#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp6 n VAL 6 N 0.00 0.00 -4.45 2.41 0.24 -1.26 -3.54 118.33 111.73 1pp6 n VAL 6 Ca 0.00 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.34 62.02 1pp6 n VAL 6 Cb 0.00 -0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.05 1pp6 n VAL 6 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1pp6 s PHE 7 N -2.42 1.76 -0.24 6.34 0.08 -1.26 -4.36 117.98 117.88 1pp6 s PHE 7 Ca 0.32 -1.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.07 1pp6 s PHE 7 Cb 0.20 -1.08 0.03 0.00 -0.57 0.00 0.00 43.02 41.60 1pp6 s PHE 7 CO 0.45 -0.34 -0.08 -1.14 -0.10 0.00 0.00 175.22 174.01 1pp6 s GLN 8 N -3.74 2.81 -0.87 0.44 0.74 -1.11 -4.80 119.66 113.13 1pp6 s GLN 8 Ca 0.29 -0.99 -0.25 0.00 0.05 0.00 0.00 55.36 54.46 1pp6 s GLN 8 Cb 0.04 -2.94 -0.08 0.00 1.10 0.00 0.00 33.01 31.12 1pp6 s GLN 8 CO 0.16 -0.39 2.11 -2.14 -0.55 0.00 0.00 175.29 174.48 1pp6 s PRO 9 N 1.31 2.20 -0.30 1.67 0.02 -1.26 -0.95 135.00 137.68 1pp6 s PRO 9 Ca -0.00 -0.04 -0.03 0.00 0.02 0.00 0.00 61.00 60.95 1pp6 s PRO 9 Cb -0.17 -4.97 0.04 0.00 0.02 0.00 0.00 34.50 29.43 1pp6 s PRO 9 CO -0.05 -3.80 0.02 0.08 -0.33 0.00 0.00 177.00 172.92 1pp6 s VAL 10 N 11.85 3.17 -0.07 3.83 1.01 -1.13 -5.02 120.40 134.04 1pp6 s VAL 10 Ca 0.78 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1pp6 s VAL 10 Cb -0.09 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.55 1pp6 s VAL 10 CO 0.03 -0.08 0.11 1.51 0.00 0.00 0.00 175.10 176.66 1pp6 s ASP 11 N 1.30 1.04 -0.04 3.32 3.84 -1.26 -1.76 116.67 123.11 1pp6 s ASP 11 Ca -0.04 0.15 0.13 0.00 -0.00 0.00 0.00 52.55 52.79 1pp6 s ASP 11 Cb -0.19 0.04 0.42 0.00 -1.38 0.00 0.00 42.92 41.81 1pp6 s ASP 11 CO -0.00 -0.25 1.32 1.67 -0.00 0.00 0.00 175.17 177.90 1pp6 n GLN 12 N 5.31 2.38 -2.99 2.11 0.00 -1.06 -4.90 117.38 118.22 1pp6 n GLN 12 Ca -0.04 -1.70 -0.35 0.00 -0.00 0.00 0.00 57.00 54.91 1pp6 n GLN 12 Cb 0.50 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.17 1pp6 n GLN 12 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1pp6 s LEU 13 N -1.17 4.20 0.37 1.69 0.05 -1.23 -4.55 118.68 118.04 1pp6 s LEU 13 Ca 0.31 1.52 -0.28 0.00 0.05 0.00 0.00 54.13 55.73 1pp6 s LEU 13 Cb 0.18 -3.97 -0.11 0.00 -2.05 0.00 0.00 46.19 40.25 1pp6 s LEU 13 CO 0.18 -0.12 1.46 -2.16 -0.55 0.00 0.00 176.35 175.16 1pp6 s PRO 14 N -2.45 4.15 0.11 1.48 0.04 -1.26 -4.67 135.00 132.41 1pp6 s PRO 14 Ca 0.51 2.52 -0.10 0.00 0.04 0.00 0.00 61.00 63.97 1pp6 s PRO 14 Cb -0.14 -2.98 0.10 0.00 0.04 0.00 0.00 34.50 31.51 1pp6 s PRO 14 CO 0.19 -0.48 0.80 -0.85 0.04 0.00 0.00 177.00 176.70 1pp6 n GLU 15 N 0.53 -0.14 0.02 4.56 0.28 -1.26 0.73 120.64 125.36 1pp6 n GLU 15 Ca 0.01 0.79 0.22 0.00 -0.16 0.00 0.00 57.16 58.02 1pp6 n GLU 15 Cb 0.40 -1.17 0.68 0.00 1.43 0.00 0.00 31.44 32.77 1pp6 n GLU 15 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1pp6 h ASP 16 N 0.00 0.00 0.33 -1.84 2.03 -2.02 0.87 116.42 115.79 1pp6 h ASP 16 Ca 0.16 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 56.14 1pp6 h ASP 16 Cb 0.29 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.77 1pp6 h ASP 16 CO -0.51 0.00 -1.75 -0.07 -1.03 0.00 0.00 179.24 175.88 1pp6 h LEU 17 N 0.00 0.32 -1.06 0.15 3.38 -0.04 -3.37 115.31 114.70 1pp6 h LEU 17 Ca 0.26 -0.59 0.34 0.00 0.09 0.00 0.00 57.88 57.98 1pp6 h LEU 17 Cb 1.52 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 42.02 1pp6 h LEU 17 CO -0.00 1.51 0.60 0.40 0.09 0.00 0.00 178.44 181.04 1pp6 h ILE 18 N 0.06 0.28 0.00 1.22 2.04 -0.74 0.94 117.51 121.30 1pp6 h ILE 18 Ca -0.32 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1pp6 h ILE 18 Cb 2.03 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1pp6 h ILE 18 CO 0.12 0.05 -0.22 -0.65 0.00 0.00 0.00 178.15 177.45 1pp6 h PRO 19 N 0.29 0.00 0.06 2.37 0.11 -1.73 0.24 132.00 133.35 1pp6 h PRO 19 Ca 0.74 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.61 1pp6 h PRO 19 Cb 1.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.89 1pp6 h PRO 19 CO -0.59 0.22 -1.10 0.77 -0.21 0.00 0.00 178.00 177.09 1pp6 h SER 20 N 0.00 0.26 0.12 -2.05 0.02 0.58 -2.89 113.55 109.59 1pp6 h SER 20 Ca -0.00 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1pp6 h SER 20 Cb 0.42 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1pp6 h SER 20 CO 0.03 1.18 -0.33 0.28 -1.14 0.00 0.00 176.83 176.85 1pp6 h SER 21 N 0.06 -0.97 -0.85 3.07 0.02 0.24 0.10 113.55 115.22 1pp6 h SER 21 Ca -0.08 0.11 0.22 0.00 -0.84 0.00 0.00 61.79 61.20 1pp6 h SER 21 Cb 1.82 0.37 -0.14 0.00 0.14 0.00 0.00 62.40 64.59 1pp6 h SER 21 CO 0.17 -0.42 0.12 0.40 -1.14 0.00 0.00 176.83 175.95 1pp6 h ILE 22 N -0.56 0.28 -0.62 3.27 2.04 -0.52 0.87 117.51 122.27 1pp6 h ILE 22 Ca 0.03 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1pp6 h ILE 22 Cb 0.59 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1pp6 h ILE 22 CO -0.20 0.03 0.19 1.56 0.00 0.00 0.00 178.15 179.73 1pp6 h GLN 23 N 0.14 0.93 -0.39 2.37 1.08 -0.83 0.30 115.11 118.71 1pp6 h GLN 23 Ca 0.51 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 57.39 1pp6 h GLN 23 Cb 0.98 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1pp6 h GLN 23 CO -0.70 0.80 -0.30 0.28 -0.95 0.00 0.00 178.83 177.97 1pp6 h VAL 24 N 0.90 1.27 0.10 -0.54 2.07 0.10 -0.63 116.25 119.53 1pp6 h VAL 24 Ca 0.20 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1pp6 h VAL 24 Cb 0.26 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1pp6 h VAL 24 CO -0.01 0.49 -0.07 0.25 0.02 0.00 0.00 177.57 178.24 1pp6 h LEU 25 N 0.73 -0.18 -1.03 2.57 5.85 0.15 -2.83 115.31 120.56 1pp6 h LEU 25 Ca 0.08 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1pp6 h LEU 25 Cb 0.85 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1pp6 h LEU 25 CO 0.07 -0.12 0.25 0.11 -0.34 0.00 0.00 178.44 178.41 1pp6 h LYS 26 N -0.18 0.94 0.51 1.25 1.57 -0.24 -2.11 116.57 118.31 1pp6 h LYS 26 Ca -0.01 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1pp6 h LYS 26 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1pp6 h LYS 26 CO 0.00 0.78 -0.51 0.35 -0.57 0.00 0.00 179.45 179.50 1pp6 h PHE 27 N 0.92 -1.41 -0.25 -1.35 3.57 -0.91 -3.08 116.94 114.43 1pp6 h PHE 27 Ca 0.22 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1pp6 h PHE 27 Cb 0.19 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 1pp6 h PHE 27 CO 0.01 -0.68 -0.10 0.77 -2.23 0.00 0.00 178.31 176.09 1pp6 h SER 28 N -1.02 -0.34 0.00 0.41 0.02 -1.42 -2.35 113.55 108.85 1pp6 h SER 28 Ca -0.06 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1pp6 h SER 28 Cb 0.88 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1pp6 h SER 28 CO -0.06 -0.13 0.55 1.23 -1.14 0.00 0.00 176.83 177.28 1pp6 h GLY 29 N -0.06 0.00 2.00 -3.77 0.00 -1.29 -0.94 103.07 99.02 1pp6 h GLY 29 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1pp6 h GLY 29 CO -0.29 0.00 0.00 0.50 0.00 0.00 0.00 176.54 176.75 1pp6 h LYS 30 N 0.00 0.00 -3.73 4.80 1.57 -1.42 -3.41 116.57 114.38 1pp6 h LYS 30 Ca 0.00 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.00 1pp6 h LYS 30 Cb 1.09 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.13 1pp6 h LYS 30 CO 0.00 0.00 0.15 0.71 -0.57 0.00 0.00 179.45 179.74 1pp6 s TYR 31 N -3.28 3.87 -0.05 -1.35 2.02 -0.36 -5.01 117.35 113.19 1pp6 s TYR 31 Ca 0.07 -2.26 0.02 0.00 -0.37 0.00 0.00 57.07 54.53 1pp6 s TYR 31 Cb 0.10 -3.76 0.01 0.00 -0.40 0.00 0.00 41.96 37.91 1pp6 s TYR 31 CO 0.54 -0.96 -0.09 -0.51 -1.57 0.00 0.00 175.55 172.96 1pp6 s LEU 32 N -0.27 1.56 -0.19 -1.29 1.43 -1.26 -1.29 118.68 117.37 1pp6 s LEU 32 Ca 0.21 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1pp6 s LEU 32 Cb -0.11 -0.64 0.17 0.00 0.03 0.00 0.00 46.19 45.64 1pp6 s LEU 32 CO -0.08 0.01 1.77 2.29 0.23 0.00 0.00 176.35 180.56 1pp6 n LYS 33 N 3.79 1.50 -0.84 1.70 2.85 0.74 -4.89 118.16 123.01 1pp6 n LYS 33 Ca -0.23 -1.03 -0.29 0.00 -1.05 0.00 0.00 58.31 55.71 1pp6 n LYS 33 Cb 0.52 -1.40 -0.02 0.00 -0.65 0.00 0.00 35.03 33.47 1pp6 n LYS 33 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1pp6 n LEU 34 N 0.47 -0.66 0.00 -5.58 7.94 -1.26 -4.58 117.00 113.32 1pp6 n LEU 34 Ca 0.20 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 1pp6 n LEU 34 Cb 0.66 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1pp6 n LEU 34 CO 0.24 -1.71 0.00 1.21 -1.11 0.00 0.00 177.39 176.02 1pp6 n GLU 35 N 0.63 0.00 -2.55 1.96 4.07 -0.03 -5.00 120.64 119.72 1pp6 n GLU 35 Ca 0.11 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.14 1pp6 n GLU 35 Cb 0.14 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.55 1pp6 n GLU 35 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1pp6 n GLN 36 N -0.02 -2.56 -1.78 5.31 1.13 -1.26 -3.15 117.38 115.05 1pp6 n GLN 36 Ca 0.00 0.33 -0.13 0.00 -1.94 0.00 0.00 57.00 55.26 1pp6 n GLN 36 Cb 0.00 -3.80 -0.04 0.00 0.11 0.00 0.00 30.24 26.52 1pp6 n GLN 36 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1pp6 n ASP 37 N -1.81 -3.56 -4.01 1.08 4.64 -1.26 -4.89 116.55 106.74 1pp6 n ASP 37 Ca -0.11 0.26 -0.10 0.00 -1.38 0.00 0.00 54.79 53.46 1pp6 n ASP 37 Cb 0.57 -3.21 -0.11 0.00 -1.04 0.00 0.00 41.12 37.32 1pp6 n ASP 37 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1pp6 s LYS 38 N -3.82 0.39 -0.07 -0.67 1.02 -1.19 -5.07 119.74 110.34 1pp6 s LYS 38 Ca 0.00 -0.69 0.01 0.00 0.02 0.00 0.00 55.97 55.31 1pp6 s LYS 38 Cb 0.00 -0.00 0.02 0.00 -0.52 0.00 0.00 37.83 37.33 1pp6 s LYS 38 CO 0.00 -0.02 -0.07 0.00 -0.92 0.00 0.00 175.35 174.34 1pp6 s ALA 39 N -1.59 1.01 -0.00 5.17 0.00 -1.26 -0.85 121.76 124.24 1pp6 s ALA 39 Ca -0.13 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.60 1pp6 s ALA 39 Cb -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1pp6 s ALA 39 CO -0.01 -0.13 -0.16 0.71 0.00 0.00 0.00 175.76 176.17 1pp6 s TYR 40 N 1.16 1.47 0.75 0.00 2.02 -1.26 -4.76 117.35 116.72 1pp6 s TYR 40 Ca -0.06 -0.29 -0.16 0.00 -0.37 0.00 0.00 57.07 56.19 1pp6 s TYR 40 Cb -0.14 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 1pp6 s TYR 40 CO -0.01 -0.01 0.53 0.34 -1.57 0.00 0.00 175.55 174.83 1pp6 n PHE 41 N 2.50 -0.83 -3.93 2.71 -0.00 -1.26 -0.18 117.46 116.47 1pp6 n PHE 41 Ca -0.15 0.34 -0.31 0.00 -0.00 0.00 0.00 57.45 57.33 1pp6 n PHE 41 Cb 0.54 -1.90 -0.13 0.00 -0.00 0.00 0.00 39.48 37.98 1pp6 n PHE 41 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1pp6 s ASP 42 N -1.55 4.42 0.48 -2.13 -1.08 -0.41 -4.46 116.67 111.94 1pp6 s ASP 42 Ca 0.65 -3.05 0.14 0.00 -0.52 0.00 0.00 52.55 49.77 1pp6 s ASP 42 Cb -0.33 -1.66 1.15 0.00 -1.46 0.00 0.00 42.92 40.62 1pp6 s ASP 42 CO 0.59 -0.24 2.09 -0.50 0.52 0.00 0.00 175.17 177.64 1pp6 h TRP 43 N 6.48 0.18 0.04 -5.34 4.06 -1.92 0.45 115.95 119.90 1pp6 h TRP 43 Ca -0.06 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.69 1pp6 h TRP 43 Cb 0.89 -0.06 0.02 0.00 -1.00 0.00 0.00 29.16 29.01 1pp6 h TRP 43 CO 0.55 0.11 -0.83 -1.35 -3.56 0.00 0.00 178.44 173.36 1pp6 h PRO 44 N 0.19 0.49 -0.42 0.49 0.11 -1.98 -2.00 132.00 128.88 1pp6 h PRO 44 Ca 0.10 -0.58 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1pp6 h PRO 44 Cb 0.15 0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1pp6 h PRO 44 CO -0.02 1.21 -0.06 0.78 -0.21 0.00 0.00 178.00 179.70 1pp6 h GLY 45 N 0.03 0.84 1.96 -0.55 0.00 -1.90 -0.10 103.07 103.35 1pp6 h GLY 45 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1pp6 h GLY 45 CO 0.16 0.61 0.00 0.33 0.00 0.00 0.00 176.54 177.64 1pp6 n PHE 46 N -4.35 0.00 -0.05 5.60 7.35 0.16 -1.51 117.46 124.65 1pp6 n PHE 46 Ca -0.01 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.65 1pp6 n PHE 46 Cb 0.34 -0.48 -0.01 0.00 0.35 0.00 0.00 39.48 39.68 1pp6 n PHE 46 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pp6 n LYS 47 N -1.48 0.32 -0.33 -4.13 5.02 -0.75 -3.57 118.16 113.23 1pp6 n LYS 47 Ca 0.06 0.45 0.19 0.00 -2.02 0.00 0.00 58.31 56.99 1pp6 n LYS 47 Cb 0.26 -1.41 0.40 0.00 -0.02 0.00 0.00 35.03 34.26 1pp6 n LYS 47 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1pp6 h THR 48 N -0.70 0.42 -0.30 -0.18 1.35 -1.08 0.46 112.91 112.87 1pp6 h THR 48 Ca 0.00 -0.15 0.06 0.00 -0.55 0.00 0.00 66.41 65.77 1pp6 h THR 48 Cb 0.35 -0.05 -0.05 0.00 -1.73 0.00 0.00 68.15 66.67 1pp6 h THR 48 CO 0.00 0.08 -0.04 0.00 -0.25 0.00 0.00 175.52 175.31 1pp6 h ALA 49 N 1.78 0.23 0.77 6.62 0.00 -1.44 -2.36 119.26 124.86 1pp6 h ALA 49 Ca 0.66 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.64 1pp6 h ALA 49 Cb 1.37 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1pp6 h ALA 49 CO -0.55 -0.44 -0.37 0.82 0.00 0.00 0.00 179.25 178.71 1pp6 h ILE 50 N 0.04 0.17 0.00 0.00 2.04 -0.32 -2.91 117.51 116.52 1pp6 h ILE 50 Ca 0.14 -0.12 -0.55 0.00 1.00 0.00 0.00 64.86 65.33 1pp6 h ILE 50 Cb 0.21 0.20 0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1pp6 h ILE 50 CO -0.28 0.01 2.17 0.47 0.00 0.00 0.00 178.15 180.52 1pp6 n ASP 51 N -5.50 2.66 0.04 1.72 9.92 0.66 -1.40 116.55 124.66 1pp6 n ASP 51 Ca -0.14 -2.54 0.00 0.00 -0.53 0.00 0.00 54.79 51.58 1pp6 n ASP 51 Cb 0.42 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 39.91 1pp6 n ASP 51 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1pp6 n ASN 52 N 6.84 -0.80 -0.94 -2.24 5.03 -1.21 -4.78 115.26 117.16 1pp6 n ASN 52 Ca 0.45 0.52 -0.13 0.00 0.87 0.00 0.00 54.58 56.29 1pp6 n ASN 52 Cb 0.32 1.10 -0.02 0.00 -1.02 0.00 0.00 39.78 40.17 1pp6 n ASN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pp6 n TYR 53 N -2.93 0.27 -3.48 3.10 9.36 -0.49 -4.90 117.16 118.08 1pp6 n TYR 53 Ca 0.00 0.22 -0.43 0.00 3.32 0.00 0.00 57.90 61.02 1pp6 n TYR 53 Cb 0.00 -0.44 -0.10 0.00 -0.63 0.00 0.00 39.34 38.17 1pp6 n TYR 53 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1pp6 s THR 54 N 0.37 5.09 -0.22 2.97 2.01 -1.26 -5.02 115.64 119.57 1pp6 s THR 54 Ca 0.20 -0.80 -0.36 0.00 0.31 0.00 0.00 61.69 61.04 1pp6 s THR 54 Cb -0.28 -3.88 0.15 0.00 0.01 0.00 0.00 72.50 68.49 1pp6 s THR 54 CO 0.15 -0.35 1.28 -0.83 -0.69 0.00 0.00 174.62 174.17 1pp6 s GLY 55 N 1.83 -0.27 -0.07 4.40 0.00 -1.26 -5.02 107.32 106.94 1pp6 s GLY 55 Ca 0.04 1.68 0.13 0.00 0.00 0.00 0.00 44.72 46.57 1pp6 s GLY 55 CO 0.08 0.55 0.20 1.18 0.00 0.00 0.00 173.10 175.12 1pp6 n GLU 56 N -0.08 1.02 0.00 2.90 4.71 -1.26 -4.45 120.64 123.49 1pp6 n GLU 56 Ca 0.02 -0.08 0.12 0.00 -0.01 0.00 0.00 57.16 57.21 1pp6 n GLU 56 Cb 0.58 -1.34 0.55 0.00 -1.01 0.00 0.00 31.44 30.22 1pp6 n GLU 56 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1pp6 n ASP 57 N -2.20 0.00 -3.75 1.62 5.68 -1.26 -4.73 116.55 111.91 1pp6 n ASP 57 Ca -0.10 0.34 -0.13 0.00 -0.50 0.00 0.00 54.79 54.39 1pp6 n ASP 57 Cb 0.60 -0.44 -0.14 0.00 -1.14 0.00 0.00 41.12 40.00 1pp6 n ASP 57 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1pp6 s LEU 58 N -2.88 0.68 -0.17 -2.12 1.98 -1.26 -0.21 118.68 114.71 1pp6 s LEU 58 Ca 0.15 0.34 -0.06 0.00 -2.89 0.00 0.00 54.13 51.68 1pp6 s LEU 58 Cb 0.16 0.44 0.08 0.00 0.66 0.00 0.00 46.19 47.53 1pp6 s LEU 58 CO 0.42 -0.15 0.34 -0.55 -1.89 0.00 0.00 176.35 174.52 1pp6 s SER 59 N 1.15 0.09 0.52 3.68 0.15 -0.52 -4.72 113.70 114.07 1pp6 s SER 59 Ca -0.09 0.74 -0.23 0.00 0.70 0.00 0.00 55.95 57.08 1pp6 s SER 59 Cb -0.11 1.01 -0.06 0.00 -1.71 0.00 0.00 66.02 65.15 1pp6 s SER 59 CO -0.06 -0.24 1.39 0.33 1.20 0.00 0.00 173.24 175.86 1pp6 n PHE 60 N 5.37 2.45 -1.48 3.44 7.35 -1.26 -1.55 117.46 131.78 1pp6 n PHE 60 Ca -0.07 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1pp6 n PHE 60 Cb 0.50 -2.39 0.00 0.00 0.35 0.00 0.00 39.48 37.93 1pp6 n PHE 60 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1pp6 n ASP 61 N -0.82 0.00 0.00 -2.13 3.85 -1.15 -4.89 116.55 111.41 1pp6 n ASP 61 Ca 0.09 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.17 1pp6 n ASP 61 Cb 0.44 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 1pp6 n ASP 61 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1pp6 n LYS 62 N 0.00 0.00 -4.16 0.11 4.81 -1.22 -4.99 118.16 112.71 1pp6 n LYS 62 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1pp6 n LYS 62 Cb 0.30 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.26 1pp6 n LYS 62 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1pp6 s TYR 63 N -2.00 1.04 0.00 5.64 5.04 -1.26 -1.76 117.35 124.05 1pp6 s TYR 63 Ca 0.00 -1.27 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1pp6 s TYR 63 Cb 0.00 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 41.90 1pp6 s TYR 63 CO 0.00 -0.73 0.00 -3.47 -1.34 0.00 0.00 175.55 170.01 1pp6 n ASP 64 N -0.40 0.00 -3.76 4.32 -0.08 -1.22 -4.98 116.55 110.44 1pp6 n ASP 64 Ca 0.02 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.10 1pp6 n ASP 64 Cb 0.65 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.02 1pp6 n ASP 64 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1pp6 s GLN 65 N -2.00 1.67 -0.26 -0.67 -0.21 -1.26 -2.86 119.66 114.06 1pp6 s GLN 65 Ca 0.00 -1.96 -0.26 0.00 0.02 0.00 0.00 55.36 53.16 1pp6 s GLN 65 Cb 0.00 0.06 0.13 0.00 1.00 0.00 0.00 33.01 34.20 1pp6 s GLN 65 CO 0.00 -0.54 1.07 0.45 -2.12 0.00 0.00 175.29 174.15 1pp6 s SER 66 N -3.38 -0.39 -0.25 5.90 0.15 -0.55 -4.96 113.70 110.22 1pp6 s SER 66 Ca 0.37 0.69 0.01 0.00 0.70 0.00 0.00 55.95 57.71 1pp6 s SER 66 Cb 0.04 0.68 0.07 0.00 -1.71 0.00 0.00 66.02 65.10 1pp6 s SER 66 CO 0.21 -0.17 -0.01 -0.89 1.20 0.00 0.00 173.24 173.58 1pp6 s THR 67 N -0.07 1.42 -0.82 6.45 2.01 -1.26 -0.04 115.64 123.33 1pp6 s THR 67 Ca 0.03 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 60.55 1pp6 s THR 67 Cb -0.04 -1.81 0.18 0.00 0.01 0.00 0.00 72.50 70.84 1pp6 s THR 67 CO -0.06 -0.26 0.86 -0.63 -0.69 0.00 0.00 174.62 173.84 1pp6 s ILE 68 N 1.42 5.25 0.31 1.82 1.01 0.19 -4.98 121.20 126.22 1pp6 s ILE 68 Ca -0.01 -2.00 -0.29 0.00 0.00 0.00 0.00 60.65 58.34 1pp6 s ILE 68 Cb -0.18 -4.56 -0.10 0.00 0.01 0.00 0.00 42.46 37.62 1pp6 s ILE 68 CO -0.09 -1.17 1.41 0.54 0.00 0.00 0.00 174.94 175.62 1pp6 s ASN 69 N 2.82 6.61 0.43 3.58 4.22 -1.26 0.36 114.94 131.70 1pp6 s ASN 69 Ca 0.21 2.78 -0.14 0.00 -2.14 0.00 0.00 52.86 53.57 1pp6 s ASN 69 Cb -0.11 -2.64 -0.12 0.00 1.28 0.00 0.00 41.25 39.66 1pp6 s ASN 69 CO -0.07 -0.69 -0.14 0.00 -2.04 0.00 0.00 177.10 174.16 1pp6 n GLN 70 N 1.36 0.00 0.00 3.55 10.64 -1.22 -4.74 117.38 126.97 1pp6 n GLN 70 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1pp6 n GLN 70 Cb 0.40 -0.79 0.00 0.00 -0.86 0.00 0.00 30.24 28.99 1pp6 n GLN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pp6 n GLN 71 N 1.25 0.00 -2.77 2.61 10.64 -1.07 -4.91 117.38 123.13 1pp6 n GLN 71 Ca 0.06 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.80 1pp6 n GLN 71 Cb 0.38 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.74 1pp6 n GLN 71 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1pp6 s SER 72 N 0.00 6.74 0.38 2.61 0.15 -1.25 -1.99 113.70 120.34 1pp6 s SER 72 Ca 0.00 -2.20 0.08 0.00 0.70 0.00 0.00 55.95 54.53 1pp6 s SER 72 Cb 0.00 -2.48 -0.07 0.00 -1.71 0.00 0.00 66.02 61.77 1pp6 s SER 72 CO 0.00 -1.12 0.02 0.00 1.20 0.00 0.00 173.24 173.33 1pp6 s GLN 73 N 3.32 2.00 -0.13 5.44 -2.07 -0.86 -4.83 119.66 122.54 1pp6 s GLN 73 Ca 0.43 -1.94 -0.05 0.00 -1.82 0.00 0.00 55.36 51.97 1pp6 s GLN 73 Cb -0.01 -1.78 -0.04 0.00 -1.09 0.00 0.00 33.01 30.09 1pp6 s GLN 73 CO -0.04 0.02 0.06 -1.83 -1.32 0.00 0.00 175.29 172.18 1pp6 s GLU 74 N -3.73 3.44 0.00 9.60 -1.05 -1.26 -1.34 118.70 124.37 1pp6 s GLU 74 Ca 0.36 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.87 1pp6 s GLU 74 Cb 0.05 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 1pp6 s GLU 74 CO 0.19 0.59 0.00 0.28 0.95 0.00 0.00 175.26 177.27 1pp6 n VAL 75 N 2.54 0.00 0.00 1.83 0.31 -0.64 0.29 118.33 122.67 1pp6 n VAL 75 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1pp6 n VAL 75 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 1pp6 n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pp6 n GLY 76 N -0.07 -0.08 0.10 2.92 0.00 0.41 0.51 105.19 108.97 1pp6 n GLY 76 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1pp6 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pp6 h ALA 77 N 0.45 0.16 -0.24 4.61 0.00 0.42 -3.11 119.26 121.56 1pp6 h ALA 77 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 54.91 53.84 1pp6 h ALA 77 Cb 0.53 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1pp6 h ALA 77 CO 0.00 0.48 -0.34 0.00 0.00 0.00 0.00 179.25 179.39 1pp6 h MET 78 N -0.90 0.52 0.79 0.00 -0.00 0.27 -2.83 114.93 112.79 1pp6 h MET 78 Ca -0.22 -0.24 -0.04 0.00 -0.00 0.00 0.00 59.70 59.20 1pp6 h MET 78 Cb 1.27 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 32.87 1pp6 h MET 78 CO -0.10 0.79 -0.38 0.28 -0.00 0.00 0.00 176.91 177.50 1pp6 h VAL 79 N 0.44 0.09 0.00 -0.10 2.07 -1.56 0.45 116.25 117.64 1pp6 h VAL 79 Ca 0.05 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1pp6 h VAL 79 Cb 0.81 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1pp6 h VAL 79 CO 0.07 0.01 0.10 0.44 0.02 0.00 0.00 177.57 178.20 1pp6 h ASP 80 N -1.22 0.00 0.00 0.57 3.32 -1.60 0.85 116.42 118.34 1pp6 h ASP 80 Ca -0.11 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1pp6 h ASP 80 Cb 0.83 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1pp6 h ASP 80 CO 0.18 0.00 -0.24 0.50 -1.72 0.00 0.00 179.24 177.96 1pp6 h LYS 81 N 0.00 0.00 -0.86 3.56 3.64 -1.03 -2.73 116.57 119.15 1pp6 h LYS 81 Ca 0.00 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 1pp6 h LYS 81 Cb 0.20 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.90 1pp6 h LYS 81 CO 0.00 0.68 0.35 0.82 -2.27 0.00 0.00 179.45 179.03 1pp6 h ILE 82 N -1.00 0.49 -0.04 2.00 2.04 0.14 0.45 117.51 121.59 1pp6 h ILE 82 Ca -0.06 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1pp6 h ILE 82 Cb 0.77 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1pp6 h ILE 82 CO -0.03 0.07 -0.11 0.00 0.00 0.00 0.00 178.15 178.07 1pp6 h ALA 83 N 1.69 -0.10 -0.59 1.87 0.00 -0.99 -2.23 119.26 118.91 1pp6 h ALA 83 Ca 0.53 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.57 1pp6 h ALA 83 Cb 0.97 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1pp6 h ALA 83 CO -0.52 -0.59 -0.26 -0.22 0.00 0.00 0.00 179.25 177.66 1pp6 h LYS 84 N -0.18 -0.10 0.06 0.00 3.64 0.20 0.19 116.57 120.39 1pp6 h LYS 84 Ca 0.05 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1pp6 h LYS 84 Cb 0.25 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1pp6 h LYS 84 CO -0.14 -0.07 -0.10 0.35 -2.27 0.00 0.00 179.45 177.22 1pp6 h PHE 85 N -0.11 -0.27 -0.89 1.91 3.57 -0.82 0.11 116.94 120.45 1pp6 h PHE 85 Ca 0.26 0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.00 1pp6 h PHE 85 Cb 0.52 0.11 -0.14 0.00 2.79 0.00 0.00 35.95 39.23 1pp6 h PHE 85 CO -0.58 -0.12 0.31 -0.07 -2.23 0.00 0.00 178.31 175.62 1pp6 h LEU 86 N -0.17 0.14 0.51 0.59 3.38 -1.07 1.57 115.31 120.25 1pp6 h LEU 86 Ca -0.01 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1pp6 h LEU 86 Cb 0.15 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pp6 h LEU 86 CO -0.03 -0.11 -0.40 -0.74 0.09 0.00 0.00 178.44 177.25 1pp6 h HIS 87 N 0.27 -1.09 0.78 1.13 2.76 -0.26 -0.47 115.15 118.28 1pp6 h HIS 87 Ca 0.56 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.70 1pp6 h HIS 87 Cb 1.13 0.41 0.01 0.00 1.55 0.00 0.00 27.41 30.51 1pp6 h HIS 87 CO -0.21 -0.56 -0.38 -0.44 -1.30 0.00 0.00 177.93 175.05 1pp6 h ASP 88 N -0.88 -0.89 -0.94 3.26 3.32 0.67 0.18 116.42 121.14 1pp6 h ASP 88 Ca -0.07 0.02 0.27 0.00 0.02 0.00 0.00 57.03 57.27 1pp6 h ASP 88 Cb 0.73 0.23 -0.17 0.00 0.22 0.00 0.00 39.33 40.35 1pp6 h ASP 88 CO 0.01 -0.54 0.15 0.00 -1.72 0.00 0.00 179.24 177.14 1pp6 h ALA 89 N -1.17 1.29 -2.35 3.45 0.00 0.21 -2.54 119.26 118.15 1pp6 h ALA 89 Ca -0.11 0.29 -0.60 0.00 0.00 0.00 0.00 54.91 54.50 1pp6 h ALA 89 Cb 0.82 0.46 -0.41 0.00 0.00 0.00 0.00 17.79 18.66 1pp6 h ALA 89 CO 0.18 -0.57 -0.71 1.19 0.00 0.00 0.00 179.25 179.34 1pp6 n PHE 90 N -5.37 2.52 1.16 0.00 3.72 -0.18 -4.77 117.46 114.53 1pp6 n PHE 90 Ca 0.24 -4.02 0.00 0.00 -0.05 0.00 0.00 57.45 53.61 1pp6 n PHE 90 Cb 0.77 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1pp6 n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pp6 n ALA 91 N 1.31 2.09 0.59 4.37 0.00 0.61 -1.18 120.51 128.30 1pp6 n ALA 91 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1pp6 n ALA 91 Cb 0.42 -1.00 0.27 0.00 0.00 0.00 0.00 19.45 19.14 1pp6 n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp6 n ALA 92 N -0.42 2.63 -0.02 0.00 0.00 -1.26 -4.81 120.51 116.63 1pp6 n ALA 92 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pp6 n ALA 92 Cb 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1pp6 n ALA 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pp6 n VAL 93 N -2.20 0.00 -1.66 0.00 0.31 -0.33 -5.04 118.33 109.42 1pp6 n VAL 93 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.96 1pp6 n VAL 93 Cb 0.44 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.38 1pp6 n VAL 93 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1pp6 n VAL 94 N -2.47 2.56 -3.63 2.52 0.31 -1.09 -5.03 118.33 111.49 1pp6 n VAL 94 Ca 0.00 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 1pp6 n VAL 94 Cb 0.00 -1.36 -0.07 0.00 -0.91 0.00 0.00 33.84 31.50 1pp6 n VAL 94 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1pp6 s ASP 95 N -0.65 -0.75 0.99 4.52 1.01 -1.26 -4.65 116.67 115.88 1pp6 s ASP 95 Ca 0.63 1.42 0.00 0.00 0.71 0.00 0.00 52.55 55.31 1pp6 s ASP 95 Cb -0.53 1.43 0.00 0.00 1.01 0.00 0.00 42.92 44.83 1pp6 s ASP 95 CO 0.57 -0.24 0.00 0.18 0.21 0.00 0.00 175.17 175.89 1pp6 n LEU 96 N 2.79 0.00 -0.27 1.23 4.32 -1.26 -3.90 117.00 119.91 1pp6 n LEU 96 Ca -0.14 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 55.98 1pp6 n LEU 96 Cb 0.55 0.00 0.48 0.00 -1.62 0.00 0.00 43.42 42.84 1pp6 n LEU 96 CO 0.03 -0.52 0.77 -1.20 -1.22 0.00 0.00 177.39 175.24 1pp6 n SER 97 N -2.96 0.98 0.00 -1.43 7.64 -1.26 -4.14 113.62 112.45 1pp6 n SER 97 Ca 0.00 -0.97 0.02 0.00 1.01 0.00 0.00 58.87 58.93 1pp6 n SER 97 Cb 0.00 0.05 0.12 0.00 -1.01 0.00 0.00 64.21 63.37 1pp6 n SER 97 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1pp6 n LYS 98 N -0.53 0.08 -0.03 1.43 4.76 -1.25 -1.59 118.16 121.03 1pp6 n LYS 98 Ca 0.15 0.20 -0.04 0.00 -2.87 0.00 0.00 58.31 55.75 1pp6 n LYS 98 Cb 0.33 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.97 1pp6 n LYS 98 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1pp6 n LEU 99 N -1.24 0.92 0.26 -0.35 -0.00 -1.26 -4.32 117.00 111.02 1pp6 n LEU 99 Ca 0.02 -0.01 0.17 0.00 -0.00 0.00 0.00 56.01 56.20 1pp6 n LEU 99 Cb 0.03 0.02 0.84 0.00 -0.00 0.00 0.00 43.42 44.31 1pp6 n LEU 99 CO 0.03 0.29 1.15 0.00 -0.00 0.00 0.00 177.39 178.86 1pp6 h ALA 100 N 0.20 1.54 0.19 1.47 0.00 -1.52 0.15 119.26 121.29 1pp6 h ALA 100 Ca -0.16 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.41 1pp6 h ALA 100 Cb 1.32 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1pp6 h ALA 100 CO -0.00 -0.37 -1.67 0.00 0.00 0.00 0.00 179.25 177.20 1pp6 h ALA 101 N 1.49 0.10 -0.21 0.00 0.00 -1.70 -2.50 119.26 116.44 1pp6 h ALA 101 Ca 0.06 -1.09 -0.07 0.00 0.00 0.00 0.00 54.91 53.81 1pp6 h ALA 101 Cb 0.67 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pp6 h ALA 101 CO -0.00 0.94 -0.17 0.82 0.00 0.00 0.00 179.25 180.84 1pp6 h ILE 102 N 0.07 1.22 0.16 0.00 2.04 -1.19 0.27 117.51 120.09 1pp6 h ILE 102 Ca -0.33 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 1pp6 h ILE 102 Cb 2.08 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1pp6 h ILE 102 CO 0.18 0.32 -0.08 0.40 0.00 0.00 0.00 178.15 178.98 1pp6 h ILE 103 N 0.33 0.73 -0.90 -0.67 2.04 -1.44 -3.15 117.51 114.45 1pp6 h ILE 103 Ca 0.06 -1.16 0.19 0.00 1.00 0.00 0.00 64.86 64.95 1pp6 h ILE 103 Cb 0.50 1.26 -0.11 0.00 -0.74 0.00 0.00 36.82 37.74 1pp6 h ILE 103 CO 0.03 0.20 0.45 0.25 0.00 0.00 0.00 178.15 179.09 1pp6 h LEU 104 N -0.92 0.49 -1.44 1.44 6.46 -1.35 0.20 115.31 120.18 1pp6 h LEU 104 Ca -0.02 0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1pp6 h LEU 104 Cb 0.49 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 1pp6 h LEU 104 CO 0.04 0.12 0.43 0.78 -0.62 0.00 0.00 178.44 179.19 1pp6 h ASN 105 N 0.54 0.60 0.05 1.25 -0.26 -1.00 -0.02 115.58 116.74 1pp6 h ASN 105 Ca 0.54 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.27 1pp6 h ASN 105 Cb 0.91 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.04 1pp6 h ASN 105 CO -0.45 0.40 -0.02 0.74 -1.06 0.00 0.00 177.43 177.04 1pp6 h THR 106 N 0.69 1.11 -0.24 2.81 2.02 -0.58 -2.30 112.91 116.42 1pp6 h THR 106 Ca 0.28 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1pp6 h THR 106 Cb 0.22 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1pp6 h THR 106 CO -0.08 0.14 0.16 -0.26 0.37 0.00 0.00 175.52 175.84 1pp6 h PHE 107 N -0.31 0.30 0.00 3.16 0.04 -0.76 0.18 116.94 119.55 1pp6 h PHE 107 Ca -0.01 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1pp6 h PHE 107 Cb 0.28 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1pp6 h PHE 107 CO 0.01 0.19 0.00 0.25 -0.60 0.00 0.00 178.31 178.15 1pp6 n THR 108 N -4.93 0.19 -1.58 -1.55 -2.24 -0.09 -2.57 114.28 101.52 1pp6 n THR 108 Ca -0.02 0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.87 1pp6 n THR 108 Cb 0.03 -0.62 0.15 0.00 -2.10 0.00 0.00 70.33 67.79 1pp6 n THR 108 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pp6 n ASN 109 N -1.33 1.69 -0.05 3.42 5.15 -0.87 -4.54 115.26 118.73 1pp6 n ASN 109 Ca 0.11 -3.27 -0.13 0.00 -0.60 0.00 0.00 54.58 50.69 1pp6 n ASN 109 Cb 0.22 -0.44 -0.08 0.00 -0.53 0.00 0.00 39.78 38.95 1pp6 n ASN 109 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1pp6 h LEU 110 N 0.61 -1.56 -0.19 1.20 7.12 -0.39 -2.79 115.31 119.31 1pp6 h LEU 110 Ca -0.03 0.21 0.02 0.00 0.13 0.00 0.00 57.88 58.20 1pp6 h LEU 110 Cb 1.14 0.64 -0.02 0.00 -0.53 0.00 0.00 40.66 41.89 1pp6 h LEU 110 CO 0.01 -0.43 -0.11 1.21 -0.13 0.00 0.00 178.44 178.99 1pp6 n GLU 111 N -5.42 -0.08 0.38 1.25 2.13 -1.26 -1.15 120.64 116.48 1pp6 n GLU 111 Ca -0.04 0.66 -0.15 0.00 0.66 0.00 0.00 57.16 58.30 1pp6 n GLU 111 Cb 0.36 -0.99 -0.07 0.00 0.27 0.00 0.00 31.44 31.02 1pp6 n GLU 111 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1pp6 h GLU 112 N 0.00 -0.93 -1.66 5.31 5.08 -1.95 -2.99 114.58 117.44 1pp6 h GLU 112 Ca 0.03 0.06 0.50 0.00 -1.00 0.00 0.00 59.36 58.95 1pp6 h GLU 112 Cb 0.08 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1pp6 h GLU 112 CO -0.18 -0.62 1.17 -1.91 -1.00 0.00 0.00 179.01 176.47 1pp6 n GLU 113 N -4.79 -0.01 -0.33 2.33 4.07 -0.85 0.80 120.64 121.86 1pp6 n GLU 113 Ca -0.12 1.01 0.05 0.00 -0.06 0.00 0.00 57.16 58.05 1pp6 n GLU 113 Cb 0.38 -2.25 0.21 0.00 -0.06 0.00 0.00 31.44 29.72 1pp6 n GLU 113 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1pp6 h SER 114 N 0.00 0.78 -1.47 4.31 0.87 -0.98 -1.47 113.55 115.61 1pp6 h SER 114 Ca 0.84 0.05 0.46 0.00 -1.23 0.00 0.00 61.79 61.91 1pp6 h SER 114 Cb 3.21 -0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 64.96 1pp6 h SER 114 CO -0.11 0.42 0.99 0.28 -0.53 0.00 0.00 176.83 177.88 1pp6 h SER 115 N 0.88 0.17 -4.23 6.23 0.02 0.23 -3.41 113.55 113.43 1pp6 h SER 115 Ca 0.45 0.09 -0.47 0.00 -0.84 0.00 0.00 61.79 61.03 1pp6 h SER 115 Cb 0.45 0.09 0.13 0.00 0.14 0.00 0.00 62.40 63.20 1pp6 h SER 115 CO -0.27 -0.12 0.30 -0.94 -1.14 0.00 0.00 176.83 174.66 1pp6 s SER 116 N -4.40 3.69 -0.41 3.07 1.04 -0.55 -4.99 113.70 111.14 1pp6 s SER 116 Ca -0.07 1.05 0.05 0.00 0.48 0.00 0.00 55.95 57.47 1pp6 s SER 116 Cb 0.29 -1.67 0.68 0.00 0.10 0.00 0.00 66.02 65.41 1pp6 s SER 116 CO 0.84 -2.45 1.87 0.61 0.98 0.00 0.00 173.24 175.09 1pp6 n GLY 117 N -2.13 4.20 0.22 7.32 0.00 -1.26 -4.04 105.19 109.51 1pp6 n GLY 117 Ca 0.07 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 45.08 1pp6 n GLY 117 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pp6 n PHE 118 N -0.83 0.17 -3.84 1.61 1.16 -1.23 -4.13 117.46 110.37 1pp6 n PHE 118 Ca 0.53 -0.59 -0.29 0.00 -1.87 0.00 0.00 57.45 55.24 1pp6 n PHE 118 Cb 1.57 -0.07 -0.16 0.00 -1.61 0.00 0.00 39.48 39.21 1pp6 n PHE 118 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pp6 s LEU 119 N -1.34 2.05 -0.30 5.98 1.43 -1.26 -1.99 118.68 123.25 1pp6 s LEU 119 Ca 0.12 -1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 52.01 1pp6 s LEU 119 Cb 0.09 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 1pp6 s LEU 119 CO 0.05 -0.29 0.14 -1.58 0.23 0.00 0.00 176.35 174.90 1pp6 s GLN 120 N 1.59 3.45 -0.04 1.70 2.00 -0.37 -4.94 119.66 123.05 1pp6 s GLN 120 Ca -0.02 -0.64 -0.13 0.00 -2.00 0.00 0.00 55.36 52.57 1pp6 s GLN 120 Cb -0.18 -3.52 -0.05 0.00 0.80 0.00 0.00 33.01 30.05 1pp6 s GLN 120 CO -0.09 -0.35 0.35 0.12 -0.50 0.00 0.00 175.29 174.82 1pp6 s PHE 121 N 1.62 3.68 -0.19 1.67 5.36 -1.26 -1.24 117.98 127.62 1pp6 s PHE 121 Ca 0.05 0.88 -0.23 0.00 -0.96 0.00 0.00 56.93 56.67 1pp6 s PHE 121 Cb -0.17 -2.24 0.06 0.00 -0.34 0.00 0.00 43.02 40.33 1pp6 s PHE 121 CO 0.06 0.61 0.60 1.21 -1.46 0.00 0.00 175.22 176.25 1pp6 s ASN 122 N -0.88 -0.61 0.29 6.13 2.47 -1.16 -5.04 114.94 116.14 1pp6 s ASN 122 Ca 0.22 1.07 0.11 0.00 0.42 0.00 0.00 52.86 54.67 1pp6 s ASN 122 Cb -0.15 1.07 -0.05 0.00 -1.45 0.00 0.00 41.25 40.67 1pp6 s ASN 122 CO 0.11 -0.30 -0.10 0.42 -3.72 0.00 0.00 177.10 173.51 1pp6 s THR 123 N -0.04 2.82 -0.38 -5.21 -4.23 -1.26 -1.84 115.64 105.50 1pp6 s THR 123 Ca -0.03 -2.17 -0.12 0.00 -1.18 0.00 0.00 61.69 58.19 1pp6 s THR 123 Cb -0.04 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1pp6 s THR 123 CO 0.03 -0.35 0.24 0.21 -0.54 0.00 0.00 174.62 174.20 1pp6 s ASN 124 N -3.60 5.88 0.13 3.99 2.47 -0.33 -4.96 114.94 118.51 1pp6 s ASN 124 Ca 0.31 -0.88 -0.05 0.00 0.42 0.00 0.00 52.86 52.66 1pp6 s ASN 124 Cb -0.04 -2.08 0.19 0.00 -1.45 0.00 0.00 41.25 37.87 1pp6 s ASN 124 CO 0.17 -0.38 0.75 0.59 -3.72 0.00 0.00 177.10 174.52 1pp6 n ASN 125 N 5.06 -0.21 -0.11 -4.21 3.02 -1.26 -2.03 115.26 115.52 1pp6 n ASN 125 Ca -0.12 0.84 -0.21 0.00 -0.03 0.00 0.00 54.58 55.06 1pp6 n ASN 125 Cb 0.47 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 39.33 1pp6 n ASN 125 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1pp6 n VAL 126 N -4.77 1.40 0.00 2.41 0.24 -1.26 -4.41 118.33 111.94 1pp6 n VAL 126 Ca 0.07 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1pp6 n VAL 126 Cb 0.23 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 30.63 1pp6 n VAL 126 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pp6 n LYS 127 N -4.19 0.00 -3.86 7.34 5.02 -1.20 -4.76 118.16 116.52 1pp6 n LYS 127 Ca -0.38 0.24 -0.24 0.00 -2.02 0.00 0.00 58.31 55.91 1pp6 n LYS 127 Cb 0.73 -1.64 -0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1pp6 n LYS 127 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pp6 n LYS 128 N -1.19 -3.65 -3.29 1.97 4.01 -0.86 -4.97 118.16 110.18 1pp6 n LYS 128 Ca 0.00 0.47 -0.12 0.00 -0.51 0.00 0.00 58.31 58.15 1pp6 n LYS 128 Cb 0.14 -4.70 -0.04 0.00 -0.51 0.00 0.00 35.03 29.92 1pp6 n LYS 128 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1pp6 n ASN 129 N -2.99 0.15 -2.54 4.39 0.23 -1.24 -4.24 115.26 109.01 1pp6 n ASN 129 Ca -0.30 -2.23 -0.11 0.00 -0.53 0.00 0.00 54.58 51.41 1pp6 n ASN 129 Cb 0.68 0.81 -0.02 0.00 -2.08 0.00 0.00 39.78 39.18 1pp6 n ASN 129 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1pp6 n SER 130 N -2.08 -1.20 -3.64 0.53 3.41 -0.77 -1.18 113.62 108.69 1pp6 n SER 130 Ca 0.02 -2.45 -0.05 0.00 -0.26 0.00 0.00 58.87 56.12 1pp6 n SER 130 Cb 0.34 2.18 -0.02 0.00 -0.26 0.00 0.00 64.21 66.45 1pp6 n SER 130 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1pp6 s SER 131 N -2.70 -0.25 -0.08 4.04 1.04 -0.76 -0.89 113.70 114.09 1pp6 s SER 131 Ca 0.21 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1pp6 s SER 131 Cb -0.01 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1pp6 s SER 131 CO 0.15 -0.77 -0.14 0.26 0.98 0.00 0.00 173.24 173.72 1pp6 s TRP 132 N -3.20 1.75 -0.54 5.02 0.52 0.19 -2.96 118.94 119.72 1pp6 s TRP 132 Ca 0.09 -0.72 -0.18 0.00 0.02 0.00 0.00 56.10 55.31 1pp6 s TRP 132 Cb -0.01 -1.26 0.10 0.00 -1.15 0.00 0.00 33.47 31.15 1pp6 s TRP 132 CO -0.03 -0.36 0.59 -2.00 0.02 0.00 0.00 176.95 175.18 1pp6 s GLU 133 N 0.76 3.04 -0.15 4.98 2.56 -0.37 -1.05 118.70 128.46 1pp6 s GLU 133 Ca -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 54.97 53.50 1pp6 s GLU 133 Cb -0.16 -4.22 -0.02 0.00 2.00 0.00 0.00 34.13 31.74 1pp6 s GLU 133 CO 0.02 -1.35 -0.10 -0.47 -0.56 0.00 0.00 175.26 172.80 1pp6 s TYR 134 N 2.27 2.88 -0.13 5.30 5.04 0.13 -1.23 117.35 131.60 1pp6 s TYR 134 Ca 0.09 -0.66 -0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1pp6 s TYR 134 Cb -0.25 -1.92 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 1pp6 s TYR 134 CO 0.07 -0.26 -0.13 1.03 -1.34 0.00 0.00 175.55 174.92 1pp6 s ARG 135 N 0.59 3.36 -0.01 4.97 0.52 -0.84 0.29 118.95 127.81 1pp6 s ARG 135 Ca -0.06 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1pp6 s ARG 135 Cb -0.15 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1pp6 s ARG 135 CO 0.03 0.18 -0.05 0.54 0.02 0.00 0.00 175.30 176.02 1pp6 s VAL 136 N 0.44 0.42 -0.74 3.52 0.11 -0.51 -2.73 120.40 120.91 1pp6 s VAL 136 Ca -0.10 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1pp6 s VAL 136 Cb -0.16 -0.39 0.18 0.00 -1.53 0.00 0.00 36.38 34.48 1pp6 s VAL 136 CO 0.05 0.14 0.57 -0.22 -3.33 0.00 0.00 175.10 172.31 1pp6 s LEU 137 N 0.20 5.14 0.33 2.54 2.96 -0.13 -1.35 118.68 128.37 1pp6 s LEU 137 Ca -0.02 -3.52 -0.28 0.00 -0.22 0.00 0.00 54.13 50.09 1pp6 s LEU 137 Cb -0.06 -1.79 -0.09 0.00 0.50 0.00 0.00 46.19 44.75 1pp6 s LEU 137 CO -0.00 -0.19 1.16 -0.36 -1.32 0.00 0.00 176.35 175.64 1pp6 s PHE 138 N -1.02 3.31 -0.29 5.38 0.08 -1.12 -2.84 117.98 121.48 1pp6 s PHE 138 Ca 0.23 1.59 -0.01 0.00 0.12 0.00 0.00 56.93 58.87 1pp6 s PHE 138 Cb -0.11 -3.40 0.18 0.00 -0.57 0.00 0.00 43.02 39.12 1pp6 s PHE 138 CO -0.11 -1.06 0.56 -1.54 -0.10 0.00 0.00 175.22 172.97 1pp6 s SER 139 N -0.89 -1.10 0.40 1.36 1.04 -0.72 0.58 113.70 114.38 1pp6 s SER 139 Ca 0.49 0.69 0.07 0.00 0.48 0.00 0.00 55.95 57.69 1pp6 s SER 139 Cb -0.33 1.96 -0.07 0.00 0.10 0.00 0.00 66.02 67.68 1pp6 s SER 139 CO 0.43 -0.27 0.05 0.68 0.98 0.00 0.00 173.24 175.11 1pp6 s VAL 140 N 2.80 2.13 0.81 5.02 -7.23 -0.46 -2.58 120.40 120.89 1pp6 s VAL 140 Ca 0.19 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 1pp6 s VAL 140 Cb -0.15 -2.97 0.08 0.00 0.56 0.00 0.00 36.38 33.90 1pp6 s VAL 140 CO -0.21 -0.02 1.11 -2.16 -0.31 0.00 0.00 175.10 173.51 1pp6 s PRO 141 N -3.76 1.90 0.03 4.82 0.04 -1.26 0.61 135.00 137.38 1pp6 s PRO 141 Ca 0.37 1.30 0.17 0.00 0.04 0.00 0.00 61.00 62.87 1pp6 s PRO 141 Cb 0.07 -1.85 -0.16 0.00 0.04 0.00 0.00 34.50 32.61 1pp6 s PRO 141 CO 0.19 -1.93 0.75 0.34 0.04 0.00 0.00 177.00 176.39 1pp6 n PHE 142 N -3.70 0.89 0.00 0.56 7.35 -1.04 -4.50 117.46 117.03 1pp6 n PHE 142 Ca 0.10 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1pp6 n PHE 142 Cb 0.53 -1.07 0.00 0.00 0.35 0.00 0.00 39.48 39.29 1pp6 n PHE 142 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pp6 n GLY 143 N 1.42 2.95 0.00 7.13 0.00 -1.26 -4.75 105.19 110.69 1pp6 n GLY 143 Ca -0.11 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 43.97 1pp6 n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pp6 n ASP 144 N 0.00 0.00 -0.74 1.61 9.92 -1.26 -1.12 116.55 124.96 1pp6 n ASP 144 Ca 0.00 0.03 0.12 0.00 -0.53 0.00 0.00 54.79 54.41 1pp6 n ASP 144 Cb 0.00 -0.16 0.33 0.00 -0.64 0.00 0.00 41.12 40.65 1pp6 n ASP 144 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1pp6 n ASN 145 N -1.16 2.24 -2.68 -2.24 5.15 -1.26 -4.40 115.26 110.91 1pp6 n ASN 145 Ca 0.04 -1.78 -0.05 0.00 -0.60 0.00 0.00 54.58 52.19 1pp6 n ASN 145 Cb 0.04 -0.11 0.06 0.00 -0.53 0.00 0.00 39.78 39.24 1pp6 n ASN 145 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pp6 n ALA 146 N 0.71 -1.26 -0.26 5.20 0.00 -0.28 -5.03 120.51 119.60 1pp6 n ALA 146 Ca 0.17 -0.82 0.12 0.00 0.00 0.00 0.00 53.44 52.91 1pp6 n ALA 146 Cb 0.44 -1.43 0.23 0.00 0.00 0.00 0.00 19.45 18.69 1pp6 n ALA 146 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pp6 n PRO 147 N -0.23 -0.06 0.23 0.00 -0.04 -1.15 0.12 135.00 133.87 1pp6 n PRO 147 Ca -0.12 1.14 0.07 0.00 -0.04 0.00 0.00 63.50 64.55 1pp6 n PRO 147 Cb 0.73 -1.82 0.56 0.00 -0.04 0.00 0.00 33.50 32.94 1pp6 n PRO 147 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1pp6 h SER 148 N 0.00 0.00 -3.19 3.54 0.02 -1.96 -3.45 113.55 108.52 1pp6 h SER 148 Ca 0.47 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.84 1pp6 h SER 148 Cb 0.98 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 1pp6 h SER 148 CO -0.71 0.17 -0.18 -0.31 -1.14 0.00 0.00 176.83 174.65 1pp6 s TYR 149 N -4.51 3.60 0.01 3.45 2.02 0.33 -1.29 117.35 120.95 1pp6 s TYR 149 Ca -0.04 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 57.44 1pp6 s TYR 149 Cb 0.15 -2.24 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1pp6 s TYR 149 CO 0.67 0.49 0.25 -0.59 -1.57 0.00 0.00 175.55 174.79 1pp6 s PHE 150 N -1.41 -0.07 0.14 2.71 -0.71 0.13 -2.48 117.98 116.28 1pp6 s PHE 150 Ca 0.34 0.04 -0.15 0.00 -1.04 0.00 0.00 56.93 56.12 1pp6 s PHE 150 Cb -0.14 0.04 -0.07 0.00 -1.21 0.00 0.00 43.02 41.64 1pp6 s PHE 150 CO 0.18 -0.39 0.56 0.71 -1.34 0.00 0.00 175.22 174.94 1pp6 s TYR 151 N -1.71 3.63 -0.18 3.49 2.02 0.20 -0.50 117.35 124.30 1pp6 s TYR 151 Ca -0.11 1.09 -0.05 0.00 -0.37 0.00 0.00 57.07 57.63 1pp6 s TYR 151 Cb -0.05 -2.39 0.06 0.00 -0.40 0.00 0.00 41.96 39.19 1pp6 s TYR 151 CO 0.01 0.44 0.10 -1.12 -1.57 0.00 0.00 175.55 173.41 1pp6 s SER 152 N -1.65 2.42 -0.77 2.29 0.01 -1.02 -1.35 113.70 113.64 1pp6 s SER 152 Ca 0.37 -0.66 -0.15 0.00 1.31 0.00 0.00 55.95 56.81 1pp6 s SER 152 Cb -0.15 -0.23 0.18 0.00 0.21 0.00 0.00 66.02 66.03 1pp6 s SER 152 CO 0.19 -0.36 0.75 -0.22 0.41 0.00 0.00 173.24 174.02 1pp6 s LEU 153 N 2.14 6.35 -0.30 2.44 2.96 0.20 -0.65 118.68 131.81 1pp6 s LEU 153 Ca 0.03 -2.34 -0.29 0.00 -0.22 0.00 0.00 54.13 51.31 1pp6 s LEU 153 Cb -0.16 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1pp6 s LEU 153 CO -0.12 -0.73 1.27 -0.69 -1.32 0.00 0.00 176.35 174.77 1pp6 s VAL 154 N 0.93 4.19 0.03 1.68 1.01 -0.92 -2.78 120.40 124.54 1pp6 s VAL 154 Ca 0.16 1.35 0.07 0.00 0.00 0.00 0.00 61.98 63.56 1pp6 s VAL 154 Cb -0.14 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1pp6 s VAL 154 CO -0.05 -0.46 -0.19 -0.89 0.00 0.00 0.00 175.10 173.50 1pp6 s THR 155 N 4.24 2.68 -0.12 3.92 2.01 -0.45 -0.21 115.64 127.71 1pp6 s THR 155 Ca 0.55 -1.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 1pp6 s THR 155 Cb -0.16 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.29 1pp6 s THR 155 CO 0.22 0.39 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.62 1pp6 s THR 156 N -0.86 0.75 -0.12 -0.82 2.01 0.25 -1.42 115.64 115.41 1pp6 s THR 156 Ca 0.14 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1pp6 s THR 156 Cb -0.10 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1pp6 s THR 156 CO 0.04 0.20 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.42 1pp6 s ILE 157 N 1.81 3.09 -0.19 1.82 1.01 0.14 -1.16 121.20 127.73 1pp6 s ILE 157 Ca 0.03 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 1pp6 s ILE 157 Cb -0.14 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1pp6 s ILE 157 CO -0.07 0.53 -0.16 -0.22 0.00 0.00 0.00 174.94 175.02 1pp6 s LEU 158 N 0.25 2.33 -0.23 2.97 2.96 -0.77 0.22 118.68 126.41 1pp6 s LEU 158 Ca -0.09 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1pp6 s LEU 158 Cb -0.15 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1pp6 s LEU 158 CO 0.05 -0.00 -0.04 0.27 -1.32 0.00 0.00 176.35 175.31 1pp6 s ILE 159 N 1.33 3.24 -0.03 6.68 -4.36 -0.22 -2.11 121.20 125.73 1pp6 s ILE 159 Ca 0.05 -0.66 0.02 0.00 -0.26 0.00 0.00 60.65 59.81 1pp6 s ILE 159 Cb -0.13 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 1pp6 s ILE 159 CO -0.10 0.35 -0.08 -0.89 0.24 0.00 0.00 174.94 174.46 1pp6 s THR 160 N 1.44 3.59 -0.13 8.37 2.01 0.26 0.57 115.64 131.75 1pp6 s THR 160 Ca 0.04 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1pp6 s THR 160 Cb -0.15 -2.51 0.09 0.00 0.01 0.00 0.00 72.50 69.94 1pp6 s THR 160 CO -0.04 0.49 0.81 0.00 -0.69 0.00 0.00 174.62 175.19 1pp6 s ALA 161 N -0.90 -1.84 -0.02 7.40 0.00 -0.07 -0.69 121.76 125.65 1pp6 s ALA 161 Ca 0.15 1.53 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 1pp6 s ALA 161 Cb -0.11 -0.47 -0.31 0.00 0.00 0.00 0.00 23.12 22.23 1pp6 s ALA 161 CO 0.04 -0.34 1.51 -0.40 0.00 0.00 0.00 175.76 176.57 1pp6 n ASP 162 N 1.18 0.89 -4.18 0.00 3.85 -1.11 -2.45 116.55 114.74 1pp6 n ASP 162 Ca -0.15 -2.42 -0.20 0.00 -0.71 0.00 0.00 54.79 51.31 1pp6 n ASP 162 Cb 0.57 -0.52 -0.12 0.00 -1.35 0.00 0.00 41.12 39.70 1pp6 n ASP 162 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1pp6 s ILE 163 N 6.62 1.21 -0.09 2.12 1.09 -1.26 -4.88 121.20 126.01 1pp6 s ILE 163 Ca 0.58 -1.26 -0.11 0.00 -1.10 0.00 0.00 60.65 58.76 1pp6 s ILE 163 Cb 0.13 -1.13 -0.04 0.00 -1.06 0.00 0.00 42.46 40.36 1pp6 s ILE 163 CO 0.29 -0.13 -0.20 -0.62 -0.10 0.00 0.00 174.94 174.17 1pp6 n GLU 164 N 1.42 0.31 -2.68 2.79 1.02 -1.26 -1.84 120.64 120.40 1pp6 n GLU 164 Ca -0.20 0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 1pp6 n GLU 164 Cb 0.54 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.91 1pp6 n GLU 164 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1pp6 s GLU 165 N -2.31 3.84 0.22 3.49 0.41 -1.26 -4.79 118.70 118.31 1pp6 s GLU 165 Ca -0.17 0.65 -0.08 0.00 -0.41 0.00 0.00 54.97 54.96 1pp6 s GLU 165 Cb 0.02 -2.29 0.19 0.00 -1.78 0.00 0.00 34.13 30.27 1pp6 s GLU 165 CO 0.25 -0.12 1.89 -0.22 -0.49 0.00 0.00 175.26 176.56 1pp6 h LYS 166 N 1.13 1.14 0.00 1.61 3.64 -2.01 0.32 116.57 122.41 1pp6 h LYS 166 Ca -0.47 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1pp6 h LYS 166 Cb 1.19 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1pp6 h LYS 166 CO 0.63 0.77 0.00 0.25 -2.27 0.00 0.00 179.45 178.83 1pp6 n THR 167 N -4.47 1.11 -0.14 1.00 -2.24 -1.26 -2.38 114.28 105.91 1pp6 n THR 167 Ca 0.09 0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 62.11 1pp6 n THR 167 Cb 0.03 -1.21 0.05 0.00 -2.10 0.00 0.00 70.33 67.10 1pp6 n THR 167 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pp6 h GLY 168 N 0.67 0.50 1.29 3.38 0.00 -0.72 -2.54 103.07 105.65 1pp6 h GLY 168 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1pp6 h GLY 168 CO 0.00 -0.09 -0.18 0.79 0.00 0.00 0.00 176.54 177.07 1pp6 n TRP 169 N -5.16 0.00 -1.67 5.60 7.02 -1.00 -4.91 117.44 117.32 1pp6 n TRP 169 Ca 0.04 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.08 1pp6 n TRP 169 Cb 0.23 -0.31 -0.02 0.00 -2.42 0.00 0.00 31.31 28.79 1pp6 n TRP 169 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1pp6 n TRP 170 N -1.28 2.10 -1.94 -5.99 5.03 -0.96 -2.76 117.44 111.65 1pp6 n TRP 170 Ca 0.10 0.48 -0.11 0.00 3.03 0.00 0.00 57.50 61.00 1pp6 n TRP 170 Cb 0.31 -2.43 -0.02 0.00 -1.03 0.00 0.00 31.31 28.14 1pp6 n TRP 170 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1pp6 n GLY 171 N 1.87 0.31 3.52 6.99 0.00 -1.26 -5.01 105.19 111.61 1pp6 n GLY 171 Ca 0.10 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1pp6 n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pp6 s LEU 172 N -2.85 0.43 0.14 0.99 1.43 -1.11 -5.05 118.68 112.66 1pp6 s LEU 172 Ca 0.00 0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 53.96 1pp6 s LEU 172 Cb 0.00 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 1pp6 s LEU 172 CO 0.00 -4.26 0.22 0.42 0.23 0.00 0.00 176.35 172.96 1pp6 s THR 173 N -2.73 0.09 0.39 5.49 -4.23 -1.26 -4.60 115.64 108.80 1pp6 s THR 173 Ca 0.69 -1.41 0.16 0.00 -1.18 0.00 0.00 61.69 59.95 1pp6 s THR 173 Cb -0.15 -1.72 0.37 0.00 1.34 0.00 0.00 72.50 72.34 1pp6 s THR 173 CO 0.58 -0.43 1.81 -1.28 -0.54 0.00 0.00 174.62 174.77 1pp6 h SER 174 N 2.65 0.49 0.45 3.99 0.87 -1.96 -2.53 113.55 117.51 1pp6 h SER 174 Ca -0.33 0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 59.99 1pp6 h SER 174 Cb 1.21 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1pp6 h SER 174 CO 0.52 0.16 -1.52 0.28 -0.53 0.00 0.00 176.83 175.74 1pp6 h SER 175 N 0.47 0.41 -1.23 6.23 0.02 -1.95 0.12 113.55 117.62 1pp6 h SER 175 Ca 0.53 -0.56 -0.58 0.00 -0.84 0.00 0.00 61.79 60.34 1pp6 h SER 175 Cb 1.23 -0.13 0.12 0.00 0.14 0.00 0.00 62.40 63.76 1pp6 h SER 175 CO -0.25 1.46 -0.68 0.41 -1.14 0.00 0.00 176.83 176.63 1pp6 n THR 176 N -3.47 1.16 -4.61 -2.27 -1.04 -0.95 -4.55 114.28 98.55 1pp6 n THR 176 Ca -0.16 -0.45 -0.32 0.00 -2.04 0.00 0.00 64.05 61.08 1pp6 n THR 176 Cb 1.04 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.44 1pp6 n THR 176 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pp6 s LYS 177 N -0.91 2.33 0.30 -2.82 1.02 -1.26 -1.62 119.74 116.79 1pp6 s LYS 177 Ca 0.56 -0.83 -0.08 0.00 0.02 0.00 0.00 55.97 55.64 1pp6 s LYS 177 Cb -0.70 -2.35 0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1pp6 s LYS 177 CO 0.54 0.58 0.53 1.17 -0.92 0.00 0.00 175.35 177.25 1pp6 n LYS 178 N 1.65 0.77 -3.47 1.68 3.00 -0.45 -4.96 118.16 116.38 1pp6 n LYS 178 Ca -0.16 -1.93 -0.43 0.00 -0.00 0.00 0.00 58.31 55.79 1pp6 n LYS 178 Cb 0.52 2.17 -0.07 0.00 0.00 0.00 0.00 35.03 37.65 1pp6 n LYS 178 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1pp6 s ASN 179 N -2.66 5.89 -0.15 3.14 0.01 -1.26 -2.02 114.94 117.89 1pp6 s ASN 179 Ca 0.17 -1.77 -0.03 0.00 -0.71 0.00 0.00 52.86 50.51 1pp6 s ASN 179 Cb -0.03 -2.09 -0.03 0.00 0.41 0.00 0.00 41.25 39.52 1pp6 s ASN 179 CO 0.12 -0.73 -0.05 -0.36 -1.51 0.00 0.00 177.10 174.57 1pp6 s PHE 180 N 1.47 2.99 -0.08 2.20 0.08 -0.84 -2.75 117.98 121.05 1pp6 s PHE 180 Ca 0.04 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.77 1pp6 s PHE 180 Cb -0.27 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.27 1pp6 s PHE 180 CO 0.01 -0.04 -0.10 0.00 -0.10 0.00 0.00 175.22 174.99 1pp6 s ALA 181 N 0.31 1.26 -0.03 5.36 0.00 0.13 -2.61 121.76 126.19 1pp6 s ALA 181 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1pp6 s ALA 181 Cb -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.30 1pp6 s ALA 181 CO 0.03 -0.11 0.01 0.14 0.00 0.00 0.00 175.76 175.83 1pp6 s VAL 182 N 1.10 0.11 -0.11 0.00 -7.23 0.16 0.93 120.40 115.36 1pp6 s VAL 182 Ca -0.06 0.14 -0.13 0.00 -1.81 0.00 0.00 61.98 60.12 1pp6 s VAL 182 Cb -0.14 -0.22 -0.05 0.00 0.56 0.00 0.00 36.38 36.52 1pp6 s VAL 182 CO -0.01 0.14 0.29 -1.58 -0.31 0.00 0.00 175.10 173.62 1pp6 s GLN 183 N 1.11 3.98 -0.13 4.82 -0.44 -0.90 -0.64 119.66 127.47 1pp6 s GLN 183 Ca -0.09 0.14 0.00 0.00 -2.50 0.00 0.00 55.36 52.91 1pp6 s GLN 183 Cb -0.13 -3.31 0.02 0.00 -1.64 0.00 0.00 33.01 27.95 1pp6 s GLN 183 CO -0.02 0.49 -0.12 0.42 0.50 0.00 0.00 175.29 176.56 1pp6 s ILE 184 N -0.31 1.38 -0.04 -2.34 1.01 0.94 -1.84 121.20 120.01 1pp6 s ILE 184 Ca 0.18 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.36 1pp6 s ILE 184 Cb -0.14 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1pp6 s ILE 184 CO 0.07 0.43 -0.20 -1.81 0.00 0.00 0.00 174.94 173.42 1pp6 s ASP 185 N 1.48 2.42 -0.20 3.58 1.01 -0.30 -1.48 116.67 123.17 1pp6 s ASP 185 Ca 0.03 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 52.85 1pp6 s ASP 185 Cb -0.13 -0.54 0.10 0.00 1.01 0.00 0.00 42.92 43.36 1pp6 s ASP 185 CO -0.09 0.20 0.39 0.00 0.21 0.00 0.00 175.17 175.89 1pp6 s ALA 186 N -0.17 -1.07 -0.36 5.23 0.00 -1.14 0.84 121.76 125.09 1pp6 s ALA 186 Ca -0.00 1.26 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 1pp6 s ALA 186 Cb -0.11 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.66 1pp6 s ALA 186 CO 0.02 -0.89 0.16 -1.17 0.00 0.00 0.00 175.76 173.88 1pp6 s LEU 187 N 2.57 4.58 0.24 0.00 0.20 0.71 -3.39 118.68 123.59 1pp6 s LEU 187 Ca 0.03 -1.11 -0.26 0.00 0.69 0.00 0.00 54.13 53.48 1pp6 s LEU 187 Cb -0.13 -1.95 -0.09 0.00 -0.43 0.00 0.00 46.19 43.59 1pp6 s LEU 187 CO -0.13 -0.37 0.87 -0.70 -0.29 0.00 0.00 176.35 175.72 1pp6 s GLU 188 N 1.47 4.62 0.25 1.98 2.12 -0.72 -2.16 118.70 126.26 1pp6 s GLU 188 Ca 0.00 1.27 0.05 0.00 0.36 0.00 0.00 54.97 56.65 1pp6 s GLU 188 Cb -0.20 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 1pp6 s GLU 188 CO 0.05 0.45 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.65 1pp6 s LEU 189 N -1.53 2.39 -0.17 2.70 1.43 0.17 -2.95 118.68 120.73 1pp6 s LEU 189 Ca 0.42 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1pp6 s LEU 189 Cb -0.22 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.54 1pp6 s LEU 189 CO 0.27 -0.39 -0.11 -0.69 0.23 0.00 0.00 176.35 175.66 1pp6 s VAL 190 N -3.17 1.50 0.12 -1.59 1.01 -0.59 -2.44 120.40 115.23 1pp6 s VAL 190 Ca 0.28 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1pp6 s VAL 190 Cb 0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1pp6 s VAL 190 CO 0.10 0.31 -0.21 -0.69 0.00 0.00 0.00 175.10 174.60 1pp6 s VAL 191 N 1.49 2.65 0.14 2.92 1.01 0.34 -1.43 120.40 127.51 1pp6 s VAL 191 Ca 0.02 -1.59 0.09 0.00 0.00 0.00 0.00 61.98 60.51 1pp6 s VAL 191 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1pp6 s VAL 191 CO -0.09 0.10 -0.18 -0.75 0.00 0.00 0.00 175.10 174.18 1pp6 s LYS 192 N -2.11 1.77 0.22 2.72 2.20 0.71 0.18 119.74 125.42 1pp6 s LYS 192 Ca 0.17 -1.25 -0.31 0.00 -0.36 0.00 0.00 55.97 54.22 1pp6 s LYS 192 Cb -0.10 -2.07 -0.15 0.00 -1.51 0.00 0.00 37.83 33.99 1pp6 s LYS 192 CO 0.09 0.46 1.01 1.63 -0.36 0.00 0.00 175.35 178.18 1pp6 n LYS 193 N 0.60 1.03 0.00 4.03 5.02 -0.41 -1.90 118.16 126.52 1pp6 n LYS 193 Ca -0.14 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1pp6 n LYS 193 Cb 0.54 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1pp6 n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pp6 n GLY 194 N 1.70 3.41 3.60 0.72 0.00 -1.26 -4.99 105.19 108.36 1pp6 n GLY 194 Ca 0.14 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.58 1pp6 n GLY 194 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pp6 n PHE 195 N -1.85 1.35 -4.80 1.61 7.35 -0.80 -4.92 117.46 115.40 1pp6 n PHE 195 Ca 0.00 0.82 -0.26 0.00 -0.76 0.00 0.00 57.45 57.25 1pp6 n PHE 195 Cb 0.00 -2.26 -0.16 0.00 0.35 0.00 0.00 39.48 37.41 1pp6 n PHE 195 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1pp6 s LYS 196 N 1.14 1.79 -0.31 -4.13 1.02 -1.26 -4.66 119.74 113.33 1pp6 s LYS 196 Ca 0.91 -0.58 -0.32 0.00 0.02 0.00 0.00 55.97 56.00 1pp6 s LYS 196 Cb -1.14 -1.53 -0.09 0.00 -0.52 0.00 0.00 37.83 34.55 1pp6 s LYS 196 CO 0.57 0.20 2.21 0.00 -0.92 0.00 0.00 175.35 177.42 1pp6 n ALA 197 N 3.26 1.33 0.79 5.17 0.00 -1.26 -5.06 120.51 124.75 1pp6 n ALA 197 Ca -0.19 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.16 1pp6 n ALA 197 Cb 0.53 -2.70 0.38 0.00 0.00 0.00 0.00 19.45 17.66 1pp6 n ALA 197 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15