#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt8 n SER 2 N 0.00 0.00 0.02 0.00 7.64 -1.26 -5.02 113.62 115.00 2qt8 n SER 2 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2qt8 n SER 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2qt8 n SER 2 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2qt8 h LEU 3 N 0.00 0.93 -0.77 -3.43 3.38 -2.06 -2.04 115.31 111.32 2qt8 h LEU 3 Ca 0.00 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.26 2qt8 h LEU 3 Cb 0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2qt8 h LEU 3 CO 0.00 1.51 0.48 0.00 0.09 0.00 0.00 178.44 180.51 2qt8 h ALA 4 N 0.45 0.98 -0.53 1.53 0.00 -2.00 -2.01 119.26 117.68 2qt8 h ALA 4 Ca -0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2qt8 h ALA 4 Cb 1.62 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2qt8 h ALA 4 CO 0.19 0.44 -0.00 0.28 0.00 0.00 0.00 179.25 180.16 2qt8 h VAL 5 N 1.05 1.25 -0.78 0.00 2.07 -1.99 -1.92 116.25 115.93 2qt8 h VAL 5 Ca 0.28 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2qt8 h VAL 5 Cb -0.06 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2qt8 h VAL 5 CO -0.05 0.38 0.33 -0.33 0.02 0.00 0.00 177.57 177.91 2qt8 h GLU 6 N 0.83 1.16 -0.62 1.57 4.39 -1.07 -0.90 114.58 119.94 2qt8 h GLU 6 Ca 0.16 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2qt8 h GLU 6 Cb 0.49 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2qt8 h GLU 6 CO 0.02 0.93 0.31 0.00 -1.16 0.00 0.00 179.01 179.12 2qt8 h ALA 7 N 1.22 0.80 -0.45 3.43 0.00 -1.01 -0.95 119.26 122.29 2qt8 h ALA 7 Ca 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2qt8 h ALA 7 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2qt8 h ALA 7 CO -0.02 0.35 0.15 0.28 0.00 0.00 0.00 179.25 180.00 2qt8 h VAL 8 N 0.85 1.22 -0.19 0.00 2.07 -1.08 -1.69 116.25 117.43 2qt8 h VAL 8 Ca 0.22 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.06 2qt8 h VAL 8 Cb 0.09 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2qt8 h VAL 8 CO -0.03 0.26 0.03 0.50 0.02 0.00 0.00 177.57 178.34 2qt8 h LYS 9 N 0.58 0.10 -0.96 1.57 3.64 -0.94 0.15 116.57 120.71 2qt8 h LYS 9 Ca 0.14 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2qt8 h LYS 9 Cb 0.25 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 2qt8 h LYS 9 CO -0.01 0.06 0.63 -0.44 -2.27 0.00 0.00 179.45 177.43 2qt8 h ASP 10 N 0.10 1.10 -0.14 4.20 3.32 -1.08 -1.25 116.42 122.68 2qt8 h ASP 10 Ca 0.09 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2qt8 h ASP 10 Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2qt8 h ASP 10 CO -0.13 0.80 0.09 0.15 -1.72 0.00 0.00 179.24 178.43 2qt8 h PHE 11 N 1.30 0.17 -0.67 4.55 3.57 -0.73 -1.98 116.94 123.14 2qt8 h PHE 11 Ca 0.35 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 2qt8 h PHE 11 Cb -0.15 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 2qt8 h PHE 11 CO -0.00 0.10 0.41 -0.07 -2.23 0.00 0.00 178.31 176.52 2qt8 h LEU 12 N 0.18 0.81 -0.45 0.59 3.38 -0.55 0.12 115.31 119.39 2qt8 h LEU 12 Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qt8 h LEU 12 Cb -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qt8 h LEU 12 CO -0.02 0.63 0.20 -0.07 0.09 0.00 0.00 178.44 179.27 2qt8 h LEU 13 N 0.92 0.61 -0.77 1.67 3.38 -1.17 -1.03 115.31 118.92 2qt8 h LEU 13 Ca 0.24 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2qt8 h LEU 13 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2qt8 h LEU 13 CO -0.05 0.59 -0.00 0.50 0.09 0.00 0.00 178.44 179.57 2qt8 h LYS 14 N 0.58 0.93 -0.47 1.13 3.64 -1.09 -2.17 116.57 119.12 2qt8 h LYS 14 Ca 0.15 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2qt8 h LYS 14 Cb 0.16 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2qt8 h LYS 14 CO -0.02 0.92 0.28 1.25 -2.27 0.00 0.00 179.45 179.62 2qt8 h LEU 15 N 0.86 0.46 -0.27 5.20 5.85 -0.47 0.97 115.31 127.91 2qt8 h LEU 15 Ca 0.16 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2qt8 h LEU 15 Cb 0.51 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2qt8 h LEU 15 CO 0.03 0.33 0.11 -0.61 -0.34 0.00 0.00 178.44 177.96 2qt8 h GLN 16 N 0.57 0.24 -0.30 1.25 4.15 -1.00 -0.15 115.11 119.87 2qt8 h GLN 16 Ca 0.19 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.63 2qt8 h GLN 16 Cb 0.01 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 2qt8 h GLN 16 CO -0.08 0.16 0.06 -0.44 -1.93 0.00 0.00 178.83 176.60 2qt8 h ASP 17 N 0.25 0.03 -0.53 -0.69 3.32 -1.02 -1.31 116.42 116.46 2qt8 h ASP 17 Ca 0.11 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 2qt8 h ASP 17 Cb 0.06 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2qt8 h ASP 17 CO -0.10 0.05 -0.10 0.44 -1.72 0.00 0.00 179.24 177.81 2qt8 h ASP 18 N 0.18 1.00 -0.35 6.45 3.32 -0.49 -0.38 116.42 126.15 2qt8 h ASP 18 Ca 0.14 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 2qt8 h ASP 18 Cb 0.14 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2qt8 h ASP 18 CO -0.18 1.12 -0.10 0.40 -1.72 0.00 0.00 179.24 178.76 2qt8 h ILE 19 N 0.87 1.28 -0.73 0.35 2.04 -0.96 -1.76 117.51 118.61 2qt8 h ILE 19 Ca 0.14 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 2qt8 h ILE 19 Cb 0.66 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2qt8 h ILE 19 CO 0.05 0.39 0.40 0.00 0.00 0.00 0.00 178.15 178.98 2qt8 h GLU 21 N 1.00 0.81 -0.48 0.00 4.81 -0.98 -0.62 114.58 119.12 2qt8 h GLU 21 Ca 0.26 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2qt8 h GLU 21 Cb 0.04 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2qt8 h GLU 21 CO -0.04 0.65 0.06 0.00 -0.73 0.00 0.00 179.01 178.96 2qt8 h ALA 22 N 1.11 0.63 -0.37 2.92 0.00 -1.05 -1.46 119.26 121.04 2qt8 h ALA 22 Ca 0.19 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2qt8 h ALA 22 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qt8 h ALA 22 CO -0.03 0.37 -0.28 -0.07 0.00 0.00 0.00 179.25 179.25 2qt8 h LEU 23 N 0.66 0.81 -0.84 0.00 3.38 -1.19 -2.64 115.31 115.49 2qt8 h LEU 23 Ca 0.14 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2qt8 h LEU 23 Cb 0.41 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2qt8 h LEU 23 CO 0.01 1.04 0.48 -0.33 0.09 0.00 0.00 178.44 179.73 2qt8 h GLU 24 N 0.67 1.16 -0.51 1.13 5.08 -0.96 -1.82 114.58 119.33 2qt8 h GLU 24 Ca 0.08 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2qt8 h GLU 24 Cb 0.81 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2qt8 h GLU 24 CO 0.07 0.84 0.10 0.00 -1.00 0.00 0.00 179.01 179.02 2qt8 h ALA 25 N 1.26 1.22 -0.21 3.43 0.00 -1.11 -1.15 119.26 122.69 2qt8 h ALA 25 Ca 0.30 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2qt8 h ALA 25 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2qt8 h ALA 25 CO -0.05 0.53 -0.54 0.93 0.00 0.00 0.00 179.25 180.12 2qt8 h GLU 26 N 0.76 0.62 0.20 0.00 4.39 -1.16 -3.34 114.58 116.06 2qt8 h GLU 26 Ca 0.16 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2qt8 h GLU 26 Cb 0.32 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2qt8 h GLU 26 CO 0.00 1.00 -0.10 0.22 -1.16 0.00 0.00 179.01 178.98 2qt8 h ASP 27 N 0.48 -0.23 0.00 1.42 1.82 -1.12 -3.46 116.42 115.33 2qt8 h ASP 27 Ca 0.01 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 2qt8 h ASP 27 Cb 1.09 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.16 2qt8 h ASP 27 CO 0.11 0.30 0.00 0.61 -1.61 0.00 0.00 179.24 178.65 2qt8 n GLY 28 N 0.72 2.53 0.77 -0.78 0.00 -0.45 -4.51 105.19 103.47 2qt8 n GLY 28 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 2qt8 n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qt8 n GLN 29 N -2.00 0.16 -3.59 1.61 7.27 -1.26 -5.05 117.38 114.52 2qt8 n GLN 29 Ca 0.00 0.07 -0.23 0.00 0.07 0.00 0.00 57.00 56.91 2qt8 n GLN 29 Cb 0.00 -0.77 -0.01 0.00 2.41 0.00 0.00 30.24 31.87 2qt8 n GLN 29 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2qt8 s ALA 30 N -2.21 3.79 0.14 1.69 0.00 -1.26 -4.97 121.76 118.94 2qt8 s ALA 30 Ca -0.09 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.90 2qt8 s ALA 30 Cb 0.02 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 2qt8 s ALA 30 CO 0.13 0.07 -0.15 0.95 0.00 0.00 0.00 175.76 176.76 2qt8 s THR 31 N -2.20 1.45 0.27 0.00 -4.23 -1.26 -4.85 115.64 104.82 2qt8 s THR 31 Ca 0.38 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 2qt8 s THR 31 Cb -0.09 -1.67 -0.10 0.00 1.34 0.00 0.00 72.50 71.98 2qt8 s THR 31 CO 0.33 -0.44 1.28 -0.36 -0.54 0.00 0.00 174.62 174.89 2qt8 s PHE 32 N -2.30 3.22 -0.13 3.99 0.08 -1.26 -4.73 117.98 116.85 2qt8 s PHE 32 Ca 0.12 1.37 -0.04 0.00 0.12 0.00 0.00 56.93 58.50 2qt8 s PHE 32 Cb -0.04 -3.59 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 2qt8 s PHE 32 CO 0.04 -1.67 0.01 0.14 -0.10 0.00 0.00 175.22 173.64 2qt8 s VAL 33 N -0.59 4.38 -0.16 -0.44 -7.23 0.21 -4.88 120.40 111.69 2qt8 s VAL 33 Ca 0.52 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.38 2qt8 s VAL 33 Cb -0.37 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 2qt8 s VAL 33 CO 0.45 0.54 0.20 -0.70 -0.31 0.00 0.00 175.10 175.28 2qt8 s GLU 34 N -0.26 4.06 -0.30 4.82 2.12 -1.26 -1.33 118.70 126.55 2qt8 s GLU 34 Ca 0.06 -0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.36 2qt8 s GLU 34 Cb -0.12 -3.37 0.08 0.00 0.26 0.00 0.00 34.13 30.98 2qt8 s GLU 34 CO 0.02 0.39 -0.02 0.34 -0.54 0.00 0.00 175.26 175.45 2qt8 s ASP 35 N 0.06 4.59 -0.07 -1.70 2.15 0.18 -4.98 116.67 116.89 2qt8 s ASP 35 Ca 0.13 -1.79 -0.15 0.00 0.43 0.00 0.00 52.55 51.17 2qt8 s ASP 35 Cb -0.12 -1.57 -0.05 0.00 -0.30 0.00 0.00 42.92 40.88 2qt8 s ASP 35 CO 0.02 -0.29 0.38 -1.59 -0.17 0.00 0.00 175.17 173.52 2qt8 s LYS 36 N 1.01 4.07 0.06 4.34 -2.85 -1.26 -0.85 119.74 124.26 2qt8 s LYS 36 Ca 0.02 0.32 -0.04 0.00 -1.00 0.00 0.00 55.97 55.27 2qt8 s LYS 36 Cb -0.19 -3.32 -0.03 0.00 -2.06 0.00 0.00 37.83 32.23 2qt8 s LYS 36 CO -0.07 0.46 0.04 1.67 0.10 0.00 0.00 175.35 177.56 2qt8 s TRP 37 N -0.30 0.39 0.14 1.78 1.48 -0.51 -5.02 118.94 116.89 2qt8 s TRP 37 Ca 0.22 -0.88 0.04 0.00 -1.06 0.00 0.00 56.10 54.41 2qt8 s TRP 37 Cb -0.15 -0.27 -0.04 0.00 -1.16 0.00 0.00 33.47 31.84 2qt8 s TRP 37 CO 0.10 -0.42 -0.09 0.95 -4.06 0.00 0.00 176.95 173.43 2qt8 s THR 38 N -3.79 1.04 0.09 0.66 -4.23 -1.26 -1.31 115.64 106.84 2qt8 s THR 38 Ca 0.05 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.61 2qt8 s THR 38 Cb 0.06 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 2qt8 s THR 38 CO -0.10 -0.76 -0.20 -0.60 -0.54 0.00 0.00 174.62 172.42 2qt8 s ARG 39 N -3.77 1.14 -0.24 3.99 6.06 -0.53 -4.93 118.95 120.66 2qt8 s ARG 39 Ca 0.16 -1.09 -0.29 0.00 -2.50 0.00 0.00 55.73 52.00 2qt8 s ARG 39 Cb 0.03 -1.36 -0.06 0.00 0.06 0.00 0.00 34.95 33.62 2qt8 s ARG 39 CO -0.00 0.32 2.22 0.39 -2.50 0.00 0.00 175.30 175.73 2qt8 n GLU 40 N 1.26 1.80 -2.03 5.12 1.02 -1.26 -1.94 120.64 124.62 2qt8 n GLU 40 Ca -0.19 0.49 -0.15 0.00 -0.02 0.00 0.00 57.16 57.29 2qt8 n GLU 40 Cb 0.54 -3.10 -0.03 0.00 -0.02 0.00 0.00 31.44 28.83 2qt8 n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qt8 n GLY 41 N 5.91 0.26 0.33 0.62 0.00 -1.26 -4.83 105.19 106.22 2qt8 n GLY 41 Ca 0.32 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.37 2qt8 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 42 N -0.63 1.56 6.48 -0.02 0.00 -0.82 -4.63 105.19 107.13 2qt8 n GLY 42 Ca -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2qt8 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 43 N -0.42 0.34 0.00 -0.02 0.00 -1.25 -1.71 105.19 102.14 2qt8 n GLY 43 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2qt8 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 44 N 0.00 -0.58 3.81 -0.02 0.00 -0.17 -1.46 105.19 106.77 2qt8 n GLY 44 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 2qt8 n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qt8 s GLY 45 N 0.00 -0.09 -0.23 -0.02 0.00 -0.43 -0.40 107.32 106.15 2qt8 s GLY 45 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 2qt8 s GLY 45 CO 0.00 1.59 0.02 0.50 0.00 0.00 0.00 173.10 175.20 2qt8 s ARG 46 N -2.54 1.02 -0.22 2.90 0.52 0.31 -1.43 118.95 119.51 2qt8 s ARG 46 Ca 0.18 -0.76 -0.10 0.00 -0.52 0.00 0.00 55.73 54.53 2qt8 s ARG 46 Cb -0.01 -2.28 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 2qt8 s ARG 46 CO 0.03 -0.69 0.14 0.99 0.02 0.00 0.00 175.30 175.78 2qt8 s THR 47 N 1.64 5.28 -0.11 0.02 2.01 -0.03 -0.99 115.64 123.45 2qt8 s THR 47 Ca -0.01 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.17 2qt8 s THR 47 Cb -0.18 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 68.90 2qt8 s THR 47 CO -0.10 0.39 -0.22 -0.13 -0.69 0.00 0.00 174.62 173.87 2qt8 s ARG 48 N 0.74 3.09 0.04 4.92 0.52 -0.86 0.48 118.95 127.87 2qt8 s ARG 48 Ca 0.07 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2qt8 s ARG 48 Cb -0.12 -2.38 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 2qt8 s ARG 48 CO 0.02 0.13 0.01 1.33 0.02 0.00 0.00 175.30 176.81 2qt8 n VAL 49 N 3.67 0.00 0.00 3.52 0.24 -0.44 -0.72 118.33 124.61 2qt8 n VAL 49 Ca -0.19 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2qt8 n VAL 49 Cb 0.53 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2qt8 n VAL 49 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2qt8 n VAL 51 N -0.08 0.00 -3.72 3.34 3.14 -1.26 -0.62 118.33 119.13 2qt8 n VAL 51 Ca -0.00 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.14 2qt8 n VAL 51 Cb 0.06 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.88 2qt8 n VAL 51 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2qt8 n ASP 52 N 0.00 -3.22 -4.18 6.55 8.00 -0.50 -4.94 116.55 118.26 2qt8 n ASP 52 Ca 0.00 -0.74 -0.29 0.00 0.71 0.00 0.00 54.79 54.47 2qt8 n ASP 52 Cb 0.00 -4.28 0.18 0.00 -0.02 0.00 0.00 41.12 37.00 2qt8 n ASP 52 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qt8 s GLY 53 N -3.87 1.78 0.42 0.44 0.00 -0.37 -4.82 107.32 100.90 2qt8 s GLY 53 Ca 0.30 -1.30 0.18 0.00 0.00 0.00 0.00 44.72 43.90 2qt8 s GLY 53 CO 0.80 -0.55 1.89 0.00 0.00 0.00 0.00 173.10 175.23 2qt8 h ALA 54 N -1.51 1.29 0.00 3.20 0.00 -1.94 -3.40 119.26 116.91 2qt8 h ALA 54 Ca -0.43 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2qt8 h ALA 54 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qt8 h ALA 54 CO 0.37 0.36 -0.86 0.28 0.00 0.00 0.00 179.25 179.40 2qt8 n VAL 55 N -3.86 0.00 -3.34 0.00 0.31 -1.26 -4.87 118.33 105.30 2qt8 n VAL 55 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.89 2qt8 n VAL 55 Cb 0.37 -1.05 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 2qt8 n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qt8 s ILE 56 N -1.95 5.11 0.05 2.52 1.01 -1.26 -0.57 121.20 126.11 2qt8 s ILE 56 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 2qt8 s ILE 56 Cb 0.00 -4.00 -0.19 0.00 0.01 0.00 0.00 42.46 38.28 2qt8 s ILE 56 CO 0.00 -0.37 1.22 -0.08 0.00 0.00 0.00 174.94 175.71 2qt8 h GLU 57 N 8.68 0.54 -2.58 2.79 4.81 -1.55 -0.98 114.58 126.30 2qt8 h GLU 57 Ca -0.27 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.39 2qt8 h GLU 57 Cb 1.12 0.10 -0.28 0.00 0.63 0.00 0.00 28.75 30.32 2qt8 h GLU 57 CO 0.78 1.09 -0.38 0.21 -0.73 0.00 0.00 179.01 179.97 2qt8 s LYS 58 N -3.62 0.31 -0.02 1.92 2.20 -0.79 -1.41 119.74 118.33 2qt8 s LYS 58 Ca -0.12 0.96 -0.01 0.00 -0.36 0.00 0.00 55.97 56.44 2qt8 s LYS 58 Cb 0.06 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2qt8 s LYS 58 CO 0.84 -0.24 0.04 0.20 -0.36 0.00 0.00 175.35 175.83 2qt8 s GLY 59 N 2.40 -0.00 -0.05 5.54 0.00 -1.26 -0.29 107.32 113.66 2qt8 s GLY 59 Ca -0.03 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.90 2qt8 s GLY 59 CO -0.12 0.27 -0.12 -0.32 0.00 0.00 0.00 173.10 172.81 2qt8 s GLY 60 N 0.31 0.72 -0.25 0.20 0.00 -0.61 -4.26 107.32 103.44 2qt8 s GLY 60 Ca -0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 44.72 44.28 2qt8 s GLY 60 CO -0.01 -0.00 0.01 0.14 0.00 0.00 0.00 173.10 173.24 2qt8 s VAL 61 N 0.44 1.16 -0.08 1.40 1.01 0.10 -1.80 120.40 122.63 2qt8 s VAL 61 Ca -0.09 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 2qt8 s VAL 61 Cb -0.13 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2qt8 s VAL 61 CO 0.02 -0.28 -0.05 0.20 0.00 0.00 0.00 175.10 174.99 2qt8 s ASN 62 N 1.54 4.79 -0.10 3.32 -0.87 0.75 -2.02 114.94 122.35 2qt8 s ASN 62 Ca -0.00 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.29 2qt8 s ASN 62 Cb -0.18 -1.32 -0.02 0.00 -0.02 0.00 0.00 41.25 39.71 2qt8 s ASN 62 CO -0.11 0.34 -0.10 0.12 -2.57 0.00 0.00 177.10 174.78 2qt8 s PHE 63 N -0.66 2.86 0.03 2.20 5.36 -0.17 -1.22 117.98 126.38 2qt8 s PHE 63 Ca 0.10 -0.29 0.03 0.00 -0.96 0.00 0.00 56.93 55.81 2qt8 s PHE 63 Cb -0.12 -1.78 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 2qt8 s PHE 63 CO 0.02 0.06 -0.10 -1.12 -1.46 0.00 0.00 175.22 172.62 2qt8 s SER 64 N -0.21 1.15 -0.22 6.13 0.01 -0.60 -0.53 113.70 119.43 2qt8 s SER 64 Ca 0.02 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 2qt8 s SER 64 Cb -0.13 -0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.12 2qt8 s SER 64 CO 0.03 -0.04 0.10 -2.28 0.41 0.00 0.00 173.24 171.46 2qt8 s HIS 65 N -0.84 0.38 -0.08 2.43 2.46 0.46 -1.63 115.29 118.47 2qt8 s HIS 65 Ca -0.02 -0.62 -0.00 0.00 0.47 0.00 0.00 55.06 54.89 2qt8 s HIS 65 Cb -0.07 -0.84 -0.03 0.00 -0.13 0.00 0.00 32.58 31.51 2qt8 s HIS 65 CO 0.01 -0.64 -0.05 0.08 -2.47 0.00 0.00 174.74 171.67 2qt8 s VAL 66 N 2.08 3.88 0.15 0.89 1.01 0.13 -1.00 120.40 127.54 2qt8 s VAL 66 Ca 0.04 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.72 2qt8 s VAL 66 Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2qt8 s VAL 66 CO -0.19 0.59 -0.21 -0.31 0.00 0.00 0.00 175.10 174.99 2qt8 s TYR 67 N -0.73 2.42 -0.12 5.22 1.51 -0.69 -0.73 117.35 124.24 2qt8 s TYR 67 Ca 0.11 -0.32 -0.27 0.00 -1.01 0.00 0.00 57.07 55.58 2qt8 s TYR 67 Cb -0.11 -1.25 0.07 0.00 -0.11 0.00 0.00 41.96 40.55 2qt8 s TYR 67 CO 0.02 0.43 0.65 0.20 -1.11 0.00 0.00 175.55 175.74 2qt8 s GLY 68 N -2.39 -0.52 -0.47 0.71 0.00 -0.86 -4.37 107.32 99.42 2qt8 s GLY 68 Ca 0.19 1.45 -0.17 0.00 0.00 0.00 0.00 44.72 46.19 2qt8 s GLY 68 CO 0.10 1.14 0.49 0.54 0.00 0.00 0.00 173.10 175.36 2qt8 s LYS 69 N -0.66 3.07 0.00 2.90 1.02 -1.26 -1.25 119.74 123.56 2qt8 s LYS 69 Ca -0.07 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 54.92 2qt8 s LYS 69 Cb -0.02 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 2qt8 s LYS 69 CO 0.06 -1.03 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 2qt8 n GLY 70 N 5.16 -2.42 3.85 -3.33 0.00 0.50 -4.95 105.19 104.00 2qt8 n GLY 70 Ca -0.09 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 2qt8 n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qt8 s LEU 71 N -2.77 3.26 0.00 0.99 1.43 -0.12 -4.84 118.68 116.64 2qt8 s LEU 71 Ca 0.00 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 2qt8 s LEU 71 Cb 0.00 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.73 2qt8 s LEU 71 CO 0.00 -1.04 0.00 -2.65 0.23 0.00 0.00 176.35 172.89 2qt8 n PRO 72 N -2.69 0.67 0.00 1.29 -0.02 -1.26 -4.93 135.00 128.05 2qt8 n PRO 72 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2qt8 n PRO 72 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2qt8 n PRO 72 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qt8 n SER 74 N 0.00 0.00 0.19 2.55 3.41 -1.26 -3.36 113.62 115.15 2qt8 n SER 74 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 2qt8 n SER 74 Cb 0.00 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 2qt8 n SER 74 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2qt8 h SER 75 N 0.00 0.00 1.33 4.04 0.02 -1.96 -3.36 113.55 113.62 2qt8 h SER 75 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2qt8 h SER 75 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2qt8 h SER 75 CO 0.00 0.00 -0.07 0.71 -1.14 0.00 0.00 176.83 176.33 2qt8 h THR 76 N 0.00 0.15 0.06 -2.27 1.35 -1.79 0.15 112.91 110.55 2qt8 h THR 76 Ca 0.00 -0.87 -0.25 0.00 -0.55 0.00 0.00 66.41 64.75 2qt8 h THR 76 Cb 0.66 1.76 0.01 0.00 -1.73 0.00 0.00 68.15 68.84 2qt8 h THR 76 CO 0.00 0.07 -1.07 1.05 -0.25 0.00 0.00 175.52 175.32 2qt8 h GLU 77 N 0.00 0.38 0.14 4.72 9.09 -1.93 -2.33 114.58 124.65 2qt8 h GLU 77 Ca -0.00 -0.48 -0.30 0.00 0.05 0.00 0.00 59.36 58.63 2qt8 h GLU 77 Cb 0.75 0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 2qt8 h GLU 77 CO 0.01 1.16 -1.43 -0.09 0.05 0.00 0.00 179.01 178.71 2qt8 h ARG 78 N 0.18 0.29 -2.10 1.06 2.43 -1.77 -3.41 114.38 111.06 2qt8 h ARG 78 Ca -0.11 -0.50 -0.57 0.00 -0.81 0.00 0.00 59.98 57.99 2qt8 h ARG 78 Cb 1.74 0.19 -0.41 0.00 -0.42 0.00 0.00 29.97 31.07 2qt8 h ARG 78 CO 0.18 1.19 -0.86 0.72 -1.51 0.00 0.00 179.97 179.70 2qt8 n HIS 79 N -3.51 1.74 0.15 2.20 8.25 0.03 -4.94 115.22 119.13 2qt8 n HIS 79 Ca -0.14 -3.87 -0.00 0.00 -0.26 0.00 0.00 57.72 53.45 2qt8 n HIS 79 Cb 1.04 -0.46 0.24 0.00 1.12 0.00 0.00 29.99 31.94 2qt8 n HIS 79 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qt8 h PRO 80 N 3.89 0.03 -0.16 -0.41 0.13 -1.64 -3.18 132.00 130.66 2qt8 h PRO 80 Ca 0.13 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.17 2qt8 h PRO 80 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2qt8 h PRO 80 CO 0.65 0.54 -0.22 0.38 -0.23 0.00 0.00 178.00 179.12 2qt8 h ASP 81 N 0.02 0.28 -0.45 1.44 -0.00 -1.92 -3.04 116.42 112.75 2qt8 h ASP 81 Ca -0.00 -0.08 -0.20 0.00 -0.00 0.00 0.00 57.03 56.74 2qt8 h ASP 81 Cb 0.92 -0.08 -0.12 0.00 -0.00 0.00 0.00 39.33 40.06 2qt8 h ASP 81 CO 0.07 0.51 0.06 2.30 -0.00 0.00 0.00 179.24 182.18 2qt8 n ILE 82 N -4.18 2.63 0.24 4.15 -5.35 -1.22 -4.72 119.36 110.91 2qt8 n ILE 82 Ca -0.01 -2.43 0.09 0.00 -0.27 0.00 0.00 62.75 60.13 2qt8 n ILE 82 Cb 0.35 -0.33 0.59 0.00 -1.74 0.00 0.00 39.64 38.50 2qt8 n ILE 82 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qt8 h ALA 83 N 1.21 1.35 -0.54 -1.28 0.00 -1.51 -2.48 119.26 116.01 2qt8 h ALA 83 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qt8 h ALA 83 Cb 1.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2qt8 h ALA 83 CO 0.49 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2qt8 n GLY 84 N -0.62 1.88 3.81 0.00 0.00 -1.26 -0.95 105.19 108.05 2qt8 n GLY 84 Ca -0.02 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2qt8 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt8 s ASN 86 N -2.01 6.93 0.06 0.00 0.01 -1.26 -0.37 114.94 118.30 2qt8 s ASN 86 Ca 0.59 2.41 -0.00 0.00 -0.71 0.00 0.00 52.86 55.15 2qt8 s ASN 86 Cb -0.12 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 2qt8 s ASN 86 CO 0.17 -0.49 -0.04 0.72 -1.51 0.00 0.00 177.10 175.95 2qt8 s PHE 87 N -0.13 0.58 -0.01 2.20 -0.71 -0.38 -0.79 117.98 118.74 2qt8 s PHE 87 Ca 0.55 -0.95 0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2qt8 s PHE 87 Cb -0.36 -0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 41.04 2qt8 s PHE 87 CO 0.40 -0.30 -0.15 -1.21 -1.34 0.00 0.00 175.22 172.63 2qt8 s GLU 88 N -3.54 1.23 0.24 1.99 2.02 -0.14 -2.03 118.70 118.48 2qt8 s GLU 88 Ca 0.05 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.54 2qt8 s GLU 88 Cb 0.05 -1.18 -0.05 0.00 0.10 0.00 0.00 34.13 33.05 2qt8 s GLU 88 CO -0.07 0.30 0.05 0.00 0.02 0.00 0.00 175.26 175.56 2qt8 s ALA 89 N -0.29 1.75 0.00 5.21 0.00 0.10 -1.04 121.76 127.50 2qt8 s ALA 89 Ca 0.04 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2qt8 s ALA 89 Cb -0.06 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.83 2qt8 s ALA 89 CO -0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2qt8 n GLY 91 N -0.44 2.95 3.48 0.00 0.00 -0.64 0.20 105.19 110.73 2qt8 n GLY 91 Ca -0.03 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 2qt8 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qt8 s VAL 92 N -2.00 3.41 -0.01 1.61 1.01 -0.08 -1.56 120.40 122.77 2qt8 s VAL 92 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.43 2qt8 s VAL 92 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2qt8 s VAL 92 CO 0.00 0.56 -0.05 -0.55 0.00 0.00 0.00 175.10 175.05 2qt8 s SER 93 N -0.23 0.69 -0.02 3.32 0.15 -0.36 -1.35 113.70 115.90 2qt8 s SER 93 Ca 0.02 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.47 2qt8 s SER 93 Cb -0.13 -0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.07 2qt8 s SER 93 CO 0.03 0.05 0.21 -1.48 1.20 0.00 0.00 173.24 173.25 2qt8 s LEU 94 N 0.03 1.23 -0.02 3.45 0.05 -0.35 -0.18 118.68 122.90 2qt8 s LEU 94 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.22 2qt8 s LEU 94 Cb -0.04 0.89 0.03 0.00 -2.05 0.00 0.00 46.19 45.02 2qt8 s LEU 94 CO -0.00 -0.33 0.02 -0.69 -0.55 0.00 0.00 176.35 174.80 2qt8 s VAL 95 N -1.03 -0.04 -0.18 1.48 1.01 -0.74 -1.98 120.40 118.92 2qt8 s VAL 95 Ca -0.11 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2qt8 s VAL 95 Cb -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.24 2qt8 s VAL 95 CO 0.02 0.09 -0.16 -0.63 0.00 0.00 0.00 175.10 174.42 2qt8 s ILE 96 N 0.97 2.46 -0.45 2.22 -1.09 -0.28 -1.57 121.20 123.48 2qt8 s ILE 96 Ca -0.08 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.49 2qt8 s ILE 96 Cb -0.12 -2.05 0.12 0.00 -1.58 0.00 0.00 42.46 38.83 2qt8 s ILE 96 CO -0.03 0.51 0.25 -1.00 -1.23 0.00 0.00 174.94 173.45 2qt8 s HIS 97 N 1.14 3.55 0.67 3.97 3.76 0.60 -2.08 115.29 126.90 2qt8 s HIS 97 Ca 0.01 -2.40 -0.16 0.00 -0.15 0.00 0.00 55.06 52.36 2qt8 s HIS 97 Cb -0.14 -3.25 0.01 0.00 1.11 0.00 0.00 32.58 30.30 2qt8 s HIS 97 CO -0.06 -0.96 1.16 -2.14 -0.85 0.00 0.00 174.74 171.88 2qt8 s PRO 98 N 1.00 2.61 0.08 8.40 0.02 -1.26 -1.66 135.00 144.18 2qt8 s PRO 98 Ca 0.09 1.58 -0.21 0.00 0.02 0.00 0.00 61.00 62.49 2qt8 s PRO 98 Cb -0.23 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.27 2qt8 s PRO 98 CO -0.04 -1.44 1.58 -0.22 -0.33 0.00 0.00 177.00 176.55 2qt8 h LYS 99 N 0.07 0.24 -6.10 5.54 3.64 -1.14 -3.41 116.57 115.41 2qt8 h LYS 99 Ca -0.48 -0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 58.27 2qt8 h LYS 99 Cb 1.27 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2qt8 h LYS 99 CO 0.53 0.37 0.82 1.21 -2.27 0.00 0.00 179.45 180.11 2qt8 s ASN 100 N -5.62 7.07 0.64 4.20 3.84 -1.26 -4.92 114.94 118.89 2qt8 s ASN 100 Ca -0.14 1.46 0.31 0.00 0.21 0.00 0.00 52.86 54.71 2qt8 s ASN 100 Cb 0.06 -2.54 1.70 0.00 -0.55 0.00 0.00 41.25 39.93 2qt8 s ASN 100 CO 0.70 -0.68 2.00 -0.65 -2.79 0.00 0.00 177.10 175.68 2qt8 h PRO 101 N 7.62 0.00 -0.00 0.43 0.11 -1.89 -0.99 132.00 137.28 2qt8 h PRO 101 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2qt8 h PRO 101 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qt8 h PRO 101 CO 0.97 0.00 -0.00 0.72 -0.21 0.00 0.00 178.00 179.48 2qt8 n HIS 102 N -3.20 0.00 -3.71 0.65 8.25 -1.26 -3.64 115.22 112.31 2qt8 n HIS 102 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2qt8 n HIS 102 Cb 0.39 -0.14 -0.12 0.00 1.12 0.00 0.00 29.99 31.23 2qt8 n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qt8 s VAL 103 N -2.29 4.67 0.62 1.59 1.01 -0.38 -4.82 120.40 120.80 2qt8 s VAL 103 Ca 0.38 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 2qt8 s VAL 103 Cb 0.21 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2qt8 s VAL 103 CO 0.42 0.31 1.28 -2.84 0.00 0.00 0.00 175.10 174.27 2qt8 s PRO 104 N 1.61 2.75 0.63 2.72 0.02 -1.26 -4.62 135.00 136.85 2qt8 s PRO 104 Ca 0.06 2.03 -0.17 0.00 0.02 0.00 0.00 61.00 62.94 2qt8 s PRO 104 Cb -0.15 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 2qt8 s PRO 104 CO 0.06 -1.43 1.19 0.99 -0.33 0.00 0.00 177.00 177.47 2qt8 s THR 105 N -1.43 2.68 0.09 0.99 2.01 -0.37 -4.62 115.64 114.99 2qt8 s THR 105 Ca 0.80 0.39 -0.05 0.00 0.31 0.00 0.00 61.69 63.14 2qt8 s THR 105 Cb -0.36 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 2qt8 s THR 105 CO 0.39 -0.13 0.10 -0.94 -0.69 0.00 0.00 174.62 173.35 2qt8 s SER 106 N -1.84 0.28 -0.00 3.53 1.04 -0.89 -0.56 113.70 115.26 2qt8 s SER 106 Ca 0.75 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 2qt8 s SER 106 Cb -0.28 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.12 2qt8 s SER 106 CO 0.36 -0.69 0.04 -2.28 0.98 0.00 0.00 173.24 171.65 2qt8 s HIS 107 N -3.92 0.06 0.07 5.02 5.65 -0.96 -1.12 115.29 120.09 2qt8 s HIS 107 Ca 0.09 -0.11 -0.10 0.00 0.25 0.00 0.00 55.06 55.20 2qt8 s HIS 107 Cb 0.06 -0.06 0.00 0.00 -1.18 0.00 0.00 32.58 31.41 2qt8 s HIS 107 CO -0.08 -0.12 0.21 0.00 -0.65 0.00 0.00 174.74 174.10 2qt8 s ALA 108 N -0.64 -0.35 -0.21 1.58 0.00 -0.84 -1.30 121.76 120.00 2qt8 s ALA 108 Ca -0.07 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 2qt8 s ALA 108 Cb -0.04 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.54 2qt8 s ALA 108 CO -0.00 -0.45 0.55 1.21 0.00 0.00 0.00 175.76 177.06 2qt8 s ASN 109 N -2.51 -0.58 -0.02 0.00 2.47 -0.12 -1.21 114.94 112.97 2qt8 s ASN 109 Ca 0.00 1.11 0.00 0.00 0.42 0.00 0.00 52.86 54.39 2qt8 s ASN 109 Cb 0.02 1.12 0.03 0.00 -1.45 0.00 0.00 41.25 40.96 2qt8 s ASN 109 CO -0.08 -0.19 0.02 0.68 -3.72 0.00 0.00 177.10 173.81 2qt8 s VAL 110 N 0.37 0.03 0.12 -5.21 -7.23 -0.46 -0.72 120.40 107.31 2qt8 s VAL 110 Ca -0.01 0.15 -0.13 0.00 -1.81 0.00 0.00 61.98 60.19 2qt8 s VAL 110 Cb -0.04 -0.14 0.02 0.00 0.56 0.00 0.00 36.38 36.77 2qt8 s VAL 110 CO -0.00 0.10 0.32 0.00 -0.31 0.00 0.00 175.10 175.21 2qt8 s ARG 111 N 0.94 1.03 -0.01 4.82 1.70 -0.13 -0.90 118.95 126.40 2qt8 s ARG 111 Ca -0.08 -0.87 0.01 0.00 -0.47 0.00 0.00 55.73 54.31 2qt8 s ARG 111 Cb -0.12 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 2qt8 s ARG 111 CO -0.02 -0.38 -0.02 -1.17 -1.08 0.00 0.00 175.30 172.63 2qt8 s LEU 112 N -2.85 1.82 -0.05 -1.89 2.96 -1.26 -1.39 118.68 116.01 2qt8 s LEU 112 Ca 0.06 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.99 2qt8 s LEU 112 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 2qt8 s LEU 112 CO -0.09 0.00 -0.25 0.12 -1.32 0.00 0.00 176.35 174.81 2qt8 s PHE 113 N 0.18 2.38 -0.04 5.38 5.36 -0.41 -4.35 117.98 126.47 2qt8 s PHE 113 Ca -0.01 -0.69 0.01 0.00 -0.96 0.00 0.00 56.93 55.27 2qt8 s PHE 113 Cb -0.04 -1.56 0.02 0.00 -0.34 0.00 0.00 43.02 41.11 2qt8 s PHE 113 CO -0.00 -0.20 -0.02 0.08 -1.46 0.00 0.00 175.22 173.61 2qt8 s VAL 114 N -0.18 0.40 -0.12 3.12 1.01 -0.20 -1.75 120.40 122.67 2qt8 s VAL 114 Ca -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2qt8 s VAL 114 Cb -0.13 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2qt8 s VAL 114 CO 0.03 0.20 -0.21 0.00 0.00 0.00 0.00 175.10 175.12 2qt8 s ALA 115 N 1.05 2.11 0.15 5.51 0.00 0.60 -0.96 121.76 130.20 2qt8 s ALA 115 Ca -0.09 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 2qt8 s ALA 115 Cb -0.14 -0.92 -0.07 0.00 0.00 0.00 0.00 23.12 22.00 2qt8 s ALA 115 CO -0.01 0.03 0.97 -2.00 0.00 0.00 0.00 175.76 174.74 2qt8 s GLU 116 N 0.75 4.73 -0.06 0.00 2.12 0.03 -1.08 118.70 125.19 2qt8 s GLU 116 Ca -0.09 1.49 0.05 0.00 0.36 0.00 0.00 54.97 56.77 2qt8 s GLU 116 Cb -0.16 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2qt8 s GLU 116 CO 0.00 0.27 -0.22 1.03 -0.54 0.00 0.00 175.26 175.81 2qt8 s ARG 117 N -0.32 2.35 -0.12 4.30 0.52 -1.26 -4.06 118.95 120.37 2qt8 s ARG 117 Ca 0.46 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.58 2qt8 s ARG 117 Cb -0.24 -1.97 -0.06 0.00 0.52 0.00 0.00 34.95 33.19 2qt8 s ARG 117 CO 0.31 0.31 2.10 -2.00 0.02 0.00 0.00 175.30 176.03 2qt8 s GLU 118 N -0.02 3.55 -1.14 3.54 2.56 -1.26 -2.52 118.70 123.41 2qt8 s GLU 118 Ca -0.06 2.25 0.00 0.00 0.00 0.00 0.00 54.97 57.16 2qt8 s GLU 118 Cb -0.14 -4.28 0.00 0.00 2.00 0.00 0.00 34.13 31.71 2qt8 s GLU 118 CO 0.04 -1.62 0.00 0.41 -0.56 0.00 0.00 175.26 173.53 2qt8 n GLY 119 N 5.24 1.21 3.15 -1.50 0.00 -1.26 -5.00 105.19 107.03 2qt8 n GLY 119 Ca 0.25 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2qt8 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt8 s LYS 120 N -2.90 0.84 0.52 1.61 3.01 -1.05 -5.14 119.74 116.63 2qt8 s LYS 120 Ca 0.00 -1.31 -0.22 0.00 -1.01 0.00 0.00 55.97 53.43 2qt8 s LYS 120 Cb 0.00 0.25 -0.06 0.00 -1.01 0.00 0.00 37.83 37.02 2qt8 s LYS 120 CO 0.00 -0.23 1.25 -1.21 0.51 0.00 0.00 175.35 175.67 2qt8 s GLU 121 N -3.99 3.37 0.71 1.68 0.41 -1.26 -4.36 118.70 115.26 2qt8 s GLU 121 Ca 0.17 1.97 -0.16 0.00 -0.41 0.00 0.00 54.97 56.54 2qt8 s GLU 121 Cb 0.07 -2.26 0.03 0.00 -1.78 0.00 0.00 34.13 30.19 2qt8 s GLU 121 CO -0.03 -0.93 1.22 -1.25 -0.49 0.00 0.00 175.26 173.78 2qt8 s PRO 122 N -2.90 2.23 0.08 0.39 0.04 -1.26 -4.61 135.00 128.97 2qt8 s PRO 122 Ca 0.69 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 2qt8 s PRO 122 Cb -0.34 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2qt8 s PRO 122 CO 0.40 -1.78 0.47 0.54 0.04 0.00 0.00 177.00 176.67 2qt8 s VAL 123 N -1.87 4.95 0.05 -0.36 0.11 -0.24 -4.94 120.40 118.09 2qt8 s VAL 123 Ca 0.76 0.77 -0.21 0.00 -2.93 0.00 0.00 61.98 60.37 2qt8 s VAL 123 Cb -0.31 -3.72 0.05 0.00 -1.53 0.00 0.00 36.38 30.87 2qt8 s VAL 123 CO 0.44 0.38 0.48 -1.66 -3.33 0.00 0.00 175.10 171.41 2qt8 s TRP 124 N -1.30 -0.37 0.02 1.54 1.48 -1.26 -0.30 118.94 118.75 2qt8 s TRP 124 Ca 0.32 0.38 -0.28 0.00 -1.06 0.00 0.00 56.10 55.45 2qt8 s TRP 124 Cb -0.16 0.30 0.08 0.00 -1.16 0.00 0.00 33.47 32.53 2qt8 s TRP 124 CO 0.17 -0.62 0.69 1.67 -4.06 0.00 0.00 176.95 174.81 2qt8 s TRP 125 N -2.47 -0.57 0.25 1.66 -2.14 -0.72 -4.70 118.94 110.25 2qt8 s TRP 125 Ca -0.05 0.75 0.05 0.00 2.66 0.00 0.00 56.10 59.51 2qt8 s TRP 125 Cb -0.01 0.47 -0.03 0.00 -3.10 0.00 0.00 33.47 30.81 2qt8 s TRP 125 CO -0.02 -0.67 0.37 -0.06 -2.66 0.00 0.00 176.95 173.91 2qt8 s PHE 126 N -2.20 3.42 0.19 1.66 0.40 -0.33 -1.29 117.98 119.84 2qt8 s PHE 126 Ca -0.05 -0.04 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 2qt8 s PHE 126 Cb -0.00 -1.60 -0.00 0.00 0.51 0.00 0.00 43.02 41.92 2qt8 s PHE 126 CO 0.00 0.40 0.37 0.20 0.70 0.00 0.00 175.22 176.90 2qt8 s GLY 127 N -3.99 0.41 0.00 4.36 0.00 -0.48 -1.33 107.32 106.29 2qt8 s GLY 127 Ca 0.35 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2qt8 s GLY 127 CO 0.29 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.31 2qt8 n GLY 128 N -0.28 0.26 0.00 0.20 0.00 -0.31 -0.95 105.19 104.10 2qt8 n GLY 128 Ca -0.06 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2qt8 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 129 N 0.00 0.97 3.28 -0.02 0.00 0.10 -1.15 105.19 108.36 2qt8 n GLY 129 Ca 0.00 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 2qt8 n GLY 129 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qt8 s PHE 130 N -1.45 -0.03 0.14 1.61 -0.12 -0.76 -0.95 117.98 116.42 2qt8 s PHE 130 Ca 0.00 -0.34 -0.21 0.00 -0.05 0.00 0.00 56.93 56.33 2qt8 s PHE 130 Cb 0.00 0.12 0.06 0.00 -0.63 0.00 0.00 43.02 42.57 2qt8 s PHE 130 CO 0.00 -0.65 0.54 0.16 -0.05 0.00 0.00 175.22 175.22 2qt8 s ASP 131 N -2.84 -0.46 -0.08 1.98 1.47 -0.42 -0.96 116.67 115.36 2qt8 s ASP 131 Ca 0.05 -0.07 0.05 0.00 1.18 0.00 0.00 52.55 53.75 2qt8 s ASP 131 Cb 0.03 0.55 -0.01 0.00 -0.34 0.00 0.00 42.92 43.16 2qt8 s ASP 131 CO -0.11 -0.91 -0.23 -0.22 0.68 0.00 0.00 175.17 174.38 2qt8 s LEU 132 N -2.69 2.18 -0.61 2.11 2.96 -0.93 -2.25 118.68 119.45 2qt8 s LEU 132 Ca 0.01 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 2qt8 s LEU 132 Cb -0.00 -1.42 0.16 0.00 0.50 0.00 0.00 46.19 45.43 2qt8 s LEU 132 CO -0.12 0.21 0.42 -0.89 -1.32 0.00 0.00 176.35 174.65 2qt8 s THR 133 N 0.03 2.31 0.83 3.68 2.01 0.27 -1.48 115.64 123.31 2qt8 s THR 133 Ca -0.09 -3.74 -0.12 0.00 0.31 0.00 0.00 61.69 58.05 2qt8 s THR 133 Cb -0.15 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 69.90 2qt8 s THR 133 CO 0.06 -1.01 1.10 -2.16 -0.69 0.00 0.00 174.62 171.92 2qt8 s PRO 134 N -0.90 1.82 0.00 4.92 0.04 -1.26 -1.24 135.00 138.39 2qt8 s PRO 134 Ca 0.24 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 61.89 2qt8 s PRO 134 Cb -0.08 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2qt8 s PRO 134 CO -0.13 -1.80 -0.09 0.66 0.04 0.00 0.00 177.00 175.67 2qt8 n TYR 135 N -3.56 0.00 -3.55 0.56 4.01 -1.26 -4.85 117.16 108.50 2qt8 n TYR 135 Ca 0.07 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.41 2qt8 n TYR 135 Cb 0.56 -0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.38 2qt8 n TYR 135 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2qt8 s TYR 136 N -2.21 3.78 0.64 -0.72 2.02 -1.24 -4.76 117.35 114.85 2qt8 s TYR 136 Ca -0.08 -2.67 -0.15 0.00 -0.37 0.00 0.00 57.07 53.80 2qt8 s TYR 136 Cb 0.02 -3.44 -0.01 0.00 -0.40 0.00 0.00 41.96 38.13 2qt8 s TYR 136 CO 0.12 -0.85 1.08 0.00 -1.57 0.00 0.00 175.55 174.33 2qt8 s ALA 137 N -0.65 2.59 -0.08 3.71 0.00 -1.26 -4.83 121.76 121.24 2qt8 s ALA 137 Ca 0.23 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.64 2qt8 s ALA 137 Cb -0.12 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2qt8 s ALA 137 CO -0.08 -1.11 -0.13 0.08 0.00 0.00 0.00 175.76 174.52 2qt8 s VAL 138 N -2.48 1.22 0.19 0.00 1.01 -1.26 -5.05 120.40 114.03 2qt8 s VAL 138 Ca 0.64 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 2qt8 s VAL 138 Cb -0.18 -1.12 0.14 0.00 0.00 0.00 0.00 36.38 35.22 2qt8 s VAL 138 CO 0.42 0.38 1.60 -0.08 0.00 0.00 0.00 175.10 177.41 2qt8 h GLU 139 N 7.12 -0.13 -0.67 2.72 4.57 -2.00 -1.68 114.58 124.50 2qt8 h GLU 139 Ca -0.30 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.87 2qt8 h GLU 139 Cb 1.18 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 2qt8 h GLU 139 CO 0.47 -0.09 0.34 1.49 -1.18 0.00 0.00 179.01 180.04 2qt8 h GLU 140 N -0.14 0.93 -0.38 1.92 4.81 -1.99 -1.52 114.58 118.21 2qt8 h GLU 140 Ca 0.24 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 2qt8 h GLU 140 Cb 0.53 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2qt8 h GLU 140 CO -0.65 0.70 -0.06 -0.44 -0.73 0.00 0.00 179.01 177.83 2qt8 h ASP 141 N 0.94 0.71 -0.40 1.04 3.32 -1.76 -0.43 116.42 119.84 2qt8 h ASP 141 Ca 0.23 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2qt8 h ASP 141 Cb 0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2qt8 h ASP 141 CO -0.03 0.89 0.21 0.00 -1.72 0.00 0.00 179.24 178.59 2qt8 h ARG 143 N 0.51 0.22 -0.61 0.00 2.43 -1.21 -2.16 114.38 113.55 2qt8 h ARG 143 Ca 0.14 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2qt8 h ARG 143 Cb 0.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2qt8 h ARG 143 CO -0.02 0.17 0.35 -0.44 -1.51 0.00 0.00 179.97 178.52 2qt8 h ASP 144 N 0.20 0.75 -0.28 -3.80 3.32 -0.88 0.12 116.42 115.85 2qt8 h ASP 144 Ca 0.06 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2qt8 h ASP 144 Cb 0.01 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2qt8 h ASP 144 CO -0.01 0.62 0.08 0.15 -1.72 0.00 0.00 179.24 178.35 2qt8 h PHE 145 N 0.83 0.13 0.00 4.55 3.57 -0.88 -1.12 116.94 124.02 2qt8 h PHE 145 Ca 0.22 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 2qt8 h PHE 145 Cb 0.02 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2qt8 h PHE 145 CO -0.01 0.05 -0.52 0.45 -2.23 0.00 0.00 178.31 176.04 2qt8 h HIS 146 N 0.19 0.00 -0.53 0.41 3.86 -1.08 -2.64 115.15 115.36 2qt8 h HIS 146 Ca 0.13 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.22 2qt8 h HIS 146 Cb 0.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 2qt8 h HIS 146 CO -0.15 0.52 -0.10 0.37 0.86 0.00 0.00 177.93 179.44 2qt8 h GLN 147 N 0.00 1.01 -0.52 2.45 5.75 -0.22 0.14 115.11 123.73 2qt8 h GLN 147 Ca -0.01 -0.37 -0.01 0.00 -0.15 0.00 0.00 58.65 58.11 2qt8 h GLN 147 Cb 0.93 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 2qt8 h GLN 147 CO 0.07 1.06 0.29 0.28 -2.65 0.00 0.00 178.83 177.88 2qt8 h VAL 148 N 0.88 1.17 -0.40 2.39 2.07 -1.16 0.33 116.25 121.52 2qt8 h VAL 148 Ca 0.14 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2qt8 h VAL 148 Cb 0.67 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2qt8 h VAL 148 CO 0.05 0.18 0.21 0.00 0.02 0.00 0.00 177.57 178.03 2qt8 h ALA 149 N 1.13 0.52 -0.22 1.67 0.00 -1.18 -2.00 119.26 119.17 2qt8 h ALA 149 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2qt8 h ALA 149 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2qt8 h ALA 149 CO -0.03 0.05 0.07 0.37 0.00 0.00 0.00 179.25 179.70 2qt8 h GLN 150 N 0.52 0.35 -0.96 0.00 4.15 -0.51 -3.00 115.11 115.65 2qt8 h GLN 150 Ca 0.14 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.49 2qt8 h GLN 150 Cb 0.07 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 2qt8 h GLN 150 CO -0.02 0.45 0.63 -0.44 -1.93 0.00 0.00 178.83 177.52 2qt8 h ASP 151 N 0.19 1.12 0.68 -0.69 3.32 -0.83 -2.23 116.42 117.97 2qt8 h ASP 151 Ca 0.07 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2qt8 h ASP 151 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2qt8 h ASP 151 CO -0.00 0.82 -0.32 0.17 -1.72 0.00 0.00 179.24 178.18 2qt8 h LEU 152 N 1.31 0.00 -0.12 1.55 8.10 -1.32 -2.92 115.31 121.91 2qt8 h LEU 152 Ca 0.35 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.21 2qt8 h LEU 152 Cb -0.14 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.06 2qt8 h LEU 152 CO -0.07 0.32 -0.63 0.00 -4.11 0.00 0.00 178.44 173.94 2qt8 h LYS 154 N 0.00 0.27 0.00 0.00 1.57 -1.27 -0.17 116.57 116.97 2qt8 h LYS 154 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qt8 h LYS 154 Cb 1.44 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.69 2qt8 h LYS 154 CO 0.08 0.18 0.00 -2.30 -0.57 0.00 0.00 179.45 176.84 2qt8 n PRO 155 N -5.13 0.16 -0.00 3.15 -0.02 -1.26 -3.02 135.00 128.88 2qt8 n PRO 155 Ca 0.10 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.28 2qt8 n PRO 155 Cb 0.36 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 2qt8 n PRO 155 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qt8 n PHE 156 N -2.28 0.00 0.00 6.00 3.72 -0.08 -5.04 117.46 119.77 2qt8 n PHE 156 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2qt8 n PHE 156 Cb 0.07 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 2qt8 n PHE 156 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qt8 n GLY 157 N 1.43 3.78 0.22 1.37 0.00 -1.17 -4.95 105.19 105.88 2qt8 n GLY 157 Ca 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.41 2qt8 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qt8 h ALA 158 N 0.00 1.34 -0.30 4.61 0.00 -1.88 -3.07 119.26 119.95 2qt8 h ALA 158 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qt8 h ALA 158 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qt8 h ALA 158 CO 0.00 0.31 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 2qt8 n ASP 159 N -3.88 2.95 0.00 0.00 5.75 -1.26 -4.66 116.55 115.45 2qt8 n ASP 159 Ca -0.02 -1.87 -0.12 0.00 -0.01 0.00 0.00 54.79 52.77 2qt8 n ASP 159 Cb 0.34 -0.19 -0.08 0.00 -1.03 0.00 0.00 41.12 40.15 2qt8 n ASP 159 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2qt8 h VAL 160 N 3.14 1.21 -0.16 2.12 2.07 -1.85 -0.86 116.25 121.92 2qt8 h VAL 160 Ca 0.00 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.89 2qt8 h VAL 160 Cb 0.78 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2qt8 h VAL 160 CO 0.00 0.17 0.08 0.22 0.02 0.00 0.00 177.57 178.07 2qt8 h TYR 161 N -0.21 0.16 -0.56 1.57 3.20 -1.83 -1.63 116.97 117.67 2qt8 h TYR 161 Ca 0.01 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.96 2qt8 h TYR 161 Cb 0.27 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 2qt8 h TYR 161 CO 0.02 0.09 0.23 0.00 -1.64 0.00 0.00 178.16 176.86 2qt8 h ALA 162 N 1.08 0.72 0.06 1.82 0.00 -1.83 0.26 119.26 121.36 2qt8 h ALA 162 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qt8 h ALA 162 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qt8 h ALA 162 CO -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.03 2qt8 h ARG 163 N 0.44 -0.08 0.00 0.00 3.08 -0.94 -1.99 114.38 114.89 2qt8 h ARG 163 Ca 0.27 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 2qt8 h ARG 163 Cb 0.27 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2qt8 h ARG 163 CO -0.24 0.11 -0.54 0.74 -1.07 0.00 0.00 179.97 178.97 2qt8 h PHE 164 N -0.25 0.00 -0.14 3.04 0.04 -1.08 -0.96 116.94 117.59 2qt8 h PHE 164 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2qt8 h PHE 164 Cb 0.22 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 2qt8 h PHE 164 CO -0.02 0.33 -0.06 -0.22 -0.60 0.00 0.00 178.31 177.74 2qt8 h LYS 165 N 0.00 0.30 -0.56 1.51 3.11 -0.55 -0.73 116.57 119.65 2qt8 h LYS 165 Ca -0.02 -0.12 0.02 0.00 -2.81 0.00 0.00 60.65 57.71 2qt8 h LYS 165 Cb 1.27 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.46 2qt8 h LYS 165 CO 0.04 0.61 0.35 0.78 -2.81 0.00 0.00 179.45 178.42 2qt8 h GLY 166 N -0.03 0.79 1.01 5.01 0.00 -1.27 -1.66 103.07 106.91 2qt8 h GLY 166 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2qt8 h GLY 166 CO 0.02 0.25 0.50 -0.25 0.00 0.00 0.00 176.54 177.06 2qt8 h TRP 167 N 0.71 1.00 -0.55 5.60 2.91 -1.18 -1.07 115.95 123.37 2qt8 h TRP 167 Ca 0.22 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.29 2qt8 h TRP 167 Cb -0.03 -0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 28.25 2qt8 h TRP 167 CO -0.05 0.64 0.31 0.00 -1.03 0.00 0.00 178.44 178.31 2qt8 h ASP 169 N 0.60 1.03 -0.26 0.00 3.32 -0.56 -1.65 116.42 118.91 2qt8 h ASP 169 Ca 0.23 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 2qt8 h ASP 169 Cb 0.08 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 2qt8 h ASP 169 CO -0.13 0.87 -0.42 -0.33 -1.72 0.00 0.00 179.24 177.51 2qt8 h GLU 170 N 1.13 0.75 0.00 3.56 5.08 -0.73 -3.36 114.58 121.01 2qt8 h GLU 170 Ca 0.28 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2qt8 h GLU 170 Cb 0.10 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2qt8 h GLU 170 CO -0.04 1.08 -0.00 -0.92 -1.00 0.00 0.00 179.01 178.13 2qt8 h TYR 171 N 0.49 -0.00 -1.16 4.33 3.20 -0.72 -3.36 116.97 119.75 2qt8 h TYR 171 Ca 0.02 -0.00 -0.75 0.00 3.14 0.00 0.00 58.73 61.14 2qt8 h TYR 171 Cb 1.02 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.16 2qt8 h TYR 171 CO 0.08 0.65 2.26 1.19 -1.64 0.00 0.00 178.16 180.70 2qt8 n PHE 172 N -4.78 2.90 -3.85 -3.82 3.72 -0.64 -4.86 117.46 106.13 2qt8 n PHE 172 Ca -0.09 -2.82 -0.13 0.00 -0.05 0.00 0.00 57.45 54.37 2qt8 n PHE 172 Cb 0.32 -2.00 -0.14 0.00 -0.94 0.00 0.00 39.48 36.72 2qt8 n PHE 172 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2qt8 s PHE 173 N 0.41 0.01 -0.62 1.38 5.36 -1.26 -1.37 117.98 121.89 2qt8 s PHE 173 Ca 0.44 0.03 -0.12 0.00 -0.96 0.00 0.00 56.93 56.32 2qt8 s PHE 173 Cb 0.12 -0.06 0.16 0.00 -0.34 0.00 0.00 43.02 42.90 2qt8 s PHE 173 CO -0.02 -0.02 0.53 0.42 -1.46 0.00 0.00 175.22 174.67 2qt8 s ILE 174 N 0.26 4.89 0.23 3.12 1.01 0.64 -4.93 121.20 126.44 2qt8 s ILE 174 Ca -0.02 -2.03 -0.07 0.00 0.00 0.00 0.00 60.65 58.52 2qt8 s ILE 174 Cb -0.03 -4.12 0.21 0.00 0.01 0.00 0.00 42.46 38.52 2qt8 s ILE 174 CO -0.01 -0.89 1.89 -0.65 0.00 0.00 0.00 174.94 175.28 2qt8 h PRO 175 N 8.23 1.09 0.00 2.79 0.11 -1.97 -0.61 132.00 141.64 2qt8 h PRO 175 Ca -0.12 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2qt8 h PRO 175 Cb 1.06 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2qt8 h PRO 175 CO 0.87 0.72 0.00 2.48 -0.21 0.00 0.00 178.00 181.86 2qt8 n TYR 176 N -4.52 0.67 0.40 0.65 0.18 -1.26 -1.47 117.16 111.82 2qt8 n TYR 176 Ca 0.10 0.26 0.06 0.00 1.88 0.00 0.00 57.90 60.20 2qt8 n TYR 176 Cb 0.06 -0.92 0.06 0.00 -0.38 0.00 0.00 39.34 38.16 2qt8 n TYR 176 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qt8 n ARG 177 N -2.11 0.75 -3.98 -3.48 1.74 -0.84 -5.01 116.66 103.72 2qt8 n ARG 177 Ca 0.02 -1.24 -0.27 0.00 -0.77 0.00 0.00 57.85 55.59 2qt8 n ARG 177 Cb 0.22 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 2qt8 n ARG 177 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2qt8 n ASN 178 N 0.61 -0.66 -3.73 0.55 5.15 -0.30 -4.96 115.26 111.92 2qt8 n ASN 178 Ca 0.07 -1.05 -0.13 0.00 -0.60 0.00 0.00 54.58 52.86 2qt8 n ASN 178 Cb 0.29 -2.84 -0.14 0.00 -0.53 0.00 0.00 39.78 36.56 2qt8 n ASN 178 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2qt8 s GLU 179 N -6.65 0.15 0.59 1.20 2.12 -1.00 -5.01 118.70 110.11 2qt8 s GLU 179 Ca 0.06 0.48 -0.18 0.00 0.36 0.00 0.00 54.97 55.69 2qt8 s GLU 179 Cb -0.02 -0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.19 2qt8 s GLU 179 CO 0.90 -0.18 1.18 0.00 -0.54 0.00 0.00 175.26 176.63 2qt8 s ALA 180 N 1.33 2.55 0.18 6.30 0.00 -1.26 -0.26 121.76 130.60 2qt8 s ALA 180 Ca -0.08 0.92 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 2qt8 s ALA 180 Cb -0.11 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.67 2qt8 s ALA 180 CO -0.08 -1.11 1.48 -0.09 0.00 0.00 0.00 175.76 175.97 2qt8 h ARG 181 N 0.84 0.60 0.00 0.00 2.43 -1.58 -3.46 114.38 113.21 2qt8 h ARG 181 Ca -0.50 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.29 2qt8 h ARG 181 Cb 1.28 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2qt8 h ARG 181 CO 0.55 1.00 0.00 0.41 -1.51 0.00 0.00 179.97 180.42 2qt8 n GLY 182 N 0.29 3.56 0.82 2.80 0.00 -1.26 -4.82 105.19 106.58 2qt8 n GLY 182 Ca -0.03 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.19 2qt8 n GLY 182 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qt8 n ILE 183 N 0.00 0.33 -0.67 -0.61 -6.64 -0.55 -4.77 119.36 106.46 2qt8 n ILE 183 Ca 0.00 -0.52 0.00 0.00 -1.77 0.00 0.00 62.75 60.46 2qt8 n ILE 183 Cb 0.00 0.67 0.00 0.00 -1.44 0.00 0.00 39.64 38.87 2qt8 n ILE 183 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2qt8 n GLY 184 N 1.30 -0.90 0.00 3.28 0.00 -1.25 -4.92 105.19 102.70 2qt8 n GLY 184 Ca 0.17 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2qt8 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qt8 n GLY 185 N 0.00 0.15 3.24 -0.02 0.00 -1.26 -2.18 105.19 105.12 2qt8 n GLY 185 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 2qt8 n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qt8 s LEU 186 N 0.00 2.16 -0.09 0.99 1.43 -0.13 -3.95 118.68 119.09 2qt8 s LEU 186 Ca 0.00 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 2qt8 s LEU 186 Cb 0.00 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.30 2qt8 s LEU 186 CO 0.00 0.16 0.22 0.12 0.23 0.00 0.00 176.35 177.08 2qt8 s PHE 187 N -0.78 -0.27 0.03 0.29 5.36 -0.37 -1.84 117.98 120.41 2qt8 s PHE 187 Ca 0.07 0.66 -0.15 0.00 -0.96 0.00 0.00 56.93 56.56 2qt8 s PHE 187 Cb -0.09 0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.66 2qt8 s PHE 187 CO 0.02 -0.18 0.32 -0.59 -1.46 0.00 0.00 175.22 173.33 2qt8 s PHE 188 N 0.78 -0.14 0.22 10.12 -0.71 -0.30 -4.38 117.98 123.57 2qt8 s PHE 188 Ca -0.05 0.07 -0.13 0.00 -1.04 0.00 0.00 56.93 55.78 2qt8 s PHE 188 Cb -0.07 0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.85 2qt8 s PHE 188 CO -0.05 -0.49 0.44 0.34 -1.34 0.00 0.00 175.22 174.13 2qt8 s ASP 189 N -1.88 -0.10 -1.34 1.98 -1.08 -1.26 -1.17 116.67 111.82 2qt8 s ASP 189 Ca -0.07 -0.81 -0.08 0.00 -0.52 0.00 0.00 52.55 51.07 2qt8 s ASP 189 Cb -0.02 0.55 0.05 0.00 -1.46 0.00 0.00 42.92 42.05 2qt8 s ASP 189 CO -0.01 -1.06 0.51 0.47 0.52 0.00 0.00 175.17 175.59 2qt8 n ASP 190 N -0.33 -4.30 -4.56 -0.34 8.00 -1.12 -4.87 116.55 109.02 2qt8 n ASP 190 Ca -0.05 -0.35 -0.42 0.00 0.71 0.00 0.00 54.79 54.68 2qt8 n ASP 190 Cb 0.62 -3.53 -0.03 0.00 -0.02 0.00 0.00 41.12 38.16 2qt8 n ASP 190 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qt8 s LEU 191 N -6.52 3.45 0.00 0.64 2.96 -0.44 -4.66 118.68 114.11 2qt8 s LEU 191 Ca 0.37 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2qt8 s LEU 191 Cb -0.19 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.58 2qt8 s LEU 191 CO 0.45 -1.57 0.58 -0.46 -1.32 0.00 0.00 176.35 174.03 2qt8 n ASN 192 N 8.62 0.00 0.15 3.68 0.23 -1.26 -1.18 115.26 125.50 2qt8 n ASN 192 Ca 0.06 -1.28 0.02 0.00 -0.53 0.00 0.00 54.58 52.85 2qt8 n ASN 192 Cb 0.49 -0.06 0.14 0.00 -2.08 0.00 0.00 39.78 38.27 2qt8 n ASN 192 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2qt8 h GLU 193 N 0.00 0.00 -6.67 -3.83 4.11 -1.96 -3.44 114.58 102.79 2qt8 h GLU 193 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.97 2qt8 h GLU 193 Cb 1.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.39 2qt8 h GLU 193 CO 0.00 0.52 -0.11 -1.58 0.07 0.00 0.00 179.01 177.91 2qt8 s TRP 194 N -3.20 3.28 0.70 2.06 0.51 -1.26 -5.07 118.94 115.96 2qt8 s TRP 194 Ca 0.02 0.27 -0.16 0.00 -2.12 0.00 0.00 56.10 54.10 2qt8 s TRP 194 Cb 0.09 -2.23 -0.01 0.00 -0.81 0.00 0.00 33.47 30.51 2qt8 s TRP 194 CO 0.73 -0.26 0.89 -2.30 -0.51 0.00 0.00 176.95 175.50 2qt8 n PRO 195 N -2.02 0.52 -0.22 4.98 -0.02 -1.26 -4.70 135.00 132.28 2qt8 n PRO 195 Ca 0.00 0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.73 2qt8 n PRO 195 Cb 0.57 -2.14 0.12 0.00 -0.02 0.00 0.00 33.50 32.03 2qt8 n PRO 195 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2qt8 h PHE 196 N -0.17 -0.00 -0.70 6.00 3.57 -1.98 -1.76 116.94 121.91 2qt8 h PHE 196 Ca -0.47 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 2qt8 h PHE 196 Cb 1.34 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 40.15 2qt8 h PHE 196 CO 0.38 -0.17 0.34 0.93 -2.23 0.00 0.00 178.31 177.57 2qt8 h GLU 197 N 0.13 0.99 -0.33 1.11 4.39 -1.99 0.75 114.58 119.65 2qt8 h GLU 197 Ca 0.35 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 2qt8 h GLU 197 Cb 0.57 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2qt8 h GLU 197 CO -0.55 0.76 -0.03 -0.22 -1.16 0.00 0.00 179.01 177.81 2qt8 h LYS 198 N 0.99 0.60 -0.79 2.33 3.64 -1.69 0.46 116.57 122.10 2qt8 h LYS 198 Ca 0.24 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2qt8 h LYS 198 Cb 0.09 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 2qt8 h LYS 198 CO -0.03 0.75 0.48 0.00 -2.27 0.00 0.00 179.45 178.37 2qt8 h PHE 200 N 0.88 0.42 -1.00 0.00 3.57 -0.65 -1.55 116.94 118.61 2qt8 h PHE 200 Ca 0.35 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.84 2qt8 h PHE 200 Cb 0.16 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 2qt8 h PHE 200 CO -0.05 0.54 0.65 0.93 -2.23 0.00 0.00 178.31 178.16 2qt8 h GLU 201 N 0.18 1.17 -0.15 1.11 4.39 -0.63 -1.59 114.58 119.06 2qt8 h GLU 201 Ca 0.07 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2qt8 h GLU 201 Cb 0.36 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2qt8 h GLU 201 CO 0.01 0.77 0.08 0.35 -1.16 0.00 0.00 179.01 179.06 2qt8 h PHE 202 N 1.20 0.21 -0.21 4.33 3.57 -0.68 -0.98 116.94 124.38 2qt8 h PHE 202 Ca 0.43 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.86 2qt8 h PHE 202 Cb 0.13 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2qt8 h PHE 202 CO -0.00 0.22 -0.13 -0.39 -2.23 0.00 0.00 178.31 175.78 2qt8 h VAL 203 N 0.13 1.20 -0.77 1.41 -1.51 -1.03 -0.03 116.25 115.66 2qt8 h VAL 203 Ca 0.05 -0.90 -0.03 0.00 -1.23 0.00 0.00 66.70 64.59 2qt8 h VAL 203 Cb 0.09 1.19 -0.03 0.00 -2.13 0.00 0.00 31.29 30.40 2qt8 h VAL 203 CO -0.01 0.29 0.36 1.56 -1.23 0.00 0.00 177.57 178.54 2qt8 h GLN 204 N 0.32 1.11 -0.77 5.19 4.20 -1.05 -0.85 115.11 123.27 2qt8 h GLN 204 Ca 0.06 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2qt8 h GLN 204 Cb 0.43 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2qt8 h GLN 204 CO 0.03 0.86 0.35 0.00 -0.67 0.00 0.00 178.83 179.40 2qt8 h ALA 205 N 1.19 1.00 -0.47 3.87 0.00 -0.33 -1.90 119.26 122.61 2qt8 h ALA 205 Ca 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qt8 h ALA 205 Cb 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2qt8 h ALA 205 CO -0.03 0.58 0.20 0.28 0.00 0.00 0.00 179.25 180.27 2qt8 h VAL 206 N 1.09 1.20 -0.03 0.00 2.07 -0.69 0.95 116.25 120.85 2qt8 h VAL 206 Ca 0.26 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2qt8 h VAL 206 Cb 0.15 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2qt8 h VAL 206 CO -0.03 0.23 0.02 1.23 0.02 0.00 0.00 177.57 179.04 2qt8 h GLY 207 N 0.62 0.04 1.01 2.17 0.00 -0.98 -0.79 103.07 105.13 2qt8 h GLY 207 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.48 2qt8 h GLY 207 CO -0.01 0.01 0.51 1.70 0.00 0.00 0.00 176.54 178.75 2qt8 h LYS 208 N -0.01 1.02 -0.87 4.80 3.64 -1.33 -2.92 116.57 120.91 2qt8 h LYS 208 Ca 0.01 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2qt8 h LYS 208 Cb 0.04 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 2qt8 h LYS 208 CO -0.00 0.68 0.57 0.78 -2.27 0.00 0.00 179.45 179.21 2qt8 h GLY 209 N 1.05 1.24 -0.57 5.01 0.00 -0.33 -1.95 103.07 107.52 2qt8 h GLY 209 Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2qt8 h GLY 209 CO -0.06 0.30 0.00 2.98 0.00 0.00 0.00 176.54 179.76 2qt8 n TYR 210 N -4.48 0.00 0.00 5.60 9.36 -0.35 -0.20 117.16 127.09 2qt8 n TYR 210 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 2qt8 n TYR 210 Cb 0.19 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 2qt8 n TYR 210 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2qt8 n ASP 212 N 0.06 0.00 0.00 2.98 8.00 -0.73 -0.72 116.55 126.14 2qt8 n ASP 212 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 2qt8 n ASP 212 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2qt8 n ASP 212 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qt8 h ALA 213 N 0.00 0.01 0.09 2.24 0.00 -0.86 -3.42 119.26 117.33 2qt8 h ALA 213 Ca 0.00 -0.78 -0.35 0.00 0.00 0.00 0.00 54.91 53.78 2qt8 h ALA 213 Cb 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2qt8 h ALA 213 CO 0.00 0.42 -1.97 0.98 0.00 0.00 0.00 179.25 178.68 2qt8 n TYR 214 N -4.21 1.07 -0.20 0.00 9.36 0.11 -4.32 117.16 118.97 2qt8 n TYR 214 Ca -0.17 0.26 -0.05 0.00 3.32 0.00 0.00 57.90 61.26 2qt8 n TYR 214 Cb 0.76 -1.14 0.05 0.00 -0.63 0.00 0.00 39.34 38.38 2qt8 n TYR 214 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2qt8 h ILE 215 N -0.10 1.09 -0.67 2.97 1.08 -1.82 -1.46 117.51 118.60 2qt8 h ILE 215 Ca -0.44 -0.25 0.03 0.00 -0.39 0.00 0.00 64.86 63.81 2qt8 h ILE 215 Cb 1.92 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.93 2qt8 h ILE 215 CO 0.02 0.13 0.45 -0.65 -0.69 0.00 0.00 178.15 177.41 2qt8 h PRO 216 N 0.73 0.81 -0.44 2.37 0.11 -1.80 -0.81 132.00 132.97 2qt8 h PRO 216 Ca 0.23 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 2qt8 h PRO 216 Cb -0.01 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 2qt8 h PRO 216 CO -0.08 0.54 0.05 0.82 -0.21 0.00 0.00 178.00 179.12 2qt8 h ILE 217 N 0.83 1.25 -0.33 4.15 2.04 -1.51 -0.66 117.51 123.29 2qt8 h ILE 217 Ca 0.26 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2qt8 h ILE 217 Cb 0.03 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2qt8 h ILE 217 CO -0.07 0.32 0.16 0.58 0.00 0.00 0.00 178.15 179.14 2qt8 h VAL 218 N 0.60 0.97 -0.76 1.67 2.07 -0.77 -1.62 116.25 118.41 2qt8 h VAL 218 Ca 0.13 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2qt8 h VAL 218 Cb 0.41 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2qt8 h VAL 218 CO 0.01 0.06 0.45 -1.13 0.02 0.00 0.00 177.57 176.98 2qt8 h ASN 219 N 0.33 0.91 1.22 0.57 -0.73 -0.96 -1.22 115.58 115.70 2qt8 h ASN 219 Ca 0.14 -0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.15 2qt8 h ASN 219 Cb 0.06 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 2qt8 h ASN 219 CO -0.10 0.71 -0.48 -0.09 -0.37 0.00 0.00 177.43 177.09 2qt8 h ARG 220 N 1.05 0.00 0.00 6.67 2.43 -0.72 -3.38 114.38 120.43 2qt8 h ARG 220 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2qt8 h ARG 220 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2qt8 h ARG 220 CO -0.05 0.48 -0.73 0.54 -1.51 0.00 0.00 179.97 178.70 2qt8 n ARG 221 N -3.34 2.28 0.16 0.20 5.12 -0.65 -4.76 116.66 115.67 2qt8 n ARG 221 Ca 0.01 -0.01 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 2qt8 n ARG 221 Cb 0.66 -0.88 0.73 0.00 -1.16 0.00 0.00 32.46 31.81 2qt8 n ARG 221 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 2qt8 h LYS 222 N 0.00 0.00 -0.64 5.56 2.10 -1.40 -1.53 116.57 120.66 2qt8 h LYS 222 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qt8 h LYS 222 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2qt8 h LYS 222 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 2qt8 n ASN 223 N -4.21 3.78 -4.73 7.07 3.02 -1.26 -4.87 115.26 114.06 2qt8 n ASN 223 Ca 0.03 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 2qt8 n ASN 223 Cb 0.34 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2qt8 n ASN 223 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qt8 s THR 224 N -1.09 2.12 0.46 3.41 2.01 -0.58 -4.94 115.64 117.03 2qt8 s THR 224 Ca 0.45 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.30 2qt8 s THR 224 Cb 0.24 -3.06 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 2qt8 s THR 224 CO 0.32 0.01 1.29 -2.16 -0.69 0.00 0.00 174.62 173.38 2qt8 s PRO 225 N 0.64 3.69 0.19 4.92 0.04 -1.26 -4.93 135.00 138.28 2qt8 s PRO 225 Ca 0.70 2.09 -0.06 0.00 0.04 0.00 0.00 61.00 63.77 2qt8 s PRO 225 Cb -0.48 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 2qt8 s PRO 225 CO 0.37 -0.70 0.24 1.52 0.04 0.00 0.00 177.00 178.48 2qt8 s TYR 226 N -1.34 0.69 0.33 0.56 1.13 -1.26 -5.01 117.35 112.45 2qt8 s TYR 226 Ca 0.62 -1.01 0.09 0.00 -1.41 0.00 0.00 57.07 55.37 2qt8 s TYR 226 Cb -0.36 -0.22 -0.06 0.00 -1.10 0.00 0.00 41.96 40.21 2qt8 s TYR 226 CO 0.45 -0.72 -0.10 0.95 -2.51 0.00 0.00 175.55 173.62 2qt8 s THR 227 N -4.05 2.20 0.37 -3.49 -4.23 -1.26 -5.03 115.64 100.15 2qt8 s THR 227 Ca 0.26 -2.22 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 2qt8 s THR 227 Cb 0.04 -2.60 0.30 0.00 1.34 0.00 0.00 72.50 71.58 2qt8 s THR 227 CO 0.06 -0.23 1.95 -0.08 -0.54 0.00 0.00 174.62 175.78 2qt8 h GLU 228 N 2.07 0.68 -0.22 3.99 4.81 -2.02 -1.85 114.58 122.03 2qt8 h GLU 228 Ca -0.42 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 2qt8 h GLU 228 Cb 1.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2qt8 h GLU 228 CO 0.69 0.45 -0.29 1.96 -0.73 0.00 0.00 179.01 181.10 2qt8 h GLN 229 N 0.70 0.44 -0.08 1.92 7.50 -1.99 -0.88 115.11 122.73 2qt8 h GLN 229 Ca 0.32 -0.18 -0.15 0.00 0.50 0.00 0.00 58.65 59.15 2qt8 h GLN 229 Cb 0.34 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 2qt8 h GLN 229 CO -0.11 0.69 -0.60 1.96 -1.50 0.00 0.00 178.83 179.27 2qt8 h GLN 230 N 0.39 0.27 -0.60 1.46 4.20 -1.77 -2.02 115.11 117.04 2qt8 h GLN 230 Ca 0.05 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 2qt8 h GLN 230 Cb 0.71 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2qt8 h GLN 230 CO 0.05 0.78 0.12 0.28 -0.67 0.00 0.00 178.83 179.40 2qt8 h VAL 231 N 0.20 1.25 -0.44 -0.54 2.07 -0.95 -1.15 116.25 116.70 2qt8 h VAL 231 Ca -0.01 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.61 2qt8 h VAL 231 Cb 1.10 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2qt8 h VAL 231 CO 0.09 0.35 0.20 -0.08 0.02 0.00 0.00 177.57 178.15 2qt8 h GLU 232 N 0.88 0.39 -0.30 1.57 4.81 -0.92 0.18 114.58 121.19 2qt8 h GLU 232 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2qt8 h GLU 232 Cb 0.38 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2qt8 h GLU 232 CO 0.01 0.26 0.19 0.35 -0.73 0.00 0.00 179.01 179.08 2qt8 h PHE 233 N 0.40 0.38 -0.77 0.92 3.57 -1.22 -1.72 116.94 118.51 2qt8 h PHE 233 Ca 0.19 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.85 2qt8 h PHE 233 Cb 0.13 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 2qt8 h PHE 233 CO -0.12 0.26 0.30 0.37 -2.23 0.00 0.00 178.31 176.89 2qt8 h GLN 234 N 0.39 0.41 -0.40 1.11 4.15 -0.65 0.09 115.11 120.21 2qt8 h GLN 234 Ca 0.11 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.35 2qt8 h GLN 234 Cb -0.02 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2qt8 h GLN 234 CO -0.02 0.27 -0.34 0.93 -1.93 0.00 0.00 178.83 177.74 2qt8 h GLU 235 N 0.43 0.93 -0.67 1.69 5.08 -0.43 -0.10 114.58 121.50 2qt8 h GLU 235 Ca 0.43 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2qt8 h GLU 235 Cb 0.67 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2qt8 h GLU 235 CO -0.42 1.12 0.27 0.74 -1.00 0.00 0.00 179.01 179.72 2qt8 h PHE 236 N 0.77 1.02 -0.41 4.33 0.04 -0.91 -1.12 116.94 120.67 2qt8 h PHE 236 Ca 0.07 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2qt8 h PHE 236 Cb 0.93 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 2qt8 h PHE 236 CO 0.06 0.79 0.09 0.00 -0.60 0.00 0.00 178.31 178.66 2qt8 h ARG 237 N 0.95 0.60 0.00 1.51 2.47 -0.76 -2.08 114.38 117.07 2qt8 h ARG 237 Ca 0.22 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 2qt8 h ARG 237 Cb 0.20 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2qt8 h ARG 237 CO -0.02 0.56 -0.03 0.00 0.56 0.00 0.00 179.97 181.04 2qt8 h ARG 238 N 0.59 0.00 -0.79 0.04 3.08 -0.59 -1.15 114.38 115.56 2qt8 h ARG 238 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2qt8 h ARG 238 Cb 0.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2qt8 h ARG 238 CO -0.00 0.03 0.43 0.78 -1.07 0.00 0.00 179.97 180.14 2qt8 h GLY 239 N 1.53 1.18 1.03 0.04 0.00 -1.00 -1.11 103.07 104.74 2qt8 h GLY 239 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 2qt8 h GLY 239 CO 0.00 0.51 0.22 3.21 0.00 0.00 0.00 176.54 180.49 2qt8 h ARG 240 N 1.11 1.07 -0.31 4.80 2.47 -1.25 -1.38 114.38 120.88 2qt8 h ARG 240 Ca 0.28 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2qt8 h ARG 240 Cb 0.03 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 2qt8 h ARG 240 CO -0.04 0.92 0.08 -0.92 0.56 0.00 0.00 179.97 180.56 2qt8 h TYR 241 N 1.01 0.50 -0.61 3.04 3.20 -1.24 -1.92 116.97 120.94 2qt8 h TYR 241 Ca 0.22 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2qt8 h TYR 241 Cb 0.29 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2qt8 h TYR 241 CO 0.02 0.53 0.39 0.00 -1.64 0.00 0.00 178.16 177.47 2qt8 h ALA 242 N 0.92 0.78 -0.40 1.82 0.00 -1.12 -2.48 119.26 118.78 2qt8 h ALA 242 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2qt8 h ALA 242 Cb 0.27 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2qt8 h ALA 242 CO -0.00 0.23 0.10 0.93 0.00 0.00 0.00 179.25 180.50 2qt8 h GLU 243 N 0.83 0.23 -0.08 0.00 5.08 -1.02 -0.93 114.58 118.69 2qt8 h GLU 243 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2qt8 h GLU 243 Cb -0.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2qt8 h GLU 243 CO -0.05 0.15 0.05 0.35 -1.00 0.00 0.00 179.01 178.52 2qt8 h PHE 244 N 0.24 0.10 -0.59 4.33 3.04 -1.09 0.12 116.94 123.10 2qt8 h PHE 244 Ca 0.19 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 2qt8 h PHE 244 Cb 0.21 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 2qt8 h PHE 244 CO -0.18 0.09 0.17 -0.91 -2.02 0.00 0.00 178.31 175.46 2qt8 h ASN 245 N 0.09 0.83 0.51 0.41 2.35 -1.23 0.57 115.58 119.11 2qt8 h ASN 245 Ca 0.03 -0.14 -0.29 0.00 -0.55 0.00 0.00 56.30 55.35 2qt8 h ASN 245 Cb 0.01 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 2qt8 h ASN 245 CO -0.01 0.79 -1.62 -0.07 -1.65 0.00 0.00 177.43 174.87 2qt8 h LEU 246 N 0.86 0.10 0.07 1.61 3.38 -1.00 -3.33 115.31 117.00 2qt8 h LEU 246 Ca 0.19 -0.19 -0.38 0.00 0.09 0.00 0.00 57.88 57.60 2qt8 h LEU 246 Cb 0.27 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2qt8 h LEU 246 CO -0.01 1.17 -2.23 0.52 0.09 0.00 0.00 178.44 177.98 2qt8 n VAL 247 N -3.20 1.64 -0.06 1.22 0.31 0.40 -4.84 118.33 113.81 2qt8 n VAL 247 Ca -0.16 -0.62 -0.10 0.00 -0.01 0.00 0.00 64.34 63.45 2qt8 n VAL 247 Cb 1.03 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 32.34 2qt8 n VAL 247 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2qt8 n ILE 248 N -3.37 0.66 -1.68 2.52 5.41 -0.07 -5.01 119.36 117.81 2qt8 n ILE 248 Ca -0.39 -0.21 -0.47 0.00 1.00 0.00 0.00 62.75 62.68 2qt8 n ILE 248 Cb 1.02 -1.27 -0.04 0.00 -0.71 0.00 0.00 39.64 38.64 2qt8 n ILE 248 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2qt8 n ASP 249 N -3.18 3.46 -0.12 4.38 2.03 -0.00 -4.89 116.55 118.22 2qt8 n ASP 249 Ca -0.22 0.99 -0.11 0.00 0.52 0.00 0.00 54.79 55.97 2qt8 n ASP 249 Cb 0.69 -1.40 -0.02 0.00 -0.72 0.00 0.00 41.12 39.67 2qt8 n ASP 249 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2qt8 h ARG 250 N 8.54 0.69 -0.55 -0.67 3.08 -1.92 -2.37 114.38 121.17 2qt8 h ARG 250 Ca -0.48 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.32 2qt8 h ARG 250 Cb 1.26 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 2qt8 h ARG 250 CO 0.93 0.83 0.36 0.78 -1.07 0.00 0.00 179.97 181.81 2qt8 h GLY 251 N 0.48 0.78 0.81 0.04 0.00 -1.96 0.51 103.07 103.73 2qt8 h GLY 251 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2qt8 h GLY 251 CO 0.03 0.29 -0.06 -0.84 0.00 0.00 0.00 176.54 175.96 2qt8 h THR 252 N 0.75 0.98 -0.21 4.70 2.02 -1.85 -0.46 112.91 118.84 2qt8 h THR 252 Ca 0.20 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 67.00 2qt8 h THR 252 Cb -0.07 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2qt8 h THR 252 CO -0.04 0.10 -0.05 0.50 0.37 0.00 0.00 175.52 176.39 2qt8 h LYS 253 N -0.37 -0.00 -0.28 6.66 3.64 -1.27 -1.22 116.57 123.72 2qt8 h LYS 253 Ca -0.02 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2qt8 h LYS 253 Cb 0.30 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2qt8 h LYS 253 CO 0.03 -0.00 0.13 0.35 -2.27 0.00 0.00 179.45 177.68 2qt8 h PHE 254 N -0.00 0.24 -0.36 1.91 3.57 -0.87 -1.03 116.94 120.39 2qt8 h PHE 254 Ca 0.10 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2qt8 h PHE 254 Cb 0.16 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2qt8 h PHE 254 CO -0.23 0.12 0.14 0.78 -2.23 0.00 0.00 178.31 176.89 2qt8 h GLY 255 N 0.28 0.47 1.98 2.40 0.00 -0.67 -0.99 103.07 106.54 2qt8 h GLY 255 Ca 0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 2qt8 h GLY 255 CO -0.10 0.04 -0.61 1.41 0.00 0.00 0.00 176.54 177.28 2qt8 h LEU 256 N 0.29 0.02 -0.49 3.11 3.38 -1.10 0.62 115.31 121.14 2qt8 h LEU 256 Ca 0.16 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 2qt8 h LEU 256 Cb 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2qt8 h LEU 256 CO -0.16 0.63 -0.74 1.56 0.09 0.00 0.00 178.44 179.82 2qt8 h GLN 257 N 0.01 0.13 -0.54 1.13 4.20 -0.88 -3.37 115.11 115.80 2qt8 h GLN 257 Ca -0.01 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2qt8 h GLN 257 Cb 1.09 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2qt8 h GLN 257 CO 0.08 0.81 0.00 0.43 -0.67 0.00 0.00 178.83 179.49 2qt8 n SER 258 N -3.72 4.12 0.00 1.46 7.64 -0.40 -4.94 113.62 117.77 2qt8 n SER 258 Ca -0.02 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.50 2qt8 n SER 258 Cb 0.72 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2qt8 n SER 258 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qt8 n GLY 259 N 0.84 0.54 3.65 0.23 0.00 -1.18 -5.02 105.19 104.25 2qt8 n GLY 259 Ca 0.22 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 2qt8 n GLY 259 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qt8 s GLY 260 N -2.84 1.56 -0.47 -0.02 0.00 0.20 -4.95 107.32 100.80 2qt8 s GLY 260 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 44.72 44.08 2qt8 s GLY 260 CO 0.00 0.27 1.07 -1.60 0.00 0.00 0.00 173.10 172.85 2qt8 s ARG 261 N -4.92 3.68 0.14 2.90 3.52 -1.26 -4.85 118.95 118.16 2qt8 s ARG 261 Ca 0.66 0.46 -0.19 0.00 -0.13 0.00 0.00 55.73 56.53 2qt8 s ARG 261 Cb -0.19 -3.91 0.03 0.00 -1.56 0.00 0.00 34.95 29.31 2qt8 s ARG 261 CO 0.58 -1.32 1.70 1.15 -0.81 0.00 0.00 175.30 176.60 2qt8 h THR 262 N 6.18 0.74 0.00 4.11 2.02 -1.93 -0.37 112.91 123.65 2qt8 h THR 262 Ca -0.23 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 2qt8 h THR 262 Cb 1.06 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2qt8 h THR 262 CO 1.10 0.00 -0.42 -0.33 0.37 0.00 0.00 175.52 176.24 2qt8 h GLU 263 N 0.02 0.00 -0.22 6.66 4.39 -1.96 0.01 114.58 123.48 2qt8 h GLU 263 Ca 0.14 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 2qt8 h GLU 263 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2qt8 h GLU 263 CO -0.27 0.42 -0.52 0.77 -1.16 0.00 0.00 179.01 178.24 2qt8 h SER 264 N 0.00 0.84 -0.37 1.42 0.02 -1.80 -3.06 113.55 110.59 2qt8 h SER 264 Ca -0.00 -0.56 -0.02 0.00 -0.84 0.00 0.00 61.79 60.36 2qt8 h SER 264 Cb 0.83 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2qt8 h SER 264 CO 0.05 1.25 0.14 0.40 -1.14 0.00 0.00 176.83 177.53 2qt8 h ILE 265 N 0.47 1.20 -0.40 3.27 2.04 -0.63 -3.24 117.51 120.21 2qt8 h ILE 265 Ca -0.00 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2qt8 h ILE 265 Cb 1.13 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2qt8 h ILE 265 CO 0.11 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.66 2qt8 n LEU 266 N -4.66 3.35 0.15 1.44 4.77 -0.05 -3.92 117.00 118.10 2qt8 n LEU 266 Ca -0.01 -1.69 0.18 0.00 -0.03 0.00 0.00 56.01 54.46 2qt8 n LEU 266 Cb 0.15 -0.49 0.79 0.00 -2.33 0.00 0.00 43.42 41.54 2qt8 n LEU 266 CO 0.37 0.54 1.16 0.16 -1.33 0.00 0.00 177.39 178.29 2qt8 h ILE 267 N 2.58 0.44 0.00 -0.08 3.07 -1.56 -2.04 117.51 119.93 2qt8 h ILE 267 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 2qt8 h ILE 267 Cb 1.10 0.76 -0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2qt8 h ILE 267 CO 0.18 0.00 -0.04 0.77 -1.05 0.00 0.00 178.15 178.01 2qt8 h SER 268 N 0.00 0.00 -3.96 2.16 4.64 -1.85 -3.44 113.55 111.10 2qt8 h SER 268 Ca 0.13 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.95 2qt8 h SER 268 Cb 0.74 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.88 2qt8 h SER 268 CO -0.00 0.04 0.47 -0.76 -0.87 0.00 0.00 176.83 175.71 2qt8 s LEU 269 N -6.65 4.15 0.67 5.97 1.43 -0.77 -4.94 118.68 118.54 2qt8 s LEU 269 Ca -0.03 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 2qt8 s LEU 269 Cb 0.12 -4.11 0.01 0.00 0.03 0.00 0.00 46.19 42.24 2qt8 s LEU 269 CO 0.51 -0.66 1.11 -2.16 0.23 0.00 0.00 176.35 175.38 2qt8 s PRO 270 N -2.42 2.73 0.25 1.29 0.04 -1.26 -4.95 135.00 130.68 2qt8 s PRO 270 Ca 0.58 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.95 2qt8 s PRO 270 Cb -0.28 -1.94 0.29 0.00 0.04 0.00 0.00 34.50 32.61 2qt8 s PRO 270 CO 0.34 -1.30 1.81 -1.00 0.04 0.00 0.00 177.00 176.90 2qt8 h PRO 271 N -0.10 1.02 -3.50 0.56 0.13 -1.94 -3.43 132.00 124.74 2qt8 h PRO 271 Ca -0.46 -0.19 -0.21 0.00 -0.87 0.00 0.00 66.00 64.27 2qt8 h PRO 271 Cb 1.25 -0.16 -0.27 0.00 0.13 0.00 0.00 31.00 31.94 2qt8 h PRO 271 CO 0.54 0.85 -0.62 1.03 -0.23 0.00 0.00 178.00 179.57 2qt8 s ARG 272 N -5.41 0.10 0.03 0.86 0.52 -1.26 -5.16 118.95 108.62 2qt8 s ARG 272 Ca -0.11 0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 2qt8 s ARG 272 Cb 0.16 0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 2qt8 s ARG 272 CO 0.82 -0.02 -0.06 0.00 0.02 0.00 0.00 175.30 176.06 2qt8 s ALA 273 N 0.12 0.41 0.09 2.13 0.00 -1.26 -4.71 121.76 118.53 2qt8 s ALA 273 Ca -0.01 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.37 2qt8 s ALA 273 Cb -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2qt8 s ALA 273 CO -0.00 -0.06 -0.24 1.03 0.00 0.00 0.00 175.76 176.49 2qt8 s ARG 274 N -1.44 1.39 -0.03 0.00 0.52 -0.46 -4.93 118.95 114.00 2qt8 s ARG 274 Ca -0.11 -1.16 0.03 0.00 -0.52 0.00 0.00 55.73 53.97 2qt8 s ARG 274 Cb -0.09 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 33.70 2qt8 s ARG 274 CO -0.00 0.41 -0.10 -1.58 0.02 0.00 0.00 175.30 174.05 2qt8 s TRP 275 N -0.98 1.05 0.01 -0.53 0.51 -1.26 -4.22 118.94 113.51 2qt8 s TRP 275 Ca 0.10 -0.26 0.03 0.00 -2.12 0.00 0.00 56.10 53.84 2qt8 s TRP 275 Cb -0.10 -0.74 -0.01 0.00 -0.81 0.00 0.00 33.47 31.81 2qt8 s TRP 275 CO 0.04 -0.10 -0.08 0.20 -0.51 0.00 0.00 176.95 176.49 2qt8 s GLY 276 N 0.15 0.46 0.07 0.98 0.00 -1.26 -5.07 107.32 102.65 2qt8 s GLY 276 Ca -0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 2qt8 s GLY 276 CO 0.01 -0.47 1.85 -0.47 0.00 0.00 0.00 173.10 174.01 2qt8 s TYR 277 N -0.55 1.85 -1.70 1.90 5.04 -1.26 -1.51 117.35 121.13 2qt8 s TYR 277 Ca -0.00 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 2qt8 s TYR 277 Cb -0.05 -4.16 0.00 0.00 0.35 0.00 0.00 41.96 38.10 2qt8 s TYR 277 CO 0.00 -4.93 0.00 0.09 -1.34 0.00 0.00 175.55 169.37 2qt8 n ASN 278 N 6.45 -4.86 -4.73 4.32 3.02 -1.26 -4.91 115.26 113.29 2qt8 n ASN 278 Ca 0.18 0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 54.58 2qt8 n ASN 278 Cb 0.40 -4.23 -0.03 0.00 -0.61 0.00 0.00 39.78 35.31 2qt8 n ASN 278 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2qt8 s TRP 279 N -2.67 2.88 0.02 3.10 -0.00 -0.57 -4.99 118.94 116.71 2qt8 s TRP 279 Ca 0.00 0.51 -0.09 0.00 -0.00 0.00 0.00 56.10 56.53 2qt8 s TRP 279 Cb 0.00 -4.09 0.00 0.00 -0.00 0.00 0.00 33.47 29.38 2qt8 s TRP 279 CO 0.00 -3.99 0.17 -0.65 -0.00 0.00 0.00 176.95 172.48 2qt8 s GLN 280 N 0.64 0.60 0.73 5.86 -0.21 -1.26 -4.99 119.66 121.03 2qt8 s GLN 280 Ca 0.71 -0.53 -0.13 0.00 0.02 0.00 0.00 55.36 55.43 2qt8 s GLN 280 Cb -0.48 0.25 0.04 0.00 1.00 0.00 0.00 33.01 33.81 2qt8 s GLN 280 CO 0.37 -0.16 1.11 -1.25 -2.12 0.00 0.00 175.29 173.24 2qt8 s PRO 281 N -2.04 2.40 0.39 2.91 0.04 -1.26 -4.98 135.00 132.46 2qt8 s PRO 281 Ca -0.09 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.04 2qt8 s PRO 281 Cb -0.04 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2qt8 s PRO 281 CO -0.01 -1.56 1.26 -1.21 0.04 0.00 0.00 177.00 175.52 2qt8 s GLU 282 N -4.42 4.08 0.49 4.56 0.41 -1.26 -4.84 118.70 117.72 2qt8 s GLU 282 Ca 0.65 2.07 -0.23 0.00 -0.41 0.00 0.00 54.97 57.06 2qt8 s GLU 282 Cb -0.20 -2.81 -0.06 0.00 -1.78 0.00 0.00 34.13 29.28 2qt8 s GLU 282 CO 0.49 -0.37 1.25 -1.25 -0.49 0.00 0.00 175.26 174.89 2qt8 s PRO 283 N -2.14 3.52 -0.18 0.39 0.04 -1.26 -3.43 135.00 131.95 2qt8 s PRO 283 Ca 0.55 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2qt8 s PRO 283 Cb -0.36 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2qt8 s PRO 283 CO 0.47 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2qt8 n GLY 284 N 0.57 0.53 3.81 0.56 0.00 -1.26 -5.02 105.19 104.38 2qt8 n GLY 284 Ca 0.08 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2qt8 n GLY 284 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qt8 s THR 285 N -1.99 3.66 0.45 2.61 -4.23 -1.22 -5.01 115.64 109.90 2qt8 s THR 285 Ca 0.00 -1.46 0.12 0.00 -1.18 0.00 0.00 61.69 59.17 2qt8 s THR 285 Cb 0.00 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.95 2qt8 s THR 285 CO 0.00 -0.23 2.05 -0.65 -0.54 0.00 0.00 174.62 175.25 2qt8 h PRO 286 N 1.39 0.35 -0.35 3.99 0.11 -1.96 -2.24 132.00 133.29 2qt8 h PRO 286 Ca -0.45 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2qt8 h PRO 286 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2qt8 h PRO 286 CO 0.60 0.23 0.21 0.93 -0.21 0.00 0.00 178.00 179.76 2qt8 h GLU 287 N 0.36 0.41 -0.05 1.05 3.07 -1.90 -2.49 114.58 115.03 2qt8 h GLU 287 Ca 0.16 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 2qt8 h GLU 287 Cb 0.20 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2qt8 h GLU 287 CO -0.04 0.27 -0.24 0.00 -1.40 0.00 0.00 179.01 177.60 2qt8 h ALA 288 N 1.16 1.50 0.00 3.43 0.00 -1.59 -3.07 119.26 120.68 2qt8 h ALA 288 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2qt8 h ALA 288 Cb -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qt8 h ALA 288 CO -0.06 0.37 -0.09 -0.09 0.00 0.00 0.00 179.25 179.37 2qt8 h ARG 289 N 0.09 0.00 0.12 0.00 2.43 -0.95 -1.69 114.38 114.39 2qt8 h ARG 289 Ca 0.01 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2qt8 h ARG 289 Cb 0.48 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2qt8 h ARG 289 CO 0.03 0.09 -0.27 1.25 -1.51 0.00 0.00 179.97 179.56 2qt8 h LEU 290 N 0.00 -0.77 0.03 3.80 5.85 -1.54 -0.43 115.31 122.25 2qt8 h LEU 290 Ca -0.00 0.09 -0.24 0.00 0.84 0.00 0.00 57.88 58.57 2qt8 h LEU 290 Cb 0.39 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2qt8 h LEU 290 CO 0.01 -0.36 -1.16 0.71 -0.34 0.00 0.00 178.44 177.29 2qt8 h THR 291 N -0.49 1.54 -0.07 1.05 1.35 -1.69 -0.13 112.91 114.46 2qt8 h THR 291 Ca 0.03 -3.23 -0.19 0.00 -0.55 0.00 0.00 66.41 62.47 2qt8 h THR 291 Cb 0.51 2.81 -0.00 0.00 -1.73 0.00 0.00 68.15 69.74 2qt8 h THR 291 CO -0.15 0.90 -0.75 -0.33 -0.25 0.00 0.00 175.52 174.93 2qt8 h GLU 292 N 0.02 0.42 0.00 4.72 5.08 -1.30 -3.41 114.58 120.11 2qt8 h GLU 292 Ca -0.08 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2qt8 h GLU 292 Cb 1.85 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2qt8 h GLU 292 CO 0.14 0.99 -0.04 0.98 -1.00 0.00 0.00 179.01 180.09 2qt8 n TYR 293 N -3.83 -0.09 -0.17 4.33 9.36 -0.20 -4.75 117.16 121.80 2qt8 n TYR 293 Ca -0.05 0.02 -0.09 0.00 3.32 0.00 0.00 57.90 61.10 2qt8 n TYR 293 Cb 0.72 0.02 0.01 0.00 -0.63 0.00 0.00 39.34 39.46 2qt8 n TYR 293 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2qt8 h PHE 294 N 0.00 0.84 0.00 2.98 0.04 -1.06 -2.22 116.94 117.52 2qt8 h PHE 294 Ca 0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2qt8 h PHE 294 Cb 0.04 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.95 2qt8 h PHE 294 CO 0.00 0.75 0.00 1.28 -0.60 0.00 0.00 178.31 179.74 2qt8 n LEU 295 N -4.46 0.74 -0.39 1.54 4.77 -0.10 -3.44 117.00 115.66 2qt8 n LEU 295 Ca 0.01 0.61 0.06 0.00 -0.03 0.00 0.00 56.01 56.66 2qt8 n LEU 295 Cb 0.22 -0.42 0.03 0.00 -2.33 0.00 0.00 43.42 40.92 2qt8 n LEU 295 CO 0.40 -0.32 0.35 0.35 -1.33 0.00 0.00 177.39 176.84 2qt8 n THR 296 N -2.23 0.00 0.01 -5.08 -2.24 -1.06 -4.65 114.28 99.02 2qt8 n THR 296 Ca 0.04 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 2qt8 n THR 296 Cb 0.35 1.20 -0.09 0.00 -2.10 0.00 0.00 70.33 69.69 2qt8 n THR 296 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qt8 h LYS 297 N 1.91 -0.02 -6.11 -0.78 3.64 -1.43 -3.46 116.57 110.32 2qt8 h LYS 297 Ca 0.00 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.94 2qt8 h LYS 297 Cb 0.45 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.12 2qt8 h LYS 297 CO 0.00 0.31 -0.66 0.54 -2.27 0.00 0.00 179.45 177.36 2qt8 n ARG 298 N -4.94 -3.06 -3.15 1.90 1.74 -1.26 -4.89 116.66 102.99 2qt8 n ARG 298 Ca -0.08 0.37 0.04 0.00 -0.77 0.00 0.00 57.85 57.42 2qt8 n ARG 298 Cb 0.18 -5.07 -0.00 0.00 -1.02 0.00 0.00 32.46 26.55 2qt8 n ARG 298 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qt8 s GLN 299 N -6.43 0.46 -0.01 5.56 2.00 -1.26 -5.06 119.66 114.92 2qt8 s GLN 299 Ca 0.56 0.50 0.06 0.00 -2.00 0.00 0.00 55.36 54.47 2qt8 s GLN 299 Cb -0.30 0.23 -0.09 0.00 0.80 0.00 0.00 33.01 33.65 2qt8 s GLN 299 CO 0.69 -0.83 0.12 0.91 -0.50 0.00 0.00 175.29 175.67 2qt8 n TRP 300 N 5.36 0.00 -0.74 1.67 7.02 -1.26 -5.10 117.44 124.39 2qt8 n TRP 300 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 2qt8 n TRP 300 Cb 0.55 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 2qt8 n TRP 300 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00