#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aa4 s THR 2 N 0.00 4.18 -0.18 3.17 2.01 -1.26 -4.06 115.64 119.50 2aa4 s THR 2 Ca 0.00 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 2aa4 s THR 2 Cb 0.00 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2aa4 s THR 2 CO 0.00 0.60 0.05 -0.89 -0.69 0.00 0.00 174.62 173.69 2aa4 s THR 3 N -0.80 4.72 -0.87 -0.82 2.01 -0.28 -1.26 115.64 118.34 2aa4 s THR 3 Ca 0.12 -0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 2aa4 s THR 3 Cb -0.11 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.31 2aa4 s THR 3 CO 0.02 0.47 1.40 -0.22 -0.69 0.00 0.00 174.62 175.61 2aa4 s LEU 4 N 0.30 3.32 0.10 4.42 2.96 0.43 -0.90 118.68 129.32 2aa4 s LEU 4 Ca 0.03 -0.89 -0.26 0.00 -0.22 0.00 0.00 54.13 52.79 2aa4 s LEU 4 Cb -0.12 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.94 2aa4 s LEU 4 CO 0.00 -1.74 0.80 0.00 -1.32 0.00 0.00 176.35 174.09 2aa4 s ALA 5 N 5.67 3.38 0.00 5.97 0.00 -0.16 -1.65 121.76 134.98 2aa4 s ALA 5 Ca 0.43 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.79 2aa4 s ALA 5 Cb -0.04 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2aa4 s ALA 5 CO 0.03 0.14 -0.15 0.42 0.00 0.00 0.00 175.76 176.19 2aa4 s ILE 6 N -0.46 1.22 -0.20 0.00 1.01 0.75 -0.95 121.20 122.58 2aa4 s ILE 6 Ca 0.39 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2aa4 s ILE 6 Cb -0.22 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.26 2aa4 s ILE 6 CO 0.25 0.27 -0.10 -0.62 0.00 0.00 0.00 174.94 174.74 2aa4 s ASP 7 N -0.55 3.35 -0.30 3.58 -1.08 0.89 0.00 116.67 122.56 2aa4 s ASP 7 Ca 0.05 -0.87 -0.09 0.00 -0.52 0.00 0.00 52.55 51.12 2aa4 s ASP 7 Cb -0.06 -1.21 -0.02 0.00 -1.46 0.00 0.00 42.92 40.17 2aa4 s ASP 7 CO -0.00 -0.15 0.14 -0.63 0.52 0.00 0.00 175.17 175.06 2aa4 s ILE 8 N 1.41 4.67 0.03 4.11 1.01 0.27 -1.09 121.20 131.62 2aa4 s ILE 8 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2aa4 s ILE 8 Cb -0.16 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2aa4 s ILE 8 CO -0.08 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2aa4 n GLY 9 N 4.99 4.14 0.18 6.18 0.00 -1.06 -1.75 105.19 117.86 2aa4 n GLY 9 Ca -0.14 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.50 2aa4 n GLY 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aa4 h GLY 10 N 0.08 0.64 0.00 -0.02 0.00 -1.98 -3.40 103.07 98.39 2aa4 h GLY 10 Ca -0.03 -1.07 -0.46 0.00 0.00 0.00 0.00 47.33 45.78 2aa4 h GLY 10 CO 0.04 0.94 -2.54 -1.30 0.00 0.00 0.00 176.54 173.69 2aa4 n THR 11 N -3.82 1.52 -4.81 4.70 -2.24 -1.26 -4.70 114.28 103.67 2aa4 n THR 11 Ca -0.08 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.03 2aa4 n THR 11 Cb 0.83 -1.81 -0.15 0.00 -2.10 0.00 0.00 70.33 67.10 2aa4 n THR 11 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2aa4 s LYS 12 N -2.51 1.46 -0.26 -0.78 -2.85 -1.26 0.30 119.74 113.84 2aa4 s LYS 12 Ca -0.38 -0.75 -0.10 0.00 -1.00 0.00 0.00 55.97 53.74 2aa4 s LYS 12 Cb 0.14 -1.45 -0.04 0.00 -2.06 0.00 0.00 37.83 34.41 2aa4 s LYS 12 CO 0.50 0.39 0.15 -0.51 0.10 0.00 0.00 175.35 175.98 2aa4 s LEU 13 N -0.67 3.86 0.15 2.77 1.43 0.29 -2.56 118.68 123.95 2aa4 s LEU 13 Ca 0.07 -0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 2aa4 s LEU 13 Cb -0.08 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2aa4 s LEU 13 CO 0.00 -0.02 -0.24 0.00 0.23 0.00 0.00 176.35 176.33 2aa4 s ALA 14 N 1.54 2.28 -0.08 4.21 0.00 -0.25 -0.25 121.76 129.22 2aa4 s ALA 14 Ca 0.07 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.37 2aa4 s ALA 14 Cb -0.15 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.69 2aa4 s ALA 14 CO 0.08 0.43 0.39 0.00 0.00 0.00 0.00 175.76 176.66 2aa4 s ALA 15 N -1.41 -0.99 0.18 0.00 0.00 -1.05 -0.08 121.76 118.42 2aa4 s ALA 15 Ca 0.15 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2aa4 s ALA 15 Cb -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2aa4 s ALA 15 CO 0.07 -0.24 0.37 0.00 0.00 0.00 0.00 175.76 175.96 2aa4 s ALA 16 N -0.66 -0.31 -0.22 0.00 0.00 -0.12 -0.54 121.76 119.91 2aa4 s ALA 16 Ca -0.08 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2aa4 s ALA 16 Cb -0.04 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 2aa4 s ALA 16 CO 0.03 -0.71 0.13 -0.51 0.00 0.00 0.00 175.76 174.70 2aa4 s LEU 17 N -2.94 4.06 -0.17 0.00 1.43 0.09 -0.98 118.68 120.16 2aa4 s LEU 17 Ca 0.15 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2aa4 s LEU 17 Cb 0.02 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.22 2aa4 s LEU 17 CO -0.00 0.11 0.01 -0.63 0.23 0.00 0.00 176.35 176.07 2aa4 s ILE 18 N 0.77 0.68 0.00 -0.59 1.01 -0.08 -0.88 121.20 122.11 2aa4 s ILE 18 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2aa4 s ILE 18 Cb -0.13 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2aa4 s ILE 18 CO 0.02 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.51 2aa4 n GLY 19 N 5.01 0.02 0.22 6.18 0.00 -1.26 -1.13 105.19 114.23 2aa4 n GLY 19 Ca -0.09 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.21 2aa4 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa4 h ALA 20 N -1.36 1.19 0.00 4.61 0.00 -1.96 -2.69 119.26 119.04 2aa4 h ALA 20 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2aa4 h ALA 20 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2aa4 h ALA 20 CO 0.00 0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.17 2aa4 n ASP 21 N -3.67 0.39 0.00 0.00 5.75 -1.26 -4.90 116.55 112.87 2aa4 n ASP 21 Ca -0.01 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.34 2aa4 n ASP 21 Cb 0.37 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2aa4 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aa4 n GLY 22 N 0.48 0.52 3.68 6.12 0.00 -1.01 -5.02 105.19 109.95 2aa4 n GLY 22 Ca 0.04 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2aa4 n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aa4 s GLN 23 N -0.50 4.37 -0.50 1.61 -1.52 -1.26 -4.96 119.66 116.90 2aa4 s GLN 23 Ca 0.00 1.34 -0.28 0.00 -1.95 0.00 0.00 55.36 54.47 2aa4 s GLN 23 Cb 0.00 -3.57 0.02 0.00 -0.22 0.00 0.00 33.01 29.24 2aa4 s GLN 23 CO 0.00 -0.39 1.31 0.42 -0.25 0.00 0.00 175.29 176.38 2aa4 s ILE 24 N 2.30 3.97 0.03 1.08 1.01 -1.26 -4.10 121.20 124.22 2aa4 s ILE 24 Ca 0.46 0.93 0.06 0.00 0.00 0.00 0.00 60.65 62.10 2aa4 s ILE 24 Cb -0.17 -4.46 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 2aa4 s ILE 24 CO 0.15 -1.03 -0.16 -0.13 0.00 0.00 0.00 174.94 173.76 2aa4 s ARG 25 N 4.97 2.18 -1.31 2.79 0.52 -0.06 -4.74 118.95 123.31 2aa4 s ARG 25 Ca 0.53 -0.92 -0.06 0.00 -0.52 0.00 0.00 55.73 54.76 2aa4 s ARG 25 Cb -0.10 -2.25 0.01 0.00 0.52 0.00 0.00 34.95 33.13 2aa4 s ARG 25 CO 0.29 0.56 1.10 -0.25 0.02 0.00 0.00 175.30 177.02 2aa4 n ASP 26 N 1.63 -4.73 -4.71 0.23 8.00 -1.26 -0.73 116.55 114.97 2aa4 n ASP 26 Ca -0.16 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 2aa4 n ASP 26 Cb 0.52 -5.00 -0.03 0.00 -0.02 0.00 0.00 41.12 36.60 2aa4 n ASP 26 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2aa4 s ARG 27 N -6.00 4.22 0.39 -1.24 3.52 -1.26 -4.47 118.95 114.12 2aa4 s ARG 27 Ca 0.38 2.33 0.05 0.00 -0.13 0.00 0.00 55.73 58.37 2aa4 s ARG 27 Cb -0.17 -3.22 -0.07 0.00 -1.56 0.00 0.00 34.95 29.93 2aa4 s ARG 27 CO 0.74 -0.61 0.03 1.03 -0.81 0.00 0.00 175.30 175.67 2aa4 s ARG 28 N 1.34 1.88 -0.07 5.12 0.52 0.30 -5.01 118.95 123.04 2aa4 s ARG 28 Ca 0.70 -2.08 -0.25 0.00 -0.52 0.00 0.00 55.73 53.59 2aa4 s ARG 28 Cb -0.43 -1.36 0.05 0.00 0.52 0.00 0.00 34.95 33.74 2aa4 s ARG 28 CO 0.31 -0.13 0.56 -2.00 0.02 0.00 0.00 175.30 174.06 2aa4 s GLU 29 N -3.78 0.88 -0.00 3.54 2.12 -1.26 -2.52 118.70 117.68 2aa4 s GLU 29 Ca 0.33 0.24 -0.11 0.00 0.36 0.00 0.00 54.97 55.79 2aa4 s GLU 29 Cb 0.09 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.90 2aa4 s GLU 29 CO 0.16 -0.24 0.22 -0.51 -0.54 0.00 0.00 175.26 174.35 2aa4 s LEU 30 N -0.95 1.21 0.34 2.70 1.43 0.65 -5.00 118.68 119.06 2aa4 s LEU 30 Ca -0.10 -0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 2aa4 s LEU 30 Cb -0.02 0.97 -0.09 0.00 0.03 0.00 0.00 46.19 47.07 2aa4 s LEU 30 CO 0.07 -0.41 1.07 -2.84 0.23 0.00 0.00 176.35 174.46 2aa4 s PRO 31 N -1.38 4.41 0.15 1.29 0.02 -1.26 0.10 135.00 138.32 2aa4 s PRO 31 Ca -0.14 1.64 -0.31 0.00 0.02 0.00 0.00 61.00 62.21 2aa4 s PRO 31 Cb -0.06 -2.87 -0.09 0.00 0.02 0.00 0.00 34.50 31.50 2aa4 s PRO 31 CO 0.03 0.05 1.50 0.99 -0.33 0.00 0.00 177.00 179.23 2aa4 s THR 32 N -1.41 2.89 0.23 0.99 2.01 0.15 -4.70 115.64 115.79 2aa4 s THR 32 Ca 0.51 0.64 -0.32 0.00 0.31 0.00 0.00 61.69 62.84 2aa4 s THR 32 Cb -0.27 -3.41 -0.13 0.00 0.01 0.00 0.00 72.50 68.70 2aa4 s THR 32 CO 0.34 0.05 1.42 -2.65 -0.69 0.00 0.00 174.62 173.09 2aa4 n PRO 33 N 3.93 2.02 -0.15 4.92 -0.02 -1.26 -4.93 135.00 139.52 2aa4 n PRO 33 Ca 0.13 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.21 2aa4 n PRO 33 Cb 0.40 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2aa4 n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aa4 h ALA 34 N 4.39 0.67 -1.56 3.55 0.00 -1.98 -3.39 119.26 120.94 2aa4 h ALA 34 Ca -0.45 -0.41 -0.54 0.00 0.00 0.00 0.00 54.91 53.51 2aa4 h ALA 34 Cb 1.27 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2aa4 h ALA 34 CO 0.77 0.68 1.11 -1.54 0.00 0.00 0.00 179.25 180.27 2aa4 s SER 35 N -6.76 6.09 -1.41 0.00 1.04 -1.26 -4.91 113.70 106.50 2aa4 s SER 35 Ca -0.11 0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 2aa4 s SER 35 Cb 0.12 -2.55 -0.09 0.00 0.10 0.00 0.00 66.02 63.60 2aa4 s SER 35 CO 0.87 -1.76 2.86 0.00 0.98 0.00 0.00 173.24 176.20 2aa4 n GLN 36 N 8.75 3.33 -3.95 4.02 6.02 -1.26 -4.71 117.38 129.58 2aa4 n GLN 36 Ca 0.12 -2.00 -0.29 0.00 -0.01 0.00 0.00 57.00 54.82 2aa4 n GLN 36 Cb 0.49 -2.69 -0.04 0.00 1.02 0.00 0.00 30.24 29.02 2aa4 n GLN 36 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2aa4 s THR 37 N 2.30 5.22 0.37 5.09 -4.23 -1.26 -1.61 115.64 121.52 2aa4 s THR 37 Ca 0.65 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 2aa4 s THR 37 Cb 0.18 -3.59 0.23 0.00 1.34 0.00 0.00 72.50 70.65 2aa4 s THR 37 CO -0.05 0.06 1.98 -0.65 -0.54 0.00 0.00 174.62 175.42 2aa4 h PRO 38 N 2.81 0.60 -0.62 3.99 0.11 -1.90 -2.38 132.00 134.61 2aa4 h PRO 38 Ca -0.46 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 2aa4 h PRO 38 Cb 1.17 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2aa4 h PRO 38 CO 0.72 0.47 0.15 0.93 -0.21 0.00 0.00 178.00 180.06 2aa4 h GLU 39 N 0.61 0.99 -0.15 1.05 3.07 -1.96 -1.24 114.58 116.95 2aa4 h GLU 39 Ca 0.15 -0.24 -0.19 0.00 -0.50 0.00 0.00 59.36 58.59 2aa4 h GLU 39 Cb 0.06 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2aa4 h GLU 39 CO -0.02 0.90 -0.66 0.00 -1.40 0.00 0.00 179.01 177.82 2aa4 h ALA 40 N 1.05 0.55 -0.41 3.43 0.00 -1.83 -1.92 119.26 120.14 2aa4 h ALA 40 Ca 0.19 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 2aa4 h ALA 40 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2aa4 h ALA 40 CO 0.00 0.71 -0.35 1.25 0.00 0.00 0.00 179.25 180.87 2aa4 h LEU 41 N 0.42 1.02 -0.63 0.00 5.85 -1.42 -1.60 115.31 118.94 2aa4 h LEU 41 Ca -0.02 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.30 2aa4 h LEU 41 Cb 1.24 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 2aa4 h LEU 41 CO 0.13 1.25 0.35 -0.09 -0.34 0.00 0.00 178.44 179.74 2aa4 h ARG 42 N 0.79 0.65 -0.36 1.25 2.43 -1.14 0.06 114.38 118.05 2aa4 h ARG 42 Ca 0.07 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2aa4 h ARG 42 Cb 0.94 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2aa4 h ARG 42 CO 0.09 0.43 0.06 -0.44 -1.51 0.00 0.00 179.97 178.60 2aa4 h ASP 43 N 0.66 0.57 0.43 -3.80 3.32 -1.28 -0.65 116.42 115.67 2aa4 h ASP 43 Ca 0.28 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2aa4 h ASP 43 Cb 0.15 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2aa4 h ASP 43 CO -0.16 0.68 -0.47 0.00 -1.72 0.00 0.00 179.24 177.57 2aa4 h ALA 44 N 0.91 1.19 -0.01 3.45 0.00 -1.03 -1.27 119.26 122.49 2aa4 h ALA 44 Ca 0.11 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 2aa4 h ALA 44 Cb 0.35 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2aa4 h ALA 44 CO 0.01 0.59 -0.68 -0.07 0.00 0.00 0.00 179.25 179.10 2aa4 h LEU 45 N 0.04 0.62 -0.39 0.00 3.38 -0.95 -2.80 115.31 115.21 2aa4 h LEU 45 Ca -0.00 -0.74 0.05 0.00 0.09 0.00 0.00 57.88 57.28 2aa4 h LEU 45 Cb 0.84 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2aa4 h LEU 45 CO 0.06 1.28 0.12 -1.28 0.09 0.00 0.00 178.44 178.71 2aa4 h SER 46 N 0.02 0.10 -0.63 -0.43 0.87 -0.94 -2.10 113.55 110.44 2aa4 h SER 46 Ca -0.08 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 2aa4 h SER 46 Cb 1.37 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.35 2aa4 h SER 46 CO 0.13 0.09 0.16 0.00 -0.53 0.00 0.00 176.83 176.69 2aa4 h ALA 47 N 1.27 1.05 -0.66 6.23 0.00 -1.34 -2.39 119.26 123.41 2aa4 h ALA 47 Ca 0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2aa4 h ALA 47 Cb 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2aa4 h ALA 47 CO -0.20 0.63 0.15 1.25 0.00 0.00 0.00 179.25 181.08 2aa4 h LEU 48 N 0.98 1.02 -0.19 0.00 5.85 -1.14 -3.32 115.31 118.50 2aa4 h LEU 48 Ca 0.21 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2aa4 h LEU 48 Cb 0.35 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2aa4 h LEU 48 CO 0.00 0.99 -0.78 1.33 -0.34 0.00 0.00 178.44 179.64 2aa4 n VAL 49 N -4.28 0.00 -0.24 1.05 0.24 -0.84 -4.56 118.33 109.70 2aa4 n VAL 49 Ca 0.04 -0.11 0.01 0.00 -2.04 0.00 0.00 64.34 62.24 2aa4 n VAL 49 Cb 0.26 1.05 0.24 0.00 -1.47 0.00 0.00 33.84 33.91 2aa4 n VAL 49 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2aa4 h SER 50 N 0.43 0.89 0.86 -1.34 4.64 -1.53 0.93 113.55 118.43 2aa4 h SER 50 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2aa4 h SER 50 Cb 0.48 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2aa4 h SER 50 CO 0.00 0.63 0.00 -2.65 -0.87 0.00 0.00 176.83 173.94 2aa4 n PRO 51 N -4.43 0.14 -0.04 4.77 -0.02 -1.26 -3.99 135.00 130.17 2aa4 n PRO 51 Ca 0.09 0.29 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2aa4 n PRO 51 Cb 0.06 -1.73 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 2aa4 n PRO 51 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aa4 n LEU 52 N -1.99 0.00 0.26 2.45 4.77 -0.55 -4.72 117.00 117.22 2aa4 n LEU 52 Ca 0.04 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.14 2aa4 n LEU 52 Cb 0.27 0.21 0.72 0.00 -2.33 0.00 0.00 43.42 42.29 2aa4 n LEU 52 CO 0.21 0.21 0.97 0.06 -1.33 0.00 0.00 177.39 177.52 2aa4 h GLN 53 N 0.00 0.00 0.00 3.23 3.07 -0.99 -1.21 115.11 119.21 2aa4 h GLN 53 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 2aa4 h GLN 53 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.97 2aa4 h GLN 53 CO 0.01 0.12 0.00 0.00 0.09 0.00 0.00 178.83 179.05 2aa4 n ALA 54 N -2.28 2.34 -0.88 0.06 0.00 -1.26 -3.38 120.51 115.12 2aa4 n ALA 54 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.37 2aa4 n ALA 54 Cb 0.24 -1.43 0.17 0.00 0.00 0.00 0.00 19.45 18.43 2aa4 n ALA 54 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2aa4 n HIS 55 N -1.25 0.34 -4.18 0.00 8.25 -0.46 -5.02 115.22 112.91 2aa4 n HIS 55 Ca 0.14 -0.88 -0.15 0.00 -0.26 0.00 0.00 57.72 56.57 2aa4 n HIS 55 Cb 0.19 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.01 2aa4 n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aa4 s ALA 56 N -2.56 1.13 -0.05 -1.41 0.00 -1.22 -4.78 121.76 112.88 2aa4 s ALA 56 Ca 0.32 -1.18 0.19 0.00 0.00 0.00 0.00 51.96 51.28 2aa4 s ALA 56 Cb 0.26 0.02 -0.28 0.00 0.00 0.00 0.00 23.12 23.12 2aa4 s ALA 56 CO 0.05 -0.02 0.36 1.04 0.00 0.00 0.00 175.76 177.20 2aa4 n GLN 57 N 0.59 0.65 -3.70 0.00 3.00 -0.39 -4.98 117.38 112.55 2aa4 n GLN 57 Ca -0.16 -0.15 -0.13 0.00 -0.01 0.00 0.00 57.00 56.55 2aa4 n GLN 57 Cb 0.57 -1.45 -0.07 0.00 0.00 0.00 0.00 30.24 29.29 2aa4 n GLN 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2aa4 s ARG 58 N -3.19 0.84 -0.08 -1.09 1.70 -1.20 -4.27 118.95 111.66 2aa4 s ARG 58 Ca -0.07 -0.31 -0.00 0.00 -0.47 0.00 0.00 55.73 54.88 2aa4 s ARG 58 Cb 0.11 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2aa4 s ARG 58 CO 0.78 -0.27 -0.06 0.08 -1.08 0.00 0.00 175.30 174.75 2aa4 s VAL 59 N -2.12 3.79 -0.05 4.99 1.01 0.45 -0.43 120.40 128.04 2aa4 s VAL 59 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2aa4 s VAL 59 Cb -0.02 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.81 2aa4 s VAL 59 CO -0.00 0.58 -0.03 0.00 0.00 0.00 0.00 175.10 175.65 2aa4 s ALA 60 N -0.64 0.69 -0.20 5.51 0.00 -0.66 -1.75 121.76 124.71 2aa4 s ALA 60 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 2aa4 s ALA 60 Cb -0.12 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 2aa4 s ALA 60 CO 0.02 -0.16 -0.09 0.42 0.00 0.00 0.00 175.76 175.94 2aa4 s ILE 61 N 1.26 2.98 -0.18 0.00 1.01 -0.26 -0.18 121.20 125.82 2aa4 s ILE 61 Ca -0.06 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 2aa4 s ILE 61 Cb -0.14 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 2aa4 s ILE 61 CO -0.02 0.46 0.53 0.00 0.00 0.00 0.00 174.94 175.91 2aa4 s ALA 62 N 1.37 3.53 0.03 9.38 0.00 0.10 -0.71 121.76 135.47 2aa4 s ALA 62 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2aa4 s ALA 62 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 2aa4 s ALA 62 CO -0.06 -0.38 -0.10 0.45 0.00 0.00 0.00 175.76 175.67 2aa4 s SER 63 N 1.07 1.18 0.71 0.00 0.15 0.13 -0.56 113.70 116.37 2aa4 s SER 63 Ca 0.25 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.36 2aa4 s SER 63 Cb -0.15 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.13 2aa4 s SER 63 CO 0.10 -0.04 1.10 0.28 1.20 0.00 0.00 173.24 175.88 2aa4 s THR 64 N -0.86 3.35 0.00 6.45 -1.32 -0.72 0.13 115.64 122.66 2aa4 s THR 64 Ca -0.02 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 2aa4 s THR 64 Cb -0.07 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 2aa4 s THR 64 CO 0.01 -0.48 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 2aa4 n GLY 65 N -0.93 -0.38 3.24 6.08 0.00 -1.26 -4.88 105.19 107.06 2aa4 n GLY 65 Ca 0.10 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2aa4 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aa4 s ILE 66 N 0.00 2.03 -0.38 -0.61 1.01 0.14 -4.74 121.20 118.66 2aa4 s ILE 66 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 2aa4 s ILE 66 Cb 0.00 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.76 2aa4 s ILE 66 CO 0.00 0.56 0.22 -0.63 0.00 0.00 0.00 174.94 175.09 2aa4 s ILE 67 N 0.13 4.61 -0.16 2.92 -1.09 -1.26 -0.01 121.20 126.35 2aa4 s ILE 67 Ca -0.12 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.42 2aa4 s ILE 67 Cb -0.16 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 2aa4 s ILE 67 CO 0.07 -0.26 -0.17 -0.60 -1.23 0.00 0.00 174.94 172.75 2aa4 s ARG 68 N 1.56 2.59 -1.48 2.79 3.52 -0.48 -3.65 118.95 123.80 2aa4 s ARG 68 Ca 0.02 -0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 54.86 2aa4 s ARG 68 Cb -0.19 -2.30 0.06 0.00 -1.56 0.00 0.00 34.95 30.96 2aa4 s ARG 68 CO 0.07 -0.22 0.83 -0.25 -0.81 0.00 0.00 175.30 174.92 2aa4 n ASP 69 N 4.69 -3.25 -0.21 -2.12 8.00 -1.26 -1.13 116.55 121.27 2aa4 n ASP 69 Ca -0.19 -0.84 -0.03 0.00 0.71 0.00 0.00 54.79 54.45 2aa4 n ASP 69 Cb 0.50 -3.74 -0.01 0.00 -0.02 0.00 0.00 41.12 37.85 2aa4 n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aa4 n GLY 70 N -1.67 0.44 3.50 0.44 0.00 -1.26 -4.97 105.19 101.68 2aa4 n GLY 70 Ca -0.08 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2aa4 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aa4 s SER 71 N -2.18 3.82 -0.19 1.61 0.01 -0.29 -1.74 113.70 114.75 2aa4 s SER 71 Ca 0.00 -0.78 -0.23 0.00 1.31 0.00 0.00 55.95 56.25 2aa4 s SER 71 Cb 0.00 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 2aa4 s SER 71 CO 0.00 0.09 0.72 -0.22 0.41 0.00 0.00 173.24 174.25 2aa4 s LEU 72 N -2.95 4.15 0.28 2.44 2.96 -0.50 -1.38 118.68 123.69 2aa4 s LEU 72 Ca 0.25 0.98 0.04 0.00 -0.22 0.00 0.00 54.13 55.18 2aa4 s LEU 72 Cb -0.08 -3.05 -0.06 0.00 0.50 0.00 0.00 46.19 43.51 2aa4 s LEU 72 CO 0.13 -0.34 0.01 -0.76 -1.32 0.00 0.00 176.35 174.08 2aa4 s LEU 73 N 2.06 2.23 0.12 -0.68 1.02 0.99 -0.56 118.68 123.86 2aa4 s LEU 73 Ca 0.33 -1.29 -0.10 0.00 0.02 0.00 0.00 54.13 53.09 2aa4 s LEU 73 Cb -0.16 -0.39 0.00 0.00 0.02 0.00 0.00 46.19 45.67 2aa4 s LEU 73 CO 0.11 -0.52 0.27 0.00 0.02 0.00 0.00 176.35 176.22 2aa4 s ALA 74 N -3.29 -0.32 -0.81 4.21 0.00 -1.26 0.28 121.76 120.57 2aa4 s ALA 74 Ca 0.32 -0.57 0.16 0.00 0.00 0.00 0.00 51.96 51.87 2aa4 s ALA 74 Cb 0.07 0.64 0.70 0.00 0.00 0.00 0.00 23.12 24.52 2aa4 s ALA 74 CO 0.12 -0.58 1.51 1.28 0.00 0.00 0.00 175.76 178.09 2aa4 n LEU 75 N -0.14 0.22 -3.74 0.00 4.77 -1.26 -3.62 117.00 113.23 2aa4 n LEU 75 Ca -0.13 0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 56.11 2aa4 n LEU 75 Cb 0.63 -0.54 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 2aa4 n LEU 75 CO 0.22 -0.39 -0.27 0.21 -1.33 0.00 0.00 177.39 175.82 2aa4 s ASN 76 N -3.41 3.83 0.59 -1.43 3.84 -1.26 -4.60 114.94 112.50 2aa4 s ASN 76 Ca 0.05 -2.32 0.29 0.00 0.21 0.00 0.00 52.86 51.08 2aa4 s ASN 76 Cb 0.09 -1.03 1.53 0.00 -0.55 0.00 0.00 41.25 41.29 2aa4 s ASN 76 CO 0.28 -0.32 1.96 -0.65 -2.79 0.00 0.00 177.10 175.58 2aa4 h PRO 77 N 7.16 0.00 0.00 0.43 0.11 -1.97 0.13 132.00 137.86 2aa4 h PRO 77 Ca -0.05 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 2aa4 h PRO 77 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2aa4 h PRO 77 CO 0.48 0.00 -0.32 0.45 -0.21 0.00 0.00 178.00 178.41 2aa4 h HIS 78 N 0.00 0.00 0.00 0.65 3.86 -1.93 -3.19 115.15 114.54 2aa4 h HIS 78 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2aa4 h HIS 78 Cb 0.96 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.43 2aa4 h HIS 78 CO 0.00 0.32 0.00 0.09 0.86 0.00 0.00 177.93 179.20 2aa4 n ASN 79 N -3.46 0.00 0.02 2.45 3.02 0.45 -2.77 115.26 114.98 2aa4 n ASN 79 Ca 0.00 0.36 0.11 0.00 -0.03 0.00 0.00 54.58 55.02 2aa4 n ASN 79 Cb 0.49 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 2aa4 n ASN 79 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2aa4 n LEU 80 N -1.44 0.52 0.00 3.41 4.77 -1.20 -5.05 117.00 118.00 2aa4 n LEU 80 Ca 0.07 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2aa4 n LEU 80 Cb 0.23 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2aa4 n LEU 80 CO 0.19 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2aa4 n GLY 81 N 1.33 3.52 0.10 -0.72 0.00 -1.11 -1.02 105.19 107.28 2aa4 n GLY 81 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.05 2aa4 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa4 n GLY 82 N 0.00 -0.78 0.65 -0.02 0.00 -0.63 -3.58 105.19 100.83 2aa4 n GLY 82 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.97 2aa4 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aa4 n LEU 83 N -0.62 2.04 -4.72 0.99 4.77 -0.19 -4.21 117.00 115.06 2aa4 n LEU 83 Ca 0.16 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 2aa4 n LEU 83 Cb 0.12 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2aa4 n LEU 83 CO 0.12 0.34 1.25 -0.22 -1.33 0.00 0.00 177.39 177.55 2aa4 s LEU 84 N -2.02 4.37 -1.62 2.23 2.96 -1.23 -2.04 118.68 121.33 2aa4 s LEU 84 Ca 0.34 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.91 2aa4 s LEU 84 Cb 0.21 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.30 2aa4 s LEU 84 CO 0.33 -0.85 0.00 1.41 -1.32 0.00 0.00 176.35 175.92 2aa4 n HIS 85 N 3.95 -0.25 -1.68 5.38 8.25 0.27 -4.97 115.22 126.17 2aa4 n HIS 85 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 2aa4 n HIS 85 Cb 0.38 -2.98 -0.03 0.00 1.12 0.00 0.00 29.99 28.48 2aa4 n HIS 85 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2aa4 s PHE 86 N -2.67 1.78 -1.23 4.41 5.36 -0.87 -4.65 117.98 120.12 2aa4 s PHE 86 Ca 0.00 -0.22 -0.19 0.00 -0.96 0.00 0.00 56.93 55.56 2aa4 s PHE 86 Cb 0.00 -4.22 -0.01 0.00 -0.34 0.00 0.00 43.02 38.45 2aa4 s PHE 86 CO 0.00 -5.21 1.95 -0.35 -1.46 0.00 0.00 175.22 170.14 2aa4 n PRO 87 N 6.43 2.48 0.07 10.12 -0.04 -1.26 -1.41 135.00 151.39 2aa4 n PRO 87 Ca 0.19 -2.67 -0.11 0.00 -0.04 0.00 0.00 63.50 60.86 2aa4 n PRO 87 Cb 0.39 -3.38 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 2aa4 n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2aa4 h LEU 88 N 13.09 -0.49 -0.32 1.53 5.85 -1.70 0.92 115.31 134.19 2aa4 h LEU 88 Ca 0.43 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 2aa4 h LEU 88 Cb 0.78 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2aa4 h LEU 88 CO 1.62 -0.24 0.17 0.58 -0.34 0.00 0.00 178.44 180.24 2aa4 h VAL 89 N -0.30 1.14 -0.80 1.05 2.07 -1.64 -2.76 116.25 115.00 2aa4 h VAL 89 Ca 0.05 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2aa4 h VAL 89 Cb 0.35 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2aa4 h VAL 89 CO -0.14 0.14 0.42 0.50 0.02 0.00 0.00 177.57 178.50 2aa4 h LYS 90 N 0.39 1.13 0.16 1.57 3.64 -1.72 -1.14 116.57 120.61 2aa4 h LYS 90 Ca 0.11 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2aa4 h LYS 90 Cb 0.08 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2aa4 h LYS 90 CO -0.02 0.85 -0.17 1.15 -2.27 0.00 0.00 179.45 179.00 2aa4 h THR 91 N 1.12 0.62 -0.52 1.00 2.02 -0.71 -1.40 112.91 115.04 2aa4 h THR 91 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.46 2aa4 h THR 91 Cb 0.07 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2aa4 h THR 91 CO -0.04 0.00 0.33 -0.07 0.37 0.00 0.00 175.52 176.11 2aa4 h LEU 92 N -0.37 0.61 -1.03 2.58 3.38 -1.32 -0.68 115.31 118.47 2aa4 h LEU 92 Ca 0.00 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.06 2aa4 h LEU 92 Cb 0.35 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 2aa4 h LEU 92 CO -0.05 0.46 0.63 -0.33 0.09 0.00 0.00 178.44 179.24 2aa4 h GLU 93 N 0.70 0.97 -0.05 1.13 5.08 -0.93 0.12 114.58 121.60 2aa4 h GLU 93 Ca 0.19 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 2aa4 h GLU 93 Cb -0.06 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.98 2aa4 h GLU 93 CO -0.04 0.64 -0.86 1.96 -1.00 0.00 0.00 179.01 179.71 2aa4 h GLN 94 N 1.00 0.52 -0.10 2.33 4.20 -0.75 -0.61 115.11 121.70 2aa4 h GLN 94 Ca 0.48 -0.49 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 2aa4 h GLN 94 Cb 0.46 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 2aa4 h GLN 94 CO -0.25 1.13 -0.74 -0.07 -0.67 0.00 0.00 178.83 178.23 2aa4 h LEU 95 N 0.33 0.59 0.00 1.46 3.38 -0.20 -3.39 115.31 117.48 2aa4 h LEU 95 Ca -0.07 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 2aa4 h LEU 95 Cb 1.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2aa4 h LEU 95 CO 0.16 1.14 -1.47 0.35 0.09 0.00 0.00 178.44 178.70 2aa4 n THR 96 N -3.86 0.34 -1.30 0.22 -2.24 0.32 -5.01 114.28 102.75 2aa4 n THR 96 Ca -0.05 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 2aa4 n THR 96 Cb 0.71 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 2aa4 n THR 96 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2aa4 n ASN 97 N -2.11 -3.98 -4.75 3.42 2.85 -0.23 -5.02 115.26 105.43 2aa4 n ASN 97 Ca -0.09 0.20 -0.31 0.00 -0.11 0.00 0.00 54.58 54.28 2aa4 n ASN 97 Cb 0.56 -2.29 -0.07 0.00 1.24 0.00 0.00 39.78 39.22 2aa4 n ASN 97 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2aa4 s LEU 98 N -1.98 3.73 0.21 1.20 1.43 -1.26 -5.07 118.68 116.95 2aa4 s LEU 98 Ca 0.00 -0.02 -0.32 0.00 -1.03 0.00 0.00 54.13 52.76 2aa4 s LEU 98 Cb 0.00 -2.38 -0.13 0.00 0.03 0.00 0.00 46.19 43.71 2aa4 s LEU 98 CO 0.00 0.19 1.60 -2.65 0.23 0.00 0.00 176.35 175.72 2aa4 n PRO 99 N 0.63 2.43 -4.59 1.29 -0.02 -1.26 -4.49 135.00 128.98 2aa4 n PRO 99 Ca -0.10 0.87 -0.24 0.00 -2.02 0.00 0.00 63.50 62.02 2aa4 n PRO 99 Cb 0.52 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 2aa4 n PRO 99 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aa4 s THR 100 N 0.65 1.11 0.14 3.45 2.01 -1.26 -0.41 115.64 121.32 2aa4 s THR 100 Ca 0.73 -0.50 0.10 0.00 0.31 0.00 0.00 61.69 62.33 2aa4 s THR 100 Cb -0.59 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2aa4 s THR 100 CO 0.40 0.34 -0.24 0.27 -0.69 0.00 0.00 174.62 174.70 2aa4 s ILE 101 N 0.40 2.13 0.03 1.82 -4.36 -0.72 -4.99 121.20 115.51 2aa4 s ILE 101 Ca -0.09 -1.80 0.04 0.00 -0.26 0.00 0.00 60.65 58.54 2aa4 s ILE 101 Cb -0.13 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 2aa4 s ILE 101 CO 0.02 -0.03 -0.12 0.00 0.24 0.00 0.00 174.94 175.05 2aa4 s ALA 102 N -1.32 0.99 0.06 2.27 0.00 -1.26 -1.11 121.76 121.39 2aa4 s ALA 102 Ca 0.14 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 2aa4 s ALA 102 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2aa4 s ALA 102 CO 0.07 0.18 0.20 0.96 0.00 0.00 0.00 175.76 177.17 2aa4 s ILE 103 N -0.79 0.12 0.39 0.00 -4.36 0.11 -4.95 121.20 111.72 2aa4 s ILE 103 Ca 0.00 -0.96 -0.28 0.00 -0.26 0.00 0.00 60.65 59.16 2aa4 s ILE 103 Cb -0.07 -1.04 -0.10 0.00 1.25 0.00 0.00 42.46 42.49 2aa4 s ILE 103 CO 0.01 -0.53 1.45 0.21 0.24 0.00 0.00 174.94 176.31 2aa4 s ASN 104 N -2.32 6.30 0.39 4.36 2.47 -1.26 -0.70 114.94 124.19 2aa4 s ASN 104 Ca -0.02 2.97 0.07 0.00 0.42 0.00 0.00 52.86 56.30 2aa4 s ASN 104 Cb 0.01 -2.66 0.80 0.00 -1.45 0.00 0.00 41.25 37.94 2aa4 s ASN 104 CO -0.06 -0.89 2.00 -2.24 -3.72 0.00 0.00 177.10 172.19 2aa4 h ASP 105 N 2.90 0.44 0.77 -4.21 2.03 0.76 0.14 116.42 119.25 2aa4 h ASP 105 Ca -0.51 -0.04 -0.19 0.00 -0.73 0.00 0.00 57.03 55.56 2aa4 h ASP 105 Cb 1.24 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 39.61 2aa4 h ASP 105 CO 0.64 0.39 -0.90 0.00 -1.03 0.00 0.00 179.24 178.34 2aa4 h ALA 106 N 1.68 0.52 -0.53 4.15 0.00 -1.83 -0.65 119.26 122.60 2aa4 h ALA 106 Ca 0.12 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 2aa4 h ALA 106 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2aa4 h ALA 106 CO -0.01 1.03 -0.03 1.96 0.00 0.00 0.00 179.25 182.19 2aa4 h GLN 107 N 0.04 0.95 0.13 0.00 4.20 -1.52 -0.37 115.11 118.54 2aa4 h GLN 107 Ca -0.03 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 2aa4 h GLN 107 Cb 1.56 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 2aa4 h GLN 107 CO 0.13 0.98 -0.09 0.00 -0.67 0.00 0.00 178.83 179.18 2aa4 h ALA 108 N 0.94 -0.21 -0.78 3.87 0.00 -0.90 -2.57 119.26 119.61 2aa4 h ALA 108 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aa4 h ALA 108 Cb 0.57 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2aa4 h ALA 108 CO 0.03 -0.62 0.50 0.00 0.00 0.00 0.00 179.25 179.16 2aa4 h ALA 109 N 0.64 1.42 -0.51 0.00 0.00 -1.03 -2.69 119.26 117.09 2aa4 h ALA 109 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2aa4 h ALA 109 Cb 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2aa4 h ALA 109 CO 0.01 0.53 0.31 0.00 0.00 0.00 0.00 179.25 180.09 2aa4 h ALA 110 N 1.49 0.65 -0.70 0.00 0.00 -0.94 -1.21 119.26 118.54 2aa4 h ALA 110 Ca 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2aa4 h ALA 110 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2aa4 h ALA 110 CO -0.06 0.13 0.26 2.35 0.00 0.00 0.00 179.25 181.93 2aa4 h TRP 111 N 0.68 1.10 -0.56 0.00 2.91 -1.15 0.17 115.95 119.10 2aa4 h TRP 111 Ca 0.18 -0.09 -0.02 0.00 1.13 0.00 0.00 58.89 60.09 2aa4 h TRP 111 Cb -0.02 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 28.28 2aa4 h TRP 111 CO -0.03 0.86 0.29 0.00 -1.03 0.00 0.00 178.44 178.53 2aa4 h ALA 112 N 1.12 0.72 -0.61 2.65 0.00 -1.33 -1.88 119.26 119.94 2aa4 h ALA 112 Ca 0.23 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2aa4 h ALA 112 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2aa4 h ALA 112 CO -0.01 0.27 -0.01 0.93 0.00 0.00 0.00 179.25 180.42 2aa4 h GLU 113 N 0.76 1.08 -0.62 0.00 4.39 -0.85 -2.29 114.58 117.05 2aa4 h GLU 113 Ca 0.20 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.56 2aa4 h GLU 113 Cb 0.09 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2aa4 h GLU 113 CO -0.03 1.06 0.40 0.35 -1.16 0.00 0.00 179.01 179.63 2aa4 h PHE 114 N 0.98 0.75 -0.03 4.33 3.57 -0.52 -2.77 116.94 123.25 2aa4 h PHE 114 Ca 0.17 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 2aa4 h PHE 114 Cb 0.58 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2aa4 h PHE 114 CO 0.04 0.45 -0.41 1.96 -2.23 0.00 0.00 178.31 178.13 2aa4 h GLN 115 N 0.80 0.05 0.00 1.11 1.08 -1.14 -2.39 115.11 114.62 2aa4 h GLN 115 Ca 0.24 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2aa4 h GLN 115 Cb -0.04 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2aa4 h GLN 115 CO -0.07 0.45 0.00 0.00 -0.95 0.00 0.00 178.83 178.26 2aa4 n ALA 116 N -2.46 2.22 -1.91 3.87 0.00 -0.88 -4.83 120.51 116.52 2aa4 n ALA 116 Ca -0.02 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 2aa4 n ALA 116 Cb 0.44 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.57 2aa4 n ALA 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2aa4 s LEU 117 N -2.71 2.58 0.77 0.00 1.43 -0.90 -5.07 118.68 114.78 2aa4 s LEU 117 Ca 0.20 0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 2aa4 s LEU 117 Cb 0.17 -3.24 0.05 0.00 0.03 0.00 0.00 46.19 43.20 2aa4 s LEU 117 CO 0.40 -1.82 1.09 -1.81 0.23 0.00 0.00 176.35 174.44 2aa4 s ASP 118 N -4.56 4.53 0.31 2.29 1.11 -1.26 -4.95 116.67 114.14 2aa4 s ASP 118 Ca 0.61 1.84 0.25 0.00 0.18 0.00 0.00 52.55 55.43 2aa4 s ASP 118 Cb -0.11 -2.52 1.08 0.00 1.07 0.00 0.00 42.92 42.44 2aa4 s ASP 118 CO 0.48 -2.02 1.75 1.23 1.18 0.00 0.00 175.17 177.79 2aa4 h GLY 119 N -1.06 0.00 2.00 0.21 0.00 -1.95 -3.19 103.07 99.07 2aa4 h GLY 119 Ca -0.44 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 2aa4 h GLY 119 CO 0.51 0.00 -0.80 1.29 0.00 0.00 0.00 176.54 177.54 2aa4 h ASP 120 N 0.00 0.00 -2.86 0.19 2.03 -2.01 -3.44 116.42 110.33 2aa4 h ASP 120 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 2aa4 h ASP 120 Cb 0.32 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.80 2aa4 h ASP 120 CO 0.00 0.80 0.90 -0.63 -1.03 0.00 0.00 179.24 179.28 2aa4 s ILE 121 N -3.01 3.88 -0.07 4.15 -1.09 -1.21 -4.87 121.20 118.98 2aa4 s ILE 121 Ca 0.01 1.17 0.14 0.00 -2.23 0.00 0.00 60.65 59.74 2aa4 s ILE 121 Cb 0.10 -3.75 -0.21 0.00 -1.58 0.00 0.00 42.46 37.02 2aa4 s ILE 121 CO 0.79 -0.05 0.22 0.35 -1.23 0.00 0.00 174.94 175.02 2aa4 n THR 122 N 5.04 0.38 -3.94 2.92 -2.24 -1.26 -4.89 114.28 110.29 2aa4 n THR 122 Ca 0.14 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.18 2aa4 n THR 122 Cb 0.44 -0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.35 2aa4 n THR 122 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2aa4 s ASP 123 N -4.14 3.00 0.00 3.42 1.01 -1.26 -0.77 116.67 117.93 2aa4 s ASP 123 Ca -0.06 -0.72 -0.00 0.00 0.71 0.00 0.00 52.55 52.48 2aa4 s ASP 123 Cb 0.08 -1.05 -0.01 0.00 1.01 0.00 0.00 42.92 42.95 2aa4 s ASP 123 CO 0.61 -0.16 -0.00 -0.32 0.21 0.00 0.00 175.17 175.51 2aa4 s MET 124 N 1.54 0.12 -0.06 8.23 1.75 -0.31 -0.27 119.30 130.29 2aa4 s MET 124 Ca 0.01 -0.20 0.05 0.00 -1.25 0.00 0.00 55.69 54.30 2aa4 s MET 124 Cb -0.15 0.04 -0.01 0.00 2.84 0.00 0.00 34.83 37.55 2aa4 s MET 124 CO -0.08 -0.02 -0.22 0.08 -0.65 0.00 0.00 175.02 174.13 2aa4 s VAL 125 N -0.49 2.34 -0.11 10.11 1.01 -0.95 -0.56 120.40 131.74 2aa4 s VAL 125 Ca -0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 2aa4 s VAL 125 Cb -0.03 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2aa4 s VAL 125 CO -0.00 0.57 -0.02 0.12 0.00 0.00 0.00 175.10 175.76 2aa4 s PHE 126 N -0.20 3.07 -0.09 5.22 5.36 -0.38 -1.14 117.98 129.83 2aa4 s PHE 126 Ca -0.02 0.00 0.02 0.00 -0.96 0.00 0.00 56.93 55.97 2aa4 s PHE 126 Cb -0.13 -1.84 0.01 0.00 -0.34 0.00 0.00 43.02 40.72 2aa4 s PHE 126 CO 0.03 0.27 -0.13 0.42 -1.46 0.00 0.00 175.22 174.35 2aa4 s ILE 127 N -0.42 1.30 -0.14 3.12 1.01 0.27 -1.72 121.20 124.62 2aa4 s ILE 127 Ca 0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 2aa4 s ILE 127 Cb -0.12 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2aa4 s ILE 127 CO 0.02 0.40 -0.09 0.28 0.00 0.00 0.00 174.94 175.55 2aa4 s THR 128 N 0.91 3.44 -0.25 2.92 -1.32 0.57 -0.37 115.64 121.55 2aa4 s THR 128 Ca -0.09 -0.52 0.03 0.00 -1.21 0.00 0.00 61.69 59.89 2aa4 s THR 128 Cb -0.15 -2.48 0.06 0.00 -1.51 0.00 0.00 72.50 68.42 2aa4 s THR 128 CO 0.00 0.51 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.12 2aa4 s VAL 129 N 0.36 2.09 0.00 5.08 1.01 -0.54 -1.38 120.40 127.02 2aa4 s VAL 129 Ca -0.08 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2aa4 s VAL 129 Cb -0.15 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2aa4 s VAL 129 CO 0.04 0.02 0.00 -1.54 0.00 0.00 0.00 175.10 173.62 2aa4 n SER 130 N 4.47 0.00 -0.22 3.32 3.41 -1.26 -0.86 113.62 122.49 2aa4 n SER 130 Ca -0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.38 2aa4 n SER 130 Cb 0.43 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2aa4 n SER 130 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2aa4 h THR 131 N 0.00 1.26 -4.50 6.66 1.35 -1.95 0.53 112.91 116.26 2aa4 h THR 131 Ca 0.00 -1.06 -0.29 0.00 -0.55 0.00 0.00 66.41 64.52 2aa4 h THR 131 Cb 0.00 0.75 -0.05 0.00 -1.73 0.00 0.00 68.15 67.12 2aa4 h THR 131 CO 0.00 0.39 -0.20 0.61 -0.25 0.00 0.00 175.52 176.07 2aa4 n GLY 132 N -0.51 3.82 3.12 5.82 0.00 -1.26 -2.85 105.19 113.33 2aa4 n GLY 132 Ca 0.03 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 2aa4 n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aa4 s VAL 133 N -1.74 2.08 0.24 1.61 1.01 -1.26 -4.31 120.40 118.03 2aa4 s VAL 133 Ca 0.01 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.14 2aa4 s VAL 133 Cb -0.00 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2aa4 s VAL 133 CO 0.01 0.54 -0.14 -0.83 0.00 0.00 0.00 175.10 174.68 2aa4 s GLY 134 N 1.29 1.60 0.25 4.51 0.00 -0.48 -3.73 107.32 110.77 2aa4 s GLY 134 Ca 0.05 -1.75 -0.09 0.00 0.00 0.00 0.00 44.72 42.93 2aa4 s GLY 134 CO -0.13 -1.82 0.40 -0.32 0.00 0.00 0.00 173.10 171.23 2aa4 s GLY 135 N -3.38 0.85 -0.07 0.20 0.00 -0.99 -0.32 107.32 103.61 2aa4 s GLY 135 Ca 0.25 -1.14 -0.09 0.00 0.00 0.00 0.00 44.72 43.75 2aa4 s GLY 135 CO 0.10 -0.84 0.23 -0.32 0.00 0.00 0.00 173.10 172.26 2aa4 s GLY 136 N -3.07 -0.14 -0.16 0.20 0.00 -0.70 -3.71 107.32 99.74 2aa4 s GLY 136 Ca 0.27 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 2aa4 s GLY 136 CO 0.11 0.40 -0.11 0.14 0.00 0.00 0.00 173.10 173.64 2aa4 s VAL 137 N -0.26 3.08 -0.22 1.40 1.01 -1.26 -1.25 120.40 122.89 2aa4 s VAL 137 Ca -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2aa4 s VAL 137 Cb -0.03 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2aa4 s VAL 137 CO 0.01 0.49 -0.08 -0.69 0.00 0.00 0.00 175.10 174.83 2aa4 s VAL 138 N 0.77 2.92 -0.05 2.92 1.01 0.27 -0.70 120.40 127.54 2aa4 s VAL 138 Ca -0.04 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2aa4 s VAL 138 Cb -0.15 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2aa4 s VAL 138 CO 0.01 0.37 -0.22 -0.44 0.00 0.00 0.00 175.10 174.83 2aa4 s SER 139 N 1.39 2.66 -1.50 3.32 0.01 0.00 -1.16 113.70 118.42 2aa4 s SER 139 Ca 0.04 -0.44 -0.10 0.00 1.31 0.00 0.00 55.95 56.75 2aa4 s SER 139 Cb -0.15 -0.74 0.07 0.00 0.21 0.00 0.00 66.02 65.42 2aa4 s SER 139 CO -0.06 0.20 0.83 0.61 0.41 0.00 0.00 173.24 175.23 2aa4 n GLY 140 N 3.03 -0.41 2.55 3.44 0.00 -1.04 -0.89 105.19 111.88 2aa4 n GLY 140 Ca -0.18 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2aa4 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa4 s LYS 142 N -4.03 2.13 -0.03 0.00 1.02 -0.07 -5.11 119.74 113.66 2aa4 s LYS 142 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 2aa4 s LYS 142 Cb 0.00 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 2aa4 s LYS 142 CO 0.00 0.20 1.30 -1.17 -0.92 0.00 0.00 175.35 174.76 2aa4 s LEU 143 N 0.22 4.30 -0.43 3.17 2.96 -1.26 -0.82 118.68 126.82 2aa4 s LEU 143 Ca -0.10 1.96 -0.20 0.00 -0.22 0.00 0.00 54.13 55.57 2aa4 s LEU 143 Cb -0.14 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.01 2aa4 s LEU 143 CO 0.04 -0.65 0.63 -0.76 -1.32 0.00 0.00 176.35 174.29 2aa4 s LEU 144 N 2.32 4.50 -0.08 -0.68 1.43 0.12 -4.88 118.68 121.40 2aa4 s LEU 144 Ca 0.60 -0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.50 2aa4 s LEU 144 Cb -0.28 -2.71 -0.24 0.00 0.03 0.00 0.00 46.19 42.99 2aa4 s LEU 144 CO 0.24 -0.74 0.51 0.35 0.23 0.00 0.00 176.35 176.94 2aa4 n THR 145 N 5.80 1.60 0.00 5.49 -2.24 -1.26 -4.46 114.28 119.20 2aa4 n THR 145 Ca -0.02 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2aa4 n THR 145 Cb 0.48 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 2aa4 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aa4 n GLY 146 N 1.66 -1.14 0.32 3.38 0.00 -1.26 -1.71 105.19 106.44 2aa4 n GLY 146 Ca -0.22 -1.44 0.15 0.00 0.00 0.00 0.00 46.02 44.51 2aa4 n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2aa4 h PRO 147 N 0.00 0.00 -0.40 1.61 0.11 -1.99 -1.34 132.00 129.99 2aa4 h PRO 147 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2aa4 h PRO 147 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2aa4 h PRO 147 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 2aa4 n GLY 148 N -1.51 2.84 2.10 -0.55 0.00 -1.26 -4.78 105.19 102.03 2aa4 n GLY 148 Ca 0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 2aa4 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa4 n GLY 149 N 0.59 0.62 0.14 -0.02 0.00 -0.51 -4.10 105.19 101.91 2aa4 n GLY 149 Ca 0.14 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 2aa4 n GLY 149 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2aa4 n LEU 150 N -0.44 2.65 -4.37 0.99 7.94 -0.86 -4.09 117.00 118.82 2aa4 n LEU 150 Ca -0.04 0.18 -0.37 0.00 -1.11 0.00 0.00 56.01 54.67 2aa4 n LEU 150 Cb 0.17 -1.10 0.04 0.00 0.53 0.00 0.00 43.42 43.07 2aa4 n LEU 150 CO 0.06 0.84 -0.24 0.00 -1.11 0.00 0.00 177.39 176.94 2aa4 n ALA 151 N -3.05 -2.19 -0.93 1.96 0.00 -0.70 -3.02 120.51 112.59 2aa4 n ALA 151 Ca -0.33 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2aa4 n ALA 151 Cb 1.03 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2aa4 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aa4 n GLY 152 N 2.06 0.53 2.39 0.00 0.00 -1.26 -4.83 105.19 104.08 2aa4 n GLY 152 Ca 0.09 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2aa4 n GLY 152 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aa4 n HIS 153 N -2.93 2.51 0.88 1.61 -0.00 -1.17 -2.35 115.22 113.77 2aa4 n HIS 153 Ca 0.00 -2.98 0.13 0.00 -0.00 0.00 0.00 57.72 54.87 2aa4 n HIS 153 Cb 0.00 -2.23 0.55 0.00 -0.00 0.00 0.00 29.99 28.32 2aa4 n HIS 153 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2aa4 n ILE 154 N 2.84 0.21 0.28 1.59 -5.35 -1.26 -2.30 119.36 115.37 2aa4 n ILE 154 Ca 0.72 -0.01 0.17 0.00 -0.27 0.00 0.00 62.75 63.36 2aa4 n ILE 154 Cb 0.24 -0.58 0.79 0.00 -1.74 0.00 0.00 39.64 38.35 2aa4 n ILE 154 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2aa4 h GLY 155 N 4.62 0.00 -3.70 3.28 0.00 -1.83 -3.16 103.07 102.28 2aa4 h GLY 155 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 2aa4 h GLY 155 CO 0.00 0.00 -0.19 1.42 0.00 0.00 0.00 176.54 177.77 2aa4 n HIS 156 N -3.19 2.78 -4.19 5.60 8.25 -0.97 -0.17 115.22 123.33 2aa4 n HIS 156 Ca -0.01 -2.45 -0.22 0.00 -0.26 0.00 0.00 57.72 54.78 2aa4 n HIS 156 Cb 0.26 -0.73 -0.06 0.00 1.12 0.00 0.00 29.99 30.58 2aa4 n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2aa4 s THR 157 N -4.57 4.03 0.00 1.59 -4.23 -1.19 -4.95 115.64 106.32 2aa4 s THR 157 Ca 0.55 -1.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 2aa4 s THR 157 Cb 0.44 -3.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 2aa4 s THR 157 CO 0.02 -0.36 1.31 -0.22 -0.54 0.00 0.00 174.62 174.83 2aa4 s LEU 158 N -3.76 4.32 -0.25 4.79 2.96 -1.26 -1.45 118.68 124.02 2aa4 s LEU 158 Ca 0.32 2.03 0.02 0.00 -0.22 0.00 0.00 54.13 56.28 2aa4 s LEU 158 Cb -0.07 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.89 2aa4 s LEU 158 CO 0.23 -0.64 -0.22 0.00 -1.32 0.00 0.00 176.35 174.41 2aa4 n ALA 159 N 4.99 1.46 -3.60 5.97 0.00 0.39 -4.77 120.51 124.96 2aa4 n ALA 159 Ca 0.12 -1.08 -0.01 0.00 0.00 0.00 0.00 53.44 52.48 2aa4 n ALA 159 Cb 0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 2aa4 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2aa4 s ASP 160 N -6.41 -1.16 0.36 0.00 -1.08 -0.81 -5.01 116.67 102.56 2aa4 s ASP 160 Ca -0.33 1.50 0.26 0.00 -0.52 0.00 0.00 52.55 53.46 2aa4 s ASP 160 Cb 0.09 2.28 1.26 0.00 -1.46 0.00 0.00 42.92 45.08 2aa4 s ASP 160 CO 0.58 -0.22 1.79 1.55 0.52 0.00 0.00 175.17 179.39 2aa4 h PRO 161 N 8.00 0.00 -0.39 4.34 0.13 -1.84 -0.89 132.00 141.36 2aa4 h PRO 161 Ca -0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.86 2aa4 h PRO 161 Cb 1.11 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 2aa4 h PRO 161 CO 0.12 0.00 0.04 0.72 -0.23 0.00 0.00 178.00 178.65 2aa4 n HIS 162 N -2.43 1.31 -2.05 1.56 8.25 -1.26 -4.83 115.22 115.77 2aa4 n HIS 162 Ca -0.00 -1.12 -0.29 0.00 -0.26 0.00 0.00 57.72 56.05 2aa4 n HIS 162 Cb 0.14 -0.44 0.17 0.00 1.12 0.00 0.00 29.99 30.99 2aa4 n HIS 162 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2aa4 s GLY 163 N -1.88 1.78 0.62 -1.41 0.00 -0.34 -5.02 107.32 101.06 2aa4 s GLY 163 Ca 0.46 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.71 2aa4 s GLY 163 CO 0.08 -0.56 1.13 2.56 0.00 0.00 0.00 173.10 176.30 2aa4 s PRO 164 N -5.77 2.97 0.13 2.90 0.04 -1.26 -4.08 135.00 129.94 2aa4 s PRO 164 Ca 0.73 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.98 2aa4 s PRO 164 Cb -0.04 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2aa4 s PRO 164 CO 0.52 -1.14 1.37 0.08 0.04 0.00 0.00 177.00 177.87 2aa4 s VAL 165 N -2.07 3.29 0.48 -0.36 1.01 -1.26 -0.88 120.40 120.61 2aa4 s VAL 165 Ca 0.70 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.58 2aa4 s VAL 165 Cb -0.23 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2aa4 s VAL 165 CO 0.36 0.09 0.79 0.00 0.00 0.00 0.00 175.10 176.34 2aa4 h GLY 167 N 0.25 0.00 2.00 0.00 0.00 -1.95 -1.93 103.07 101.44 2aa4 h GLY 167 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2aa4 h GLY 167 CO 0.62 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.16 2aa4 n GLY 169 N 0.79 2.91 3.81 0.00 0.00 -0.72 -4.81 105.19 107.17 2aa4 n GLY 169 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2aa4 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aa4 s ARG 170 N -0.69 3.24 -0.16 1.61 0.52 -1.26 -4.79 118.95 117.41 2aa4 s ARG 170 Ca 0.00 1.15 -0.17 0.00 -0.52 0.00 0.00 55.73 56.20 2aa4 s ARG 170 Cb 0.00 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 2aa4 s ARG 170 CO 0.00 -0.87 0.43 0.99 0.02 0.00 0.00 175.30 175.87 2aa4 s THR 171 N -2.57 5.20 -0.05 0.02 2.01 -1.26 -0.46 115.64 118.52 2aa4 s THR 171 Ca 0.62 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 63.44 2aa4 s THR 171 Cb -0.16 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.59 2aa4 s THR 171 CO 0.40 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 2aa4 n GLY 172 N 3.55 0.36 3.75 4.40 0.00 -0.05 -4.69 105.19 112.51 2aa4 n GLY 172 Ca -0.08 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 2aa4 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa4 h VAL 174 N 1.13 0.16 -0.93 0.00 2.07 -1.10 -1.39 116.25 116.18 2aa4 h VAL 174 Ca -0.50 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.18 2aa4 h VAL 174 Cb 1.30 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 2aa4 h VAL 174 CO 0.56 0.00 0.60 -0.08 0.02 0.00 0.00 177.57 178.67 2aa4 h GLU 175 N -0.04 0.66 0.00 1.57 4.81 -0.85 0.10 114.58 120.82 2aa4 h GLU 175 Ca 0.34 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2aa4 h GLU 175 Cb 0.58 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2aa4 h GLU 175 CO -0.81 0.43 0.00 0.00 -0.73 0.00 0.00 179.01 177.90 2aa4 n ALA 176 N -2.42 1.88 -0.03 2.92 0.00 -0.53 -2.77 120.51 119.56 2aa4 n ALA 176 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 2aa4 n ALA 176 Cb 0.54 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 2aa4 n ALA 176 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2aa4 n ILE 177 N -1.70 0.32 0.03 0.00 5.41 -0.64 -4.48 119.36 118.31 2aa4 n ILE 177 Ca 0.04 -0.10 0.06 0.00 1.00 0.00 0.00 62.75 63.75 2aa4 n ILE 177 Cb 0.24 -1.22 -0.09 0.00 -0.71 0.00 0.00 39.64 37.86 2aa4 n ILE 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2aa4 n ALA 178 N -3.02 2.31 -1.40 -1.39 0.00 0.26 -3.77 120.51 113.50 2aa4 n ALA 178 Ca -0.11 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 2aa4 n ALA 178 Cb 0.59 -0.87 0.13 0.00 0.00 0.00 0.00 19.45 19.30 2aa4 n ALA 178 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2aa4 s SER 179 N -5.28 3.55 0.27 0.00 1.04 -1.12 -4.72 113.70 107.45 2aa4 s SER 179 Ca -0.04 1.20 -0.02 0.00 0.48 0.00 0.00 55.95 57.57 2aa4 s SER 179 Cb 0.10 -1.86 0.45 0.00 0.10 0.00 0.00 66.02 64.82 2aa4 s SER 179 CO 0.83 -2.55 1.85 1.23 0.98 0.00 0.00 173.24 175.58 2aa4 h GLY 180 N -1.49 1.51 1.62 7.32 0.00 -0.02 0.28 103.07 112.28 2aa4 h GLY 180 Ca -0.50 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.26 2aa4 h GLY 180 CO 0.59 0.23 -0.55 3.21 0.00 0.00 0.00 176.54 180.01 2aa4 h ARG 181 N 1.02 0.40 -0.49 4.80 3.08 -1.70 -1.92 114.38 119.57 2aa4 h ARG 181 Ca 0.45 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2aa4 h ARG 181 Cb 0.32 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2aa4 h ARG 181 CO -0.22 0.85 0.18 0.78 -1.07 0.00 0.00 179.97 180.49 2aa4 h GLY 182 N 1.23 0.79 0.96 0.04 0.00 -1.47 -1.23 103.07 103.40 2aa4 h GLY 182 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2aa4 h GLY 182 CO 0.09 0.42 0.19 -2.22 0.00 0.00 0.00 176.54 175.02 2aa4 h ILE 183 N 0.65 1.15 -0.24 2.60 2.04 -0.42 -2.90 117.51 120.38 2aa4 h ILE 183 Ca 0.16 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2aa4 h ILE 183 Cb 0.22 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2aa4 h ILE 183 CO -0.01 0.15 -0.15 0.00 0.00 0.00 0.00 178.15 178.14 2aa4 h ALA 184 N 1.05 1.30 0.00 1.87 0.00 -1.26 -3.12 119.26 119.09 2aa4 h ALA 184 Ca 0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2aa4 h ALA 184 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2aa4 h ALA 184 CO -0.02 0.47 -0.39 0.00 0.00 0.00 0.00 179.25 179.30 2aa4 h ALA 185 N 1.47 0.98 -0.02 0.00 0.00 -1.03 -3.12 119.26 117.55 2aa4 h ALA 185 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2aa4 h ALA 185 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2aa4 h ALA 185 CO 0.03 0.49 -0.07 0.00 0.00 0.00 0.00 179.25 179.70 2aa4 n ALA 186 N -2.30 2.70 -2.18 0.00 0.00 -1.14 -4.92 120.51 112.67 2aa4 n ALA 186 Ca -0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 2aa4 n ALA 186 Cb 0.52 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 2aa4 n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aa4 s ALA 187 N -2.11 3.54 0.41 0.00 0.00 -1.18 -5.03 121.76 117.39 2aa4 s ALA 187 Ca 0.32 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.39 2aa4 s ALA 187 Cb 0.20 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2aa4 s ALA 187 CO 0.37 -0.56 0.03 -0.65 0.00 0.00 0.00 175.76 174.96 2aa4 s GLN 188 N 0.80 1.94 5.70 0.00 -0.21 -1.26 -4.02 119.66 122.61 2aa4 s GLN 188 Ca 0.61 -2.14 0.00 0.00 0.02 0.00 0.00 55.36 53.85 2aa4 s GLN 188 Cb -0.35 -1.34 0.00 0.00 1.00 0.00 0.00 33.01 32.32 2aa4 s GLN 188 CO 0.32 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 2aa4 n GLY 189 N -0.97 2.08 0.19 3.09 0.00 -1.26 -2.29 105.19 106.03 2aa4 n GLY 189 Ca -0.08 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.56 2aa4 n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2aa4 h GLU 190 N 0.00 0.00 0.00 1.61 9.09 -2.06 -3.07 114.58 120.16 2aa4 h GLU 190 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 2aa4 h GLU 190 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2aa4 h GLU 190 CO 0.00 0.00 -0.26 1.25 0.05 0.00 0.00 179.01 180.05 2aa4 h LEU 191 N 0.00 0.00 -9.43 3.06 5.85 -1.81 -3.45 115.31 109.53 2aa4 h LEU 191 Ca 0.00 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.14 2aa4 h LEU 191 Cb 0.61 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.69 2aa4 h LEU 191 CO 0.00 0.26 0.96 0.00 -0.34 0.00 0.00 178.44 179.32 2aa4 n ALA 192 N -2.21 1.38 0.00 1.25 0.00 -1.16 -1.90 120.51 117.88 2aa4 n ALA 192 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2aa4 n ALA 192 Cb 0.50 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2aa4 n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aa4 n GLY 193 N 3.90 2.24 3.77 0.00 0.00 -1.26 -5.00 105.19 108.84 2aa4 n GLY 193 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2aa4 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aa4 s ALA 194 N -2.52 3.30 0.94 4.61 0.00 -0.80 -5.06 121.76 122.24 2aa4 s ALA 194 Ca 0.00 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 2aa4 s ALA 194 Cb 0.00 -3.30 0.17 0.00 0.00 0.00 0.00 23.12 19.99 2aa4 s ALA 194 CO 0.00 -0.14 1.25 0.16 0.00 0.00 0.00 175.76 177.03 2aa4 s ASP 195 N -1.13 3.31 0.39 0.00 1.47 -1.26 -4.69 116.67 114.76 2aa4 s ASP 195 Ca 0.48 0.50 0.10 0.00 1.18 0.00 0.00 52.55 54.81 2aa4 s ASP 195 Cb -0.28 -0.73 0.81 0.00 -0.34 0.00 0.00 42.92 42.38 2aa4 s ASP 195 CO 0.36 -2.63 1.93 0.00 0.68 0.00 0.00 175.17 175.50 2aa4 h ALA 196 N -1.57 1.53 0.08 2.11 0.00 -1.95 -1.79 119.26 117.66 2aa4 h ALA 196 Ca -0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 2aa4 h ALA 196 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2aa4 h ALA 196 CO 0.47 0.34 -0.04 -0.22 0.00 0.00 0.00 179.25 179.80 2aa4 h LYS 197 N 0.21 -0.10 -0.58 0.00 3.64 -1.94 -0.41 116.57 117.39 2aa4 h LYS 197 Ca 0.04 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2aa4 h LYS 197 Cb 0.36 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2aa4 h LYS 197 CO 0.02 0.08 0.36 1.15 -2.27 0.00 0.00 179.45 178.79 2aa4 h THR 198 N -0.27 1.07 -0.97 1.00 2.02 -1.88 -1.74 112.91 112.15 2aa4 h THR 198 Ca -0.01 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.94 2aa4 h THR 198 Cb 0.23 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 2aa4 h THR 198 CO 0.02 0.13 0.64 0.40 0.37 0.00 0.00 175.52 177.08 2aa4 h ILE 199 N 0.71 1.24 -0.61 3.11 2.04 -1.19 -1.31 117.51 121.50 2aa4 h ILE 199 Ca 0.23 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 2aa4 h ILE 199 Cb 0.01 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 35.88 2aa4 h ILE 199 CO -0.09 0.24 0.14 -0.26 0.00 0.00 0.00 178.15 178.17 2aa4 h PHE 200 N 1.31 0.99 0.17 1.37 -1.00 -0.57 -1.71 116.94 117.50 2aa4 h PHE 200 Ca 0.36 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 2aa4 h PHE 200 Cb -0.14 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.14 2aa4 h PHE 200 CO -0.00 0.83 -0.08 1.15 -1.61 0.00 0.00 178.31 178.59 2aa4 h THR 201 N 0.91 0.95 -0.72 -1.55 2.02 -0.80 -2.91 112.91 110.81 2aa4 h THR 201 Ca 0.19 -0.79 0.09 0.00 0.77 0.00 0.00 66.41 66.67 2aa4 h THR 201 Cb 0.34 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 2aa4 h THR 201 CO 0.00 0.18 0.48 0.03 0.37 0.00 0.00 175.52 176.57 2aa4 h ARG 202 N -0.63 0.62 -0.66 6.66 3.08 -1.25 -1.06 114.38 121.13 2aa4 h ARG 202 Ca -0.02 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2aa4 h ARG 202 Cb 0.47 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2aa4 h ARG 202 CO 0.04 0.41 0.43 0.00 -1.07 0.00 0.00 179.97 179.78 2aa4 h ALA 203 N 1.63 0.84 0.00 0.04 0.00 -1.30 -1.20 119.26 119.27 2aa4 h ALA 203 Ca 0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2aa4 h ALA 203 Cb 0.44 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2aa4 h ALA 203 CO -0.11 0.25 -0.16 0.78 0.00 0.00 0.00 179.25 180.01 2aa4 h GLY 204 N 0.88 0.00 0.24 0.00 0.00 -1.00 -1.87 103.07 101.32 2aa4 h GLY 204 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2aa4 h GLY 204 CO -0.06 0.00 -0.11 -1.06 0.00 0.00 0.00 176.54 175.31 2aa4 n GLN 205 N -3.48 1.09 0.00 4.80 6.02 -1.00 -4.93 117.38 119.88 2aa4 n GLN 205 Ca -0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 2aa4 n GLN 205 Cb 0.32 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2aa4 n GLN 205 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aa4 n GLY 206 N 1.24 1.07 3.62 1.08 0.00 -0.70 -5.05 105.19 106.45 2aa4 n GLY 206 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2aa4 n GLY 206 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aa4 s ASP 207 N -2.00 6.20 0.24 1.61 -1.08 -0.49 -4.89 116.67 116.26 2aa4 s ASP 207 Ca 0.00 1.48 -0.02 0.00 -0.52 0.00 0.00 52.55 53.50 2aa4 s ASP 207 Cb 0.00 -2.53 0.28 0.00 -1.46 0.00 0.00 42.92 39.21 2aa4 s ASP 207 CO 0.00 -1.43 1.68 -0.08 0.52 0.00 0.00 175.17 175.86 2aa4 h GLU 208 N 11.52 0.69 -0.15 4.34 4.57 -1.91 -1.65 114.58 131.99 2aa4 h GLU 208 Ca -0.34 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 57.57 2aa4 h GLU 208 Cb 1.16 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2aa4 h GLU 208 CO 1.01 0.83 0.02 0.37 -1.18 0.00 0.00 179.01 180.06 2aa4 h GLN 209 N 0.61 0.26 -0.77 1.92 4.15 -1.98 -1.01 115.11 118.28 2aa4 h GLN 209 Ca 0.09 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.47 2aa4 h GLN 209 Cb 0.67 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 2aa4 h GLN 209 CO 0.05 0.46 0.49 0.00 -1.93 0.00 0.00 178.83 177.89 2aa4 h ALA 210 N 0.79 1.01 -0.48 3.38 0.00 -1.85 -1.15 119.26 120.97 2aa4 h ALA 210 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2aa4 h ALA 210 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2aa4 h ALA 210 CO 0.00 0.29 0.28 1.96 0.00 0.00 0.00 179.25 181.78 2aa4 h GLN 211 N 0.95 0.66 -0.72 0.00 4.20 -1.20 -2.43 115.11 116.57 2aa4 h GLN 211 Ca 0.31 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.97 2aa4 h GLN 211 Cb 0.01 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 2aa4 h GLN 211 CO -0.11 0.50 0.47 1.96 -0.67 0.00 0.00 178.83 180.98 2aa4 h GLN 212 N 0.63 0.91 -0.92 1.46 1.08 -0.49 0.16 115.11 117.95 2aa4 h GLN 212 Ca 0.17 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.35 2aa4 h GLN 212 Cb 0.02 -0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 27.19 2aa4 h GLN 212 CO -0.03 0.60 0.60 -0.07 -0.95 0.00 0.00 178.83 178.98 2aa4 h LEU 213 N 0.94 0.99 0.03 1.46 3.38 -1.02 -0.32 115.31 120.77 2aa4 h LEU 213 Ca 0.28 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.97 2aa4 h LEU 213 Cb -0.05 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.48 2aa4 h LEU 213 CO -0.08 0.67 -1.16 0.40 0.09 0.00 0.00 178.44 178.36 2aa4 h ILE 214 N 1.14 1.41 -0.69 1.22 2.04 -0.98 -2.56 117.51 119.10 2aa4 h ILE 214 Ca 0.37 -2.72 -0.02 0.00 1.00 0.00 0.00 64.86 63.49 2aa4 h ILE 214 Cb 0.03 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 2aa4 h ILE 214 CO -0.11 0.81 0.36 0.45 0.00 0.00 0.00 178.15 179.65 2aa4 h HIS 215 N 0.17 0.96 -0.59 1.37 3.86 -0.47 0.19 115.15 120.64 2aa4 h HIS 215 Ca -0.13 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 2aa4 h HIS 215 Cb 1.84 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.99 2aa4 h HIS 215 CO 0.08 0.70 0.09 -0.09 0.86 0.00 0.00 177.93 179.56 2aa4 h ARG 216 N 0.95 0.96 -0.37 2.45 2.43 -1.10 0.15 114.38 119.85 2aa4 h ARG 216 Ca 0.24 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2aa4 h ARG 216 Cb 0.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2aa4 h ARG 216 CO -0.04 0.89 0.08 1.03 -1.51 0.00 0.00 179.97 180.43 2aa4 h SER 217 N 0.90 0.57 -0.60 -3.80 0.87 -1.14 -1.57 113.55 108.78 2aa4 h SER 217 Ca 0.18 -0.24 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 2aa4 h SER 217 Cb 0.41 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2aa4 h SER 217 CO 0.01 0.67 -0.02 0.00 -0.53 0.00 0.00 176.83 176.96 2aa4 h ALA 218 N 0.93 0.81 -0.33 6.23 0.00 -0.64 -1.05 119.26 125.22 2aa4 h ALA 218 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2aa4 h ALA 218 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2aa4 h ALA 218 CO 0.00 0.67 -0.00 -0.09 0.00 0.00 0.00 179.25 179.83 2aa4 h ARG 219 N 0.97 0.58 -0.44 0.00 9.65 -0.72 -1.52 114.38 122.90 2aa4 h ARG 219 Ca 0.17 -0.18 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 2aa4 h ARG 219 Cb 0.59 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 2aa4 h ARG 219 CO 0.04 0.71 0.24 1.15 2.80 0.00 0.00 179.97 184.90 2aa4 h THR 220 N 0.38 1.00 -0.47 0.20 2.02 -1.15 -2.23 112.91 112.65 2aa4 h THR 220 Ca 0.09 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 2aa4 h THR 220 Cb 0.45 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2aa4 h THR 220 CO 0.02 0.09 0.12 0.25 0.37 0.00 0.00 175.52 176.37 2aa4 h LEU 221 N 0.48 0.65 -0.65 2.58 5.85 -1.09 -1.91 115.31 121.21 2aa4 h LEU 221 Ca 0.19 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2aa4 h LEU 221 Cb 0.07 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2aa4 h LEU 221 CO -0.11 0.64 0.26 0.00 -0.34 0.00 0.00 178.44 178.88 2aa4 h ALA 222 N 1.45 0.85 -0.33 1.25 0.00 -0.88 -1.04 119.26 120.57 2aa4 h ALA 222 Ca 0.16 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2aa4 h ALA 222 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2aa4 h ALA 222 CO -0.00 0.47 -0.33 0.00 0.00 0.00 0.00 179.25 179.39 2aa4 h ARG 223 N 0.92 0.72 -0.31 0.00 3.08 -1.14 -0.59 114.38 117.07 2aa4 h ARG 223 Ca 0.22 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 59.96 2aa4 h ARG 223 Cb 0.22 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2aa4 h ARG 223 CO -0.02 0.95 0.13 1.25 -1.07 0.00 0.00 179.97 181.21 2aa4 h LEU 224 N 0.61 0.17 -0.87 3.04 5.85 -1.19 -0.84 115.31 122.08 2aa4 h LEU 224 Ca 0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2aa4 h LEU 224 Cb 0.85 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2aa4 h LEU 224 CO 0.07 0.14 0.44 0.40 -0.34 0.00 0.00 178.44 179.15 2aa4 h ILE 225 N 0.28 1.26 -0.70 4.05 2.04 -0.84 0.11 117.51 123.70 2aa4 h ILE 225 Ca 0.13 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2aa4 h ILE 225 Cb 0.07 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 2aa4 h ILE 225 CO -0.11 0.30 0.46 0.00 0.00 0.00 0.00 178.15 178.80 2aa4 h ALA 226 N 1.24 0.90 -0.03 1.87 0.00 -0.96 -0.23 119.26 122.06 2aa4 h ALA 226 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2aa4 h ALA 226 Cb 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2aa4 h ALA 226 CO -0.04 0.29 0.02 -0.44 0.00 0.00 0.00 179.25 179.08 2aa4 h ASP 227 N 0.93 0.03 -0.56 0.00 3.32 -0.29 -2.00 116.42 117.85 2aa4 h ASP 227 Ca 0.27 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2aa4 h ASP 227 Cb -0.08 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2aa4 h ASP 227 CO -0.07 0.03 0.23 0.40 -1.72 0.00 0.00 179.24 178.11 2aa4 h ILE 228 N 0.04 1.22 -0.63 0.35 2.04 -0.66 -1.05 117.51 118.81 2aa4 h ILE 228 Ca 0.01 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 2aa4 h ILE 228 Cb 0.00 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2aa4 h ILE 228 CO -0.00 0.27 0.31 0.50 0.00 0.00 0.00 178.15 179.23 2aa4 h LYS 229 N 0.86 0.90 -0.46 2.37 1.63 -0.93 0.14 116.57 121.08 2aa4 h LYS 229 Ca 0.20 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 2aa4 h LYS 229 Cb 0.18 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2aa4 h LYS 229 CO -0.02 0.71 0.05 0.00 -3.45 0.00 0.00 179.45 176.75 2aa4 h ALA 230 N 1.14 1.24 0.10 5.00 0.00 -0.74 -1.40 119.26 124.61 2aa4 h ALA 230 Ca 0.22 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2aa4 h ALA 230 Cb 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2aa4 h ALA 230 CO -0.03 0.51 -1.01 1.15 0.00 0.00 0.00 179.25 179.87 2aa4 h THR 231 N 0.68 1.29 0.00 0.00 2.02 -0.95 -3.41 112.91 112.55 2aa4 h THR 231 Ca 0.15 -2.43 -0.13 0.00 0.77 0.00 0.00 66.41 64.76 2aa4 h THR 231 Cb 0.34 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.67 2aa4 h THR 231 CO 0.01 0.67 -1.94 0.35 0.37 0.00 0.00 175.52 174.98 2aa4 n THR 232 N -4.12 0.49 -2.74 3.16 -2.24 0.46 -5.00 114.28 104.30 2aa4 n THR 232 Ca -0.20 -0.53 -0.21 0.00 -2.27 0.00 0.00 64.05 60.85 2aa4 n THR 232 Cb 0.81 -0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 2aa4 n THR 232 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2aa4 n ASP 233 N -2.32 -5.83 -4.69 3.42 2.03 -0.53 -4.96 116.55 103.67 2aa4 n ASP 233 Ca -0.13 -0.17 -0.40 0.00 0.52 0.00 0.00 54.79 54.61 2aa4 n ASP 233 Cb 0.71 -4.74 0.03 0.00 -0.72 0.00 0.00 41.12 36.40 2aa4 n ASP 233 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aa4 h GLN 235 N 1.60 0.00 -2.94 0.00 4.20 -1.01 -3.47 115.11 113.49 2aa4 h GLN 235 Ca -0.48 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.17 2aa4 h GLN 235 Cb 1.31 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.94 2aa4 h GLN 235 CO 0.57 0.54 -0.00 0.00 -0.67 0.00 0.00 178.83 179.27 2aa4 s VAL 237 N -2.73 2.21 -0.20 0.00 1.01 0.14 -2.25 120.40 118.58 2aa4 s VAL 237 Ca -0.04 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 2aa4 s VAL 237 Cb -0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2aa4 s VAL 237 CO -0.04 0.53 0.29 -0.69 0.00 0.00 0.00 175.10 175.19 2aa4 s VAL 238 N 1.12 5.29 -0.19 2.92 1.01 -0.29 -1.31 120.40 128.95 2aa4 s VAL 238 Ca 0.01 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2aa4 s VAL 238 Cb -0.14 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2aa4 s VAL 238 CO -0.08 0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.53 2aa4 s VAL 239 N 0.98 2.77 0.00 2.92 1.01 -0.13 -0.57 120.40 127.38 2aa4 s VAL 239 Ca 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2aa4 s VAL 239 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2aa4 s VAL 239 CO 0.05 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2aa4 n GLY 240 N 4.49 6.05 0.00 4.51 0.00 0.51 -1.55 105.19 119.20 2aa4 n GLY 240 Ca -0.19 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2aa4 n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aa4 n GLY 241 N 3.72 -0.94 0.37 -0.02 0.00 -1.26 -1.46 105.19 105.60 2aa4 n GLY 241 Ca 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.45 2aa4 n GLY 241 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2aa4 h SER 242 N 0.00 0.98 0.00 1.61 4.64 -1.89 0.15 113.55 119.05 2aa4 h SER 242 Ca 0.00 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2aa4 h SER 242 Cb 0.00 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 61.88 2aa4 h SER 242 CO 0.00 0.67 -0.47 0.58 -0.87 0.00 0.00 176.83 176.74 2aa4 h VAL 243 N 1.14 1.48 -0.09 0.95 2.07 -1.29 -3.09 116.25 117.42 2aa4 h VAL 243 Ca 0.37 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 2aa4 h VAL 243 Cb 0.04 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 2aa4 h VAL 243 CO -0.12 0.58 -0.12 1.23 0.02 0.00 0.00 177.57 179.17 2aa4 h GLY 244 N -0.28 0.14 -0.93 2.17 0.00 -0.62 -2.05 103.07 101.49 2aa4 h GLY 244 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2aa4 h GLY 244 CO 0.09 0.07 0.00 1.04 0.00 0.00 0.00 176.54 177.74 2aa4 n LEU 245 N -4.33 1.97 -4.75 3.11 4.77 0.48 -4.25 117.00 114.00 2aa4 n LEU 245 Ca -0.01 -0.67 -0.38 0.00 -0.03 0.00 0.00 56.01 54.92 2aa4 n LEU 245 Cb 0.23 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2aa4 n LEU 245 CO 0.37 0.33 0.96 0.00 -1.33 0.00 0.00 177.39 177.72 2aa4 s ALA 246 N -1.99 2.84 0.05 -1.18 0.00 -0.77 -4.86 121.76 115.85 2aa4 s ALA 246 Ca 0.35 1.26 -0.32 0.00 0.00 0.00 0.00 51.96 53.25 2aa4 s ALA 246 Cb 0.21 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 2aa4 s ALA 246 CO 0.32 -1.25 1.84 -1.91 0.00 0.00 0.00 175.76 174.77 2aa4 n GLU 247 N -0.94 2.54 0.00 0.00 2.13 -1.26 -1.86 120.64 121.25 2aa4 n GLU 247 Ca 0.10 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.84 2aa4 n GLU 247 Cb 0.46 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 29.36 2aa4 n GLU 247 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aa4 n GLY 248 N 4.23 2.41 0.06 8.31 0.00 -1.26 -4.92 105.19 114.01 2aa4 n GLY 248 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2aa4 n GLY 248 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2aa4 h TYR 249 N 0.00 -0.02 -0.83 1.61 3.20 -1.69 -2.32 116.97 116.93 2aa4 h TYR 249 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2aa4 h TYR 249 Cb 0.00 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2aa4 h TYR 249 CO 0.00 0.28 0.38 1.25 -1.64 0.00 0.00 178.16 178.43 2aa4 h LEU 250 N -0.31 1.10 -1.14 2.82 5.85 -1.76 -1.07 115.31 120.80 2aa4 h LEU 250 Ca -0.00 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2aa4 h LEU 250 Cb 0.30 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2aa4 h LEU 250 CO 0.00 0.94 0.41 0.00 -0.34 0.00 0.00 178.44 179.45 2aa4 h ALA 251 N 1.20 1.35 -0.30 1.25 0.00 -1.93 0.93 119.26 121.77 2aa4 h ALA 251 Ca 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2aa4 h ALA 251 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2aa4 h ALA 251 CO -0.03 0.54 -0.05 1.25 0.00 0.00 0.00 179.25 180.96 2aa4 h LEU 252 N 1.01 0.56 -0.37 0.00 5.85 -0.84 -0.67 115.31 120.85 2aa4 h LEU 252 Ca 0.26 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2aa4 h LEU 252 Cb 0.01 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2aa4 h LEU 252 CO -0.04 0.77 0.19 0.58 -0.34 0.00 0.00 178.44 179.60 2aa4 h VAL 253 N 0.33 0.99 -0.78 1.05 2.07 -0.78 -1.96 116.25 117.17 2aa4 h VAL 253 Ca 0.08 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2aa4 h VAL 253 Cb 0.52 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2aa4 h VAL 253 CO 0.02 0.07 0.46 -0.08 0.02 0.00 0.00 177.57 178.06 2aa4 h GLU 254 N 0.39 0.80 -0.39 1.57 4.81 -0.72 0.42 114.58 121.46 2aa4 h GLU 254 Ca 0.16 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2aa4 h GLU 254 Cb 0.06 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2aa4 h GLU 254 CO -0.10 0.53 0.23 1.15 -0.73 0.00 0.00 179.01 180.09 2aa4 h THR 255 N 0.82 1.13 -0.51 0.32 2.02 -0.71 -1.86 112.91 114.13 2aa4 h THR 255 Ca 0.35 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 2aa4 h THR 255 Cb 0.22 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2aa4 h THR 255 CO -0.19 0.13 -0.08 1.88 0.37 0.00 0.00 175.52 177.63 2aa4 h TYR 256 N 0.51 1.05 -0.78 3.16 0.05 -0.97 -2.95 116.97 117.05 2aa4 h TYR 256 Ca 0.14 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 2aa4 h TYR 256 Cb 0.00 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.44 2aa4 h TYR 256 CO -0.04 0.99 0.42 1.25 -1.05 0.00 0.00 178.16 179.74 2aa4 h LEU 257 N 0.81 0.96 -2.53 3.88 5.85 -0.85 -2.57 115.31 120.86 2aa4 h LEU 257 Ca 0.13 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2aa4 h LEU 257 Cb 0.63 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2aa4 h LEU 257 CO 0.04 0.78 -0.00 0.00 -0.34 0.00 0.00 178.44 178.92 2aa4 h ALA 258 N 1.38 1.02 0.00 1.25 0.00 -1.16 -0.80 119.26 120.94 2aa4 h ALA 258 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2aa4 h ALA 258 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2aa4 h ALA 258 CO -0.04 0.01 0.00 1.96 0.00 0.00 0.00 179.25 181.17 2aa4 h GLN 259 N 0.00 0.00 -7.36 0.00 4.20 -1.43 -3.46 115.11 107.07 2aa4 h GLN 259 Ca -0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 2aa4 h GLN 259 Cb 0.15 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.03 2aa4 h GLN 259 CO 0.00 0.00 0.36 -1.21 -0.67 0.00 0.00 178.83 177.31 2aa4 s GLU 260 N -3.30 2.60 0.74 1.46 0.41 -0.31 -5.01 118.70 115.29 2aa4 s GLU 260 Ca 0.06 0.85 -0.15 0.00 -0.41 0.00 0.00 54.97 55.32 2aa4 s GLU 260 Cb 0.07 -1.96 0.04 0.00 -1.78 0.00 0.00 34.13 30.50 2aa4 s GLU 260 CO 0.62 -1.31 1.25 -2.30 -0.49 0.00 0.00 175.26 173.02 2aa4 n PRO 261 N -3.26 0.59 -0.25 0.39 -0.02 -1.26 -4.88 135.00 126.32 2aa4 n PRO 261 Ca 0.07 0.27 0.15 0.00 -2.02 0.00 0.00 63.50 61.98 2aa4 n PRO 261 Cb 0.54 -2.48 0.45 0.00 -0.02 0.00 0.00 33.50 31.99 2aa4 n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aa4 h ALA 262 N -0.28 2.02 0.00 3.55 0.00 -1.95 -1.27 119.26 121.33 2aa4 h ALA 262 Ca -0.48 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2aa4 h ALA 262 Cb 1.32 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2aa4 h ALA 262 CO 0.49 -0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 2aa4 h ALA 263 N 1.61 1.22 -0.01 0.00 0.00 -2.01 -2.01 119.26 118.06 2aa4 h ALA 263 Ca 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2aa4 h ALA 263 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2aa4 h ALA 263 CO -0.19 0.07 -0.33 1.19 0.00 0.00 0.00 179.25 179.98 2aa4 n PHE 264 N -3.46 0.00 -2.47 0.00 3.72 -0.48 -4.89 117.46 109.88 2aa4 n PHE 264 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 2aa4 n PHE 264 Cb 0.18 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.51 2aa4 n PHE 264 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2aa4 s HIS 265 N -2.66 3.45 -0.06 1.38 3.76 -0.76 -4.51 115.29 115.89 2aa4 s HIS 265 Ca 0.20 1.67 -0.18 0.00 -0.15 0.00 0.00 55.06 56.60 2aa4 s HIS 265 Cb 0.19 -3.26 0.04 0.00 1.11 0.00 0.00 32.58 30.66 2aa4 s HIS 265 CO 0.58 -0.65 0.41 0.54 -0.85 0.00 0.00 174.74 174.77 2aa4 s VAL 266 N -1.31 0.03 0.15 -0.90 0.11 -1.26 -5.09 120.40 112.13 2aa4 s VAL 266 Ca 0.49 -0.25 -0.31 0.00 -2.93 0.00 0.00 61.98 58.98 2aa4 s VAL 266 Cb -0.29 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 33.78 2aa4 s VAL 266 CO 0.37 -0.14 1.46 -1.81 -3.33 0.00 0.00 175.10 171.66 2aa4 s ASP 267 N -0.86 6.72 -0.13 3.54 1.01 -1.25 -4.83 116.67 120.87 2aa4 s ASP 267 Ca -0.09 2.47 -0.04 0.00 0.71 0.00 0.00 52.55 55.59 2aa4 s ASP 267 Cb -0.04 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2aa4 s ASP 267 CO 0.04 -0.72 0.02 -0.76 0.21 0.00 0.00 175.17 173.96 2aa4 s LEU 268 N 0.98 3.64 0.01 1.23 1.43 -1.26 -0.68 118.68 124.03 2aa4 s LEU 268 Ca 0.66 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 2aa4 s LEU 268 Cb -0.40 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 2aa4 s LEU 268 CO 0.32 0.27 -0.14 -0.76 0.23 0.00 0.00 176.35 176.27 2aa4 s LEU 269 N -0.24 2.09 0.50 1.79 1.43 -0.42 -4.97 118.68 118.86 2aa4 s LEU 269 Ca 0.06 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.62 2aa4 s LEU 269 Cb -0.12 -0.67 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 2aa4 s LEU 269 CO 0.02 0.11 1.17 0.00 0.23 0.00 0.00 176.35 177.88 2aa4 s ALA 270 N -0.54 2.84 0.30 4.21 0.00 -1.26 -0.96 121.76 126.35 2aa4 s ALA 270 Ca 0.04 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 2aa4 s ALA 270 Cb -0.06 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 2aa4 s ALA 270 CO 0.00 -0.77 1.58 0.00 0.00 0.00 0.00 175.76 176.57 2aa4 s ALA 271 N -1.61 3.72 0.24 0.00 0.00 -0.59 -4.71 121.76 118.81 2aa4 s ALA 271 Ca 0.68 1.57 0.02 0.00 0.00 0.00 0.00 51.96 54.23 2aa4 s ALA 271 Cb -0.28 -3.64 0.28 0.00 0.00 0.00 0.00 23.12 19.48 2aa4 s ALA 271 CO 0.32 -0.99 1.60 1.25 0.00 0.00 0.00 175.76 177.95 2aa4 h HIS 272 N 4.65 0.45 -3.49 0.00 6.17 -1.93 -3.42 115.15 117.58 2aa4 h HIS 272 Ca -0.47 -0.14 -0.65 0.00 0.71 0.00 0.00 60.37 59.82 2aa4 h HIS 272 Cb 1.22 -0.09 -0.23 0.00 2.52 0.00 0.00 27.41 30.83 2aa4 h HIS 272 CO 0.58 0.79 -0.65 0.71 0.71 0.00 0.00 177.93 180.07 2aa4 s TYR 273 N -4.02 3.06 -0.00 5.26 2.02 -1.26 -4.97 117.35 117.44 2aa4 s TYR 273 Ca -0.05 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2aa4 s TYR 273 Cb 0.12 -2.13 -0.26 0.00 -0.40 0.00 0.00 41.96 39.29 2aa4 s TYR 273 CO 0.80 -0.28 0.82 -0.09 -1.57 0.00 0.00 175.55 175.23 2aa4 h ARG 274 N 7.73 0.17 -5.11 -0.62 2.43 -2.02 -3.46 114.38 113.50 2aa4 h ARG 274 Ca -0.37 -0.29 -0.34 0.00 -0.81 0.00 0.00 59.98 58.17 2aa4 h ARG 274 Cb 1.18 0.11 -0.16 0.00 -0.42 0.00 0.00 29.97 30.67 2aa4 h ARG 274 CO 0.60 0.98 -0.73 -1.01 -1.51 0.00 0.00 179.97 178.31 2aa4 s HIS 275 N -2.62 1.24 -1.82 2.20 3.76 -1.26 -4.90 115.29 111.89 2aa4 s HIS 275 Ca -0.08 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 2aa4 s HIS 275 Cb 0.07 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 33.12 2aa4 s HIS 275 CO 0.84 0.08 0.00 -0.25 -0.85 0.00 0.00 174.74 174.55 2aa4 n ASP 276 N 0.12 -5.33 0.17 1.40 8.00 -1.26 -4.88 116.55 114.76 2aa4 n ASP 276 Ca -0.13 0.25 0.03 0.00 0.71 0.00 0.00 54.79 55.65 2aa4 n ASP 276 Cb 0.59 -4.44 0.27 0.00 -0.02 0.00 0.00 41.12 37.52 2aa4 n ASP 276 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aa4 h ALA 277 N 0.39 1.01 -0.13 2.24 0.00 -1.91 -2.54 119.26 118.32 2aa4 h ALA 277 Ca -0.41 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 2aa4 h ALA 277 Cb 1.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2aa4 h ALA 277 CO 0.55 0.60 0.01 0.78 0.00 0.00 0.00 179.25 181.19 2aa4 h GLY 278 N 1.92 0.24 0.85 0.00 0.00 -1.85 0.61 103.07 104.85 2aa4 h GLY 278 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.18 2aa4 h GLY 278 CO 0.06 0.15 0.09 1.41 0.00 0.00 0.00 176.54 178.25 2aa4 h LEU 279 N -0.02 0.11 -0.23 3.11 3.38 -1.83 -0.26 115.31 119.56 2aa4 h LEU 279 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2aa4 h LEU 279 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2aa4 h LEU 279 CO 0.00 0.09 0.13 -0.07 0.09 0.00 0.00 178.44 178.69 2aa4 h LEU 280 N 0.19 0.28 -0.64 1.67 3.38 -1.45 -1.95 115.31 116.80 2aa4 h LEU 280 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2aa4 h LEU 280 Cb 0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2aa4 h LEU 280 CO -0.09 0.27 0.36 1.23 0.09 0.00 0.00 178.44 180.30 2aa4 h GLY 281 N 0.27 0.95 0.98 0.83 0.00 -0.70 -0.90 103.07 104.50 2aa4 h GLY 281 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2aa4 h GLY 281 CO -0.01 0.41 0.16 0.00 0.00 0.00 0.00 176.54 177.10 2aa4 h ALA 282 N 1.18 0.34 -0.55 3.60 0.00 -0.92 -0.47 119.26 122.44 2aa4 h ALA 282 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2aa4 h ALA 282 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2aa4 h ALA 282 CO -0.04 -0.16 0.12 0.00 0.00 0.00 0.00 179.25 179.17 2aa4 h ALA 283 N 1.06 1.17 -0.42 0.00 0.00 -1.22 -0.43 119.26 119.43 2aa4 h ALA 283 Ca 0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2aa4 h ALA 283 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2aa4 h ALA 283 CO -0.02 0.56 -0.11 -0.07 0.00 0.00 0.00 179.25 179.61 2aa4 h LEU 284 N 0.82 0.73 -0.61 0.00 3.38 -0.84 -2.11 115.31 116.68 2aa4 h LEU 284 Ca 0.18 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2aa4 h LEU 284 Cb 0.33 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2aa4 h LEU 284 CO 0.00 0.87 -0.66 -0.07 0.09 0.00 0.00 178.44 178.67 2aa4 h LEU 285 N 0.67 0.00 -1.11 1.67 3.38 -0.72 -2.98 115.31 116.23 2aa4 h LEU 285 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2aa4 h LEU 285 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2aa4 h LEU 285 CO 0.04 0.66 -0.39 0.00 0.09 0.00 0.00 178.44 178.84 2aa4 h ALA 286 N 1.34 1.13 -0.39 1.53 0.00 -0.79 -3.13 119.26 118.95 2aa4 h ALA 286 Ca -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2aa4 h ALA 286 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2aa4 h ALA 286 CO 0.09 0.49 -0.06 1.96 0.00 0.00 0.00 179.25 181.73 2aa4 h GLN 287 N 0.00 0.65 -2.44 0.00 4.20 -1.22 -3.10 115.11 113.19 2aa4 h GLN 287 Ca -0.00 -0.18 -0.71 0.00 0.06 0.00 0.00 58.65 57.82 2aa4 h GLN 287 Cb 0.80 -0.07 -0.16 0.00 0.30 0.00 0.00 27.48 28.35 2aa4 h GLN 287 CO 0.05 0.71 1.85 0.41 -0.67 0.00 0.00 178.83 181.17 2aa4 n GLY 288 N -0.65 5.21 0.00 3.46 0.00 -1.18 -5.13 105.19 106.89 2aa4 n GLY 288 Ca 0.02 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2aa4 n GLY 288 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11