#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo6 n ASP 2 N 0.00 0.35 0.23 7.83 2.03 -1.26 -4.75 116.55 120.98 1oo6 n ASP 2 Ca 0.00 0.10 0.16 0.00 0.52 0.00 0.00 54.79 55.57 1oo6 n ASP 2 Cb 0.00 -0.07 0.74 0.00 -0.72 0.00 0.00 41.12 41.07 1oo6 n ASP 2 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1oo6 h ILE 3 N 0.00 0.00 -0.45 5.18 -0.00 -2.02 -2.09 117.51 118.13 1oo6 h ILE 3 Ca 0.00 -0.22 -0.14 0.00 -0.00 0.00 0.00 64.86 64.50 1oo6 h ILE 3 Cb 0.43 1.05 -0.01 0.00 -0.00 0.00 0.00 36.82 38.30 1oo6 h ILE 3 CO 0.00 0.00 -0.27 0.40 -0.00 0.00 0.00 178.15 178.28 1oo6 h ILE 4 N 0.00 1.27 -0.54 0.16 1.08 -1.99 0.07 117.51 117.56 1oo6 h ILE 4 Ca 0.00 -1.44 -0.03 0.00 -0.39 0.00 0.00 64.86 63.00 1oo6 h ILE 4 Cb 0.26 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1oo6 h ILE 4 CO 0.00 0.49 0.20 0.28 -0.69 0.00 0.00 178.15 178.43 1oo6 h SER 5 N 0.81 0.76 -0.56 1.72 0.02 -1.68 0.11 113.55 114.73 1oo6 h SER 5 Ca 0.09 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1oo6 h SER 5 Cb 0.86 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1oo6 h SER 5 CO 0.08 0.73 0.37 0.58 -1.14 0.00 0.00 176.83 177.44 1oo6 h VAL 6 N 0.74 1.14 -0.53 2.27 2.07 -1.30 0.38 116.25 121.02 1oo6 h VAL 6 Ca 0.18 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1oo6 h VAL 6 Cb 0.22 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1oo6 h VAL 6 CO -0.01 0.14 -0.08 0.00 0.02 0.00 0.00 177.57 177.63 1oo6 h ALA 7 N 1.21 0.86 0.00 1.67 0.00 -0.49 0.11 119.26 122.62 1oo6 h ALA 7 Ca 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1oo6 h ALA 7 Cb -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1oo6 h ALA 7 CO -0.05 0.65 -0.11 -0.07 0.00 0.00 0.00 179.25 179.67 1oo6 h LEU 8 N 0.87 0.00 0.00 0.00 3.38 -0.43 -3.34 115.31 115.78 1oo6 h LEU 8 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1oo6 h LEU 8 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1oo6 h LEU 8 CO 0.04 0.11 -1.93 0.29 0.09 0.00 0.00 178.44 177.04 1oo6 n LYS 9 N -3.14 0.65 -0.93 1.13 5.02 0.09 -4.92 118.16 116.06 1oo6 n LYS 9 Ca 0.03 -0.15 -0.31 0.00 -2.02 0.00 0.00 58.31 55.86 1oo6 n LYS 9 Cb 0.53 -1.46 0.14 0.00 -0.02 0.00 0.00 35.03 34.23 1oo6 n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1oo6 s ARG 10 N -3.20 1.42 0.24 1.97 1.70 0.38 -5.05 118.95 116.41 1oo6 s ARG 10 Ca -0.07 1.34 -0.22 0.00 -0.47 0.00 0.00 55.73 56.31 1oo6 s ARG 10 Cb 0.11 -1.79 0.04 0.00 -0.57 0.00 0.00 34.95 32.74 1oo6 s ARG 10 CO 0.79 -2.29 0.69 -3.38 -1.08 0.00 0.00 175.30 170.03 1oo6 s HIS 11 N -2.75 -0.30 -0.46 5.89 -3.43 -1.26 -5.01 115.29 107.97 1oo6 s HIS 11 Ca 0.64 -0.09 -0.25 0.00 -0.80 0.00 0.00 55.06 54.57 1oo6 s HIS 11 Cb -0.20 0.66 0.03 0.00 -1.43 0.00 0.00 32.58 31.64 1oo6 s HIS 11 CO 0.57 -1.11 0.91 -1.12 -2.00 0.00 0.00 174.74 171.99 1oo6 s SER 12 N -2.87 6.48 0.24 7.38 0.01 -1.26 -4.44 113.70 119.24 1oo6 s SER 12 Ca 0.08 0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 1oo6 s SER 12 Cb -0.04 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.65 1oo6 s SER 12 CO 0.01 -1.04 1.30 0.42 0.41 0.00 0.00 173.24 174.34 1oo6 s THR 13 N 3.71 3.08 -0.66 1.44 -4.23 -0.38 -4.81 115.64 113.79 1oo6 s THR 13 Ca 0.36 0.94 0.22 0.00 -1.18 0.00 0.00 61.69 62.03 1oo6 s THR 13 Cb -0.10 -3.60 -0.23 0.00 1.34 0.00 0.00 72.50 69.91 1oo6 s THR 13 CO 0.26 0.17 0.83 0.29 -0.54 0.00 0.00 174.62 175.62 1oo6 n LYS 14 N 2.08 0.24 -3.70 3.99 4.76 -1.26 -4.67 118.16 119.60 1oo6 n LYS 14 Ca 0.04 -0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1oo6 n LYS 14 Cb 0.42 -1.52 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 1oo6 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oo6 s ALA 15 N -3.18 -1.11 0.09 7.82 0.00 -1.26 -4.84 121.76 119.28 1oo6 s ALA 15 Ca 0.03 1.51 0.04 0.00 0.00 0.00 0.00 51.96 53.54 1oo6 s ALA 15 Cb 0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1oo6 s ALA 15 CO 0.86 -0.26 0.03 -0.06 0.00 0.00 0.00 175.76 176.33 1oo6 s PHE 16 N 1.12 3.06 -0.62 0.00 0.08 -1.26 -1.04 117.98 119.31 1oo6 s PHE 16 Ca -0.07 0.01 -0.19 0.00 0.12 0.00 0.00 56.93 56.80 1oo6 s PHE 16 Cb -0.07 -1.56 0.11 0.00 -0.57 0.00 0.00 43.02 40.93 1oo6 s PHE 16 CO -0.10 0.49 0.74 0.34 -0.10 0.00 0.00 175.22 176.60 1oo6 s ASP 17 N -2.34 6.22 0.65 1.36 3.68 -0.02 -4.59 116.67 121.64 1oo6 s ASP 17 Ca 0.27 -1.49 0.33 0.00 2.13 0.00 0.00 52.55 53.79 1oo6 s ASP 17 Cb -0.12 -2.31 1.82 0.00 -1.45 0.00 0.00 42.92 40.86 1oo6 s ASP 17 CO 0.20 -1.11 2.05 0.00 0.13 0.00 0.00 175.17 176.44 1oo6 h ALA 18 N 9.14 1.37 0.00 3.66 0.00 -1.84 -1.78 119.26 129.81 1oo6 h ALA 18 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1oo6 h ALA 18 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1oo6 h ALA 18 CO 1.09 -0.27 -0.37 0.66 0.00 0.00 0.00 179.25 180.36 1oo6 h SER 19 N 0.00 0.00 -3.12 0.00 4.64 -1.91 -3.44 113.55 109.72 1oo6 h SER 19 Ca 0.03 -0.09 -0.68 0.00 -0.47 0.00 0.00 61.79 60.57 1oo6 h SER 19 Cb 0.52 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.43 1oo6 h SER 19 CO -0.00 0.05 0.14 -0.54 -0.87 0.00 0.00 176.83 175.60 1oo6 s LYS 20 N -3.17 3.12 0.22 4.77 3.01 -0.67 -5.05 119.74 121.97 1oo6 s LYS 20 Ca 0.07 -0.95 0.03 0.00 -1.01 0.00 0.00 55.97 54.12 1oo6 s LYS 20 Cb 0.12 -4.15 -0.03 0.00 -1.01 0.00 0.00 37.83 32.76 1oo6 s LYS 20 CO 0.68 -1.36 0.36 0.15 0.51 0.00 0.00 175.35 175.69 1oo6 s LYS 21 N 2.84 3.45 0.58 1.68 -0.14 -1.26 -4.33 119.74 122.57 1oo6 s LYS 21 Ca 0.16 -0.62 -0.18 0.00 -1.36 0.00 0.00 55.97 53.96 1oo6 s LYS 21 Cb -0.20 -2.88 -0.04 0.00 -1.68 0.00 0.00 37.83 33.03 1oo6 s LYS 21 CO 0.11 0.42 1.14 -0.51 -0.76 0.00 0.00 175.35 175.76 1oo6 s LEU 22 N -3.72 3.66 0.74 3.17 1.43 -1.26 -5.00 118.68 117.69 1oo6 s LEU 22 Ca 0.35 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 1oo6 s LEU 22 Cb -0.10 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.57 1oo6 s LEU 22 CO 0.30 -1.40 1.08 0.28 0.23 0.00 0.00 176.35 176.83 1oo6 s THR 23 N -1.84 3.63 0.30 5.49 -1.32 -1.26 -4.81 115.64 115.84 1oo6 s THR 23 Ca 0.73 0.53 0.02 0.00 -1.21 0.00 0.00 61.69 61.76 1oo6 s THR 23 Cb -0.25 -3.27 0.29 0.00 -1.51 0.00 0.00 72.50 67.76 1oo6 s THR 23 CO 0.31 -0.69 1.87 -0.65 -2.21 0.00 0.00 174.62 173.25 1oo6 h PRO 24 N -0.87 0.94 -0.23 7.08 0.11 -2.00 -1.39 132.00 135.64 1oo6 h PRO 24 Ca -0.45 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1oo6 h PRO 24 Cb 1.23 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1oo6 h PRO 24 CO 0.58 0.62 -0.25 0.93 -0.21 0.00 0.00 178.00 179.67 1oo6 h GLU 25 N 0.97 0.57 -1.00 1.05 4.39 -2.00 -3.08 114.58 115.48 1oo6 h GLU 25 Ca 0.44 -0.31 0.06 0.00 0.34 0.00 0.00 59.36 59.89 1oo6 h GLU 25 Cb 0.40 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 1oo6 h GLU 25 CO -0.20 0.90 0.65 1.96 -1.16 0.00 0.00 179.01 181.15 1oo6 h GLN 26 N 0.26 1.16 -0.77 2.33 4.20 -1.80 -0.17 115.11 120.31 1oo6 h GLN 26 Ca 0.03 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.71 1oo6 h GLN 26 Cb 0.81 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1oo6 h GLN 26 CO 0.06 0.77 0.51 0.00 -0.67 0.00 0.00 178.83 179.49 1oo6 h ALA 27 N 1.45 1.56 -0.06 3.87 0.00 -1.19 -1.14 119.26 123.75 1oo6 h ALA 27 Ca 0.42 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 55.06 1oo6 h ALA 27 Cb 0.12 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1oo6 h ALA 27 CO -0.16 0.35 -0.91 0.93 0.00 0.00 0.00 179.25 179.46 1oo6 h GLU 28 N 0.92 0.68 -0.93 0.00 4.39 -1.08 -3.24 114.58 115.33 1oo6 h GLU 28 Ca 0.31 -0.65 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 1oo6 h GLU 28 Cb 0.08 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1oo6 h GLU 28 CO -0.09 1.25 0.55 1.96 -1.16 0.00 0.00 179.01 181.52 1oo6 h GLN 29 N 0.42 1.27 -0.07 2.33 4.20 -0.37 -1.77 115.11 121.12 1oo6 h GLN 29 Ca -0.09 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 1oo6 h GLN 29 Cb 1.55 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 1oo6 h GLN 29 CO 0.18 0.90 -0.25 -0.84 -0.67 0.00 0.00 178.83 178.15 1oo6 h ILE 30 N 1.29 1.21 -0.24 2.54 3.07 -1.30 -0.35 117.51 123.73 1oo6 h ILE 30 Ca 0.33 -0.99 -0.19 0.00 1.55 0.00 0.00 64.86 65.56 1oo6 h ILE 30 Cb -0.04 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 1oo6 h ILE 30 CO -0.06 0.29 -0.61 0.11 -1.05 0.00 0.00 178.15 176.84 1oo6 h LYS 31 N 0.11 0.80 -0.66 0.16 1.57 -1.43 -1.89 116.57 115.22 1oo6 h LYS 31 Ca 0.02 -0.54 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 1oo6 h LYS 31 Cb 0.50 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1oo6 h LYS 31 CO 0.04 1.16 0.20 1.15 -0.57 0.00 0.00 179.45 181.43 1oo6 h THR 32 N 0.59 1.24 -0.19 -0.16 2.02 -0.75 -1.76 112.91 113.91 1oo6 h THR 32 Ca -0.00 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1oo6 h THR 32 Cb 1.21 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1oo6 h THR 32 CO 0.13 0.33 0.10 -0.07 0.37 0.00 0.00 175.52 176.38 1oo6 h LEU 33 N 0.98 0.23 -0.35 2.58 4.07 -0.83 -0.83 115.31 121.15 1oo6 h LEU 33 Ca 0.22 -0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.14 1oo6 h LEU 33 Cb 0.28 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 1oo6 h LEU 33 CO -0.01 0.26 0.07 -0.07 -1.08 0.00 0.00 178.44 177.60 1oo6 h LEU 34 N 0.20 0.00 -0.15 1.67 3.38 -0.95 -3.20 115.31 116.26 1oo6 h LEU 34 Ca 0.07 0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 1oo6 h LEU 34 Cb 0.07 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1oo6 h LEU 34 CO -0.01 0.04 -0.96 -0.61 0.09 0.00 0.00 178.44 176.99 1oo6 h GLN 35 N 0.19 0.43 -0.04 1.13 5.75 -1.07 -3.32 115.11 118.18 1oo6 h GLN 35 Ca 0.17 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1oo6 h GLN 35 Cb 0.19 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1oo6 h GLN 35 CO -0.22 1.13 0.00 0.66 -2.65 0.00 0.00 178.83 177.74 1oo6 n TYR 36 N -3.75 0.05 -2.03 3.99 4.02 -0.34 -4.89 117.16 114.22 1oo6 n TYR 36 Ca -0.07 -0.03 -0.39 0.00 -0.01 0.00 0.00 57.90 57.41 1oo6 n TYR 36 Cb 0.85 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.17 1oo6 n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1oo6 s SER 37 N -1.33 6.02 0.85 7.72 0.15 -1.21 -5.00 113.70 120.90 1oo6 s SER 37 Ca 0.18 2.61 -0.12 0.00 0.70 0.00 0.00 55.95 59.32 1oo6 s SER 37 Cb 0.08 -2.63 0.10 0.00 -1.71 0.00 0.00 66.02 61.87 1oo6 s SER 37 CO 0.14 -1.05 1.12 -2.16 1.20 0.00 0.00 173.24 172.49 1oo6 s PRO 38 N -2.51 1.65 -0.18 5.44 0.04 -1.26 -5.01 135.00 133.16 1oo6 s PRO 38 Ca 0.62 0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1oo6 s PRO 38 Cb -0.37 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.40 1oo6 s PRO 38 CO 0.46 -1.88 0.93 -1.54 0.04 0.00 0.00 177.00 175.01 1oo6 s SER 39 N -4.03 -0.47 0.04 6.66 1.04 -1.26 -4.73 113.70 110.95 1oo6 s SER 39 Ca 0.62 0.67 -0.37 0.00 0.48 0.00 0.00 55.95 57.35 1oo6 s SER 39 Cb -0.14 0.59 -0.16 0.00 0.10 0.00 0.00 66.02 66.41 1oo6 s SER 39 CO 0.53 -0.33 1.44 -0.24 0.98 0.00 0.00 173.24 175.63 1oo6 n SER 40 N 1.31 1.98 -0.60 7.02 2.88 -1.26 -0.22 113.62 124.74 1oo6 n SER 40 Ca -0.13 1.10 -0.07 0.00 -1.33 0.00 0.00 58.87 58.45 1oo6 n SER 40 Cb 0.57 -1.22 -0.03 0.00 -0.75 0.00 0.00 64.21 62.78 1oo6 n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1oo6 n THR 41 N 3.01 0.00 -2.52 2.46 -2.24 -1.26 -1.30 114.28 112.43 1oo6 n THR 41 Ca 0.20 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.78 1oo6 n THR 41 Cb 0.20 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1oo6 n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1oo6 n ASN 42 N -0.51 -5.48 0.25 3.42 4.05 0.70 -4.89 115.26 112.80 1oo6 n ASN 42 Ca -0.07 -0.08 0.11 0.00 0.45 0.00 0.00 54.58 54.99 1oo6 n ASN 42 Cb 0.47 -4.47 0.67 0.00 1.23 0.00 0.00 39.78 37.68 1oo6 n ASN 42 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1oo6 h SER 43 N -0.35 0.00 -6.94 1.20 4.64 -1.36 -3.47 113.55 107.27 1oo6 h SER 43 Ca -0.45 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.32 1oo6 h SER 43 Cb 1.33 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.31 1oo6 h SER 43 CO 0.52 0.14 -0.88 0.00 -0.87 0.00 0.00 176.83 175.74 1oo6 n GLN 44 N -3.74 -0.62 -0.97 4.77 6.02 -1.26 -4.76 117.38 116.82 1oo6 n GLN 44 Ca -0.02 0.03 -0.20 0.00 -0.01 0.00 0.00 57.00 56.81 1oo6 n GLN 44 Cb 0.26 -2.64 -0.10 0.00 1.02 0.00 0.00 30.24 28.78 1oo6 n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1oo6 n PRO 45 N -4.42 2.32 -4.18 -1.09 -0.04 -1.26 -4.83 135.00 121.49 1oo6 n PRO 45 Ca -0.20 -1.30 -0.12 0.00 -0.04 0.00 0.00 63.50 61.83 1oo6 n PRO 45 Cb 0.56 -2.24 -0.09 0.00 -0.04 0.00 0.00 33.50 31.70 1oo6 n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1oo6 s TRP 46 N 1.79 1.11 -0.10 0.54 -2.14 -1.26 -1.80 118.94 117.07 1oo6 s TRP 46 Ca 0.59 -1.32 -0.14 0.00 2.66 0.00 0.00 56.10 57.89 1oo6 s TRP 46 Cb 0.23 -0.47 0.03 0.00 -3.10 0.00 0.00 33.47 30.16 1oo6 s TRP 46 CO -0.02 -0.71 0.37 -1.58 -2.66 0.00 0.00 176.95 172.34 1oo6 s HIS 47 N -4.06 -0.35 0.02 1.66 2.46 -0.23 -4.92 115.29 109.87 1oo6 s HIS 47 Ca 0.37 0.80 0.06 0.00 0.47 0.00 0.00 55.06 56.76 1oo6 s HIS 47 Cb 0.05 0.14 -0.02 0.00 -0.13 0.00 0.00 32.58 32.62 1oo6 s HIS 47 CO 0.13 -0.26 -0.19 -0.06 -2.47 0.00 0.00 174.74 171.89 1oo6 s PHE 48 N -0.27 1.63 -0.21 3.88 0.08 -1.26 -0.77 117.98 121.06 1oo6 s PHE 48 Ca -0.04 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 1oo6 s PHE 48 Cb -0.03 -1.01 0.00 0.00 -0.57 0.00 0.00 43.02 41.41 1oo6 s PHE 48 CO 0.02 0.03 -0.09 0.42 -0.10 0.00 0.00 175.22 175.50 1oo6 s ILE 49 N -0.65 2.95 -0.32 0.64 1.01 -0.67 -4.97 121.20 119.20 1oo6 s ILE 49 Ca 0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 1oo6 s ILE 49 Cb -0.08 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.11 1oo6 s ILE 49 CO 0.01 0.44 0.05 -0.69 0.00 0.00 0.00 174.94 174.75 1oo6 s VAL 50 N 1.41 3.40 -0.28 2.92 1.01 -1.26 -0.60 120.40 127.01 1oo6 s VAL 50 Ca 0.05 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 1oo6 s VAL 50 Cb -0.14 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1oo6 s VAL 50 CO -0.06 -0.11 0.18 0.00 0.00 0.00 0.00 175.10 175.10 1oo6 s ALA 51 N 1.34 3.50 0.00 5.51 0.00 0.10 -4.93 121.76 127.28 1oo6 s ALA 51 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1oo6 s ALA 51 Cb -0.19 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1oo6 s ALA 51 CO 0.01 -0.54 0.00 -1.13 0.00 0.00 0.00 175.76 174.10 1oo6 n SER 52 N 5.03 1.94 -4.94 0.00 3.41 -1.26 -0.41 113.62 117.39 1oo6 n SER 52 Ca -0.14 -0.25 -0.24 0.00 -0.26 0.00 0.00 58.87 57.98 1oo6 n SER 52 Cb 0.52 0.89 -0.02 0.00 -0.26 0.00 0.00 64.21 65.34 1oo6 n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1oo6 s THR 53 N -1.28 5.14 0.24 6.66 -4.23 -1.26 -4.88 115.64 116.03 1oo6 s THR 53 Ca 0.00 -0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1oo6 s THR 53 Cb 0.00 -3.84 0.22 0.00 1.34 0.00 0.00 72.50 70.22 1oo6 s THR 53 CO 0.00 -0.47 1.88 -0.33 -0.54 0.00 0.00 174.62 175.16 1oo6 h GLU 54 N 0.99 1.06 -0.35 3.99 4.39 -1.97 -0.22 114.58 122.48 1oo6 h GLU 54 Ca -0.50 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.08 1oo6 h GLU 54 Cb 1.22 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1oo6 h GLU 54 CO 0.62 0.70 -0.00 0.93 -1.16 0.00 0.00 179.01 180.11 1oo6 h GLU 55 N 1.10 0.62 -0.20 2.33 3.07 -1.99 -2.08 114.58 117.42 1oo6 h GLU 55 Ca 0.36 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1oo6 h GLU 55 Cb 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1oo6 h GLU 55 CO -0.13 0.74 0.12 0.78 -1.40 0.00 0.00 179.01 179.12 1oo6 h GLY 56 N 0.43 0.29 1.90 -3.84 0.00 -1.79 -1.86 103.07 98.20 1oo6 h GLY 56 Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1oo6 h GLY 56 CO 0.02 0.12 -0.27 0.50 0.00 0.00 0.00 176.54 176.90 1oo6 h LYS 57 N 0.24 0.12 -0.62 4.80 1.57 -1.06 -2.53 116.57 119.09 1oo6 h LYS 57 Ca 0.07 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1oo6 h LYS 57 Cb 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1oo6 h LYS 57 CO -0.01 0.39 0.03 0.00 -0.57 0.00 0.00 179.45 179.29 1oo6 h ALA 58 N 1.61 0.87 -0.26 3.86 0.00 -0.96 0.20 119.26 124.59 1oo6 h ALA 58 Ca 0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1oo6 h ALA 58 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1oo6 h ALA 58 CO 0.04 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.73 1oo6 h ARG 59 N 0.99 0.49 -0.15 0.00 3.08 -1.01 -2.87 114.38 114.91 1oo6 h ARG 59 Ca 0.18 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1oo6 h ARG 59 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1oo6 h ARG 59 CO 0.03 0.69 -0.35 0.28 -1.07 0.00 0.00 179.97 179.54 1oo6 h VAL 60 N 0.44 1.36 0.00 2.04 2.07 -1.03 -3.17 116.25 117.96 1oo6 h VAL 60 Ca 0.07 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1oo6 h VAL 60 Cb 0.64 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1oo6 h VAL 60 CO 0.05 0.49 0.00 0.00 0.02 0.00 0.00 177.57 178.12 1oo6 n ALA 61 N -2.50 1.33 0.25 1.67 0.00 0.65 -1.89 120.51 120.02 1oo6 n ALA 61 Ca -0.07 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1oo6 n ALA 61 Cb 0.51 -1.05 0.62 0.00 0.00 0.00 0.00 19.45 19.54 1oo6 n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1oo6 h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.50 -2.15 116.57 114.49 1oo6 h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oo6 h LYS 62 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1oo6 h LYS 62 CO 0.00 0.15 0.00 -1.13 -0.57 0.00 0.00 179.45 177.90 1oo6 n SER 63 N -3.43 0.00 -3.54 0.86 3.41 -0.79 -4.07 113.62 106.05 1oo6 n SER 63 Ca -0.01 0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 58.62 1oo6 n SER 63 Cb 0.33 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 1oo6 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oo6 n ALA 64 N -1.47 6.44 -3.39 7.33 0.00 -0.81 0.40 120.51 129.01 1oo6 n ALA 64 Ca 0.08 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 49.18 1oo6 n ALA 64 Cb 0.31 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1oo6 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oo6 n ALA 65 N 0.78 0.00 -0.48 0.00 0.00 -1.26 -3.75 120.51 115.80 1oo6 n ALA 65 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1oo6 n ALA 65 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1oo6 n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oo6 n GLY 66 N 5.00 2.89 0.00 0.00 0.00 -1.26 0.09 105.19 111.92 1oo6 n GLY 66 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1oo6 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oo6 n ASN 67 N 2.31 0.00 -1.06 1.61 3.02 -1.26 -3.35 115.26 116.53 1oo6 n ASN 67 Ca 0.00 -1.76 0.08 0.00 -0.03 0.00 0.00 54.58 52.87 1oo6 n ASN 67 Cb 0.00 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.43 1oo6 n ASN 67 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1oo6 n TYR 68 N -0.62 0.91 0.32 3.10 0.53 0.11 -4.59 117.16 116.93 1oo6 n TYR 68 Ca 0.06 -0.60 0.20 0.00 -1.02 0.00 0.00 57.90 56.54 1oo6 n TYR 68 Cb 0.03 -0.13 1.09 0.00 -1.03 0.00 0.00 39.34 39.29 1oo6 n TYR 68 CO 0.00 0.00 0.00 -0.39 -1.02 0.00 0.00 176.86 175.45 1oo6 h VAL 69 N 2.91 0.19 0.00 -0.72 -1.51 -1.55 -2.02 116.25 113.54 1oo6 h VAL 69 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1oo6 h VAL 69 Cb 1.10 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1oo6 h VAL 69 CO 0.10 0.01 0.00 2.22 -1.23 0.00 0.00 177.57 178.67 1oo6 n PHE 70 N -3.34 0.74 0.79 5.19 1.16 -1.26 -2.23 117.46 118.51 1oo6 n PHE 70 Ca -0.03 0.33 0.09 0.00 -1.87 0.00 0.00 57.45 55.98 1oo6 n PHE 70 Cb 0.09 -1.03 0.08 0.00 -1.61 0.00 0.00 39.48 37.01 1oo6 n PHE 70 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1oo6 n ASN 71 N -2.21 2.57 0.06 5.98 3.02 -0.76 -4.63 115.26 119.29 1oo6 n ASN 71 Ca 0.01 -1.79 -0.12 0.00 -0.03 0.00 0.00 54.58 52.65 1oo6 n ASN 71 Cb 0.14 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1oo6 n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1oo6 h GLU 72 N 3.70 -0.07 -0.40 3.52 4.81 -1.59 -2.93 114.58 121.61 1oo6 h GLU 72 Ca 0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1oo6 h GLU 72 Cb 0.79 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 1oo6 h GLU 72 CO 0.00 -0.05 0.02 0.00 -0.73 0.00 0.00 179.01 178.25 1oo6 h ARG 73 N -0.08 0.13 -0.72 1.92 2.47 -1.82 -2.04 114.38 114.24 1oo6 h ARG 73 Ca -0.00 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 1oo6 h ARG 73 Cb 0.07 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.30 1oo6 h ARG 73 CO -0.00 0.08 0.38 0.87 0.56 0.00 0.00 179.97 181.86 1oo6 h LYS 74 N 0.13 0.64 0.00 0.04 1.57 -1.85 0.39 116.57 117.49 1oo6 h LYS 74 Ca 0.20 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1oo6 h LYS 74 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1oo6 h LYS 74 CO -0.31 0.42 -0.41 0.52 -0.57 0.00 0.00 179.45 179.10 1oo6 h MET 75 N 0.66 0.00 0.00 3.15 2.86 -1.25 -2.86 114.93 117.50 1oo6 h MET 75 Ca 0.35 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.72 1oo6 h MET 75 Cb 0.32 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1oo6 h MET 75 CO -0.24 0.41 -1.92 1.28 1.06 0.00 0.00 176.91 177.49 1oo6 n LEU 76 N -3.87 0.46 0.12 1.22 4.77 -0.75 -4.45 117.00 114.49 1oo6 n LEU 76 Ca -0.01 0.21 0.10 0.00 -0.03 0.00 0.00 56.01 56.28 1oo6 n LEU 76 Cb 0.46 0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.84 1oo6 n LEU 76 CO 0.38 0.34 0.15 0.44 -1.33 0.00 0.00 177.39 177.37 1oo6 h ASP 77 N 0.00 0.00 -4.21 -1.43 3.32 -0.31 -3.47 116.42 110.32 1oo6 h ASP 77 Ca -0.33 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.21 1oo6 h ASP 77 Cb 1.91 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.57 1oo6 h ASP 77 CO 0.05 0.06 0.37 0.00 -1.72 0.00 0.00 179.24 178.00 1oo6 s ALA 78 N -3.29 2.36 0.01 3.45 0.00 -1.08 -2.98 121.76 120.23 1oo6 s ALA 78 Ca 0.01 0.58 -0.25 0.00 0.00 0.00 0.00 51.96 52.30 1oo6 s ALA 78 Cb 0.09 -3.34 -0.19 0.00 0.00 0.00 0.00 23.12 19.67 1oo6 s ALA 78 CO 0.77 -1.46 1.37 1.03 0.00 0.00 0.00 175.76 177.46 1oo6 h SER 79 N -0.17 -0.03 -4.31 0.00 0.87 -1.72 -3.45 113.55 104.73 1oo6 h SER 79 Ca -0.47 -0.35 -0.48 0.00 -1.23 0.00 0.00 61.79 59.26 1oo6 h SER 79 Cb 1.25 0.01 -0.25 0.00 -0.44 0.00 0.00 62.40 62.98 1oo6 h SER 79 CO 0.53 0.34 -0.81 -1.00 -0.53 0.00 0.00 176.83 175.36 1oo6 s HIS 80 N -4.71 1.41 -0.11 2.24 3.76 -0.55 -4.56 115.29 112.76 1oo6 s HIS 80 Ca -0.15 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1oo6 s HIS 80 Cb 0.03 -0.83 0.03 0.00 1.11 0.00 0.00 32.58 32.92 1oo6 s HIS 80 CO 0.66 0.06 -0.04 0.08 -0.85 0.00 0.00 174.74 174.65 1oo6 s VAL 81 N -0.89 0.82 -0.24 -0.90 1.01 0.46 0.74 120.40 121.39 1oo6 s VAL 81 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1oo6 s VAL 81 Cb -0.08 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1oo6 s VAL 81 CO 0.02 0.28 0.14 -0.69 0.00 0.00 0.00 175.10 174.85 1oo6 s VAL 82 N 1.79 5.20 -0.32 2.92 1.01 -0.09 -0.73 120.40 130.18 1oo6 s VAL 82 Ca 0.04 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1oo6 s VAL 82 Cb -0.13 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1oo6 s VAL 82 CO -0.07 0.35 0.18 -0.69 0.00 0.00 0.00 175.10 174.86 1oo6 s VAL 83 N 1.12 4.75 -0.12 2.92 1.01 0.23 0.35 120.40 130.65 1oo6 s VAL 83 Ca 0.07 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1oo6 s VAL 83 Cb -0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1oo6 s VAL 83 CO 0.05 0.03 0.58 -0.36 0.00 0.00 0.00 175.10 175.40 1oo6 s PHE 84 N 1.63 3.50 0.06 5.22 0.40 0.53 -1.66 117.98 127.66 1oo6 s PHE 84 Ca 0.05 1.01 0.06 0.00 -0.60 0.00 0.00 56.93 57.44 1oo6 s PHE 84 Cb -0.17 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 1oo6 s PHE 84 CO 0.07 0.06 -0.16 0.00 0.70 0.00 0.00 175.22 175.89 1oo6 s ALA 86 N -1.04 2.96 0.60 0.00 0.00 -0.53 -1.07 121.76 122.67 1oo6 s ALA 86 Ca 0.02 -1.36 -0.18 0.00 0.00 0.00 0.00 51.96 50.43 1oo6 s ALA 86 Cb -0.09 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1oo6 s ALA 86 CO 0.02 0.55 1.18 0.15 0.00 0.00 0.00 175.76 177.66 1oo6 s LYS 87 N -2.54 2.99 0.24 0.00 1.02 -0.75 -1.60 119.74 119.11 1oo6 s LYS 87 Ca 0.23 1.73 0.23 0.00 0.02 0.00 0.00 55.97 58.18 1oo6 s LYS 87 Cb -0.10 -1.94 0.16 0.00 -0.52 0.00 0.00 37.83 35.42 1oo6 s LYS 87 CO 0.15 -1.17 1.24 1.79 -0.92 0.00 0.00 175.35 176.44 1oo6 h THR 88 N 0.81 0.00 -2.19 2.17 1.35 -1.76 -3.45 112.91 109.83 1oo6 h THR 88 Ca -0.50 -0.90 -0.06 0.00 -0.55 0.00 0.00 66.41 64.41 1oo6 h THR 88 Cb 1.28 1.54 -0.22 0.00 -1.73 0.00 0.00 68.15 69.02 1oo6 h THR 88 CO 0.55 0.00 0.02 0.00 -0.25 0.00 0.00 175.52 175.84 1oo6 s ALA 89 N -3.29 -1.59 -0.54 6.62 0.00 -1.26 -4.69 121.76 117.01 1oo6 s ALA 89 Ca 0.03 1.85 -0.25 0.00 0.00 0.00 0.00 51.96 53.59 1oo6 s ALA 89 Cb 0.09 -1.08 0.04 0.00 0.00 0.00 0.00 23.12 22.17 1oo6 s ALA 89 CO 0.75 -0.31 0.97 1.41 0.00 0.00 0.00 175.76 178.58 1oo6 s MET 90 N 0.49 3.38 0.11 0.00 1.75 -1.26 -5.02 119.30 118.75 1oo6 s MET 90 Ca -0.01 -0.14 -0.03 0.00 -1.25 0.00 0.00 55.69 54.25 1oo6 s MET 90 Cb -0.05 -4.03 -0.05 0.00 2.84 0.00 0.00 34.83 33.54 1oo6 s MET 90 CO -0.01 -1.47 0.32 0.16 -0.65 0.00 0.00 175.02 173.36 1oo6 s ASP 91 N 2.78 6.45 0.39 1.11 1.47 -1.26 -5.01 116.67 122.60 1oo6 s ASP 91 Ca 0.33 0.49 0.06 0.00 1.18 0.00 0.00 52.55 54.61 1oo6 s ASP 91 Cb -0.12 -2.05 0.80 0.00 -0.34 0.00 0.00 42.92 41.21 1oo6 s ASP 91 CO 0.21 0.09 2.03 0.44 0.68 0.00 0.00 175.17 178.62 1oo6 h ASP 92 N 2.93 0.50 -0.72 2.11 3.32 -1.99 -2.33 116.42 120.24 1oo6 h ASP 92 Ca -0.46 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1oo6 h ASP 92 Cb 1.16 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1oo6 h ASP 92 CO 0.74 0.39 0.35 1.62 -1.72 0.00 0.00 179.24 180.62 1oo6 h VAL 93 N 0.57 1.23 -0.10 -1.35 3.04 -1.99 -0.50 116.25 117.16 1oo6 h VAL 93 Ca 0.15 -0.65 -0.18 0.00 -1.01 0.00 0.00 66.70 65.01 1oo6 h VAL 93 Cb -0.00 0.29 -0.00 0.00 -2.01 0.00 0.00 31.29 29.56 1oo6 h VAL 93 CO -0.03 0.28 -0.70 -0.25 -1.01 0.00 0.00 177.57 175.86 1oo6 h TRP 94 N 1.04 0.60 -0.68 3.17 7.01 -1.85 -1.60 115.95 123.64 1oo6 h TRP 94 Ca 0.26 -0.25 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1oo6 h TRP 94 Cb 0.10 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1oo6 h TRP 94 CO 0.01 1.01 0.28 -0.07 -2.79 0.00 0.00 178.44 176.88 1oo6 h LEU 95 N 0.31 0.92 -0.69 0.65 3.38 -0.95 -0.93 115.31 118.00 1oo6 h LEU 95 Ca -0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1oo6 h LEU 95 Cb 1.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1oo6 h LEU 95 CO 0.12 0.83 0.09 0.50 0.09 0.00 0.00 178.44 180.08 1oo6 h LYS 96 N 0.95 1.10 -0.70 1.13 3.64 -0.95 -2.52 116.57 119.23 1oo6 h LYS 96 Ca 0.23 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1oo6 h LYS 96 Cb 0.19 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1oo6 h LYS 96 CO -0.02 1.02 0.36 1.25 -2.27 0.00 0.00 179.45 179.79 1oo6 h LEU 97 N 1.03 0.88 -0.46 5.20 5.85 -0.61 -0.34 115.31 126.86 1oo6 h LEU 97 Ca 0.20 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1oo6 h LEU 97 Cb 0.46 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1oo6 h LEU 97 CO 0.02 0.72 -0.19 0.58 -0.34 0.00 0.00 178.44 179.23 1oo6 h VAL 98 N 0.98 1.27 -0.17 1.05 2.07 -0.85 -2.39 116.25 118.21 1oo6 h VAL 98 Ca 0.25 -1.34 -0.21 0.00 0.82 0.00 0.00 66.70 66.22 1oo6 h VAL 98 Cb 0.06 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1oo6 h VAL 98 CO -0.04 0.46 -0.71 0.58 0.02 0.00 0.00 177.57 177.88 1oo6 h VAL 99 N 0.77 1.29 -0.67 2.57 2.07 -1.09 -2.64 116.25 118.55 1oo6 h VAL 99 Ca 0.11 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.67 1oo6 h VAL 99 Cb 0.76 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 1oo6 h VAL 99 CO 0.06 0.61 0.29 0.44 0.02 0.00 0.00 177.57 178.98 1oo6 h ASP 100 N 0.51 0.88 -0.41 0.57 3.32 -1.09 -0.51 116.42 119.69 1oo6 h ASP 100 Ca -0.04 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1oo6 h ASP 100 Cb 1.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 1oo6 h ASP 100 CO 0.15 0.77 -0.11 -0.61 -1.72 0.00 0.00 179.24 177.72 1oo6 h GLN 101 N 0.95 0.87 -0.15 3.56 5.75 -1.39 -0.58 115.11 124.12 1oo6 h GLN 101 Ca 0.23 -0.30 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 1oo6 h GLN 101 Cb 0.15 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1oo6 h GLN 101 CO -0.02 0.93 -0.47 0.93 -2.65 0.00 0.00 178.83 177.55 1oo6 h GLU 102 N 0.78 0.38 -0.36 1.69 5.08 -1.05 -2.36 114.58 118.74 1oo6 h GLU 102 Ca 0.13 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1oo6 h GLU 102 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1oo6 h GLU 102 CO 0.04 0.77 -0.11 0.22 -1.00 0.00 0.00 179.01 178.93 1oo6 h ASP 103 N 0.30 0.73 0.90 1.42 -0.00 -0.73 -2.38 116.42 116.65 1oo6 h ASP 103 Ca 0.02 -0.38 -0.02 0.00 -0.00 0.00 0.00 57.03 56.66 1oo6 h ASP 103 Cb 0.94 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 40.07 1oo6 h ASP 103 CO 0.08 0.94 -0.08 0.00 -0.00 0.00 0.00 179.24 180.18 1oo6 h ALA 104 N 0.81 1.03 -0.05 -0.78 0.00 -1.03 -2.25 119.26 117.00 1oo6 h ALA 104 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1oo6 h ALA 104 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1oo6 h ALA 104 CO 0.04 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 1oo6 n ASP 105 N -3.23 0.98 -0.83 0.00 10.43 -0.90 -4.92 116.55 118.08 1oo6 n ASP 105 Ca 0.00 -1.42 -0.05 0.00 2.57 0.00 0.00 54.79 55.89 1oo6 n ASP 105 Cb 0.33 -0.02 0.01 0.00 1.84 0.00 0.00 41.12 43.27 1oo6 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1oo6 n GLY 106 N 1.07 0.40 0.03 0.44 0.00 -0.85 -4.96 105.19 101.32 1oo6 n GLY 106 Ca 0.19 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1oo6 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oo6 n ARG 107 N -1.45 0.18 -4.03 1.61 1.74 -0.92 -4.81 116.66 108.97 1oo6 n ARG 107 Ca -0.03 0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1oo6 n ARG 107 Cb 0.53 -1.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 1oo6 n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1oo6 s PHE 108 N -3.12 2.91 -0.03 -1.55 0.08 -1.26 -4.99 117.98 110.01 1oo6 s PHE 108 Ca 0.07 -1.50 0.14 0.00 0.12 0.00 0.00 56.93 55.76 1oo6 s PHE 108 Cb 0.15 -1.99 0.15 0.00 -0.57 0.00 0.00 43.02 40.76 1oo6 s PHE 108 CO 0.75 -0.74 1.48 0.00 -0.10 0.00 0.00 175.22 176.62 1oo6 h ALA 109 N 7.99 0.69 -2.31 5.36 0.00 -1.98 -3.47 119.26 125.54 1oo6 h ALA 109 Ca -0.41 -0.51 -0.27 0.00 0.00 0.00 0.00 54.91 53.72 1oo6 h ALA 109 Cb 1.13 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1oo6 h ALA 109 CO 0.61 0.70 -0.66 0.95 0.00 0.00 0.00 179.25 180.85 1oo6 s THR 110 N -3.06 0.57 0.06 0.00 -4.23 -1.26 -5.03 115.64 102.67 1oo6 s THR 110 Ca 0.03 -1.97 0.24 0.00 -1.18 0.00 0.00 61.69 58.81 1oo6 s THR 110 Cb 0.09 -2.12 0.24 0.00 1.34 0.00 0.00 72.50 72.05 1oo6 s THR 110 CO 0.75 -0.46 1.79 -0.65 -0.54 0.00 0.00 174.62 175.50 1oo6 h PRO 111 N 2.72 0.00 -0.20 3.99 0.11 -2.01 -2.81 132.00 133.81 1oo6 h PRO 111 Ca -0.36 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.62 1oo6 h PRO 111 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1oo6 h PRO 111 CO 0.62 0.21 -0.42 0.93 -0.21 0.00 0.00 178.00 179.13 1oo6 h GLU 112 N 0.00 0.46 -0.17 1.05 5.08 -1.99 -2.13 114.58 116.89 1oo6 h GLU 112 Ca -0.00 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1oo6 h GLU 112 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1oo6 h GLU 112 CO 0.03 0.80 -0.01 0.00 -1.00 0.00 0.00 179.01 178.82 1oo6 h ALA 113 N 1.17 0.23 -0.38 3.43 0.00 -1.91 -1.35 119.26 120.44 1oo6 h ALA 113 Ca 0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1oo6 h ALA 113 Cb 0.89 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1oo6 h ALA 113 CO 0.08 -0.04 0.17 -0.22 0.00 0.00 0.00 179.25 179.23 1oo6 h LYS 114 N 0.04 0.34 -0.73 0.00 3.64 -1.43 -1.60 116.57 116.82 1oo6 h LYS 114 Ca 0.05 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1oo6 h LYS 114 Cb 0.42 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1oo6 h LYS 114 CO 0.01 0.23 0.48 0.00 -2.27 0.00 0.00 179.45 177.90 1oo6 h ALA 115 N 1.22 1.52 0.00 5.00 0.00 -1.27 -0.98 119.26 124.74 1oo6 h ALA 115 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1oo6 h ALA 115 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1oo6 h ALA 115 CO -0.14 0.43 -0.20 0.00 0.00 0.00 0.00 179.25 179.35 1oo6 h ALA 116 N 1.56 1.05 0.09 0.00 0.00 -0.34 -1.91 119.26 119.71 1oo6 h ALA 116 Ca 0.28 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1oo6 h ALA 116 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1oo6 h ALA 116 CO -0.07 0.25 -1.37 -0.97 0.00 0.00 0.00 179.25 177.08 1oo6 h ASN 117 N 0.00 0.30 -0.35 0.00 -1.24 -0.38 -2.67 115.58 111.24 1oo6 h ASN 117 Ca -0.00 -0.38 -0.05 0.00 0.71 0.00 0.00 56.30 56.58 1oo6 h ASN 117 Cb 0.68 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1oo6 h ASN 117 CO 0.03 1.31 0.04 -0.78 -1.29 0.00 0.00 177.43 176.74 1oo6 h ASP 118 N 0.05 0.56 -0.00 1.15 3.58 -1.04 -2.22 116.42 118.50 1oo6 h ASP 118 Ca -0.18 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1oo6 h ASP 118 Cb 1.96 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.86 1oo6 h ASP 118 CO 0.16 0.70 0.00 0.50 -2.88 0.00 0.00 179.24 177.72 1oo6 h LYS 119 N 0.41 0.00 -0.54 0.28 3.11 -1.42 0.12 116.57 118.53 1oo6 h LYS 119 Ca 0.10 -0.00 0.07 0.00 -2.81 0.00 0.00 60.65 58.02 1oo6 h LYS 119 Cb 0.38 -0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.55 1oo6 h LYS 119 CO 0.01 0.01 0.21 0.78 -2.81 0.00 0.00 179.45 177.65 1oo6 h GLY 120 N -0.00 0.74 1.55 5.01 0.00 -1.36 -0.32 103.07 108.69 1oo6 h GLY 120 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1oo6 h GLY 120 CO -0.00 0.02 -0.55 -0.09 0.00 0.00 0.00 176.54 175.92 1oo6 h ARG 121 N 0.40 0.47 -0.16 4.80 2.43 -1.25 -3.05 114.38 118.02 1oo6 h ARG 121 Ca 0.26 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1oo6 h ARG 121 Cb 0.27 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1oo6 h ARG 121 CO -0.25 0.89 0.10 -0.22 -1.51 0.00 0.00 179.97 178.99 1oo6 h LYS 122 N 0.36 0.22 -0.47 0.20 1.63 0.10 0.18 116.57 118.80 1oo6 h LYS 122 Ca 0.01 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1oo6 h LYS 122 Cb 1.07 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.62 1oo6 h LYS 122 CO 0.10 0.18 0.26 0.35 -3.45 0.00 0.00 179.45 176.89 1oo6 h PHE 123 N 0.20 0.49 -0.15 1.91 3.57 -1.10 0.15 116.94 122.01 1oo6 h PHE 123 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1oo6 h PHE 123 Cb 0.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1oo6 h PHE 123 CO -0.05 0.27 0.04 0.74 -2.23 0.00 0.00 178.31 177.07 1oo6 h PHE 124 N 0.52 0.24 -0.62 0.41 0.05 -1.39 0.04 116.94 116.18 1oo6 h PHE 124 Ca 0.19 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.94 1oo6 h PHE 124 Cb 0.05 -0.07 -0.03 0.00 2.00 0.00 0.00 35.95 37.90 1oo6 h PHE 124 CO -0.08 0.36 0.33 0.00 -0.18 0.00 0.00 178.31 178.74 1oo6 h ALA 125 N 0.85 1.42 -0.15 2.45 0.00 -0.34 -2.67 119.26 120.82 1oo6 h ALA 125 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1oo6 h ALA 125 Cb 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1oo6 h ALA 125 CO -0.00 0.47 -0.28 -0.44 0.00 0.00 0.00 179.25 179.00 1oo6 h ASP 126 N 0.86 0.51 -0.93 0.00 3.45 -0.51 -2.34 116.42 117.46 1oo6 h ASP 126 Ca 0.22 -0.55 0.22 0.00 0.43 0.00 0.00 57.03 57.35 1oo6 h ASP 126 Cb 0.03 -0.15 -0.07 0.00 -0.56 0.00 0.00 39.33 38.59 1oo6 h ASP 126 CO -0.03 0.96 0.62 -0.03 -1.57 0.00 0.00 179.24 179.18 1oo6 h MET 127 N 0.08 0.36 0.09 3.56 4.05 -0.65 0.16 114.93 122.59 1oo6 h MET 127 Ca 0.01 -0.02 -0.33 0.00 -0.28 0.00 0.00 59.70 59.07 1oo6 h MET 127 Cb 0.87 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 1oo6 h MET 127 CO 0.06 0.24 -1.82 0.45 0.23 0.00 0.00 176.91 176.07 1oo6 h HIS 128 N 0.37 0.35 0.00 1.39 3.86 -1.48 -0.97 115.15 118.67 1oo6 h HIS 128 Ca 0.49 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1oo6 h HIS 128 Cb 1.27 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1oo6 h HIS 128 CO -0.00 1.49 -1.18 2.89 0.86 0.00 0.00 177.93 181.98 1oo6 n ARG 129 N -3.35 0.50 -0.04 2.45 1.85 -0.88 -0.15 116.66 117.04 1oo6 n ARG 129 Ca -0.25 0.02 -0.04 0.00 -1.00 0.00 0.00 57.85 56.59 1oo6 n ARG 129 Cb 1.05 -1.69 -0.05 0.00 -1.05 0.00 0.00 32.46 30.72 1oo6 n ARG 129 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1oo6 n LYS 130 N -2.35 2.40 -0.10 2.89 5.02 0.52 -4.58 118.16 121.96 1oo6 n LYS 130 Ca -0.00 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.08 1oo6 n LYS 130 Cb 0.51 -1.18 -0.07 0.00 -0.02 0.00 0.00 35.03 34.27 1oo6 n LYS 130 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1oo6 n ASP 131 N -2.34 1.45 0.12 4.39 10.43 -1.20 -4.69 116.55 124.70 1oo6 n ASP 131 Ca -0.12 0.25 0.09 0.00 2.57 0.00 0.00 54.79 57.58 1oo6 n ASP 131 Cb 0.71 -0.60 0.03 0.00 1.84 0.00 0.00 41.12 43.10 1oo6 n ASP 131 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1oo6 h LEU 132 N -0.73 0.00 -1.55 0.64 3.38 -1.35 -3.49 115.31 112.22 1oo6 h LEU 132 Ca -0.52 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.03 1oo6 h LEU 132 Cb 1.46 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.27 1oo6 h LEU 132 CO -0.31 0.15 -0.80 1.41 0.09 0.00 0.00 178.44 178.97 1oo6 n HIS 133 N -2.87 -2.09 -2.68 1.13 8.25 -0.61 -4.92 115.22 111.43 1oo6 n HIS 133 Ca -0.00 0.88 -0.01 0.00 -0.26 0.00 0.00 57.72 58.32 1oo6 n HIS 133 Cb 0.61 -4.47 0.05 0.00 1.12 0.00 0.00 29.99 27.30 1oo6 n HIS 133 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1oo6 n ASP 134 N -3.02 1.79 -0.11 0.41 5.75 0.79 -4.92 116.55 117.25 1oo6 n ASP 134 Ca -0.21 -2.22 -0.04 0.00 -0.01 0.00 0.00 54.79 52.30 1oo6 n ASP 134 Cb 0.64 -0.44 0.17 0.00 -1.03 0.00 0.00 41.12 40.46 1oo6 n ASP 134 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1oo6 h ASP 135 N 2.26 0.75 -0.36 -1.12 2.03 -1.82 -0.08 116.42 118.08 1oo6 h ASP 135 Ca -0.10 -0.18 -0.05 0.00 -0.73 0.00 0.00 57.03 55.97 1oo6 h ASP 135 Cb 1.40 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1oo6 h ASP 135 CO 0.22 0.81 0.02 0.00 -1.03 0.00 0.00 179.24 179.26 1oo6 h ALA 136 N 1.28 0.49 -0.32 4.15 0.00 -1.90 -1.44 119.26 121.51 1oo6 h ALA 136 Ca 0.15 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1oo6 h ALA 136 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1oo6 h ALA 136 CO 0.02 0.23 -0.30 0.93 0.00 0.00 0.00 179.25 180.13 1oo6 h GLU 137 N 0.45 0.68 -0.37 0.00 4.39 -1.92 -1.15 114.58 116.67 1oo6 h GLU 137 Ca 0.11 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1oo6 h GLU 137 Cb 0.42 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1oo6 h GLU 137 CO 0.01 0.90 0.17 2.35 -1.16 0.00 0.00 179.01 181.28 1oo6 h TRP 138 N 0.58 0.54 -0.23 4.33 7.01 -0.80 -1.87 115.95 125.52 1oo6 h TRP 138 Ca 0.07 -0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.94 1oo6 h TRP 138 Cb 0.80 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1oo6 h TRP 138 CO 0.04 0.47 -0.29 0.52 -2.79 0.00 0.00 178.44 176.39 1oo6 h MET 139 N 0.45 0.45 -0.30 2.65 2.86 -1.13 -2.72 114.93 117.20 1oo6 h MET 139 Ca 0.12 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1oo6 h MET 139 Cb 0.14 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1oo6 h MET 139 CO -0.01 0.70 -0.14 0.00 1.06 0.00 0.00 176.91 178.52 1oo6 h ALA 140 N 1.30 1.21 -0.68 6.32 0.00 -0.88 -2.61 119.26 123.91 1oo6 h ALA 140 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1oo6 h ALA 140 Cb 0.71 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1oo6 h ALA 140 CO 0.05 0.51 0.40 0.87 0.00 0.00 0.00 179.25 181.08 1oo6 h LYS 141 N 0.48 0.94 -0.39 0.00 1.57 -1.03 -1.42 116.57 116.72 1oo6 h LYS 141 Ca 0.09 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1oo6 h LYS 141 Cb 0.52 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1oo6 h LYS 141 CO 0.03 0.68 0.04 1.96 -0.57 0.00 0.00 179.45 181.59 1oo6 h GLN 142 N 0.93 0.59 -0.25 3.15 1.08 -1.36 -1.28 115.11 117.98 1oo6 h GLN 142 Ca 0.24 -0.12 -0.13 0.00 -1.45 0.00 0.00 58.65 57.20 1oo6 h GLN 142 Cb -0.00 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1oo6 h GLN 142 CO -0.04 0.59 -0.37 0.28 -0.95 0.00 0.00 178.83 178.33 1oo6 h VAL 143 N 0.57 1.29 -0.21 -0.54 2.07 -1.07 -1.76 116.25 116.61 1oo6 h VAL 143 Ca 0.13 -1.51 -0.13 0.00 0.82 0.00 0.00 66.70 66.00 1oo6 h VAL 143 Cb 0.30 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1oo6 h VAL 143 CO 0.01 0.48 -0.42 1.88 0.02 0.00 0.00 177.57 179.54 1oo6 h TYR 144 N 0.46 0.58 -0.67 1.57 -1.99 -0.62 -0.83 116.97 115.48 1oo6 h TYR 144 Ca 0.05 -0.17 -0.07 0.00 2.00 0.00 0.00 58.73 60.53 1oo6 h TYR 144 Cb 0.86 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.44 1oo6 h TYR 144 CO 0.03 0.83 0.13 1.25 -0.00 0.00 0.00 178.16 180.40 1oo6 h LEU 145 N 0.40 1.04 -0.53 3.88 6.46 -1.00 -1.48 115.31 124.08 1oo6 h LEU 145 Ca 0.03 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1oo6 h LEU 145 Cb 0.90 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 1oo6 h LEU 145 CO 0.08 1.02 0.32 -1.13 -0.62 0.00 0.00 178.44 178.11 1oo6 h ASN 146 N 1.03 0.64 -0.62 1.25 -0.00 -0.86 -1.86 115.58 115.16 1oo6 h ASN 146 Ca 0.21 -0.06 0.01 0.00 -0.00 0.00 0.00 56.30 56.46 1oo6 h ASN 146 Cb 0.41 -0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 38.53 1oo6 h ASN 146 CO 0.01 0.52 0.40 0.58 -0.00 0.00 0.00 177.43 178.93 1oo6 h VAL 147 N 0.72 1.13 -0.33 2.57 2.07 -0.46 0.12 116.25 122.06 1oo6 h VAL 147 Ca 0.19 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1oo6 h VAL 147 Cb -0.01 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1oo6 h VAL 147 CO -0.04 0.15 0.18 1.23 0.02 0.00 0.00 177.57 179.11 1oo6 h GLY 148 N 0.80 0.45 0.90 2.17 0.00 -0.91 0.13 103.07 106.62 1oo6 h GLY 148 Ca 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1oo6 h GLY 148 CO -0.07 0.11 0.05 -0.57 0.00 0.00 0.00 176.54 176.06 1oo6 h ASN 149 N 0.37 0.06 -0.63 0.19 -1.24 -0.81 -2.93 115.58 110.58 1oo6 h ASN 149 Ca 0.13 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.18 1oo6 h ASN 149 Cb 0.02 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 1oo6 h ASN 149 CO -0.08 0.05 0.39 0.15 -1.29 0.00 0.00 177.43 176.66 1oo6 h PHE 150 N 0.11 0.74 -0.25 0.67 3.57 -0.22 -1.03 116.94 120.53 1oo6 h PHE 150 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1oo6 h PHE 150 Cb 0.03 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1oo6 h PHE 150 CO -0.10 0.43 0.11 -0.07 -2.23 0.00 0.00 178.31 176.44 1oo6 h LEU 151 N 0.78 0.33 -0.67 0.59 3.38 -0.63 -0.85 115.31 118.24 1oo6 h LEU 151 Ca 0.25 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1oo6 h LEU 151 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1oo6 h LEU 151 CO -0.10 0.39 -0.38 0.25 0.09 0.00 0.00 178.44 178.70 1oo6 h LEU 152 N 0.26 0.64 0.13 1.67 5.85 -1.47 -2.62 115.31 119.77 1oo6 h LEU 152 Ca 0.08 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1oo6 h LEU 152 Cb 0.15 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1oo6 h LEU 152 CO -0.01 0.95 -0.06 1.23 -0.34 0.00 0.00 178.44 180.21 1oo6 h GLY 153 N 1.03 -0.19 1.87 3.75 0.00 -0.90 -0.03 103.07 108.60 1oo6 h GLY 153 Ca 0.05 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 1oo6 h GLY 153 CO 0.08 -0.07 -0.31 -0.39 0.00 0.00 0.00 176.54 175.84 1oo6 h VAL 154 N -0.20 1.26 -0.44 4.60 -1.51 -1.18 -2.28 116.25 116.50 1oo6 h VAL 154 Ca -0.02 -1.21 -0.09 0.00 -1.23 0.00 0.00 66.70 64.15 1oo6 h VAL 154 Cb 0.15 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 1oo6 h VAL 154 CO 0.03 0.36 -0.10 0.00 -1.23 0.00 0.00 177.57 176.63 1oo6 h ALA 155 N 1.55 1.00 0.00 5.19 0.00 -1.10 -0.16 119.26 125.74 1oo6 h ALA 155 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1oo6 h ALA 155 Cb 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1oo6 h ALA 155 CO 0.05 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1oo6 h ALA 156 N 1.18 1.00 -0.01 0.00 0.00 -0.45 -1.89 119.26 119.09 1oo6 h ALA 156 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1oo6 h ALA 156 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1oo6 h ALA 156 CO 0.04 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.56 1oo6 n LEU 157 N -2.65 1.41 0.00 0.00 4.77 -0.70 -4.90 117.00 114.93 1oo6 n LEU 157 Ca 0.02 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1oo6 n LEU 157 Cb 0.30 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1oo6 n LEU 157 CO 0.25 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1oo6 n GLY 158 N 1.17 0.58 3.89 -0.72 0.00 -0.71 -5.06 105.19 104.34 1oo6 n GLY 158 Ca 0.19 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1oo6 n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oo6 s LEU 159 N 0.00 4.20 0.13 0.99 1.02 -0.16 -5.02 118.68 119.85 1oo6 s LEU 159 Ca 0.00 0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.34 1oo6 s LEU 159 Cb 0.00 -2.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.36 1oo6 s LEU 159 CO 0.00 0.14 0.21 -1.81 0.02 0.00 0.00 176.35 174.91 1oo6 s ASP 160 N -2.65 6.03 0.23 2.29 -0.00 -0.13 -3.73 116.67 118.70 1oo6 s ASP 160 Ca 0.33 0.08 -0.21 0.00 -0.00 0.00 0.00 52.55 52.75 1oo6 s ASP 160 Cb -0.12 -1.74 0.07 0.00 -0.00 0.00 0.00 42.92 41.12 1oo6 s ASP 160 CO 0.26 0.09 0.96 0.00 -0.00 0.00 0.00 175.17 176.48 1oo6 s ALA 161 N -1.67 -1.41 -0.26 5.23 0.00 -1.26 -1.00 121.76 121.40 1oo6 s ALA 161 Ca 0.33 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 1oo6 s ALA 161 Cb -0.11 0.72 0.09 0.00 0.00 0.00 0.00 23.12 23.82 1oo6 s ALA 161 CO 0.26 -1.04 0.60 0.54 0.00 0.00 0.00 175.76 176.12 1oo6 s VAL 162 N -2.50 -0.36 0.10 0.00 0.11 -1.17 -1.25 120.40 115.33 1oo6 s VAL 162 Ca 0.18 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.97 1oo6 s VAL 162 Cb -0.03 -0.90 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 1oo6 s VAL 162 CO 0.06 0.01 0.93 -2.16 -3.33 0.00 0.00 175.10 170.61 1oo6 s PRO 163 N 2.07 4.66 -0.10 1.54 0.04 -1.26 -3.51 135.00 138.44 1oo6 s PRO 163 Ca -0.08 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.37 1oo6 s PRO 163 Cb -0.08 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1oo6 s PRO 163 CO -0.18 0.23 -0.16 0.42 0.04 0.00 0.00 177.00 177.34 1oo6 s ILE 164 N -0.01 1.56 -0.22 0.56 1.01 0.36 -4.94 121.20 119.53 1oo6 s ILE 164 Ca 0.45 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.50 1oo6 s ILE 164 Cb -0.23 -1.41 -0.12 0.00 0.01 0.00 0.00 42.46 40.71 1oo6 s ILE 164 CO 0.29 0.45 0.29 -0.62 0.00 0.00 0.00 174.94 175.35 1oo6 n GLU 165 N 4.03 2.13 -2.64 2.79 1.02 -1.26 -2.01 120.64 124.70 1oo6 n GLU 165 Ca -0.20 -0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.47 1oo6 n GLU 165 Cb 0.52 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1oo6 n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oo6 n GLY 166 N 1.60 2.94 3.48 0.62 0.00 -1.26 -4.88 105.19 107.69 1oo6 n GLY 166 Ca -0.00 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 1oo6 n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1oo6 s PHE 167 N 3.36 -0.48 -0.62 1.61 -0.12 -1.26 -4.78 117.98 115.69 1oo6 s PHE 167 Ca 0.50 0.25 -0.22 0.00 -0.05 0.00 0.00 56.93 57.41 1oo6 s PHE 167 Cb 0.03 0.57 0.07 0.00 -0.63 0.00 0.00 43.02 43.06 1oo6 s PHE 167 CO 0.05 -0.86 0.90 0.34 -0.05 0.00 0.00 175.22 175.60 1oo6 s ASP 168 N -2.74 6.21 0.38 1.98 -1.08 0.16 -4.91 116.67 116.67 1oo6 s ASP 168 Ca 0.03 -0.92 0.05 0.00 -0.52 0.00 0.00 52.55 51.19 1oo6 s ASP 168 Cb -0.02 -2.39 0.74 0.00 -1.46 0.00 0.00 42.92 39.79 1oo6 s ASP 168 CO -0.10 -1.31 2.00 0.00 0.52 0.00 0.00 175.17 176.28 1oo6 h ALA 169 N 9.42 1.58 -0.26 3.66 0.00 -1.89 -0.99 119.26 130.78 1oo6 h ALA 169 Ca -0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1oo6 h ALA 169 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1oo6 h ALA 169 CO 1.13 0.35 0.06 0.00 0.00 0.00 0.00 179.25 180.80 1oo6 h ALA 170 N 1.64 0.34 -0.64 0.00 0.00 -1.94 0.97 119.26 119.65 1oo6 h ALA 170 Ca 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1oo6 h ALA 170 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1oo6 h ALA 170 CO -0.02 0.00 0.13 0.82 0.00 0.00 0.00 179.25 180.18 1oo6 h ILE 171 N 0.25 1.25 -0.16 0.00 2.04 -1.85 -1.68 117.51 117.36 1oo6 h ILE 171 Ca 0.08 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 1oo6 h ILE 171 Cb 0.29 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1oo6 h ILE 171 CO 0.00 0.36 -0.16 0.25 0.00 0.00 0.00 178.15 178.60 1oo6 h LEU 172 N 0.96 0.42 -0.84 1.44 7.12 -1.00 -1.44 115.31 121.97 1oo6 h LEU 172 Ca 0.20 -0.48 0.03 0.00 0.13 0.00 0.00 57.88 57.75 1oo6 h LEU 172 Cb 0.37 -0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 40.34 1oo6 h LEU 172 CO 0.00 0.82 0.55 0.44 -0.13 0.00 0.00 178.44 180.12 1oo6 h ASP 173 N 0.03 0.91 -0.28 1.25 5.19 -0.67 -2.21 116.42 120.64 1oo6 h ASP 173 Ca 0.02 -0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.28 1oo6 h ASP 173 Cb 0.70 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1oo6 h ASP 173 CO 0.04 0.64 -0.37 0.00 -3.12 0.00 0.00 179.24 176.43 1oo6 h ALA 174 N 1.34 0.68 -0.74 3.45 0.00 -1.28 0.17 119.26 122.89 1oo6 h ALA 174 Ca 0.33 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1oo6 h ALA 174 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1oo6 h ALA 174 CO -0.10 0.67 0.33 1.49 0.00 0.00 0.00 179.25 181.64 1oo6 h GLU 175 N 0.68 1.06 -0.46 0.00 4.57 -0.84 -2.88 114.58 116.72 1oo6 h GLU 175 Ca 0.06 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1oo6 h GLU 175 Cb 0.94 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1oo6 h GLU 175 CO 0.09 0.83 0.00 1.19 -1.18 0.00 0.00 179.01 179.94 1oo6 n PHE 176 N -4.31 0.61 -3.96 0.92 3.72 -0.87 -4.99 117.46 108.59 1oo6 n PHE 176 Ca 0.07 -0.40 -0.30 0.00 -0.05 0.00 0.00 57.45 56.77 1oo6 n PHE 176 Cb 0.15 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1oo6 n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oo6 n GLY 177 N 1.14 -0.42 0.15 1.37 0.00 0.36 -4.89 105.19 102.90 1oo6 n GLY 177 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1oo6 n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oo6 h LEU 178 N -1.90 0.00 -0.44 0.99 3.38 -1.18 -3.21 115.31 112.94 1oo6 h LEU 178 Ca -0.59 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.43 1oo6 h LEU 178 Cb 1.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 1oo6 h LEU 178 CO 0.67 0.54 0.16 0.11 0.09 0.00 0.00 178.44 180.01 1oo6 h LYS 179 N 0.00 0.32 -0.17 1.13 1.57 -1.72 0.40 116.57 118.09 1oo6 h LYS 179 Ca -0.01 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1oo6 h LYS 179 Cb 1.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1oo6 h LYS 179 CO 0.07 0.21 -0.63 1.05 -0.57 0.00 0.00 179.45 179.58 1oo6 h GLU 180 N 0.32 0.61 0.00 3.15 9.09 -1.89 -2.90 114.58 122.97 1oo6 h GLU 180 Ca 0.21 -0.43 0.00 0.00 0.05 0.00 0.00 59.36 59.19 1oo6 h GLU 180 Cb 0.20 0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1oo6 h GLU 180 CO -0.21 1.05 0.00 0.87 0.05 0.00 0.00 179.01 180.76 1oo6 h LYS 181 N 0.45 0.00 -0.08 1.06 1.57 -1.48 -3.46 116.57 114.63 1oo6 h LYS 181 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1oo6 h LYS 181 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1oo6 h LYS 181 CO 0.12 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 1oo6 n GLY 182 N 0.10 1.41 3.14 3.86 0.00 -0.20 -5.06 105.19 108.43 1oo6 n GLY 182 Ca 0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1oo6 n GLY 182 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oo6 s TYR 183 N -2.08 0.78 -0.00 1.61 1.51 0.12 -2.14 117.35 117.16 1oo6 s TYR 183 Ca 0.00 -1.10 0.01 0.00 -1.01 0.00 0.00 57.07 54.97 1oo6 s TYR 183 Cb 0.00 -0.48 -0.00 0.00 -0.11 0.00 0.00 41.96 41.37 1oo6 s TYR 183 CO 0.00 -0.38 -0.05 0.99 -1.11 0.00 0.00 175.55 175.01 1oo6 s THR 184 N -3.89 0.38 0.09 -0.71 2.01 -0.63 -3.26 115.64 109.62 1oo6 s THR 184 Ca 0.16 -0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.69 1oo6 s THR 184 Cb 0.07 -0.32 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 1oo6 s THR 184 CO -0.03 0.11 0.81 -0.94 -0.69 0.00 0.00 174.62 173.88 1oo6 s SER 185 N -0.11 7.32 -0.03 3.53 1.04 -1.26 -1.45 113.70 122.74 1oo6 s SER 185 Ca 0.02 1.57 -0.01 0.00 0.48 0.00 0.00 55.95 58.01 1oo6 s SER 185 Cb -0.02 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1oo6 s SER 185 CO -0.00 0.04 -0.04 0.18 0.98 0.00 0.00 173.24 174.40 1oo6 n LEU 186 N 2.53 0.64 -3.87 2.42 4.77 -0.41 -4.86 117.00 118.22 1oo6 n LEU 186 Ca -0.02 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1oo6 n LEU 186 Cb 0.50 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.35 1oo6 n LEU 186 CO 0.48 0.14 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.61 1oo6 s VAL 187 N -2.06 0.12 -0.14 4.08 1.01 -1.18 -4.81 120.40 117.42 1oo6 s VAL 187 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1oo6 s VAL 187 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 1oo6 s VAL 187 CO 0.06 0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 174.47 1oo6 s VAL 188 N 0.25 3.76 -0.31 2.92 1.01 -0.85 -0.35 120.40 126.84 1oo6 s VAL 188 Ca -0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1oo6 s VAL 188 Cb -0.04 -2.62 0.10 0.00 0.00 0.00 0.00 36.38 33.81 1oo6 s VAL 188 CO -0.01 0.52 0.09 -0.69 0.00 0.00 0.00 175.10 175.00 1oo6 s VAL 189 N 0.16 1.06 0.24 2.92 1.01 0.15 -0.48 120.40 125.46 1oo6 s VAL 189 Ca -0.02 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 1oo6 s VAL 189 Cb -0.14 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1oo6 s VAL 189 CO 0.03 -0.64 1.07 -2.84 0.00 0.00 0.00 175.10 172.72 1oo6 s PRO 190 N 1.53 4.67 -0.02 2.72 0.02 -1.23 -0.91 135.00 141.77 1oo6 s PRO 190 Ca 0.09 1.72 0.03 0.00 0.02 0.00 0.00 61.00 62.86 1oo6 s PRO 190 Cb -0.17 -3.23 -0.00 0.00 0.02 0.00 0.00 34.50 31.11 1oo6 s PRO 190 CO -0.22 0.23 -0.10 0.14 -0.33 0.00 0.00 177.00 176.71 1oo6 s VAL 191 N -0.88 0.84 0.00 3.83 -7.23 0.23 -3.02 120.40 114.17 1oo6 s VAL 191 Ca 0.45 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1oo6 s VAL 191 Cb -0.30 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1oo6 s VAL 191 CO 0.37 0.25 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 1oo6 n GLY 192 N 3.03 -0.35 2.87 2.32 0.00 -0.17 -1.48 105.19 111.41 1oo6 n GLY 192 Ca -0.16 0.35 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 1oo6 n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oo6 s HIS 193 N 0.00 0.53 0.72 1.61 3.76 -1.26 -0.95 115.29 119.70 1oo6 s HIS 193 Ca 0.00 -0.11 -0.13 0.00 -0.15 0.00 0.00 55.06 54.67 1oo6 s HIS 193 Cb 0.00 -0.51 0.03 0.00 1.11 0.00 0.00 32.58 33.21 1oo6 s HIS 193 CO 0.00 -0.14 1.12 -3.38 -0.85 0.00 0.00 174.74 171.49 1oo6 s HIS 194 N 0.80 2.44 0.47 1.40 -0.00 -1.26 -0.84 115.29 118.31 1oo6 s HIS 194 Ca -0.09 1.58 0.07 0.00 -0.00 0.00 0.00 55.06 56.62 1oo6 s HIS 194 Cb -0.13 -3.20 0.01 0.00 -0.00 0.00 0.00 32.58 29.26 1oo6 s HIS 194 CO -0.01 -1.95 0.43 -1.54 -0.00 0.00 0.00 174.74 171.68 1oo6 s SER 195 N -2.71 4.93 0.63 7.38 1.04 -0.20 -4.37 113.70 120.40 1oo6 s SER 195 Ca 0.67 -0.90 0.37 0.00 0.48 0.00 0.00 55.95 56.56 1oo6 s SER 195 Cb -0.21 -0.20 2.08 0.00 0.10 0.00 0.00 66.02 67.79 1oo6 s SER 195 CO 0.47 -0.85 2.28 0.58 0.98 0.00 0.00 173.24 176.70 1oo6 h VAL 196 N 0.86 0.26 0.00 5.02 2.07 -1.96 -1.25 116.25 121.25 1oo6 h VAL 196 Ca -0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1oo6 h VAL 196 Cb 1.28 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1oo6 h VAL 196 CO 0.56 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.53 1oo6 n GLU 197 N -3.45 0.28 -2.38 1.57 -0.58 -1.26 -4.60 120.64 110.22 1oo6 n GLU 197 Ca -0.03 0.02 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1oo6 n GLU 197 Cb 0.11 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1oo6 n GLU 197 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1oo6 s ASP 198 N -2.70 6.08 0.65 1.62 3.68 -0.47 -4.73 116.67 120.78 1oo6 s ASP 198 Ca 0.22 -1.74 0.40 0.00 2.13 0.00 0.00 52.55 53.56 1oo6 s ASP 198 Cb 0.19 -2.58 2.25 0.00 -1.45 0.00 0.00 42.92 41.33 1oo6 s ASP 198 CO 0.45 -1.94 2.33 2.19 0.13 0.00 0.00 175.17 178.33 1oo6 h PHE 199 N 9.20 0.00 0.00 -5.34 -5.15 -1.88 -1.35 116.94 112.42 1oo6 h PHE 199 Ca 0.28 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.05 1oo6 h PHE 199 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.11 1oo6 h PHE 199 CO 1.31 0.00 0.00 -0.97 -2.00 0.00 0.00 178.31 176.65 1oo6 h ASN 200 N 0.00 0.00 0.56 -0.68 -1.24 -1.88 -3.21 115.58 109.13 1oo6 h ASN 200 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1oo6 h ASN 200 Cb 0.03 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1oo6 h ASN 200 CO -0.00 0.00 -0.21 0.00 -1.29 0.00 0.00 177.43 175.93 1oo6 h ALA 201 N 2.15 1.20 -0.01 1.57 0.00 -1.55 -3.14 119.26 119.47 1oo6 h ALA 201 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1oo6 h ALA 201 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1oo6 h ALA 201 CO 0.00 0.26 -0.35 0.25 0.00 0.00 0.00 179.25 179.41 1oo6 n THR 202 N -3.63 0.00 -3.02 0.00 -2.24 -1.21 -4.99 114.28 99.19 1oo6 n THR 202 Ca -0.01 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.11 1oo6 n THR 202 Cb 0.34 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.70 1oo6 n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1oo6 s LEU 203 N -2.08 4.06 0.48 3.22 1.43 -1.19 -5.05 118.68 119.56 1oo6 s LEU 203 Ca 0.14 1.45 -0.21 0.00 -1.03 0.00 0.00 54.13 54.47 1oo6 s LEU 203 Cb 0.13 -4.19 -0.07 0.00 0.03 0.00 0.00 46.19 42.09 1oo6 s LEU 203 CO 0.42 -0.23 1.11 -2.16 0.23 0.00 0.00 176.35 175.72 1oo6 s PRO 204 N -2.92 3.71 0.37 1.29 0.04 -1.26 -5.01 135.00 131.21 1oo6 s PRO 204 Ca 0.56 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.95 1oo6 s PRO 204 Cb -0.11 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1oo6 s PRO 204 CO 0.17 -0.55 1.00 0.21 0.04 0.00 0.00 177.00 177.87 1oo6 s LYS 205 N -2.96 4.35 -0.07 4.56 2.20 -1.26 -5.05 119.74 121.51 1oo6 s LYS 205 Ca 0.66 1.42 0.02 0.00 -0.36 0.00 0.00 55.97 57.71 1oo6 s LYS 205 Cb -0.24 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1oo6 s LYS 205 CO 0.28 0.04 -0.09 0.45 -0.36 0.00 0.00 175.35 175.67 1oo6 s SER 206 N -1.60 1.60 0.05 1.43 0.15 -1.26 -5.13 113.70 108.93 1oo6 s SER 206 Ca 0.55 -0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.91 1oo6 s SER 206 Cb -0.20 -0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 63.37 1oo6 s SER 206 CO 0.26 -0.01 0.06 -0.13 1.20 0.00 0.00 173.24 174.61 1oo6 s ARG 207 N 0.88 0.62 0.45 5.44 1.81 -1.26 -5.15 118.95 121.73 1oo6 s ARG 207 Ca -0.11 -0.93 -0.23 0.00 -1.72 0.00 0.00 55.73 52.74 1oo6 s ARG 207 Cb -0.15 0.23 -0.08 0.00 -0.45 0.00 0.00 34.95 34.51 1oo6 s ARG 207 CO 0.01 -0.15 1.14 -0.51 -0.68 0.00 0.00 175.30 175.11 1oo6 s LEU 208 N -2.46 4.02 0.67 2.53 1.02 -1.26 -4.99 118.68 118.22 1oo6 s LEU 208 Ca -0.00 2.24 -0.17 0.00 0.02 0.00 0.00 54.13 56.22 1oo6 s LEU 208 Cb 0.02 -4.25 0.01 0.00 0.02 0.00 0.00 46.19 41.99 1oo6 s LEU 208 CO -0.07 -0.84 1.21 -2.16 0.02 0.00 0.00 176.35 174.51 1oo6 s PRO 209 N -2.69 2.51 0.53 1.29 0.04 -1.26 -4.88 135.00 130.54 1oo6 s PRO 209 Ca 0.63 1.80 0.30 0.00 0.04 0.00 0.00 61.00 63.77 1oo6 s PRO 209 Cb -0.27 -1.87 1.44 0.00 0.04 0.00 0.00 34.50 33.84 1oo6 s PRO 209 CO 0.33 -1.56 2.04 1.96 0.04 0.00 0.00 177.00 179.80 1oo6 h GLN 210 N 0.23 0.00 0.00 4.56 4.20 -1.94 -2.66 115.11 119.49 1oo6 h GLN 210 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1oo6 h GLN 210 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1oo6 h GLN 210 CO 0.52 0.11 0.00 -2.95 -0.67 0.00 0.00 178.83 175.84 1oo6 h ASN 211 N 0.00 0.00 0.01 1.46 7.08 -1.91 0.26 115.58 122.47 1oo6 h ASN 211 Ca -0.00 0.00 -0.39 0.00 -3.08 0.00 0.00 56.30 52.83 1oo6 h ASN 211 Cb 0.41 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.59 1oo6 h ASN 211 CO 0.01 0.00 -2.15 -0.38 -2.08 0.00 0.00 177.43 172.83 1oo6 n ILE 212 N -2.79 1.54 0.41 6.14 5.41 -1.02 -4.65 119.36 124.41 1oo6 n ILE 212 Ca -0.00 -0.31 0.12 0.00 1.00 0.00 0.00 62.75 63.55 1oo6 n ILE 212 Cb 0.20 -1.88 0.11 0.00 -0.71 0.00 0.00 39.64 37.36 1oo6 n ILE 212 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1oo6 h THR 213 N -0.85 0.00 -4.29 1.39 1.35 -1.46 -3.47 112.91 105.57 1oo6 h THR 213 Ca -0.58 -0.66 -0.64 0.00 -0.55 0.00 0.00 66.41 63.97 1oo6 h THR 213 Cb 1.58 1.22 -0.30 0.00 -1.73 0.00 0.00 68.15 68.91 1oo6 h THR 213 CO -0.31 0.00 -0.87 -0.22 -0.25 0.00 0.00 175.52 173.87 1oo6 s LEU 214 N -4.64 2.03 -0.11 3.87 0.20 0.89 -5.06 118.68 115.87 1oo6 s LEU 214 Ca 0.04 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.45 1oo6 s LEU 214 Cb 0.12 -1.19 0.02 0.00 -0.43 0.00 0.00 46.19 44.70 1oo6 s LEU 214 CO 0.74 0.25 -0.14 -0.89 -0.29 0.00 0.00 176.35 176.02 1oo6 s THR 215 N -0.35 1.45 -0.26 3.68 2.01 -1.26 -4.60 115.64 116.31 1oo6 s THR 215 Ca 0.04 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 1oo6 s THR 215 Cb -0.10 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1oo6 s THR 215 CO 0.01 0.43 0.09 -1.61 -0.69 0.00 0.00 174.62 172.85 1oo6 s GLU 216 N 1.05 3.63 0.00 4.92 2.02 -1.26 -5.24 118.70 123.82 1oo6 s GLU 216 Ca -0.06 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1oo6 s GLU 216 Cb -0.15 -3.38 0.01 0.00 0.10 0.00 0.00 34.13 30.72 1oo6 s GLU 216 CO -0.02 -0.22 0.54 1.33 0.02 0.00 0.00 175.26 176.91