.80 -0.18 0.00 0.00 0.00 0.00 36.38 31.17 2o87 s VAL 69 CO 0.58 -1.54 -0.00 0.23 0.00 0.00 0.00 175.10 174.37 2o87 n MET 70 N 8.76 0.62 -4.34 2.72 2.81 -1.26 -4.74 117.12 121.68 2o87 n MET 70 Ca 0.06 0.37 -0.25 0.00 -1.81 0.00 0.00 57.70 56.08 2o87 n MET 70 Cb 0.49 -1.63 -0.09 0.00 -0.71 0.00 0.00 33.22 31.28 2o87 n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2o87 s SER 71 N -7.06 4.18 0.07 7.83 1.04 -1.26 -5.15 113.70 113.34 2o87 s SER 71 Ca -0.32 -1.00 -0.05 0.00 0.48 0.00 0.00 55.95 55.07 2o87 s SER 71 Cb 0.09 -0.53 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 2o87 s SER 71 CO 0.59 -0.24 0.08 0.27 0.98 0.00 0.00 173.24 174.92 2o87 s ILE 72 N -2.52 0.18 0.46 -1.02 -4.36 -1.26 -4.22 121.20 108.45 2o87 s ILE 72 Ca 0.35 -1.48 -0.24 0.00 -0.26 0.00 0.00 60.65 59.03 2o87 s ILE 72 Cb 0.00 -1.41 -0.07 0.00 1.25 0.00 0.00 42.46 42.23 2o87 s ILE 72 CO 0.19 -0.82 1.23 -2.16 0.24 0.00 0.00 174.94 173.63 2o87 s PRO 73 N -3.84 3.71 -0.02 0.37 0.04 -1.26 -4.87 135.00 129.12 2o87 s PRO 73 Ca 0.06 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.07 2o87 s PRO 73 Cb 0.06 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2o87 s PRO 73 CO -0.10 -0.65 -0.09 0.99 0.04 0.00 0.00 177.00 177.20 2o87 s THR 74 N -1.42 0.73 -0.07 1.26 2.01 -1.21 -1.34 115.64 115.58 2o87 s THR 74 Ca 0.63 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.32 2o87 s THR 74 Cb -0.33 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2o87 s THR 74 CO 0.41 0.22 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.62 2o87 s LEU 75 N 0.09 1.88 -0.07 4.42 1.43 0.59 -1.51 118.68 125.50 2o87 s LEU 75 Ca -0.01 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 2o87 s LEU 75 Cb -0.07 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.06 2o87 s LEU 75 CO 0.00 0.11 -0.20 -0.63 0.23 0.00 0.00 176.35 175.87 2o87 s ILE 76 N 0.37 1.67 -0.24 -0.59 1.01 -0.74 -0.31 121.20 122.37 2o87 s ILE 76 Ca -0.13 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.54 2o87 s ILE 76 Cb -0.16 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2o87 s ILE 76 CO 0.05 0.47 0.43 -0.69 0.00 0.00 0.00 174.94 175.21 2o87 s VAL 77 N 0.24 5.15 -0.02 2.92 1.01 0.08 -1.05 120.40 128.73 2o87 s VAL 77 Ca -0.11 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.60 2o87 s VAL 77 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2o87 s VAL 77 CO 0.05 0.16 0.01 -0.36 0.00 0.00 0.00 175.10 174.97 2o87 s PHE 78 N 1.89 3.12 -0.06 5.22 0.40 0.15 -0.11 117.98 128.59 2o87 s PHE 78 Ca 0.18 0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.63 2o87 s PHE 78 Cb -0.15 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.70 2o87 s PHE 78 CO 0.09 0.47 -0.01 0.21 0.70 0.00 0.00 175.22 176.68 2o87 s LYS 79 N -1.45 0.64 -1.34 0.44 2.20 0.09 -1.10 119.74 119.21 2o87 s LYS 79 Ca 0.19 0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 55.69 2o87 s LYS 79 Cb -0.12 -0.89 0.01 0.00 -1.51 0.00 0.00 37.83 35.33 2o87 s LYS 79 CO 0.09 -0.22 0.44 -0.25 -0.36 0.00 0.00 175.35 175.05 2o87 n ASP 80 N 4.74 -2.01 0.00 1.43 8.00 0.11 -0.76 116.55 128.06 2o87 n ASP 80 Ca -0.14 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.17 2o87 n ASP 80 Cb 0.50 -2.22 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 2o87 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o87 n GLY 81 N -2.15 0.38 3.31 0.44 0.00 -1.01 -4.84 105.19 101.32 2o87 n GLY 81 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2o87 n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o87 s GLN 82 N -0.73 2.65 -0.08 1.61 -1.52 0.06 -4.92 119.66 116.73 2o87 s GLN 82 Ca 0.00 -0.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.27 2o87 s GLN 82 Cb 0.00 -2.26 -0.04 0.00 -0.22 0.00 0.00 33.01 30.49 2o87 s GLN 82 CO 0.00 0.40 1.46 -1.25 -0.25 0.00 0.00 175.29 175.65 2o87 s PRO 83 N -0.19 4.22 0.00 2.91 0.04 -1.26 -0.73 135.00 139.99 2o87 s PRO 83 Ca -0.02 1.95 0.02 0.00 0.04 0.00 0.00 61.00 62.99 2o87 s PRO 83 Cb -0.14 -3.80 -0.01 0.00 0.04 0.00 0.00 34.50 30.59 2o87 s PRO 83 CO 0.03 -0.73 0.19 1.33 0.04 0.00 0.00 177.00 177.87 2o87 n VAL 84 N 5.23 0.00 -3.50 -0.36 0.24 0.84 -4.95 118.33 115.83 2o87 n VAL 84 Ca 0.15 -0.47 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 2o87 n VAL 84 Cb 0.44 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 2o87 n VAL 84 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2o87 s ASP 85 N -0.87 -0.59 -0.02 -1.34 -1.08 -1.16 -4.98 116.67 106.64 2o87 s ASP 85 Ca 0.01 0.37 -0.01 0.00 -0.52 0.00 0.00 52.55 52.40 2o87 s ASP 85 Cb 0.01 0.55 0.02 0.00 -1.46 0.00 0.00 42.92 42.04 2o87 s ASP 85 CO 0.05 -0.75 0.04 -0.75 0.52 0.00 0.00 175.17 174.28 2o87 s LYS 86 N -2.30 -0.00 -0.07 4.34 2.20 -1.26 -0.74 119.74 121.91 2o87 s LYS 86 Ca -0.06 0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 2o87 s LYS 86 Cb -0.00 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 2o87 s LYS 86 CO -0.00 -0.11 -0.18 0.08 -0.36 0.00 0.00 175.35 174.78 2o87 s VAL 87 N 0.72 1.54 0.06 4.02 1.01 0.57 -4.99 120.40 123.33 2o87 s VAL 87 Ca -0.06 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.26 2o87 s VAL 87 Cb -0.08 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2o87 s VAL 87 CO -0.02 0.44 -0.17 -0.69 0.00 0.00 0.00 175.10 174.66 2o87 s VAL 88 N 0.40 2.87 0.13 2.92 1.01 -1.26 -0.30 120.40 126.16 2o87 s VAL 88 Ca -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2o87 s VAL 88 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2o87 s VAL 88 CO 0.05 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2o87 n GLY 89 N 1.36 -2.03 3.76 4.51 0.00 -0.45 -4.84 105.19 107.50 2o87 n GLY 89 Ca -0.16 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2o87 n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o87 s PHE 90 N -1.33 2.60 -0.13 1.61 5.36 -1.26 -4.85 117.98 119.97 2o87 s PHE 90 Ca 0.00 1.37 -0.09 0.00 -0.96 0.00 0.00 56.93 57.24 2o87 s PHE 90 Cb 0.00 -3.75 0.04 0.00 -0.34 0.00 0.00 43.02 38.97 2o87 s PHE 90 CO 0.00 -2.47 0.33 -0.65 -1.46 0.00 0.00 175.22 170.97 2o87 s GLN 91 N -2.49 0.34 0.75 10.12 -1.52 -1.26 -5.16 119.66 120.43 2o87 s GLN 91 Ca 0.62 0.55 -0.11 0.00 -1.95 0.00 0.00 55.36 54.47 2o87 s GLN 91 Cb -0.39 0.06 0.04 0.00 -0.22 0.00 0.00 33.01 32.50 2o87 s GLN 91 CO 0.50 -0.10 1.08 -1.25 -0.25 0.00 0.00 175.29 175.26 2o87 s PRO 92 N 0.72 2.49 0.24 2.91 0.04 -1.26 -4.86 135.00 135.28 2o87 s PRO 92 Ca -0.04 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.97 2o87 s PRO 92 Cb -0.06 -1.93 0.36 0.00 0.04 0.00 0.00 34.50 32.92 2o87 s PRO 92 CO -0.05 -1.45 1.62 -0.22 0.04 0.00 0.00 177.00 176.95 2o87 h LYS 93 N -0.98 0.05 -0.12 4.56 3.11 -2.00 -2.51 116.57 118.68 2o87 h LYS 93 Ca -0.44 -0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.44 2o87 h LYS 93 Cb 1.22 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 32.38 2o87 h LYS 93 CO 0.54 0.03 -0.37 0.93 -2.81 0.00 0.00 179.45 177.77 2o87 h GLU 94 N 0.05 -0.43 -0.76 1.90 3.07 -1.99 -1.64 114.58 114.78 2o87 h GLU 94 Ca 0.38 0.03 0.11 0.00 -0.50 0.00 0.00 59.36 59.37 2o87 h GLU 94 Cb 0.63 0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 28.56 2o87 h GLU 94 CO -0.69 -0.29 0.39 -0.91 -1.40 0.00 0.00 179.01 176.10 2o87 h ASN 95 N -0.45 0.50 -0.50 1.42 2.35 -1.82 -0.01 115.58 117.06 2o87 h ASN 95 Ca 0.08 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 2o87 h ASN 95 Cb 0.59 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 2o87 h ASN 95 CO -0.37 0.26 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.58 2o87 h LEU 96 N 0.63 0.93 -0.75 1.61 3.38 -1.28 -1.97 115.31 117.87 2o87 h LEU 96 Ca 0.38 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2o87 h LEU 96 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2o87 h LEU 96 CO -0.29 1.00 -0.23 0.00 0.09 0.00 0.00 178.44 179.01 2o87 h ALA 97 N 1.09 0.93 -0.15 1.53 0.00 -0.71 -2.00 119.26 119.94 2o87 h ALA 97 Ca 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2o87 h ALA 97 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2o87 h ALA 97 CO 0.03 0.62 0.01 1.49 0.00 0.00 0.00 179.25 181.39 2o87 h GLU 98 N 0.61 0.21 0.03 0.00 4.22 -0.58 -0.98 114.58 118.10 2o87 h GLU 98 Ca 0.09 -0.03 -0.24 0.00 0.08 0.00 0.00 59.36 59.26 2o87 h GLU 98 Cb 0.72 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2o87 h GLU 98 CO 0.06 0.23 -1.01 0.28 -2.18 0.00 0.00 179.01 176.38 2o87 h VAL 99 N 0.21 1.41 -0.09 0.32 2.07 -0.75 -3.13 116.25 116.30 2o87 h VAL 99 Ca 0.05 -2.55 -0.04 0.00 0.82 0.00 0.00 66.70 64.98 2o87 h VAL 99 Cb 0.14 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2o87 h VAL 99 CO 0.00 0.76 -0.10 -0.07 0.02 0.00 0.00 177.57 178.18 2o87 h LEU 100 N 0.21 0.25 -2.15 2.57 3.38 -0.73 -3.06 115.31 115.78 2o87 h LEU 100 Ca -0.10 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.41 2o87 h LEU 100 Cb 1.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2o87 h LEU 100 CO 0.18 0.70 0.11 0.44 0.09 0.00 0.00 178.44 179.95 2o87 h ASP 101 N -0.19 0.00 0.14 -0.43 3.32 -1.32 0.17 116.42 118.10 2o87 h ASP 101 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2o87 h ASP 101 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2o87 h ASP 101 CO 0.02 0.00 0.00 1.17 -1.72 0.00 0.00 179.24 178.71 2o87 n LYS 102 N -4.21 0.38 0.00 3.56 3.00 -1.16 -3.11 118.16 116.63 2o87 n LYS 102 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2o87 n LYS 102 Cb 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.75 2o87 n LYS 102 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2o87 n HIS 103 N -1.13 0.00 1.66 5.64 8.25 0.52 -5.10 115.22 125.06 2o87 n HIS 103 Ca 0.10 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.71 2o87 n HIS 103 Cb 0.09 0.00 0.66 0.00 1.12 0.00 0.00 29.99 31.86 2o87 n HIS 103 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26