#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o85 s ILE 3 N 0.00 5.24 -0.01 0.00 1.01 -1.26 -4.81 121.20 121.36 2o85 s ILE 3 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 2o85 s ILE 3 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 2o85 s ILE 3 CO 0.00 0.17 0.52 0.54 0.00 0.00 0.00 174.94 176.17 2o85 s VAL 4 N 1.90 4.97 0.51 2.92 0.11 -1.17 -4.90 120.40 124.74 2o85 s VAL 4 Ca 0.10 1.08 -0.18 0.00 -2.93 0.00 0.00 61.98 60.06 2o85 s VAL 4 Cb -0.16 -3.85 -0.08 0.00 -1.53 0.00 0.00 36.38 30.76 2o85 s VAL 4 CO 0.11 0.46 1.00 -1.59 -3.33 0.00 0.00 175.10 171.74 2o85 s LYS 5 N -0.38 3.87 0.03 1.54 0.00 -1.26 -1.58 119.74 121.95 2o85 s LYS 5 Ca 0.28 1.07 0.00 0.00 0.00 0.00 0.00 55.97 57.32 2o85 s LYS 5 Cb -0.17 -2.12 -0.02 0.00 0.00 0.00 0.00 37.83 35.51 2o85 s LYS 5 CO 0.15 -0.35 -0.04 0.54 0.00 0.00 0.00 175.35 175.66 2o85 s VAL 6 N -2.45 0.18 0.36 1.79 0.11 0.24 -4.82 120.40 115.80 2o85 s VAL 6 Ca 0.61 -1.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 2o85 s VAL 6 Cb -0.11 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 2o85 s VAL 6 CO 0.28 -0.52 0.13 0.42 -3.33 0.00 0.00 175.10 172.08 2o85 s THR 7 N -1.62 0.60 0.45 5.04 -4.23 -1.26 -4.42 115.64 110.19 2o85 s THR 7 Ca -0.14 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.51 2o85 s THR 7 Cb -0.09 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.58 2o85 s THR 7 CO -0.01 0.00 2.03 0.44 -0.54 0.00 0.00 174.62 176.53 2o85 h ASP 8 N 1.98 0.32 -0.08 3.99 3.32 -1.89 -1.74 116.42 122.32 2o85 h ASP 8 Ca -0.35 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.57 2o85 h ASP 8 Cb 1.26 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2o85 h ASP 8 CO 0.57 0.21 -0.39 0.00 -1.72 0.00 0.00 179.24 177.91 2o85 h ALA 9 N 1.75 0.85 -0.06 3.45 0.00 -1.99 -3.34 119.26 119.92 2o85 h ALA 9 Ca 0.20 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2o85 h ALA 9 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2o85 h ALA 9 CO -0.05 0.64 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 2o85 n ASP 10 N -4.04 2.23 0.10 0.00 5.75 -1.11 -4.81 116.55 114.68 2o85 n ASP 10 Ca -0.02 -2.13 -0.13 0.00 -0.01 0.00 0.00 54.79 52.51 2o85 n ASP 10 Cb 0.51 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 2o85 n ASP 10 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2o85 h PHE 11 N 0.38 -0.79 0.00 2.11 3.57 -1.44 -0.99 116.94 119.78 2o85 h PHE 11 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2o85 h PHE 11 Cb 0.61 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2o85 h PHE 11 CO 0.05 -0.39 -0.09 -0.44 -2.23 0.00 0.00 178.31 175.21 2o85 h ASP 12 N -0.49 0.00 -0.17 0.41 3.32 -1.86 0.90 116.42 118.54 2o85 h ASP 12 Ca 0.04 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 2o85 h ASP 12 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2o85 h ASP 12 CO -0.19 0.09 -0.38 -1.28 -1.72 0.00 0.00 179.24 175.76 2o85 h SER 13 N 0.00 0.63 1.17 6.45 0.87 -1.68 -3.33 113.55 117.66 2o85 h SER 13 Ca -0.00 -0.57 -0.07 0.00 -1.23 0.00 0.00 61.79 59.93 2o85 h SER 13 Cb 0.22 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2o85 h SER 13 CO 0.01 1.08 -0.86 0.11 -0.53 0.00 0.00 176.83 176.64 2o85 h LYS 14 N 0.20 0.00 -3.52 2.24 1.57 -0.67 -3.41 116.57 112.99 2o85 h LYS 14 Ca -0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 2o85 h LYS 14 Cb 0.99 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.95 2o85 h LYS 14 CO 0.08 0.17 -0.30 0.08 -0.57 0.00 0.00 179.45 178.92 2o85 s VAL 15 N -3.14 3.90 0.00 0.50 1.01 0.26 -4.73 120.40 118.21 2o85 s VAL 15 Ca 0.01 -3.14 0.00 0.00 0.00 0.00 0.00 61.98 58.85 2o85 s VAL 15 Cb 0.08 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2o85 s VAL 15 CO 0.77 -0.93 0.00 -0.62 0.00 0.00 0.00 175.10 174.32 2o85 n GLU 16 N 3.25 0.02 -3.98 2.72 1.02 -1.26 -4.33 120.64 118.08 2o85 n GLU 16 Ca 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 2o85 n GLU 16 Cb 0.38 -0.29 -0.15 0.00 -0.02 0.00 0.00 31.44 31.36 2o85 n GLU 16 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2o85 s SER 17 N -0.99 0.32 0.00 1.62 1.04 -1.26 -2.98 113.70 111.44 2o85 s SER 17 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2o85 s SER 17 Cb 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2o85 s SER 17 CO 0.00 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2o85 n GLY 18 N 3.35 -1.72 3.46 7.32 0.00 -1.26 -4.73 105.19 111.60 2o85 n GLY 18 Ca -0.17 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 2o85 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o85 s VAL 19 N 0.00 3.86 0.04 1.61 1.01 -1.26 -0.63 120.40 125.03 2o85 s VAL 19 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2o85 s VAL 19 Cb 0.00 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2o85 s VAL 19 CO 0.00 0.46 -0.16 -1.10 0.00 0.00 0.00 175.10 174.30 2o85 s GLN 20 N 0.74 1.07 -0.22 2.72 1.11 -0.69 -1.98 119.66 122.41 2o85 s GLN 20 Ca -0.01 -0.82 -0.04 0.00 0.01 0.00 0.00 55.36 54.50 2o85 s GLN 20 Cb -0.14 -1.11 -0.01 0.00 -1.01 0.00 0.00 33.01 30.73 2o85 s GLN 20 CO 0.02 0.28 -0.05 -1.17 0.01 0.00 0.00 175.29 174.38 2o85 s LEU 21 N -1.18 2.89 -0.22 2.90 2.96 0.92 -0.40 118.68 126.53 2o85 s LEU 21 Ca 0.03 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 2o85 s LEU 21 Cb -0.08 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2o85 s LEU 21 CO 0.01 -0.01 0.02 -0.69 -1.32 0.00 0.00 176.35 174.37 2o85 s VAL 22 N 1.44 4.02 -0.38 1.68 1.01 -0.60 -0.11 120.40 127.46 2o85 s VAL 22 Ca 0.05 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 2o85 s VAL 22 Cb -0.14 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.39 2o85 s VAL 22 CO -0.03 0.39 0.44 -0.62 0.00 0.00 0.00 175.10 175.28 2o85 s ASP 23 N 1.33 6.22 -0.44 3.32 2.15 0.11 -2.04 116.67 127.31 2o85 s ASP 23 Ca 0.04 -0.38 -0.20 0.00 0.43 0.00 0.00 52.55 52.45 2o85 s ASP 23 Cb -0.15 -2.23 0.03 0.00 -0.30 0.00 0.00 42.92 40.27 2o85 s ASP 23 CO 0.02 -0.49 0.62 -0.36 -0.17 0.00 0.00 175.17 174.78 2o85 s PHE 24 N 2.18 3.08 0.29 -5.34 0.40 -0.70 -0.58 117.98 117.31 2o85 s PHE 24 Ca 0.14 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.37 2o85 s PHE 24 Cb -0.16 -3.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.05 2o85 s PHE 24 CO 0.13 -0.86 0.13 -2.67 0.70 0.00 0.00 175.22 172.65 2o85 n TRP 25 N 6.18 -0.05 -3.51 0.36 4.27 -0.96 -3.37 117.44 120.35 2o85 n TRP 25 Ca -0.03 -1.98 -0.17 0.00 -3.89 0.00 0.00 57.50 51.43 2o85 n TRP 25 Cb 0.48 0.04 -0.05 0.00 -1.36 0.00 0.00 31.31 30.42 2o85 n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2o85 s ALA 26 N -2.87 -1.76 0.50 -1.67 0.00 -1.26 -0.80 121.76 113.90 2o85 s ALA 26 Ca 0.18 1.23 0.17 0.00 0.00 0.00 0.00 51.96 53.55 2o85 s ALA 26 Cb 0.01 0.08 1.25 0.00 0.00 0.00 0.00 23.12 24.45 2o85 s ALA 26 CO 0.13 -0.42 2.11 1.79 0.00 0.00 0.00 175.76 179.37 2o85 h THR 27 N 2.84 0.98 -0.01 0.00 1.35 -2.01 -2.02 112.91 114.04 2o85 h THR 27 Ca -0.27 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2o85 h THR 27 Cb 1.16 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2o85 h THR 27 CO 0.38 0.06 -0.01 -2.67 -0.25 0.00 0.00 175.52 173.04 2o85 n TRP 28 N -4.37 0.00 -2.94 4.73 4.27 -1.26 -4.79 117.44 113.09 2o85 n TRP 28 Ca -0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.15 2o85 n TRP 28 Cb 0.14 -0.01 -0.05 0.00 -1.36 0.00 0.00 31.31 30.03 2o85 n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2o85 h GLY 30 N 10.75 0.46 2.00 0.00 0.00 -1.87 -2.66 103.07 111.75 2o85 h GLY 30 Ca -0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2o85 h GLY 30 CO 1.10 0.20 -0.18 -0.84 0.00 0.00 0.00 176.54 176.82 2o85 h THR 31 N 0.37 1.08 -0.29 4.70 2.02 -1.93 -2.05 112.91 116.80 2o85 h THR 31 Ca 0.11 -0.64 -0.10 0.00 0.77 0.00 0.00 66.41 66.55 2o85 h THR 31 Cb 0.08 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2o85 h THR 31 CO -0.02 0.18 -0.24 0.00 0.37 0.00 0.00 175.52 175.82 2o85 h LYS 33 N 0.50 0.00 0.00 0.00 -0.00 -1.11 -2.50 116.57 113.46 2o85 h LYS 33 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.61 2o85 h LYS 33 Cb 0.68 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.90 2o85 h LYS 33 CO 0.05 0.49 -0.54 1.98 -0.00 0.00 0.00 179.45 181.43 2o85 h MET 34 N 0.00 0.00 0.00 0.07 4.05 -1.04 -3.17 114.93 114.84 2o85 h MET 34 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2o85 h MET 34 Cb 0.93 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 2o85 h MET 34 CO 0.06 0.54 -0.98 0.44 0.23 0.00 0.00 176.91 177.21 2o85 n ILE 35 N -3.80 0.13 -0.11 1.77 -5.35 -0.98 -4.48 119.36 106.55 2o85 n ILE 35 Ca -0.01 -0.20 -0.06 0.00 -0.27 0.00 0.00 62.75 62.21 2o85 n ILE 35 Cb 0.57 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 2o85 n ILE 35 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2o85 h ALA 36 N 2.63 0.02 -0.20 -1.28 0.00 -1.42 -1.27 119.26 117.73 2o85 h ALA 36 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2o85 h ALA 36 Cb 0.69 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2o85 h ALA 36 CO 0.00 -0.61 0.04 -1.00 0.00 0.00 0.00 179.25 177.69 2o85 h PRO 37 N -0.17 0.29 -0.13 0.00 0.13 -1.78 -2.09 132.00 128.24 2o85 h PRO 37 Ca 0.19 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 2o85 h PRO 37 Cb 0.46 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 2o85 h PRO 37 CO -0.48 0.28 -0.31 0.28 -0.23 0.00 0.00 178.00 177.54 2o85 h VAL 38 N 0.29 1.26 0.04 1.56 2.07 -1.51 -2.80 116.25 117.16 2o85 h VAL 38 Ca 0.07 -1.26 -0.22 0.00 0.82 0.00 0.00 66.70 66.11 2o85 h VAL 38 Cb 0.13 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2o85 h VAL 38 CO -0.00 0.38 -1.00 -0.07 0.02 0.00 0.00 177.57 176.90 2o85 h LEU 39 N 0.22 0.27 -1.13 2.57 3.38 -0.75 -2.28 115.31 117.58 2o85 h LEU 39 Ca 0.03 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2o85 h LEU 39 Cb 0.66 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2o85 h LEU 39 CO 0.05 1.11 -0.00 -0.33 0.09 0.00 0.00 178.44 179.36 2o85 h GLU 40 N 0.09 0.60 0.03 1.13 5.08 -1.25 0.18 114.58 120.44 2o85 h GLU 40 Ca -0.06 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2o85 h GLU 40 Cb 1.68 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2o85 h GLU 40 CO 0.15 0.63 -0.01 0.93 -1.00 0.00 0.00 179.01 179.71 2o85 h GLU 41 N 0.57 -0.03 -0.80 2.33 5.08 -1.50 -3.08 114.58 117.14 2o85 h GLU 41 Ca 0.12 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.63 2o85 h GLU 41 Cb 0.37 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 2o85 h GLU 41 CO 0.01 0.57 0.37 1.25 -1.00 0.00 0.00 179.01 180.22 2o85 h LEU 42 N -0.68 0.41 -0.89 1.33 5.85 -1.19 0.23 115.31 120.36 2o85 h LEU 42 Ca -0.00 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.91 2o85 h LEU 42 Cb 0.62 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 2o85 h LEU 42 CO 0.01 0.16 0.54 0.00 -0.34 0.00 0.00 178.44 178.80 2o85 h ALA 43 N 1.55 1.29 -0.29 1.25 0.00 -0.65 -1.66 119.26 120.75 2o85 h ALA 43 Ca 0.44 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 2o85 h ALA 43 Cb 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2o85 h ALA 43 CO -0.38 0.18 -0.09 0.00 0.00 0.00 0.00 179.25 178.95 2o85 h ALA 44 N 1.47 0.41 -0.03 0.00 0.00 -0.91 -2.58 119.26 117.63 2o85 h ALA 44 Ca 0.43 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2o85 h ALA 44 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2o85 h ALA 44 CO -0.24 0.25 0.11 -0.44 0.00 0.00 0.00 179.25 178.93 2o85 h ASP 45 N 0.34 0.00 0.00 0.00 5.19 -0.38 -2.91 116.42 118.67 2o85 h ASP 45 Ca 0.07 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 2o85 h ASP 45 Cb 0.59 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.05 2o85 h ASP 45 CO 0.03 0.00 -0.47 -1.22 -3.12 0.00 0.00 179.24 174.46 2o85 n TYR 46 N -3.22 0.00 -1.81 4.55 4.02 -0.76 -4.99 117.16 114.96 2o85 n TYR 46 Ca -0.02 -1.20 -0.42 0.00 -0.01 0.00 0.00 57.90 56.25 2o85 n TYR 46 Cb 0.18 -0.21 -0.03 0.00 -0.02 0.00 0.00 39.34 39.26 2o85 n TYR 46 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2o85 s GLU 47 N -2.59 4.16 0.00 -0.72 2.02 -1.00 -0.78 118.70 119.79 2o85 s GLU 47 Ca 0.35 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.82 2o85 s GLU 47 Cb 0.34 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.98 2o85 s GLU 47 CO -0.06 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.84 2o85 n GLY 48 N 4.13 1.45 0.34 -1.39 0.00 -1.26 -4.83 105.19 103.63 2o85 n GLY 48 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2o85 n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2o85 n LYS 49 N -2.00 0.41 -3.89 1.61 2.85 0.04 -5.07 118.16 112.10 2o85 n LYS 49 Ca 0.00 0.16 -0.09 0.00 -1.05 0.00 0.00 58.31 57.33 2o85 n LYS 49 Cb 0.00 -1.21 -0.08 0.00 -0.65 0.00 0.00 35.03 33.09 2o85 n LYS 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2o85 s ALA 50 N -2.34 -0.13 -0.09 0.58 0.00 -0.75 -4.64 121.76 114.39 2o85 s ALA 50 Ca -0.26 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2o85 s ALA 50 Cb 0.09 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 2o85 s ALA 50 CO 0.35 -0.46 -0.01 -0.51 0.00 0.00 0.00 175.76 175.13 2o85 s ASP 51 N -2.73 5.16 -0.18 0.00 -0.00 -0.84 -4.61 116.67 113.48 2o85 s ASP 51 Ca 0.03 0.12 -0.01 0.00 -0.00 0.00 0.00 52.55 52.68 2o85 s ASP 51 Cb 0.04 -1.46 -0.00 0.00 -0.00 0.00 0.00 42.92 41.50 2o85 s ASP 51 CO -0.10 0.37 -0.11 -0.63 -0.00 0.00 0.00 175.17 174.70 2o85 s ILE 52 N -0.81 2.98 0.20 0.77 1.01 -1.26 -0.06 121.20 124.03 2o85 s ILE 52 Ca 0.12 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.24 2o85 s ILE 52 Cb -0.11 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2o85 s ILE 52 CO 0.02 0.48 -0.23 -0.76 0.00 0.00 0.00 174.94 174.45 2o85 s LEU 53 N 1.03 2.47 -0.04 2.97 1.43 0.84 -3.06 118.68 124.32 2o85 s LEU 53 Ca -0.01 -0.87 0.07 0.00 -1.03 0.00 0.00 54.13 52.29 2o85 s LEU 53 Cb -0.15 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 2o85 s LEU 53 CO -0.02 0.11 -0.25 -0.54 0.23 0.00 0.00 176.35 175.88 2o85 s LYS 54 N -2.74 2.37 -0.17 1.70 1.02 -0.62 0.08 119.74 121.38 2o85 s LYS 54 Ca 0.22 -0.91 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 2o85 s LYS 54 Cb -0.08 -2.11 0.05 0.00 -0.52 0.00 0.00 37.83 35.18 2o85 s LYS 54 CO 0.10 0.45 0.02 -1.17 -0.92 0.00 0.00 175.35 173.84 2o85 s LEU 55 N -0.34 1.10 -0.23 3.17 0.20 0.25 -0.59 118.68 122.24 2o85 s LEU 55 Ca 0.02 -0.68 -0.29 0.00 0.69 0.00 0.00 54.13 53.86 2o85 s LEU 55 Cb -0.12 -0.58 -0.02 0.00 -0.43 0.00 0.00 46.19 45.03 2o85 s LEU 55 CO 0.02 -0.28 1.55 -0.62 -0.29 0.00 0.00 176.35 176.73 2o85 s ASP 56 N 1.87 6.46 0.54 3.68 -1.08 -1.26 -2.27 116.67 124.61 2o85 s ASP 56 Ca 0.00 1.56 0.32 0.00 -0.52 0.00 0.00 52.55 53.91 2o85 s ASP 56 Cb -0.16 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.19 2o85 s ASP 56 CO -0.07 -1.20 2.02 -0.37 0.52 0.00 0.00 175.17 176.06 2o85 h VAL 57 N 6.08 0.22 -0.12 1.11 -1.51 -1.26 -1.98 116.25 118.79 2o85 h VAL 57 Ca -0.32 -0.58 -0.23 0.00 -1.23 0.00 0.00 66.70 64.34 2o85 h VAL 57 Cb 1.14 1.47 0.01 0.00 -2.13 0.00 0.00 31.29 31.78 2o85 h VAL 57 CO 1.01 0.07 -0.82 0.44 -1.23 0.00 0.00 177.57 177.04 2o85 h ASP 58 N 0.00 0.90 0.96 4.19 3.32 -1.91 -3.11 116.42 120.76 2o85 h ASP 58 Ca -0.00 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2o85 h ASP 58 Cb 0.46 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2o85 h ASP 58 CO 0.01 1.41 -0.37 -0.62 -1.72 0.00 0.00 179.24 177.94 2o85 n GLU 59 N -3.91 0.19 -3.17 3.56 4.71 -1.14 -4.36 120.64 116.52 2o85 n GLU 59 Ca -0.08 0.09 -0.22 0.00 -0.01 0.00 0.00 57.16 56.94 2o85 n GLU 59 Cb 0.77 -1.65 -0.05 0.00 -1.01 0.00 0.00 31.44 29.50 2o85 n GLU 59 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2o85 n ASN 60 N -1.95 1.65 -0.04 1.62 3.02 -0.76 -4.88 115.26 113.92 2o85 n ASN 60 Ca 0.05 -3.10 0.03 0.00 -0.03 0.00 0.00 54.58 51.52 2o85 n ASN 60 Cb 0.40 -0.62 0.38 0.00 -0.61 0.00 0.00 39.78 39.33 2o85 n ASN 60 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2o85 h PRO 61 N 3.37 0.63 -0.55 3.52 0.13 -1.74 -3.18 132.00 134.18 2o85 h PRO 61 Ca 0.11 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.08 2o85 h PRO 61 Cb 0.83 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2o85 h PRO 61 CO 0.58 0.43 -0.10 0.66 -0.23 0.00 0.00 178.00 179.35 2o85 h SER 62 N 0.65 1.03 -0.20 1.44 4.64 -1.93 -0.38 113.55 118.79 2o85 h SER 62 Ca 0.17 -0.34 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 2o85 h SER 62 Cb -0.04 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.75 2o85 h SER 62 CO -0.03 1.13 -0.29 0.74 -0.87 0.00 0.00 176.83 177.51 2o85 h THR 63 N 0.92 1.28 -0.60 2.95 2.02 -1.95 0.42 112.91 117.94 2o85 h THR 63 Ca 0.14 -1.40 -0.07 0.00 0.77 0.00 0.00 66.41 65.85 2o85 h THR 63 Cb 0.67 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2o85 h THR 63 CO 0.05 0.46 0.10 0.00 0.37 0.00 0.00 175.52 176.50 2o85 h ALA 64 N 1.09 0.80 -0.44 6.16 0.00 -1.50 -2.76 119.26 122.62 2o85 h ALA 64 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2o85 h ALA 64 Cb 0.79 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2o85 h ALA 64 CO 0.06 0.55 -0.24 0.00 0.00 0.00 0.00 179.25 179.63 2o85 h ALA 65 N 1.02 0.62 -1.00 0.00 0.00 -0.81 -1.33 119.26 117.78 2o85 h ALA 65 Ca 0.18 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2o85 h ALA 65 Cb 0.42 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2o85 h ALA 65 CO 0.01 0.63 0.64 -0.22 0.00 0.00 0.00 179.25 180.31 2o85 h LYS 66 N 0.78 1.06 -0.72 0.00 3.64 -0.70 -2.32 116.57 118.31 2o85 h LYS 66 Ca 0.09 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 2o85 h LYS 66 Cb 0.82 -0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 32.30 2o85 h LYS 66 CO 0.07 0.70 0.22 0.66 -2.27 0.00 0.00 179.45 178.83 2o85 n TYR 67 N -4.55 2.43 -3.44 1.91 4.02 -1.06 -4.94 117.16 111.53 2o85 n TYR 67 Ca 0.17 -1.11 -0.25 0.00 -0.01 0.00 0.00 57.90 56.70 2o85 n TYR 67 Cb 0.26 -0.66 0.03 0.00 -0.02 0.00 0.00 39.34 38.94 2o85 n TYR 67 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2o85 n GLU 68 N 0.03 -4.99 -2.56 -0.72 -0.58 -0.87 -4.91 120.64 106.05 2o85 n GLU 68 Ca 0.39 0.69 -0.42 0.00 -0.42 0.00 0.00 57.16 57.40 2o85 n GLU 68 Cb 1.37 -5.54 -0.03 0.00 -0.57 0.00 0.00 31.44 26.67 2o85 n GLU 68 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2o85 s VAL 69 N -3.16 3.85 -0.22 2.62 1.01 -0.51 -4.82 120.40 119.18 2o85 s VAL 69 Ca 0.47 0.63 0.02 0.00 0.00 0.00 0.00 61.98 63.10 2o85 s VAL 69 Cb -0.23 -4.82 -0.20 0.00 0.00 0.00 0.00 36.38 31.13 2o85 s VAL 69 CO 0.58 -1.61 -0.04 0.23 0.00 0.00 0.00 175.10 174.26 2o85 n MET 70 N 8.95 0.68 -4.39 2.72 2.81 -1.26 -4.78 117.12 121.84 2o85 n MET 70 Ca 0.06 0.17 -0.26 0.00 -1.81 0.00 0.00 57.70 55.86 2o85 n MET 70 Cb 0.49 -1.57 -0.13 0.00 -0.71 0.00 0.00 33.22 31.30 2o85 n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2o85 s SER 71 N -6.53 2.76 0.14 7.83 0.15 -1.26 -5.15 113.70 111.64 2o85 s SER 71 Ca -0.29 -0.68 0.06 0.00 0.70 0.00 0.00 55.95 55.75 2o85 s SER 71 Cb 0.08 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 2o85 s SER 71 CO 0.67 0.11 -0.13 0.27 1.20 0.00 0.00 173.24 175.36 2o85 s ILE 72 N -1.07 1.38 0.60 6.45 -4.36 -1.26 -4.15 121.20 118.80 2o85 s ILE 72 Ca 0.09 -1.89 -0.17 0.00 -0.26 0.00 0.00 60.65 58.41 2o85 s ILE 72 Cb -0.10 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 2o85 s ILE 72 CO 0.04 -0.52 1.14 -2.16 0.24 0.00 0.00 174.94 173.68 2o85 s PRO 73 N -3.09 3.02 -0.02 0.37 0.04 -1.26 -4.90 135.00 129.15 2o85 s PRO 73 Ca 0.13 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2o85 s PRO 73 Cb -0.02 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.58 2o85 s PRO 73 CO 0.03 -1.11 0.02 0.99 0.04 0.00 0.00 177.00 176.97 2o85 s THR 74 N -1.96 0.02 -0.12 1.26 2.01 -1.22 -2.76 115.64 112.87 2o85 s THR 74 Ca 0.71 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.88 2o85 s THR 74 Cb -0.24 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 2o85 s THR 74 CO 0.34 0.09 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.43 2o85 s LEU 75 N 0.91 2.42 -0.10 4.42 1.43 0.27 -1.72 118.68 126.31 2o85 s LEU 75 Ca -0.08 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2o85 s LEU 75 Cb -0.11 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2o85 s LEU 75 CO -0.02 0.15 -0.20 -0.63 0.23 0.00 0.00 176.35 175.88 2o85 s ILE 76 N 0.41 1.79 -0.13 -0.59 1.01 -0.87 -0.51 121.20 122.31 2o85 s ILE 76 Ca -0.13 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 2o85 s ILE 76 Cb -0.17 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2o85 s ILE 76 CO 0.06 0.50 0.57 -0.69 0.00 0.00 0.00 174.94 175.38 2o85 s VAL 77 N 0.61 5.11 0.08 2.92 1.01 -0.24 -1.56 120.40 128.34 2o85 s VAL 77 Ca -0.14 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.04 2o85 s VAL 77 Cb -0.17 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2o85 s VAL 77 CO 0.04 0.25 -0.09 -0.36 0.00 0.00 0.00 175.10 174.93 2o85 s PHE 78 N 1.04 2.77 -0.11 5.22 0.40 0.46 -0.68 117.98 127.08 2o85 s PHE 78 Ca 0.29 -0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 2o85 s PHE 78 Cb -0.16 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 41.94 2o85 s PHE 78 CO 0.12 0.40 0.09 0.21 0.70 0.00 0.00 175.22 176.75 2o85 s LYS 79 N -1.99 0.01 -1.32 0.44 2.20 -0.09 -1.70 119.74 117.29 2o85 s LYS 79 Ca 0.20 0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2o85 s LYS 79 Cb -0.11 -1.13 0.00 0.00 -1.51 0.00 0.00 37.83 35.08 2o85 s LYS 79 CO 0.12 -0.50 0.69 -0.25 -0.36 0.00 0.00 175.35 175.04 2o85 n ASP 80 N 5.29 -1.18 0.00 1.43 8.00 0.20 -2.08 116.55 128.20 2o85 n ASP 80 Ca -0.05 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2o85 n ASP 80 Cb 0.49 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 2o85 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o85 n GLY 81 N -1.60 0.72 3.28 0.44 0.00 -1.16 -4.79 105.19 102.07 2o85 n GLY 81 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 2o85 n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o85 s GLN 82 N -0.26 2.62 0.01 1.61 -1.52 -0.88 -4.95 119.66 116.28 2o85 s GLN 82 Ca 0.00 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.22 2o85 s GLN 82 Cb 0.00 -2.20 -0.06 0.00 -0.22 0.00 0.00 33.01 30.53 2o85 s GLN 82 CO 0.00 0.37 1.42 -1.25 -0.25 0.00 0.00 175.29 175.58 2o85 s PRO 83 N -0.13 4.28 -0.00 2.91 0.04 -1.26 -0.92 135.00 139.92 2o85 s PRO 83 Ca -0.04 2.00 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2o85 s PRO 83 Cb -0.14 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 2o85 s PRO 83 CO 0.04 -0.58 0.11 1.33 0.04 0.00 0.00 177.00 177.94 2o85 n VAL 84 N 4.63 0.00 -3.49 -0.36 0.24 0.14 -4.94 118.33 114.56 2o85 n VAL 84 Ca 0.13 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 2o85 n VAL 84 Cb 0.43 0.99 -0.02 0.00 -1.47 0.00 0.00 33.84 33.78 2o85 n VAL 84 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2o85 s ASP 85 N -1.26 -0.51 -0.13 -1.34 -1.08 -1.18 -4.99 116.67 106.17 2o85 s ASP 85 Ca 0.01 -0.08 -0.12 0.00 -0.52 0.00 0.00 52.55 51.83 2o85 s ASP 85 Cb 0.02 0.60 0.03 0.00 -1.46 0.00 0.00 42.92 42.12 2o85 s ASP 85 CO 0.11 -1.00 0.36 -0.75 0.52 0.00 0.00 175.17 174.41 2o85 s LYS 86 N -3.73 0.41 -0.04 4.34 2.20 -1.26 -1.08 119.74 120.59 2o85 s LYS 86 Ca 0.03 0.50 0.03 0.00 -0.36 0.00 0.00 55.97 56.16 2o85 s LYS 86 Cb -0.02 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 2o85 s LYS 86 CO -0.10 -0.05 -0.12 0.08 -0.36 0.00 0.00 175.35 174.80 2o85 s VAL 87 N 0.20 1.04 0.16 4.02 1.01 0.34 -4.99 120.40 122.18 2o85 s VAL 87 Ca -0.00 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.58 2o85 s VAL 87 Cb -0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2o85 s VAL 87 CO 0.00 0.32 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 2o85 s VAL 88 N 0.21 2.95 0.05 2.92 1.01 -1.26 -0.57 120.40 125.71 2o85 s VAL 88 Ca -0.05 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2o85 s VAL 88 Cb -0.11 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2o85 s VAL 88 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2o85 n GLY 89 N 0.35 -1.79 3.78 4.51 0.00 -1.11 -4.85 105.19 106.07 2o85 n GLY 89 Ca -0.13 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 2o85 n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o85 s PHE 90 N -0.50 3.12 -0.15 1.61 5.36 -1.26 -4.85 117.98 121.31 2o85 s PHE 90 Ca 0.00 1.60 -0.10 0.00 -0.96 0.00 0.00 56.93 57.47 2o85 s PHE 90 Cb 0.00 -3.24 0.05 0.00 -0.34 0.00 0.00 43.02 39.49 2o85 s PHE 90 CO 0.00 -0.99 0.38 -0.65 -1.46 0.00 0.00 175.22 172.50 2o85 s GLN 91 N -2.53 0.38 0.74 10.12 -1.52 -1.26 -5.16 119.66 120.44 2o85 s GLN 91 Ca 0.59 0.66 -0.11 0.00 -1.95 0.00 0.00 55.36 54.56 2o85 s GLN 91 Cb -0.25 0.04 0.04 0.00 -0.22 0.00 0.00 33.01 32.62 2o85 s GLN 91 CO 0.31 -0.12 1.09 -1.25 -0.25 0.00 0.00 175.29 175.07 2o85 s PRO 92 N 0.98 2.44 0.26 2.91 0.04 -1.26 -4.86 135.00 135.52 2o85 s PRO 92 Ca -0.06 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.12 2o85 s PRO 92 Cb -0.07 -1.92 0.56 0.00 0.04 0.00 0.00 34.50 33.11 2o85 s PRO 92 CO -0.08 -1.51 1.66 -0.22 0.04 0.00 0.00 177.00 176.90 2o85 h LYS 93 N -0.90 0.22 -0.26 4.56 3.11 -2.00 -2.15 116.57 119.15 2o85 h LYS 93 Ca -0.44 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.44 2o85 h LYS 93 Cb 1.23 -0.05 -0.08 0.00 -1.00 0.00 0.00 32.23 32.33 2o85 h LYS 93 CO 0.52 0.15 -0.46 0.93 -2.81 0.00 0.00 179.45 177.78 2o85 h GLU 94 N 0.23 -0.42 -0.50 1.90 3.07 -1.99 -0.67 114.58 116.20 2o85 h GLU 94 Ca 0.47 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.41 2o85 h GLU 94 Cb 0.87 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.85 2o85 h GLU 94 CO -0.59 -0.28 0.33 -0.91 -1.40 0.00 0.00 179.01 176.16 2o85 h ASN 95 N -0.43 0.40 -0.08 1.42 2.35 -1.75 -1.07 115.58 116.41 2o85 h ASN 95 Ca 0.09 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 2o85 h ASN 95 Cb 0.62 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.91 2o85 h ASN 95 CO -0.49 0.26 -0.67 -0.07 -1.65 0.00 0.00 177.43 174.82 2o85 h LEU 96 N 0.46 0.72 -1.21 1.61 3.38 -1.18 -2.62 115.31 116.46 2o85 h LEU 96 Ca 0.21 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2o85 h LEU 96 Cb 0.26 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2o85 h LEU 96 CO -0.06 1.29 0.47 0.00 0.09 0.00 0.00 178.44 180.23 2o85 h ALA 97 N 0.44 1.42 -0.29 1.53 0.00 -0.76 -1.92 119.26 119.69 2o85 h ALA 97 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2o85 h ALA 97 Cb 1.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2o85 h ALA 97 CO 0.13 0.52 0.19 1.49 0.00 0.00 0.00 179.25 181.58 2o85 h GLU 98 N 1.02 0.38 -0.25 0.00 4.22 -1.14 -1.76 114.58 117.05 2o85 h GLU 98 Ca 0.27 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.65 2o85 h GLU 98 Cb -0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2o85 h GLU 98 CO -0.05 0.27 -0.00 0.28 -2.18 0.00 0.00 179.01 177.32 2o85 h VAL 99 N 0.38 1.16 -0.10 0.32 2.07 -0.99 -2.79 116.25 116.31 2o85 h VAL 99 Ca 0.10 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 2o85 h VAL 99 Cb -0.03 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2o85 h VAL 99 CO -0.02 0.21 -0.28 -0.07 0.02 0.00 0.00 177.57 177.43 2o85 h LEU 100 N 0.37 0.41 -2.51 2.57 3.38 -0.98 -3.10 115.31 115.45 2o85 h LEU 100 Ca 0.08 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2o85 h LEU 100 Cb 0.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2o85 h LEU 100 CO 0.01 0.94 0.00 0.44 0.09 0.00 0.00 178.44 179.91 2o85 h ASP 101 N -0.10 0.00 0.98 -0.43 3.32 -1.23 0.24 116.42 119.20 2o85 h ASP 101 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2o85 h ASP 101 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2o85 h ASP 101 CO 0.06 0.00 0.00 1.17 -1.72 0.00 0.00 179.24 178.75 2o85 n LYS 102 N -3.07 0.23 0.00 3.56 3.00 -1.06 -3.31 118.16 117.50 2o85 n LYS 102 Ca -0.02 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 2o85 n LYS 102 Cb 0.14 -1.87 0.00 0.00 0.00 0.00 0.00 35.03 33.30 2o85 n LYS 102 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2o85 n HIS 103 N -2.28 0.00 1.35 5.64 8.25 0.02 -5.12 115.22 123.08 2o85 n HIS 103 Ca 0.03 -0.05 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 2o85 n HIS 103 Cb 0.30 -0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.80 2o85 n HIS 103 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26