#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr1 n MET 2 N 0.00 1.70 -3.59 0.00 2.81 -1.26 -4.55 117.12 112.23 2qr1 n MET 2 Ca 0.00 -3.31 -0.06 0.00 -1.81 0.00 0.00 57.70 52.52 2qr1 n MET 2 Cb 0.00 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.07 2qr1 n MET 2 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2qr1 s ASP 3 N -3.37 -0.21 0.36 7.83 -4.77 -1.26 -4.94 116.67 110.31 2qr1 s ASP 3 Ca 0.33 0.12 -0.22 0.00 -3.30 0.00 0.00 52.55 49.48 2qr1 s ASP 3 Cb 0.35 0.19 -0.16 0.00 -1.09 0.00 0.00 42.92 42.22 2qr1 s ASP 3 CO -0.05 -0.27 0.17 1.33 0.70 0.00 0.00 175.17 177.05 2qr1 n VAL 4 N 0.26 0.90 -0.15 2.11 0.24 -1.26 0.31 118.33 120.73 2qr1 n VAL 4 Ca -0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2qr1 n VAL 4 Cb 0.59 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2qr1 n VAL 4 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2qr1 n GLN 5 N 1.27 0.00 -0.00 7.34 7.27 -1.26 -4.22 117.38 127.79 2qr1 n GLN 5 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.19 2qr1 n GLN 5 Cb 0.37 -3.35 -0.00 0.00 2.41 0.00 0.00 30.24 29.67 2qr1 n GLN 5 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2qr1 n GLU 6 N -2.00 3.22 -0.01 3.69 1.02 -0.21 -3.81 120.64 122.54 2qr1 n GLU 6 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2qr1 n GLU 6 Cb 0.00 -1.00 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 2qr1 n GLU 6 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2qr1 h THR 7 N 0.00 1.40 -0.18 2.62 2.02 0.46 -1.73 112.91 117.51 2qr1 h THR 7 Ca -0.00 -1.97 0.02 0.00 0.77 0.00 0.00 66.41 65.23 2qr1 h THR 7 Cb 1.00 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 2qr1 h THR 7 CO 0.00 0.58 0.05 -0.61 0.37 0.00 0.00 175.52 175.91 2qr1 h GLN 8 N -0.01 0.13 -0.50 6.66 4.15 -1.74 0.29 115.11 124.07 2qr1 h GLN 8 Ca -0.06 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.42 2qr1 h GLN 8 Cb 1.24 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.81 2qr1 h GLN 8 CO 0.11 0.08 -0.51 -0.22 -1.93 0.00 0.00 178.83 176.36 2qr1 h LYS 9 N 0.13 -0.30 -0.55 1.69 3.64 -1.65 0.29 116.57 119.82 2qr1 h LYS 9 Ca 0.08 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2qr1 h LYS 9 Cb 0.06 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2qr1 h LYS 9 CO -0.09 -0.20 0.28 0.78 -2.27 0.00 0.00 179.45 177.95 2qr1 h GLY 10 N -0.31 0.81 1.14 5.01 0.00 -1.40 -2.99 103.07 105.33 2qr1 h GLY 10 Ca 0.12 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 2qr1 h GLY 10 CO -0.65 0.34 0.05 0.00 0.00 0.00 0.00 176.54 176.28 2qr1 h ALA 11 N 1.55 0.92 -0.38 3.60 0.00 0.17 -2.41 119.26 122.70 2qr1 h ALA 11 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2qr1 h ALA 11 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2qr1 h ALA 11 CO -0.03 0.65 0.20 -0.07 0.00 0.00 0.00 179.25 180.00 2qr1 h LEU 12 N 0.96 0.49 -0.80 0.00 3.38 -0.84 -2.49 115.31 116.01 2qr1 h LEU 12 Ca 0.18 -0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.22 2qr1 h LEU 12 Cb 0.49 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.97 2qr1 h LEU 12 CO 0.02 0.45 -0.08 0.11 0.09 0.00 0.00 178.44 179.04 2qr1 h LYS 13 N 0.49 0.05 -0.34 1.13 1.57 -1.30 0.87 116.57 119.04 2qr1 h LYS 13 Ca 0.13 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2qr1 h LYS 13 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2qr1 h LYS 13 CO -0.02 0.03 -0.13 0.93 -0.57 0.00 0.00 179.45 179.69 2qr1 h GLU 14 N 0.05 0.59 -0.29 3.15 4.39 -1.16 -2.62 114.58 118.69 2qr1 h GLU 14 Ca 0.42 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.82 2qr1 h GLU 14 Cb 0.72 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2qr1 h GLU 14 CO -0.76 0.71 -0.25 0.82 -1.16 0.00 0.00 179.01 178.37 2qr1 h ILE 15 N 0.54 1.30 -0.72 3.13 2.04 -0.45 0.37 117.51 123.72 2qr1 h ILE 15 Ca 0.09 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.48 2qr1 h ILE 15 Cb 0.55 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 2qr1 h ILE 15 CO 0.03 0.45 0.18 0.06 0.00 0.00 0.00 178.15 178.88 2qr1 h GLN 16 N 0.42 1.15 -0.84 2.37 3.07 -1.25 0.63 115.11 120.65 2qr1 h GLN 16 Ca 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 58.65 58.51 2qr1 h GLN 16 Cb 0.81 -0.15 -0.04 0.00 0.08 0.00 0.00 27.48 28.18 2qr1 h GLN 16 CO 0.06 1.01 0.51 0.00 0.09 0.00 0.00 178.83 180.50 2qr1 h ALA 17 N 1.09 1.07 0.37 0.06 0.00 -1.12 0.18 119.26 120.90 2qr1 h ALA 17 Ca 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2qr1 h ALA 17 Cb 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qr1 h ALA 17 CO 0.00 0.52 -0.22 0.35 0.00 0.00 0.00 179.25 179.91 2qr1 h PHE 18 N 1.15 -0.57 -0.66 0.00 3.04 0.17 -2.05 116.94 118.02 2qr1 h PHE 18 Ca 0.30 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.38 2qr1 h PHE 18 Cb -0.05 0.20 -0.12 0.00 2.56 0.00 0.00 35.95 38.54 2qr1 h PHE 18 CO -0.00 -0.34 -0.13 0.82 -2.02 0.00 0.00 178.31 176.63 2qr1 h ILE 19 N -0.56 0.36 -0.26 1.41 2.04 0.32 -1.68 117.51 119.14 2qr1 h ILE 19 Ca -0.04 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 2qr1 h ILE 19 Cb 0.46 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2qr1 h ILE 19 CO 0.04 0.00 -0.07 0.03 0.00 0.00 0.00 178.15 178.16 2qr1 h ARG 20 N 0.02 0.42 0.00 2.37 3.08 -0.46 -2.87 114.38 116.94 2qr1 h ARG 20 Ca 0.32 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2qr1 h ARG 20 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2qr1 h ARG 20 CO -0.66 0.50 0.00 0.66 -1.07 0.00 0.00 179.97 179.40 2qr1 h SER 21 N 0.40 0.00 -2.26 7.04 4.64 -0.59 -3.41 113.55 119.37 2qr1 h SER 21 Ca 0.08 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.95 2qr1 h SER 21 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2qr1 h SER 21 CO 0.02 0.00 -0.33 -0.13 -0.87 0.00 0.00 176.83 175.52 2qr1 s ARG 22 N -3.13 3.32 0.36 4.77 1.81 -1.00 -5.01 118.95 120.07 2qr1 s ARG 22 Ca 0.10 -0.72 0.08 0.00 -1.72 0.00 0.00 55.73 53.46 2qr1 s ARG 22 Cb 0.11 -2.79 -0.03 0.00 -0.45 0.00 0.00 34.95 31.79 2qr1 s ARG 22 CO 0.59 0.21 0.30 0.95 -0.68 0.00 0.00 175.30 176.67 2qr1 s THR 23 N -2.15 3.18 0.20 0.02 -4.23 -1.26 -0.30 115.64 111.10 2qr1 s THR 23 Ca 0.40 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.41 2qr1 s THR 23 Cb -0.09 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.78 2qr1 s THR 23 CO 0.32 -0.12 1.76 0.28 -0.54 0.00 0.00 174.62 176.32 2qr1 h SER 24 N 1.22 1.03 -0.79 3.99 0.02 -1.48 -2.56 113.55 114.98 2qr1 h SER 24 Ca -0.44 -0.18 0.14 0.00 -0.84 0.00 0.00 61.79 60.48 2qr1 h SER 24 Cb 1.26 -0.27 -0.14 0.00 0.14 0.00 0.00 62.40 63.39 2qr1 h SER 24 CO 0.59 0.92 -0.29 0.22 -1.14 0.00 0.00 176.83 177.13 2qr1 h TYR 25 N 1.07 -0.75 0.00 3.45 5.03 -0.99 -0.52 116.97 124.27 2qr1 h TYR 25 Ca 0.25 0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.64 2qr1 h TYR 25 Cb 0.22 0.45 0.00 0.00 1.55 0.00 0.00 36.73 38.95 2qr1 h TYR 25 CO 0.02 -0.38 0.23 -0.44 -1.32 0.00 0.00 178.16 176.27 2qr1 h ASP 26 N -0.05 0.00 0.64 -2.11 3.32 -1.73 -1.11 116.42 115.38 2qr1 h ASP 26 Ca 0.33 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.11 2qr1 h ASP 26 Cb 0.59 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2qr1 h ASP 26 CO -0.83 0.00 -1.49 0.58 -1.72 0.00 0.00 179.24 175.78 2qr1 h VAL 27 N 0.00 1.11 -4.01 -1.35 2.07 -1.18 -3.47 116.25 109.43 2qr1 h VAL 27 Ca 0.00 -2.92 -0.53 0.00 0.82 0.00 0.00 66.70 64.07 2qr1 h VAL 27 Cb 0.46 2.55 0.10 0.00 -1.52 0.00 0.00 31.29 32.88 2qr1 h VAL 27 CO 0.00 0.63 0.57 -0.76 0.02 0.00 0.00 177.57 178.04 2qr1 s LEU 28 N -6.28 4.00 1.02 2.57 1.43 -0.42 -5.01 118.68 115.98 2qr1 s LEU 28 Ca -0.03 2.59 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 2qr1 s LEU 28 Cb 0.09 -4.16 0.20 0.00 0.03 0.00 0.00 46.19 42.34 2qr1 s LEU 28 CO 0.82 -1.17 1.08 -2.84 0.23 0.00 0.00 176.35 174.47 2qr1 s PRO 29 N -2.67 0.24 0.13 1.29 0.02 -1.26 -4.92 135.00 127.84 2qr1 s PRO 29 Ca 0.65 0.68 0.26 0.00 0.02 0.00 0.00 61.00 62.61 2qr1 s PRO 29 Cb -0.36 -1.70 0.78 0.00 0.02 0.00 0.00 34.50 33.24 2qr1 s PRO 29 CO 0.44 -2.90 1.68 0.25 -0.33 0.00 0.00 177.00 176.15 2qr1 n THR 30 N -4.32 0.37 -3.38 0.99 -2.24 -1.26 -4.62 114.28 99.83 2qr1 n THR 30 Ca 0.05 -0.20 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 2qr1 n THR 30 Cb 0.56 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 2qr1 n THR 30 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qr1 s SER 31 N -4.03 -0.78 0.19 3.42 0.15 -1.26 -5.17 113.70 106.22 2qr1 s SER 31 Ca 0.10 0.89 -0.03 0.00 0.70 0.00 0.00 55.95 57.61 2qr1 s SER 31 Cb 0.14 1.83 -0.03 0.00 -1.71 0.00 0.00 66.02 66.25 2qr1 s SER 31 CO 0.62 -0.26 0.17 0.72 1.20 0.00 0.00 173.24 175.69 2qr1 s PHE 32 N 2.76 0.97 -0.01 3.44 -0.12 -1.26 -5.16 117.98 118.59 2qr1 s PHE 32 Ca 0.10 -1.24 -0.08 0.00 -0.05 0.00 0.00 56.93 55.67 2qr1 s PHE 32 Cb -0.14 -0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 41.78 2qr1 s PHE 32 CO -0.18 -0.67 0.27 0.50 -0.05 0.00 0.00 175.22 175.08 2qr1 s ARG 33 N -4.11 3.60 -0.06 1.99 3.52 -1.26 -5.11 118.95 117.51 2qr1 s ARG 33 Ca 0.33 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 2qr1 s ARG 33 Cb 0.06 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.36 2qr1 s ARG 33 CO 0.09 0.67 -0.04 -1.17 -0.81 0.00 0.00 175.30 174.04 2qr1 s LEU 34 N -1.57 1.11 -0.13 -0.88 2.96 -1.26 -5.09 118.68 113.81 2qr1 s LEU 34 Ca 0.25 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 2qr1 s LEU 34 Cb -0.13 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 2qr1 s LEU 34 CO 0.14 -0.10 0.08 -0.63 -1.32 0.00 0.00 176.35 174.51 2qr1 s ILE 35 N 1.33 4.94 -0.01 6.68 1.01 -1.26 -5.09 121.20 128.80 2qr1 s ILE 35 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.62 2qr1 s ILE 35 Cb -0.14 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.18 2qr1 s ILE 35 CO -0.02 0.56 -0.03 -0.69 0.00 0.00 0.00 174.94 174.76 2qr1 s VAL 36 N -0.51 0.27 0.06 2.92 1.01 -1.26 -4.13 120.40 118.75 2qr1 s VAL 36 Ca 0.11 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2qr1 s VAL 36 Cb -0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2qr1 s VAL 36 CO 0.02 0.10 -0.08 -0.36 0.00 0.00 0.00 175.10 174.78 2qr1 s PHE 37 N 0.22 2.81 0.21 5.22 2.99 -1.02 -4.97 117.98 123.44 2qr1 s PHE 37 Ca -0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 56.93 56.50 2qr1 s PHE 37 Cb -0.05 -1.52 -0.10 0.00 0.00 0.00 0.00 43.02 41.35 2qr1 s PHE 37 CO -0.00 0.39 1.49 0.34 -0.00 0.00 0.00 175.22 177.44 2qr1 s ASP 38 N -1.83 6.63 0.60 1.36 2.15 -1.26 -0.18 116.67 124.15 2qr1 s ASP 38 Ca 0.19 2.63 0.31 0.00 0.43 0.00 0.00 52.55 56.12 2qr1 s ASP 38 Cb -0.11 -2.61 1.69 0.00 -0.30 0.00 0.00 42.92 41.59 2qr1 s ASP 38 CO 0.11 -0.75 1.94 -0.37 -0.17 0.00 0.00 175.17 175.93 2qr1 h VAL 39 N 3.77 0.00 -0.16 1.11 -1.51 -1.71 -1.99 116.25 115.76 2qr1 h VAL 39 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 2qr1 h VAL 39 Cb 1.21 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2qr1 h VAL 39 CO 0.84 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.53 2qr1 n THR 40 N -2.79 0.20 -1.76 7.19 -2.24 -1.26 -1.69 114.28 111.92 2qr1 n THR 40 Ca -0.02 -0.41 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 2qr1 n THR 40 Cb 0.27 0.60 0.03 0.00 -2.10 0.00 0.00 70.33 69.14 2qr1 n THR 40 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qr1 n LEU 41 N 0.58 5.43 -4.78 3.22 4.77 -0.75 -4.64 117.00 120.83 2qr1 n LEU 41 Ca 0.17 1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 56.86 2qr1 n LEU 41 Cb 0.41 -1.60 0.02 0.00 -2.33 0.00 0.00 43.42 39.92 2qr1 n LEU 41 CO 0.14 -0.36 0.74 -0.36 -1.33 0.00 0.00 177.39 176.22 2qr1 s PHE 42 N -1.24 2.77 0.23 -1.77 0.40 -1.26 -1.33 117.98 115.78 2qr1 s PHE 42 Ca 0.67 1.54 -0.06 0.00 -0.60 0.00 0.00 56.93 58.48 2qr1 s PHE 42 Cb -0.43 -3.15 0.31 0.00 0.51 0.00 0.00 43.02 40.26 2qr1 s PHE 42 CO 0.53 -1.40 1.84 0.28 0.70 0.00 0.00 175.22 177.16 2qr1 h VAL 43 N 0.65 1.02 -0.48 -0.44 2.07 -1.16 -2.41 116.25 115.48 2qr1 h VAL 43 Ca -0.48 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2qr1 h VAL 43 Cb 1.24 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2qr1 h VAL 43 CO 0.56 0.16 0.16 0.50 0.02 0.00 0.00 177.57 178.97 2qr1 h LYS 44 N 0.89 0.75 -0.31 1.57 3.64 -1.83 -1.69 116.57 119.58 2qr1 h LYS 44 Ca 0.35 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2qr1 h LYS 44 Cb 0.18 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2qr1 h LYS 44 CO -0.18 0.70 0.12 1.15 -2.27 0.00 0.00 179.45 178.97 2qr1 h THR 45 N 0.65 0.93 -0.37 1.00 2.02 -1.90 -0.58 112.91 114.66 2qr1 h THR 45 Ca 0.16 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 2qr1 h THR 45 Cb 0.26 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2qr1 h THR 45 CO -0.01 0.05 -0.15 0.77 0.37 0.00 0.00 175.52 176.55 2qr1 h SER 46 N 0.26 0.65 -0.03 4.18 4.64 -1.08 0.13 113.55 122.30 2qr1 h SER 46 Ca 0.14 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2qr1 h SER 46 Cb 0.10 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2qr1 h SER 46 CO -0.13 0.82 0.02 -0.07 -0.87 0.00 0.00 176.83 176.59 2qr1 h LEU 47 N 0.60 0.04 -1.58 5.97 3.38 -1.00 -1.32 115.31 121.39 2qr1 h LEU 47 Ca 0.10 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.10 2qr1 h LEU 47 Cb 0.59 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2qr1 h LEU 47 CO 0.04 0.10 0.44 0.28 0.09 0.00 0.00 178.44 179.39 2qr1 h SER 48 N -0.03 0.42 0.70 -0.43 0.02 -0.27 -2.17 113.55 111.79 2qr1 h SER 48 Ca 0.01 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2qr1 h SER 48 Cb 0.07 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2qr1 h SER 48 CO -0.00 0.25 -0.79 -0.07 -1.14 0.00 0.00 176.83 175.08 2qr1 h LEU 49 N 0.46 0.08 0.62 5.07 3.38 -0.36 -2.38 115.31 122.18 2qr1 h LEU 49 Ca 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2qr1 h LEU 49 Cb 0.59 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2qr1 h LEU 49 CO -0.09 0.83 -0.30 -0.07 0.09 0.00 0.00 178.44 178.90 2qr1 h LEU 50 N 0.04 -0.71 -0.85 1.67 3.38 -0.61 -2.55 115.31 115.68 2qr1 h LEU 50 Ca -0.02 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2qr1 h LEU 50 Cb 1.38 0.18 -0.11 0.00 0.09 0.00 0.00 40.66 42.20 2qr1 h LEU 50 CO 0.11 -0.32 0.36 0.74 0.09 0.00 0.00 178.44 179.42 2qr1 h THR 51 N -1.19 0.55 -0.19 0.22 2.02 -1.58 0.12 112.91 112.86 2qr1 h THR 51 Ca -0.09 -0.15 -0.16 0.00 0.77 0.00 0.00 66.41 66.79 2qr1 h THR 51 Cb 0.66 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2qr1 h THR 51 CO 0.14 0.08 -0.53 -0.07 0.37 0.00 0.00 175.52 175.51 2qr1 h LEU 52 N 0.43 0.60 -1.19 2.58 3.38 -1.44 -2.27 115.31 117.40 2qr1 h LEU 52 Ca 0.50 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2qr1 h LEU 52 Cb 0.88 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2qr1 h LEU 52 CO -0.48 1.01 0.00 0.59 0.09 0.00 0.00 178.44 179.65 2qr1 n ASN 53 N -3.97 1.79 -3.57 -0.43 4.13 -0.94 -4.97 115.26 107.31 2qr1 n ASN 53 Ca -0.03 -1.73 -0.25 0.00 1.68 0.00 0.00 54.58 54.25 2qr1 n ASN 53 Cb 0.59 -0.12 0.07 0.00 -1.54 0.00 0.00 39.78 38.78 2qr1 n ASN 53 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2qr1 n ASN 54 N 0.41 -6.11 -4.41 6.41 5.15 0.29 -5.00 115.26 111.99 2qr1 n ASN 54 Ca 0.16 -0.54 -0.21 0.00 -0.60 0.00 0.00 54.58 53.39 2qr1 n ASN 54 Cb 0.35 -4.83 -0.10 0.00 -0.53 0.00 0.00 39.78 34.66 2qr1 n ASN 54 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2qr1 s ILE 55 N -3.29 2.13 -1.52 -1.44 -4.36 -0.53 -5.00 121.20 107.20 2qr1 s ILE 55 Ca 0.56 -2.32 0.13 0.00 -0.26 0.00 0.00 60.65 58.76 2qr1 s ILE 55 Cb -0.25 -2.18 0.13 0.00 1.25 0.00 0.00 42.46 41.41 2qr1 s ILE 55 CO 0.69 -0.49 0.95 1.33 0.24 0.00 0.00 174.94 177.66 2qr1 n VAL 56 N -0.50 0.12 -3.52 8.37 0.24 -1.26 -4.19 118.33 117.59 2qr1 n VAL 56 Ca -0.06 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.54 2qr1 n VAL 56 Cb 0.60 1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 34.10 2qr1 n VAL 56 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2qr1 s SER 57 N -1.05 -0.49 -0.25 -1.34 0.15 -1.26 -3.76 113.70 105.70 2qr1 s SER 57 Ca 0.16 0.12 -0.25 0.00 0.70 0.00 0.00 55.95 56.69 2qr1 s SER 57 Cb 0.11 0.54 0.07 0.00 -1.71 0.00 0.00 66.02 65.02 2qr1 s SER 57 CO 0.16 -0.81 0.70 0.00 1.20 0.00 0.00 173.24 174.48 2qr1 s ALA 58 N -2.92 -1.72 0.37 5.45 0.00 -0.10 -5.01 121.76 117.82 2qr1 s ALA 58 Ca -0.03 1.92 -0.26 0.00 0.00 0.00 0.00 51.96 53.59 2qr1 s ALA 58 Cb -0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.96 2qr1 s ALA 58 CO -0.06 -0.33 1.15 -1.25 0.00 0.00 0.00 175.76 175.27 2qr1 s PRO 59 N 0.27 4.23 -0.05 0.00 0.04 -1.26 -0.65 135.00 137.58 2qr1 s PRO 59 Ca -0.01 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 2qr1 s PRO 59 Cb -0.05 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 2qr1 s PRO 59 CO 0.02 -0.16 0.31 -0.51 0.04 0.00 0.00 177.00 176.69 2qr1 s LEU 60 N -2.20 4.44 -0.19 -3.56 1.43 0.56 -2.43 118.68 116.74 2qr1 s LEU 60 Ca 0.53 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 54.37 2qr1 s LEU 60 Cb -0.31 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2qr1 s LEU 60 CO 0.39 0.35 -0.02 0.86 0.23 0.00 0.00 176.35 178.16 2qr1 s TRP 61 N -1.04 3.01 -0.54 0.29 -0.11 0.75 -0.60 118.94 120.70 2qr1 s TRP 61 Ca 0.20 -0.49 -0.17 0.00 1.22 0.00 0.00 56.10 56.87 2qr1 s TRP 61 Cb -0.15 -2.04 0.12 0.00 -1.50 0.00 0.00 33.47 29.90 2qr1 s TRP 61 CO 0.10 -0.22 0.53 0.34 -4.62 0.00 0.00 176.95 173.08 2qr1 s ASP 62 N 0.85 6.19 0.17 5.86 3.68 0.64 -1.81 116.67 132.25 2qr1 s ASP 62 Ca -0.00 -1.67 0.14 0.00 2.13 0.00 0.00 52.55 53.14 2qr1 s ASP 62 Cb -0.14 -2.23 -0.06 0.00 -1.45 0.00 0.00 42.92 39.04 2qr1 s ASP 62 CO 0.02 -0.89 1.19 0.77 0.13 0.00 0.00 175.17 176.39 2qr1 h SER 63 N 8.93 0.00 -0.44 -0.34 4.64 -1.96 0.64 113.55 125.02 2qr1 h SER 63 Ca -0.30 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.96 2qr1 h SER 63 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2qr1 h SER 63 CO 1.04 0.63 0.05 -0.08 -0.87 0.00 0.00 176.83 177.60 2qr1 h GLU 64 N 0.00 0.81 0.00 4.77 4.22 -1.96 -3.10 114.58 119.33 2qr1 h GLU 64 Ca -0.07 -0.20 0.00 0.00 0.08 0.00 0.00 59.36 59.17 2qr1 h GLU 64 Cb 1.54 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2qr1 h GLU 64 CO 0.07 0.79 -1.29 0.00 -2.18 0.00 0.00 179.01 176.39 2qr1 n ALA 65 N -2.47 2.80 -3.08 2.92 0.00 -1.08 -4.99 120.51 114.62 2qr1 n ALA 65 Ca 0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 2qr1 n ALA 65 Cb 0.27 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 18.81 2qr1 n ALA 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qr1 n ASN 66 N -2.39 -3.10 -4.09 0.00 4.13 0.15 -4.87 115.26 105.09 2qr1 n ASN 66 Ca -0.01 -0.41 -0.19 0.00 1.68 0.00 0.00 54.58 55.66 2qr1 n ASN 66 Cb 0.53 -3.65 -0.14 0.00 -1.54 0.00 0.00 39.78 34.98 2qr1 n ASN 66 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qr1 s LYS 67 N -5.28 0.84 0.23 3.52 1.02 -0.79 -2.18 119.74 117.10 2qr1 s LYS 67 Ca 0.14 -0.58 -0.32 0.00 0.02 0.00 0.00 55.97 55.24 2qr1 s LYS 67 Cb -0.06 -0.81 -0.13 0.00 -0.52 0.00 0.00 37.83 36.31 2qr1 s LYS 67 CO 0.50 0.21 1.58 0.34 -0.92 0.00 0.00 175.35 177.06 2qr1 n PHE 68 N 2.28 2.53 -0.99 3.18 7.35 -1.26 -0.26 117.46 130.29 2qr1 n PHE 68 Ca -0.16 0.25 0.07 0.00 -0.76 0.00 0.00 57.45 56.84 2qr1 n PHE 68 Cb 0.55 -2.57 0.10 0.00 0.35 0.00 0.00 39.48 37.91 2qr1 n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qr1 n ALA 69 N 2.83 2.16 0.00 3.13 0.00 0.23 -4.79 120.51 124.07 2qr1 n ALA 69 Ca 0.13 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.45 2qr1 n ALA 69 Cb 0.33 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2qr1 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qr1 n GLY 70 N -1.09 2.05 3.24 0.00 0.00 -1.25 -4.80 105.19 103.34 2qr1 n GLY 70 Ca 0.11 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 2qr1 n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qr1 s LEU 71 N 0.00 2.35 -0.28 0.99 2.96 -1.26 -0.32 118.68 123.11 2qr1 s LEU 71 Ca 0.00 -0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 53.23 2qr1 s LEU 71 Cb 0.00 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2qr1 s LEU 71 CO 0.00 0.10 0.49 -0.22 -1.32 0.00 0.00 176.35 175.40 2qr1 s LEU 72 N 0.72 4.12 0.08 -0.68 2.96 0.17 -4.94 118.68 121.12 2qr1 s LEU 72 Ca -0.08 0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2qr1 s LEU 72 Cb -0.16 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 2qr1 s LEU 72 CO 0.01 -0.32 -0.03 0.42 -1.32 0.00 0.00 176.35 175.11 2qr1 s THR 73 N 2.30 0.37 0.56 3.68 -4.23 -1.26 -0.92 115.64 116.13 2qr1 s THR 73 Ca 0.20 -1.87 0.33 0.00 -1.18 0.00 0.00 61.69 59.17 2qr1 s THR 73 Cb -0.16 -1.68 0.49 0.00 1.34 0.00 0.00 72.50 72.50 2qr1 s THR 73 CO 0.10 -0.86 1.79 0.24 -0.54 0.00 0.00 174.62 175.35 2qr1 h MET 74 N 3.03 0.00 -0.90 3.99 2.86 -1.84 0.38 114.93 122.45 2qr1 h MET 74 Ca -0.35 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.50 2qr1 h MET 74 Cb 1.16 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.75 2qr1 h MET 74 CO 0.64 0.00 0.60 0.00 1.06 0.00 0.00 176.91 179.21 2qr1 h ALA 75 N 1.35 2.22 -0.25 6.32 0.00 -1.90 -1.30 119.26 125.70 2qr1 h ALA 75 Ca 0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2qr1 h ALA 75 Cb 2.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2qr1 h ALA 75 CO -0.00 -0.51 0.16 -0.44 0.00 0.00 0.00 179.25 178.46 2qr1 h ASP 76 N 0.40 0.29 -0.47 0.00 5.19 -1.24 -0.28 116.42 120.30 2qr1 h ASP 76 Ca 0.47 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.78 2qr1 h ASP 76 Cb 1.19 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 2qr1 h ASP 76 CO -0.18 0.22 -0.04 -0.26 -3.12 0.00 0.00 179.24 175.86 2qr1 h PHE 77 N 0.34 0.94 -0.56 4.55 -1.00 -1.52 -2.31 116.94 117.37 2qr1 h PHE 77 Ca 0.09 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 2qr1 h PHE 77 Cb -0.03 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.26 2qr1 h PHE 77 CO -0.06 0.91 0.32 0.28 -1.61 0.00 0.00 178.31 178.16 2qr1 h VAL 78 N 0.70 1.17 0.01 -0.55 2.07 -0.99 -1.91 116.25 116.75 2qr1 h VAL 78 Ca 0.13 -0.40 -0.22 0.00 0.82 0.00 0.00 66.70 67.03 2qr1 h VAL 78 Cb 0.57 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2qr1 h VAL 78 CO 0.03 0.18 -0.93 0.78 0.02 0.00 0.00 177.57 177.65 2qr1 h ASN 79 N 0.78 0.39 -0.02 0.57 2.35 -0.85 -2.61 115.58 116.19 2qr1 h ASN 79 Ca 0.20 -0.32 -0.18 0.00 -0.55 0.00 0.00 56.30 55.45 2qr1 h ASN 79 Cb 0.00 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 2qr1 h ASN 79 CO -0.04 1.13 -0.64 1.62 -1.65 0.00 0.00 177.43 177.85 2qr1 h VAL 80 N 0.16 1.31 0.22 2.81 3.04 -1.13 -2.69 116.25 119.97 2qr1 h VAL 80 Ca -0.07 -1.90 -0.01 0.00 -1.01 0.00 0.00 66.70 63.72 2qr1 h VAL 80 Cb 1.57 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.72 2qr1 h VAL 80 CO 0.15 0.59 -0.11 0.40 -1.01 0.00 0.00 177.57 177.60 2qr1 h ILE 81 N 0.47 0.84 -0.76 3.17 2.04 -1.38 -1.55 117.51 120.34 2qr1 h ILE 81 Ca -0.01 -0.35 0.15 0.00 1.00 0.00 0.00 64.86 65.64 2qr1 h ILE 81 Cb 1.22 1.05 -0.14 0.00 -0.74 0.00 0.00 36.82 38.21 2qr1 h ILE 81 CO 0.12 0.08 -0.24 0.50 0.00 0.00 0.00 178.15 178.62 2qr1 h LYS 82 N -0.47 -0.03 0.13 2.37 3.11 -1.51 0.95 116.57 121.12 2qr1 h LYS 82 Ca -0.03 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2qr1 h LYS 82 Cb 0.36 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 2qr1 h LYS 82 CO 0.05 -0.02 -0.16 -0.92 -2.81 0.00 0.00 179.45 175.59 2qr1 h TYR 83 N -0.03 -0.42 -0.76 1.91 5.03 -1.15 0.11 116.97 121.65 2qr1 h TYR 83 Ca 0.35 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.71 2qr1 h TYR 83 Cb 0.57 0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.97 2qr1 h TYR 83 CO -0.64 -0.25 0.46 1.88 -1.32 0.00 0.00 178.16 178.30 2qr1 h TYR 84 N -0.34 0.86 -0.59 -3.82 0.05 -0.33 -1.09 116.97 111.71 2qr1 h TYR 84 Ca 0.01 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 2qr1 h TYR 84 Cb 0.34 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2qr1 h TYR 84 CO -0.15 0.45 0.17 1.88 -1.05 0.00 0.00 178.16 179.46 2qr1 h TYR 85 N 0.87 0.96 0.00 4.88 -1.99 -0.35 0.19 116.97 121.53 2qr1 h TYR 85 Ca 0.33 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.96 2qr1 h TYR 85 Cb 0.13 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.58 2qr1 h TYR 85 CO -0.05 0.81 0.00 1.04 -0.00 0.00 0.00 178.16 179.96 2qr1 n GLN 86 N -4.40 0.20 0.00 4.88 6.02 -0.02 -4.39 117.38 119.68 2qr1 n GLN 86 Ca 0.03 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 2qr1 n GLN 86 Cb 0.22 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.68 2qr1 n GLN 86 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2qr1 n SER 87 N -2.15 3.47 -4.73 1.08 7.64 -0.44 -5.03 113.62 113.46 2qr1 n SER 87 Ca 0.04 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.53 2qr1 n SER 87 Cb 0.33 0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 2qr1 n SER 87 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2qr1 s SER 88 N -2.75 6.85 -0.00 6.43 0.15 0.04 -4.92 113.70 119.50 2qr1 s SER 88 Ca 0.00 1.02 0.02 0.00 0.70 0.00 0.00 55.95 57.69 2qr1 s SER 88 Cb 0.00 -2.34 0.07 0.00 -1.71 0.00 0.00 66.02 62.04 2qr1 s SER 88 CO 0.00 -0.00 1.05 -1.20 1.20 0.00 0.00 173.24 174.29 2qr1 n SER 89 N 3.44 0.43 -3.85 5.45 7.64 -1.26 -4.71 113.62 120.76 2qr1 n SER 89 Ca -0.05 -2.00 -0.30 0.00 1.01 0.00 0.00 58.87 57.53 2qr1 n SER 89 Cb 0.51 -0.06 -0.15 0.00 -1.01 0.00 0.00 64.21 63.50 2qr1 n SER 89 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2qr1 s PHE 90 N -1.89 2.09 0.37 1.43 0.40 -1.26 -5.01 117.98 114.11 2qr1 s PHE 90 Ca 0.05 -1.74 0.10 0.00 -0.60 0.00 0.00 56.93 54.74 2qr1 s PHE 90 Cb 0.03 -1.69 0.73 0.00 0.51 0.00 0.00 43.02 42.60 2qr1 s PHE 90 CO 0.04 -0.80 1.87 -1.35 0.70 0.00 0.00 175.22 175.67 2qr1 h PRO 91 N 8.01 0.18 -0.00 0.24 0.11 -1.96 -1.56 132.00 137.02 2qr1 h PRO 91 Ca -0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2qr1 h PRO 91 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2qr1 h PRO 91 CO 0.43 0.41 0.00 -0.85 -0.21 0.00 0.00 178.00 177.78 2qr1 n GLU 92 N -4.20 1.08 0.17 1.05 0.00 -1.26 -3.87 120.64 113.60 2qr1 n GLU 92 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 57.16 57.06 2qr1 n GLU 92 Cb 0.33 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.63 2qr1 n GLU 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qr1 h ALA 93 N 4.04 1.41 -0.93 -1.84 0.00 -1.71 -2.48 119.26 117.74 2qr1 h ALA 93 Ca 0.00 -0.31 0.17 0.00 0.00 0.00 0.00 54.91 54.77 2qr1 h ALA 93 Cb 0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 2qr1 h ALA 93 CO 0.00 0.44 0.60 0.97 0.00 0.00 0.00 179.25 181.25 2qr1 h ILE 94 N 0.05 0.76 -1.00 0.00 6.09 -1.76 -1.89 117.51 119.75 2qr1 h ILE 94 Ca 0.00 -0.22 0.25 0.00 -1.37 0.00 0.00 64.86 63.52 2qr1 h ILE 94 Cb 0.60 0.05 -0.08 0.00 0.47 0.00 0.00 36.82 37.86 2qr1 h ILE 94 CO 0.04 0.12 0.65 0.00 -3.07 0.00 0.00 178.15 175.89 2qr1 h ALA 95 N 1.61 2.26 -1.68 0.18 0.00 -1.73 -1.92 119.26 117.99 2qr1 h ALA 95 Ca 0.49 0.04 0.52 0.00 0.00 0.00 0.00 54.91 55.97 2qr1 h ALA 95 Cb 0.89 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 2qr1 h ALA 95 CO -0.25 -0.62 1.15 -1.91 0.00 0.00 0.00 179.25 177.63 2qr1 n GLU 96 N -4.56 -0.02 -0.19 0.00 2.13 -0.71 -2.46 120.64 114.83 2qr1 n GLU 96 Ca 0.23 1.16 -0.13 0.00 0.66 0.00 0.00 57.16 59.08 2qr1 n GLU 96 Cb 0.82 -2.47 -0.10 0.00 0.27 0.00 0.00 31.44 29.97 2qr1 n GLU 96 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2qr1 h ILE 97 N 0.00 0.00 -1.29 6.31 2.04 -1.57 -2.11 117.51 120.89 2qr1 h ILE 97 Ca 0.91 0.00 0.39 0.00 1.00 0.00 0.00 64.86 67.15 2qr1 h ILE 97 Cb 3.30 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.32 2qr1 h ILE 97 CO -0.23 0.00 0.91 0.47 0.00 0.00 0.00 178.15 179.30 2qr1 n ASP 98 N -5.35 0.04 0.18 1.72 8.00 -1.03 0.11 116.55 120.21 2qr1 n ASP 98 Ca -0.02 0.77 0.14 0.00 0.71 0.00 0.00 54.79 56.38 2qr1 n ASP 98 Cb 0.33 -0.38 0.51 0.00 -0.02 0.00 0.00 41.12 41.55 2qr1 n ASP 98 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2qr1 h LYS 99 N 0.00 0.00 -6.85 -1.24 5.09 -1.63 -3.41 116.57 108.53 2qr1 h LYS 99 Ca 0.65 0.00 -0.48 0.00 0.09 0.00 0.00 60.65 60.91 2qr1 h LYS 99 Cb 2.50 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.82 2qr1 h LYS 99 CO -0.09 0.00 0.37 -0.06 -2.09 0.00 0.00 179.45 177.58 2qr1 s PHE 100 N -3.38 3.71 0.29 0.07 2.99 0.29 -4.91 117.98 117.04 2qr1 s PHE 100 Ca 0.05 1.79 -0.13 0.00 0.00 0.00 0.00 56.93 58.64 2qr1 s PHE 100 Cb 0.09 -3.01 -0.08 0.00 0.00 0.00 0.00 43.02 40.02 2qr1 s PHE 100 CO 0.50 0.08 0.67 1.03 -0.00 0.00 0.00 175.22 177.49 2qr1 s ARG 101 N -1.79 3.91 0.40 0.44 0.52 -1.26 -0.73 118.95 120.44 2qr1 s ARG 101 Ca 0.48 0.50 0.22 0.00 -0.52 0.00 0.00 55.73 56.40 2qr1 s ARG 101 Cb -0.23 -2.51 1.21 0.00 0.52 0.00 0.00 34.95 33.94 2qr1 s ARG 101 CO 0.29 0.21 1.70 -0.07 0.02 0.00 0.00 175.30 177.44 2qr1 h LEU 102 N 2.30 0.39 -1.06 2.53 4.07 -1.18 0.75 115.31 123.11 2qr1 h LEU 102 Ca -0.47 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.59 2qr1 h LEU 102 Cb 1.17 0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.95 2qr1 h LEU 102 CO 0.67 -0.04 0.40 0.25 -1.08 0.00 0.00 178.44 178.64 2qr1 h LEU 103 N 0.28 0.95 0.00 1.67 5.85 -1.61 -1.13 115.31 121.32 2qr1 h LEU 103 Ca 0.70 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.33 2qr1 h LEU 103 Cb 1.90 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.69 2qr1 h LEU 103 CO -0.40 0.78 -0.54 1.23 -0.34 0.00 0.00 178.44 179.17 2qr1 h GLY 104 N 1.10 0.00 0.77 3.75 0.00 0.14 -2.21 103.07 106.63 2qr1 h GLY 104 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 2qr1 h GLY 104 CO -0.04 0.00 -0.24 -2.00 0.00 0.00 0.00 176.54 174.26 2qr1 h LEU 105 N 0.00 0.46 -1.92 3.11 5.85 -0.87 -2.74 115.31 119.20 2qr1 h LEU 105 Ca 0.00 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 2qr1 h LEU 105 Cb 0.93 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2qr1 h LEU 105 CO 0.00 0.90 -0.10 0.03 -0.34 0.00 0.00 178.44 178.93 2qr1 h ARG 106 N 0.02 0.00 -0.11 1.25 3.08 -1.17 -1.05 114.38 116.40 2qr1 h ARG 106 Ca 0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2qr1 h ARG 106 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2qr1 h ARG 106 CO 0.05 0.10 -0.35 0.93 -1.07 0.00 0.00 179.97 179.64 2qr1 h GLU 107 N 0.00 0.43 -0.47 0.04 4.39 -1.39 -0.30 114.58 117.28 2qr1 h GLU 107 Ca -0.00 -0.32 0.06 0.00 0.34 0.00 0.00 59.36 59.45 2qr1 h GLU 107 Cb 0.21 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 2qr1 h GLU 107 CO 0.01 0.94 0.15 0.28 -1.16 0.00 0.00 179.01 179.24 2qr1 h VAL 108 N 0.00 0.83 -0.44 3.13 2.07 -1.07 0.24 116.25 121.00 2qr1 h VAL 108 Ca -0.01 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2qr1 h VAL 108 Cb 0.97 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2qr1 h VAL 108 CO 0.07 0.06 0.28 -0.33 0.02 0.00 0.00 177.57 177.67 2qr1 h GLU 109 N 0.32 0.56 0.14 1.57 5.08 -1.22 -0.23 114.58 120.79 2qr1 h GLU 109 Ca 0.22 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2qr1 h GLU 109 Cb 0.24 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2qr1 h GLU 109 CO -0.24 0.37 -0.32 -0.09 -1.00 0.00 0.00 179.01 177.73 2qr1 h ARG 110 N 0.57 -0.54 -0.17 2.33 9.65 -0.02 -0.80 114.38 125.40 2qr1 h ARG 110 Ca 0.17 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 2qr1 h ARG 110 Cb -0.04 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2qr1 h ARG 110 CO -0.05 -0.36 0.18 -0.22 2.80 0.00 0.00 179.97 182.32 2qr1 h LYS 111 N -0.56 0.00 -0.01 0.20 3.64 -0.32 -2.33 116.57 117.20 2qr1 h LYS 111 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2qr1 h LYS 111 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2qr1 h LYS 111 CO -0.17 0.00 -0.47 1.51 -2.27 0.00 0.00 179.45 178.04 2qr1 n ILE 112 N -3.91 0.00 0.00 2.00 0.13 -0.12 -4.92 119.36 112.54 2qr1 n ILE 112 Ca 0.01 -0.11 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 2qr1 n ILE 112 Cb 0.30 0.65 0.00 0.00 -0.84 0.00 0.00 39.64 39.75 2qr1 n ILE 112 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2qr1 n GLY 113 N 1.42 0.43 0.00 4.50 0.00 -0.63 -4.96 105.19 105.94 2qr1 n GLY 113 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 2qr1 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr1 n ALA 114 N -1.97 2.18 -2.61 4.61 0.00 -0.44 -4.71 120.51 117.57 2qr1 n ALA 114 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 2qr1 n ALA 114 Cb 0.00 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 2qr1 n ALA 114 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qr1 s ILE 115 N -2.38 0.98 0.70 0.00 1.01 -1.25 -4.94 121.20 115.32 2qr1 s ILE 115 Ca 0.24 -0.55 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 2qr1 s ILE 115 Cb 0.15 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.82 2qr1 s ILE 115 CO 0.30 0.26 1.22 -2.84 0.00 0.00 0.00 174.94 173.88 2qr1 s PRO 116 N -0.33 2.29 -0.05 2.79 0.02 -1.26 -4.88 135.00 133.57 2qr1 s PRO 116 Ca 0.05 1.82 -0.25 0.00 0.02 0.00 0.00 61.00 62.64 2qr1 s PRO 116 Cb -0.05 -1.84 -0.23 0.00 0.02 0.00 0.00 34.50 32.40 2qr1 s PRO 116 CO -0.00 -1.74 1.04 -1.35 -0.33 0.00 0.00 177.00 174.62 2qr1 h PRO 117 N -0.04 0.14 -5.88 5.54 0.11 -2.00 -3.45 132.00 126.43 2qr1 h PRO 117 Ca -0.48 -0.14 -0.57 0.00 0.11 0.00 0.00 66.00 64.91 2qr1 h PRO 117 Cb 1.30 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.38 2qr1 h PRO 117 CO 0.51 0.87 -0.44 -1.83 -0.21 0.00 0.00 178.00 176.89 2qr1 s GLU 118 N -3.22 2.27 -0.29 1.05 4.04 -1.26 -5.10 118.70 116.18 2qr1 s GLU 118 Ca -0.16 -1.89 0.00 0.00 0.04 0.00 0.00 54.97 52.97 2qr1 s GLU 118 Cb 0.01 -2.02 0.09 0.00 0.02 0.00 0.00 34.13 32.23 2qr1 s GLU 118 CO 0.73 -0.25 0.05 -0.08 -1.84 0.00 0.00 175.26 173.87 2qr1 s THR 119 N -2.64 1.30 0.23 1.83 -1.32 -1.26 -5.07 115.64 108.70 2qr1 s THR 119 Ca 0.38 -1.52 -0.30 0.00 -1.21 0.00 0.00 61.69 59.03 2qr1 s THR 119 Cb 0.02 -1.88 -0.09 0.00 -1.51 0.00 0.00 72.50 69.03 2qr1 s THR 119 CO 0.21 -0.51 1.32 -0.63 -2.21 0.00 0.00 174.62 172.80 2qr1 s ILE 120 N 1.43 3.08 -0.04 5.08 1.09 -1.26 -4.99 121.20 125.58 2qr1 s ILE 120 Ca 0.06 0.92 -0.31 0.00 -1.10 0.00 0.00 60.65 60.22 2qr1 s ILE 120 Cb -0.18 -3.59 0.12 0.00 -1.06 0.00 0.00 42.46 37.76 2qr1 s ILE 120 CO -0.16 0.15 1.25 -0.72 -0.10 0.00 0.00 174.94 175.36 2qr1 s TYR 121 N -0.11 -0.07 0.04 3.97 1.13 -1.26 -4.48 117.35 116.57 2qr1 s TYR 121 Ca 0.56 -0.04 -0.03 0.00 -1.41 0.00 0.00 57.07 56.15 2qr1 s TYR 121 Cb -0.37 0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 41.01 2qr1 s TYR 121 CO 0.41 -0.29 0.04 0.14 -2.51 0.00 0.00 175.55 173.34 2qr1 s VAL 122 N -2.47 0.16 0.13 -3.49 -7.23 -1.03 -4.99 120.40 101.48 2qr1 s VAL 122 Ca 0.13 -1.34 -0.31 0.00 -1.81 0.00 0.00 61.98 58.65 2qr1 s VAL 122 Cb 0.03 -1.07 -0.08 0.00 0.56 0.00 0.00 36.38 35.83 2qr1 s VAL 122 CO -0.04 -0.74 1.35 -2.28 -0.31 0.00 0.00 175.10 173.08 2qr1 s HIS 123 N -3.03 3.27 0.41 2.82 2.46 -1.25 -1.06 115.29 118.90 2qr1 s HIS 123 Ca -0.01 1.06 0.39 0.00 0.47 0.00 0.00 55.06 56.97 2qr1 s HIS 123 Cb 0.01 -3.64 1.94 0.00 -0.13 0.00 0.00 32.58 30.76 2qr1 s HIS 123 CO -0.07 -2.15 2.19 -1.35 -2.47 0.00 0.00 174.74 170.90 2qr1 h PRO 124 N 6.40 0.00 -0.01 2.88 0.11 -1.88 -2.23 132.00 137.27 2qr1 h PRO 124 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2qr1 h PRO 124 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qr1 h PRO 124 CO 0.83 0.00 -0.14 -1.33 -0.21 0.00 0.00 178.00 177.16 2qr1 n MET 125 N -3.10 1.41 -2.00 1.05 2.81 -1.26 -0.35 117.12 115.68 2qr1 n MET 125 Ca -0.01 -0.91 -0.29 0.00 -1.81 0.00 0.00 57.70 54.67 2qr1 n MET 125 Cb 0.18 -1.48 0.17 0.00 -0.71 0.00 0.00 33.22 31.38 2qr1 n MET 125 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2qr1 s HIS 126 N -2.22 1.76 0.40 2.03 3.76 -0.84 -4.91 115.29 115.26 2qr1 s HIS 126 Ca 0.30 0.31 -0.25 0.00 -0.15 0.00 0.00 55.06 55.26 2qr1 s HIS 126 Cb 0.20 -3.93 -0.08 0.00 1.11 0.00 0.00 32.58 29.87 2qr1 s HIS 126 CO 0.42 -2.45 1.21 0.45 -0.85 0.00 0.00 174.74 173.52 2qr1 s SER 127 N -4.84 6.46 0.38 1.40 0.15 -1.26 -3.06 113.70 112.93 2qr1 s SER 127 Ca 0.72 2.44 0.08 0.00 0.70 0.00 0.00 55.95 59.89 2qr1 s SER 127 Cb -0.05 -2.62 0.82 0.00 -1.71 0.00 0.00 66.02 62.46 2qr1 s SER 127 CO 0.52 -0.73 1.96 0.25 1.20 0.00 0.00 173.24 176.44 2qr1 h LEU 128 N 2.66 0.59 -0.78 3.45 5.85 -0.79 0.76 115.31 127.05 2qr1 h LEU 128 Ca -0.49 0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.41 2qr1 h LEU 128 Cb 1.24 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 42.04 2qr1 h LEU 128 CO 0.63 0.37 0.27 -0.03 -0.34 0.00 0.00 178.44 179.34 2qr1 h MET 129 N 0.66 0.36 -0.72 1.25 4.05 -1.79 -0.91 114.93 117.83 2qr1 h MET 129 Ca 0.31 -0.02 0.16 0.00 -0.28 0.00 0.00 59.70 59.86 2qr1 h MET 129 Cb 0.35 -0.08 -0.11 0.00 -0.80 0.00 0.00 31.60 30.96 2qr1 h MET 129 CO -0.10 0.24 0.14 -0.44 0.23 0.00 0.00 176.91 176.97 2qr1 h ASP 130 N 0.37 -0.06 -0.91 1.39 5.19 -1.20 0.11 116.42 121.32 2qr1 h ASP 130 Ca 0.45 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 57.01 2qr1 h ASP 130 Cb 0.76 0.22 -0.04 0.00 0.18 0.00 0.00 39.33 40.44 2qr1 h ASP 130 CO -0.48 -0.06 0.57 0.00 -3.12 0.00 0.00 179.24 176.15 2qr1 h ALA 131 N 1.61 1.29 -0.04 3.45 0.00 -1.19 -2.78 119.26 121.59 2qr1 h ALA 131 Ca 0.40 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2qr1 h ALA 131 Cb 0.68 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qr1 h ALA 131 CO -0.52 0.63 -0.24 0.00 0.00 0.00 0.00 179.25 179.12 2qr1 h LEU 133 N -0.32 0.54 0.20 0.00 3.38 -1.18 -0.40 115.31 117.53 2qr1 h LEU 133 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qr1 h LEU 133 Cb 0.90 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2qr1 h LEU 133 CO 0.05 0.28 -0.10 0.00 0.09 0.00 0.00 178.44 178.76 2qr1 h ALA 134 N 1.48 -0.27 0.00 1.53 0.00 -1.50 0.49 119.26 120.99 2qr1 h ALA 134 Ca 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qr1 h ALA 134 Cb 0.46 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qr1 h ALA 134 CO -0.29 -0.45 0.05 -1.33 0.00 0.00 0.00 179.25 177.22 2qr1 n MET 135 N -5.04 0.09 -0.00 0.00 2.81 -0.85 -1.25 117.12 112.87 2qr1 n MET 135 Ca -0.09 0.57 0.04 0.00 -1.81 0.00 0.00 57.70 56.42 2qr1 n MET 135 Cb 0.25 -1.85 -0.06 0.00 -0.71 0.00 0.00 33.22 30.85 2qr1 n MET 135 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2qr1 n SER 136 N -1.98 2.22 0.05 7.83 3.41 -0.19 -3.15 113.62 121.80 2qr1 n SER 136 Ca -0.01 -0.22 -0.07 0.00 -0.26 0.00 0.00 58.87 58.31 2qr1 n SER 136 Cb 0.07 1.27 -0.05 0.00 -0.26 0.00 0.00 64.21 65.24 2qr1 n SER 136 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2qr1 h LYS 137 N 0.00 -0.23 -6.96 4.33 3.64 0.13 -3.40 116.57 114.09 2qr1 h LYS 137 Ca 0.00 0.02 -0.46 0.00 -1.27 0.00 0.00 60.65 58.94 2qr1 h LYS 137 Cb 0.33 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2qr1 h LYS 137 CO 0.00 0.06 0.29 -1.54 -2.27 0.00 0.00 179.45 175.99 2qr1 s SER 138 N -5.40 6.97 -0.15 4.20 1.04 -0.38 -4.97 113.70 115.01 2qr1 s SER 138 Ca -0.08 1.63 -0.00 0.00 0.48 0.00 0.00 55.95 57.97 2qr1 s SER 138 Cb 0.00 -2.51 0.12 0.00 0.10 0.00 0.00 66.02 63.73 2qr1 s SER 138 CO 0.29 -0.28 1.80 -1.14 0.98 0.00 0.00 173.24 174.90 2qr1 n ARG 139 N -0.37 1.38 -2.15 4.02 3.00 -1.26 -4.27 116.66 117.01 2qr1 n ARG 139 Ca 0.05 -0.77 -0.40 0.00 -0.00 0.00 0.00 57.85 56.73 2qr1 n ARG 139 Cb 0.53 -1.30 -0.02 0.00 0.00 0.00 0.00 32.46 31.67 2qr1 n ARG 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qr1 s ALA 140 N -0.89 3.34 -2.01 5.13 0.00 -1.19 -4.72 121.76 121.42 2qr1 s ALA 140 Ca 0.15 1.17 0.18 0.00 0.00 0.00 0.00 51.96 53.46 2qr1 s ALA 140 Cb 0.12 -3.45 0.26 0.00 0.00 0.00 0.00 23.12 20.05 2qr1 s ALA 140 CO 0.01 -0.66 1.19 0.54 0.00 0.00 0.00 175.76 176.83 2qr1 n ARG 141 N 0.43 1.94 -3.65 0.00 1.74 -0.79 -4.58 116.66 111.74 2qr1 n ARG 141 Ca 0.02 -1.85 -0.12 0.00 -0.77 0.00 0.00 57.85 55.13 2qr1 n ARG 141 Cb 0.43 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 2qr1 n ARG 141 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2qr1 s ARG 142 N -1.34 0.96 -0.08 5.56 1.70 -1.26 -2.11 118.95 122.39 2qr1 s ARG 142 Ca 0.27 -0.45 -0.06 0.00 -0.47 0.00 0.00 55.73 55.01 2qr1 s ARG 142 Cb 0.17 0.43 0.03 0.00 -0.57 0.00 0.00 34.95 35.00 2qr1 s ARG 142 CO 0.24 -0.34 0.21 -1.50 -1.08 0.00 0.00 175.30 172.82 2qr1 s ILE 143 N -2.83 -0.01 0.27 4.99 2.07 0.14 -4.94 121.20 120.88 2qr1 s ILE 143 Ca -0.03 0.05 -0.30 0.00 -1.41 0.00 0.00 60.65 58.96 2qr1 s ILE 143 Cb -0.00 -0.30 -0.09 0.00 0.13 0.00 0.00 42.46 42.19 2qr1 s ILE 143 CO -0.05 0.02 1.09 -2.16 -1.91 0.00 0.00 174.94 171.93 2qr1 s PRO 144 N 0.43 4.65 -0.41 3.50 0.04 -1.26 0.19 135.00 142.14 2qr1 s PRO 144 Ca -0.03 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 2qr1 s PRO 144 Cb -0.04 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.31 2qr1 s PRO 144 CO -0.02 0.21 0.34 -0.51 0.04 0.00 0.00 177.00 177.06 2qr1 s LEU 145 N -1.30 4.98 -0.10 -3.56 1.43 0.16 -2.46 118.68 117.82 2qr1 s LEU 145 Ca 0.45 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2qr1 s LEU 145 Cb -0.31 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.68 2qr1 s LEU 145 CO 0.40 -0.47 -0.20 -0.63 0.23 0.00 0.00 176.35 175.67 2qr1 s ILE 146 N 1.83 1.83 0.42 -0.59 -1.09 -0.22 -0.40 121.20 122.98 2qr1 s ILE 146 Ca 0.07 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.68 2qr1 s ILE 146 Cb -0.18 -1.61 -0.07 0.00 -1.58 0.00 0.00 42.46 39.02 2qr1 s ILE 146 CO 0.11 0.51 0.01 -0.62 -1.23 0.00 0.00 174.94 173.72 2qr1 s ASP 147 N 0.56 3.87 -0.09 3.58 -1.08 -0.50 -3.86 116.67 119.15 2qr1 s ASP 147 Ca -0.15 -1.42 0.01 0.00 -0.52 0.00 0.00 52.55 50.47 2qr1 s ASP 147 Cb -0.17 -0.23 0.02 0.00 -1.46 0.00 0.00 42.92 41.08 2qr1 s ASP 147 CO 0.05 -0.52 -0.10 -0.69 0.52 0.00 0.00 175.17 174.43 2qr1 s VAL 148 N -2.76 1.06 -0.50 1.11 1.01 -1.26 0.13 120.40 119.19 2qr1 s VAL 148 Ca 0.30 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 2qr1 s VAL 148 Cb 0.09 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.46 2qr1 s VAL 148 CO 0.15 0.36 1.29 -0.62 0.00 0.00 0.00 175.10 176.28 2qr1 s ASP 149 N 1.20 6.39 0.20 3.32 -1.08 -0.62 -4.90 116.67 121.18 2qr1 s ASP 149 Ca -0.05 0.45 0.22 0.00 -0.52 0.00 0.00 52.55 52.65 2qr1 s ASP 149 Cb -0.14 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.68 2qr1 s ASP 149 CO -0.02 -1.46 1.66 0.61 0.52 0.00 0.00 175.17 176.48 2qr1 n GLY 150 N 5.06 -1.23 0.17 2.66 0.00 -1.26 0.99 105.19 111.57 2qr1 n GLY 150 Ca 0.13 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.23 2qr1 n GLY 150 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qr1 h GLU 151 N 0.00 0.00 0.00 1.61 4.57 -1.96 -3.37 114.58 115.43 2qr1 h GLU 151 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qr1 h GLU 151 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2qr1 h GLU 151 CO 0.00 0.47 -0.92 0.25 -1.18 0.00 0.00 179.01 177.62 2qr1 n THR 152 N -3.50 0.00 0.00 0.32 -2.24 -0.86 -5.00 114.28 102.99 2qr1 n THR 152 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qr1 n THR 152 Cb 0.59 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2qr1 n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qr1 n GLY 153 N 2.48 2.59 3.74 3.38 0.00 0.28 -5.01 105.19 112.65 2qr1 n GLY 153 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2qr1 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qr1 s SER 154 N -3.59 4.70 0.22 1.61 1.04 -1.24 -4.75 113.70 111.68 2qr1 s SER 154 Ca 0.00 2.51 -0.09 0.00 0.48 0.00 0.00 55.95 58.85 2qr1 s SER 154 Cb 0.00 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 2qr1 s SER 154 CO 0.00 -1.93 0.53 -1.61 0.98 0.00 0.00 173.24 171.21 2qr1 s GLU 155 N -3.46 3.79 -0.34 4.02 2.02 -0.93 -1.58 118.70 122.22 2qr1 s GLU 155 Ca 0.80 0.24 0.03 0.00 0.02 0.00 0.00 54.97 56.06 2qr1 s GLU 155 Cb -0.34 -2.68 0.10 0.00 0.10 0.00 0.00 34.13 31.31 2qr1 s GLU 155 CO 0.39 0.34 0.05 1.41 0.02 0.00 0.00 175.26 177.46 2qr1 s MET 156 N -2.76 1.62 -0.48 1.61 -2.45 0.35 -4.87 119.30 112.31 2qr1 s MET 156 Ca 0.46 -1.81 -0.28 0.00 -1.25 0.00 0.00 55.69 52.81 2qr1 s MET 156 Cb -0.11 -3.21 -0.01 0.00 1.25 0.00 0.00 34.83 32.75 2qr1 s MET 156 CO 0.21 -0.91 1.69 0.42 1.05 0.00 0.00 175.02 177.48 2qr1 s ILE 157 N 0.95 3.56 -0.12 10.11 1.01 -1.26 -1.42 121.20 134.02 2qr1 s ILE 157 Ca 0.08 0.49 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 2qr1 s ILE 157 Cb -0.19 -3.98 -0.26 0.00 0.01 0.00 0.00 42.46 38.04 2qr1 s ILE 157 CO -0.07 -0.78 0.59 0.58 0.00 0.00 0.00 174.94 175.26 2qr1 h VAL 158 N 6.70 1.26 -2.70 2.92 2.07 -1.11 -3.50 116.25 121.89 2qr1 h VAL 158 Ca -0.29 -2.37 0.10 0.00 0.82 0.00 0.00 66.70 64.96 2qr1 h VAL 158 Cb 1.14 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.73 2qr1 h VAL 158 CO 1.13 0.60 0.46 -0.55 0.02 0.00 0.00 177.57 179.24 2qr1 s SER 159 N -6.80 -0.01 -0.09 0.57 0.15 -1.18 -4.96 113.70 101.37 2qr1 s SER 159 Ca -0.20 -0.82 0.04 0.00 0.70 0.00 0.00 55.95 55.66 2qr1 s SER 159 Cb 0.02 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2qr1 s SER 159 CO 0.72 -1.24 -0.22 -0.69 1.20 0.00 0.00 173.24 173.01 2qr1 s VAL 160 N -2.31 1.91 -0.20 4.45 1.01 -1.26 0.40 120.40 124.39 2qr1 s VAL 160 Ca 0.19 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2qr1 s VAL 160 Cb -0.03 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2qr1 s VAL 160 CO 0.07 0.53 0.07 -0.22 0.00 0.00 0.00 175.10 175.55 2qr1 s LEU 161 N 0.40 3.80 0.24 3.92 2.96 0.13 -4.88 118.68 125.24 2qr1 s LEU 161 Ca -0.18 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2qr1 s LEU 161 Cb -0.18 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2qr1 s LEU 161 CO 0.08 0.13 0.39 0.42 -1.32 0.00 0.00 176.35 176.05 2qr1 s THR 162 N 0.63 5.23 0.14 3.68 -4.23 -1.26 0.25 115.64 120.08 2qr1 s THR 162 Ca 0.04 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 2qr1 s THR 162 Cb -0.13 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 69.90 2qr1 s THR 162 CO 0.01 -0.30 1.72 1.56 -0.54 0.00 0.00 174.62 177.08 2qr1 h GLN 163 N 1.42 0.13 -0.72 3.99 4.20 -1.80 -2.50 115.11 119.83 2qr1 h GLN 163 Ca -0.50 -0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.36 2qr1 h GLN 163 Cb 1.21 -0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.85 2qr1 h GLN 163 CO 0.64 0.09 0.09 -0.92 -0.67 0.00 0.00 178.83 178.05 2qr1 h TYR 164 N 0.14 0.10 0.00 2.96 5.03 -1.92 -1.33 116.97 121.95 2qr1 h TYR 164 Ca 0.14 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.50 2qr1 h TYR 164 Cb 0.16 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.51 2qr1 h TYR 164 CO -0.19 -0.16 0.00 0.00 -1.32 0.00 0.00 178.16 176.49 2qr1 h ARG 165 N 0.18 0.00 -0.01 1.82 2.47 -1.86 -1.07 114.38 115.91 2qr1 h ARG 165 Ca 0.40 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 59.07 2qr1 h ARG 165 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 2qr1 h ARG 165 CO -0.57 0.00 -0.20 0.82 0.56 0.00 0.00 179.97 180.58 2qr1 h ILE 166 N 0.00 1.54 -0.73 2.04 2.04 -0.98 -2.86 117.51 118.57 2qr1 h ILE 166 Ca 0.00 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 2qr1 h ILE 166 Cb 0.68 2.70 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 2qr1 h ILE 166 CO 0.00 0.51 0.41 -0.07 0.00 0.00 0.00 178.15 178.99 2qr1 h LEU 167 N -0.51 0.89 -0.36 1.44 3.38 -1.09 -1.32 115.31 117.73 2qr1 h LEU 167 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2qr1 h LEU 167 Cb 0.94 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2qr1 h LEU 167 CO 0.04 0.71 0.19 0.50 0.09 0.00 0.00 178.44 179.97 2qr1 h LYS 168 N 1.01 0.51 -0.67 1.13 3.64 -1.30 0.14 116.57 121.03 2qr1 h LYS 168 Ca 0.26 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2qr1 h LYS 168 Cb 0.01 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 2qr1 h LYS 168 CO -0.04 0.43 0.34 0.35 -2.27 0.00 0.00 179.45 178.25 2qr1 h PHE 169 N 0.46 0.60 -0.46 1.91 3.04 -1.21 0.38 116.94 121.66 2qr1 h PHE 169 Ca 0.13 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.98 2qr1 h PHE 169 Cb 0.07 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 2qr1 h PHE 169 CO -0.02 0.24 -0.20 0.82 -2.02 0.00 0.00 178.31 177.13 2qr1 h ILE 170 N 0.59 1.27 -0.45 1.41 2.04 -0.95 -2.43 117.51 118.99 2qr1 h ILE 170 Ca 0.32 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 2qr1 h ILE 170 Cb 0.30 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2qr1 h ILE 170 CO -0.24 0.46 0.02 0.77 0.00 0.00 0.00 178.15 179.16 2qr1 h SER 171 N 0.80 0.69 1.38 1.72 4.64 0.58 -1.54 113.55 121.83 2qr1 h SER 171 Ca 0.11 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2qr1 h SER 171 Cb 0.75 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2qr1 h SER 171 CO 0.06 0.75 -0.35 0.24 -0.87 0.00 0.00 176.83 176.65 2qr1 h MET 172 N 0.69 0.00 0.00 4.77 2.86 -0.88 -3.39 114.93 118.98 2qr1 h MET 172 Ca 0.14 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2qr1 h MET 172 Cb 0.39 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2qr1 h MET 172 CO 0.01 0.00 -1.37 0.09 1.06 0.00 0.00 176.91 176.71 2qr1 n ASN 173 N -2.55 3.20 -4.23 1.22 3.02 -0.92 -4.94 115.26 110.06 2qr1 n ASN 173 Ca 0.03 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.20 2qr1 n ASN 173 Cb 0.48 1.33 -0.11 0.00 -0.61 0.00 0.00 39.78 40.87 2qr1 n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qr1 h LYS 175 N 8.25 0.00 0.00 0.00 3.64 -1.90 -2.25 116.57 124.31 2qr1 h LYS 175 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2qr1 h LYS 175 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2qr1 h LYS 175 CO 0.69 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.26 2qr1 n GLU 176 N -4.24 0.35 0.20 1.90 4.71 -1.26 -2.27 120.64 120.03 2qr1 n GLU 176 Ca 0.18 0.08 0.04 0.00 -0.01 0.00 0.00 57.16 57.45 2qr1 n GLU 176 Cb 0.93 -1.50 0.43 0.00 -1.01 0.00 0.00 31.44 30.29 2qr1 n GLU 176 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2qr1 h THR 177 N 0.00 1.13 0.00 2.62 1.35 -1.76 -2.70 112.91 113.54 2qr1 h THR 177 Ca 0.00 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2qr1 h THR 177 Cb 0.10 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2qr1 h THR 177 CO 0.00 0.30 0.00 0.00 -0.25 0.00 0.00 175.52 175.57 2qr1 n ALA 178 N -2.44 2.18 0.53 6.62 0.00 -0.96 -2.48 120.51 123.97 2qr1 n ALA 178 Ca -0.02 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.38 2qr1 n ALA 178 Cb 0.37 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.52 2qr1 n ALA 178 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2qr1 n MET 179 N -1.27 1.15 -2.60 0.00 2.00 -1.02 -4.74 117.12 110.64 2qr1 n MET 179 Ca 0.11 -1.43 -0.42 0.00 0.00 0.00 0.00 57.70 55.96 2qr1 n MET 179 Cb 0.18 -1.28 -0.01 0.00 0.00 0.00 0.00 33.22 32.10 2qr1 n MET 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2qr1 s LEU 180 N -1.18 3.81 -0.19 4.03 1.43 -1.03 -3.73 118.68 121.82 2qr1 s LEU 180 Ca 0.18 -2.10 0.16 0.00 -1.03 0.00 0.00 54.13 51.34 2qr1 s LEU 180 Cb 0.12 -2.56 0.56 0.00 0.03 0.00 0.00 46.19 44.34 2qr1 s LEU 180 CO 0.18 -1.27 1.46 0.54 0.23 0.00 0.00 176.35 177.49 2qr1 n ARG 181 N 8.40 3.10 -3.34 1.70 1.74 -1.26 -1.33 116.66 125.67 2qr1 n ARG 181 Ca 0.42 -2.88 -0.39 0.00 -0.77 0.00 0.00 57.85 54.23 2qr1 n ARG 181 Cb 0.48 -1.89 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 2qr1 n ARG 181 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qr1 s VAL 182 N -2.84 5.15 0.43 1.55 1.01 -1.26 -4.93 120.40 119.51 2qr1 s VAL 182 Ca 0.44 0.73 -0.26 0.00 0.00 0.00 0.00 61.98 62.89 2qr1 s VAL 182 Cb 0.35 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 2qr1 s VAL 182 CO 0.09 0.18 1.44 -0.81 0.00 0.00 0.00 175.10 176.01 2qr1 n PRO 183 N 4.99 2.35 -0.33 2.72 -0.04 -1.26 -4.18 135.00 139.25 2qr1 n PRO 183 Ca -0.07 0.83 0.20 0.00 -0.04 0.00 0.00 63.50 64.43 2qr1 n PRO 183 Cb 0.51 -2.64 0.42 0.00 -0.04 0.00 0.00 33.50 31.75 2qr1 n PRO 183 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2qr1 h LEU 184 N 2.45 0.52 0.00 1.53 4.07 -0.66 -1.23 115.31 121.98 2qr1 h LEU 184 Ca -0.51 0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2qr1 h LEU 184 Cb 1.26 0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.11 2qr1 h LEU 184 CO 0.62 -0.05 0.00 -0.46 -1.08 0.00 0.00 178.44 177.47 2qr1 n ASN 185 N -5.01 0.00 -0.05 -0.43 2.04 -1.02 -2.52 115.26 108.27 2qr1 n ASN 185 Ca 0.29 0.30 -0.20 0.00 -0.44 0.00 0.00 54.58 54.52 2qr1 n ASN 185 Cb 0.86 -0.40 -0.13 0.00 -2.53 0.00 0.00 39.78 37.57 2qr1 n ASN 185 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qr1 n GLN 186 N -1.40 0.71 -1.31 -3.83 6.02 -0.47 -4.98 117.38 112.12 2qr1 n GLN 186 Ca 0.06 0.24 -0.30 0.00 -0.01 0.00 0.00 57.00 56.99 2qr1 n GLN 186 Cb 0.16 -1.64 0.21 0.00 1.02 0.00 0.00 30.24 29.99 2qr1 n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qr1 s MET 187 N -2.54 -0.32 -0.34 -1.09 0.23 -1.05 -5.04 119.30 109.15 2qr1 s MET 187 Ca -0.27 0.00 0.00 0.00 -1.03 0.00 0.00 55.69 54.39 2qr1 s MET 187 Cb 0.08 -1.70 0.09 0.00 -1.53 0.00 0.00 34.83 31.77 2qr1 s MET 187 CO 0.70 -3.13 0.07 0.99 -2.03 0.00 0.00 175.02 171.62 2qr1 s THR 188 N -3.20 2.75 -0.17 3.16 2.01 -1.26 -5.00 115.64 113.93 2qr1 s THR 188 Ca 0.70 -1.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.46 2qr1 s THR 188 Cb -0.11 -2.83 0.12 0.00 0.01 0.00 0.00 72.50 69.69 2qr1 s THR 188 CO 0.55 -0.45 0.95 -0.51 -0.69 0.00 0.00 174.62 174.47 2qr1 s ILE 189 N 1.08 0.00 0.19 1.82 2.07 -1.26 -5.04 121.20 120.07 2qr1 s ILE 189 Ca 0.04 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2qr1 s ILE 189 Cb -0.21 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.38 2qr1 s ILE 189 CO -0.05 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 2qr1 n GLY 190 N 1.13 -1.94 3.49 1.50 0.00 -1.26 -4.92 105.19 103.19 2qr1 n GLY 190 Ca -0.12 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 2qr1 n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qr1 s THR 191 N -2.11 3.56 0.00 2.61 2.01 -0.84 -4.97 115.64 115.90 2qr1 s THR 191 Ca 0.00 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2qr1 s THR 191 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.01 2qr1 s THR 191 CO 0.00 0.54 0.64 0.79 -0.69 0.00 0.00 174.62 175.90 2qr1 n TRP 192 N 3.04 0.00 -3.56 4.92 7.02 -1.26 -1.19 117.44 126.41 2qr1 n TRP 192 Ca -0.18 -0.20 -0.13 0.00 -1.02 0.00 0.00 57.50 55.98 2qr1 n TRP 192 Cb 0.53 -0.02 -0.05 0.00 -2.42 0.00 0.00 31.31 29.35 2qr1 n TRP 192 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2qr1 s SER 193 N -0.40 -0.42 -1.41 -0.99 1.04 -1.26 -4.83 113.70 105.42 2qr1 s SER 193 Ca 0.00 0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 2qr1 s SER 193 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2qr1 s SER 193 CO 0.00 -0.79 0.46 0.59 0.98 0.00 0.00 173.24 174.48 2qr1 n ASN 194 N 0.16 -5.58 -4.77 7.02 5.03 -1.26 -4.96 115.26 110.90 2qr1 n ASN 194 Ca -0.18 -0.22 -0.41 0.00 0.87 0.00 0.00 54.58 54.65 2qr1 n ASN 194 Cb 0.62 -4.44 -0.01 0.00 -1.02 0.00 0.00 39.78 34.92 2qr1 n ASN 194 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2qr1 s LEU 195 N -5.85 4.34 -0.23 3.41 1.43 -1.26 -4.95 118.68 115.58 2qr1 s LEU 195 Ca 0.23 2.95 -0.25 0.00 -1.03 0.00 0.00 54.13 56.03 2qr1 s LEU 195 Cb -0.10 -3.65 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 2qr1 s LEU 195 CO 0.28 -0.83 0.87 0.00 0.23 0.00 0.00 176.35 176.89 2qr1 s ALA 196 N -0.73 3.63 0.24 4.21 0.00 -1.26 -5.03 121.76 122.82 2qr1 s ALA 196 Ca 0.56 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.53 2qr1 s ALA 196 Cb -0.46 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 2qr1 s ALA 196 CO 0.56 -0.89 -0.06 -0.08 0.00 0.00 0.00 175.76 175.29 2qr1 s THR 197 N 2.77 1.41 0.20 0.00 -1.32 -1.26 -4.03 115.64 113.41 2qr1 s THR 197 Ca 0.37 -2.10 -0.10 0.00 -1.21 0.00 0.00 61.69 58.66 2qr1 s THR 197 Cb -0.15 -2.30 -0.01 0.00 -1.51 0.00 0.00 72.50 68.53 2qr1 s THR 197 CO 0.08 -0.40 0.34 0.00 -2.21 0.00 0.00 174.62 172.44 2qr1 s ALA 198 N -3.17 0.03 0.52 11.08 0.00 0.59 -4.93 121.76 125.87 2qr1 s ALA 198 Ca 0.27 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2qr1 s ALA 198 Cb 0.04 1.00 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 2qr1 s ALA 198 CO 0.09 -0.72 0.00 -1.54 0.00 0.00 0.00 175.76 173.60 2qr1 s SER 199 N -3.01 4.12 0.35 0.00 1.04 -1.26 0.10 113.70 115.03 2qr1 s SER 199 Ca 0.22 -1.68 0.08 0.00 0.48 0.00 0.00 55.95 55.05 2qr1 s SER 199 Cb 0.02 0.59 0.64 0.00 0.10 0.00 0.00 66.02 67.37 2qr1 s SER 199 CO 0.05 -0.88 1.83 0.24 0.98 0.00 0.00 173.24 175.45 2qr1 h MET 200 N 1.33 0.27 0.00 4.02 2.86 -1.95 -2.75 114.93 118.71 2qr1 h MET 200 Ca -0.44 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.06 2qr1 h MET 200 Cb 1.32 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 2qr1 h MET 200 CO 0.73 0.48 -0.30 0.93 1.06 0.00 0.00 176.91 179.82 2qr1 h GLU 201 N 0.25 0.00 -7.00 1.72 3.07 -1.96 -1.95 114.58 108.70 2qr1 h GLU 201 Ca 0.04 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.35 2qr1 h GLU 201 Cb 0.53 0.00 0.14 0.00 -0.84 0.00 0.00 28.75 28.58 2qr1 h GLU 201 CO 0.04 0.30 0.60 2.41 -1.40 0.00 0.00 179.01 180.96 2qr1 n THR 202 N -3.57 3.52 -3.19 1.13 -1.04 -1.04 -4.61 114.28 105.49 2qr1 n THR 202 Ca -0.01 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.15 2qr1 n THR 202 Cb 0.44 -1.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 2qr1 n THR 202 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2qr1 s LYS 203 N -2.74 4.16 0.18 -2.82 -0.14 -1.26 0.42 119.74 117.54 2qr1 s LYS 203 Ca 0.69 0.75 -0.13 0.00 -1.36 0.00 0.00 55.97 55.92 2qr1 s LYS 203 Cb -0.43 -2.90 0.09 0.00 -1.68 0.00 0.00 37.83 32.91 2qr1 s LYS 203 CO 0.52 0.43 1.83 0.28 -0.76 0.00 0.00 175.35 177.65 2qr1 h VAL 204 N 2.78 1.17 0.00 3.17 2.07 -1.38 0.27 116.25 124.33 2qr1 h VAL 204 Ca -0.48 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2qr1 h VAL 204 Cb 1.19 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2qr1 h VAL 204 CO 0.65 0.17 -0.06 0.10 0.02 0.00 0.00 177.57 178.45 2qr1 h TYR 205 N 0.81 0.00 -0.35 1.57 -0.00 -1.81 0.17 116.97 117.36 2qr1 h TYR 205 Ca 0.22 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 58.79 2qr1 h TYR 205 Cb -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.67 2qr1 h TYR 205 CO -0.03 0.06 -0.39 -0.44 -0.00 0.00 0.00 178.16 177.36 2qr1 h ASP 206 N 0.00 0.92 -0.35 0.10 3.32 -1.30 -1.39 116.42 117.72 2qr1 h ASP 206 Ca -0.00 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 2qr1 h ASP 206 Cb 0.12 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2qr1 h ASP 206 CO 0.01 1.20 0.08 0.58 -1.72 0.00 0.00 179.24 179.39 2qr1 h VAL 207 N 0.70 1.20 -0.14 -1.35 2.07 -0.70 -1.40 116.25 116.63 2qr1 h VAL 207 Ca 0.06 -0.73 -0.18 0.00 0.82 0.00 0.00 66.70 66.66 2qr1 h VAL 207 Cb 0.97 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2qr1 h VAL 207 CO 0.09 0.27 -0.66 0.40 0.02 0.00 0.00 177.57 177.68 2qr1 h ILE 208 N 0.63 1.33 -0.36 4.57 2.04 -0.52 -1.78 117.51 123.42 2qr1 h ILE 208 Ca 0.14 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.02 2qr1 h ILE 208 Cb 0.27 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2qr1 h ILE 208 CO 0.00 0.61 0.15 0.50 0.00 0.00 0.00 178.15 179.40 2qr1 h LYS 209 N 0.40 0.54 -0.56 2.37 3.64 -0.95 -1.46 116.57 120.55 2qr1 h LYS 209 Ca -0.02 -0.10 0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2qr1 h LYS 209 Cb 1.24 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.89 2qr1 h LYS 209 CO 0.12 0.52 0.09 0.52 -2.27 0.00 0.00 179.45 178.44 2qr1 h MET 210 N 0.44 0.21 -0.54 1.90 2.86 -1.14 0.16 114.93 118.84 2qr1 h MET 210 Ca 0.12 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2qr1 h MET 210 Cb 0.18 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2qr1 h MET 210 CO -0.01 0.14 0.31 -0.07 1.06 0.00 0.00 176.91 178.34 2qr1 h LEU 211 N 0.22 0.66 -0.21 1.22 3.38 -0.80 -1.77 115.31 118.01 2qr1 h LEU 211 Ca 0.29 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2qr1 h LEU 211 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2qr1 h LEU 211 CO -0.40 0.54 -0.11 0.00 0.09 0.00 0.00 178.44 178.57 2qr1 h ALA 212 N 1.14 0.30 -0.65 1.53 0.00 -1.01 -2.59 119.26 117.98 2qr1 h ALA 212 Ca 0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2qr1 h ALA 212 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2qr1 h ALA 212 CO -0.03 0.14 0.06 0.93 0.00 0.00 0.00 179.25 180.35 2qr1 h GLU 213 N 0.15 1.11 -0.18 0.00 5.08 -0.72 -0.10 114.58 119.92 2qr1 h GLU 213 Ca 0.05 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2qr1 h GLU 213 Cb 0.60 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2qr1 h GLU 213 CO 0.03 1.04 0.00 1.63 -1.00 0.00 0.00 179.01 180.71 2qr1 n LYS 214 N -4.20 2.05 -4.04 2.33 5.02 -0.69 -2.65 118.16 115.99 2qr1 n LYS 214 Ca 0.04 -1.57 -0.44 0.00 -2.02 0.00 0.00 58.31 54.32 2qr1 n LYS 214 Cb 0.32 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 2qr1 n LYS 214 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qr1 n ASN 215 N 0.82 -4.25 -4.40 4.39 5.15 -1.05 -4.98 115.26 110.94 2qr1 n ASN 215 Ca 0.17 -1.25 -0.27 0.00 -0.60 0.00 0.00 54.58 52.62 2qr1 n ASN 215 Cb 0.46 -1.64 -0.12 0.00 -0.53 0.00 0.00 39.78 37.95 2qr1 n ASN 215 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2qr1 s ILE 216 N -3.44 2.25 -1.27 -1.44 -4.36 -1.00 -4.88 121.20 107.07 2qr1 s ILE 216 Ca 0.41 -1.89 0.24 0.00 -0.26 0.00 0.00 60.65 59.16 2qr1 s ILE 216 Cb -0.23 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2qr1 s ILE 216 CO 0.96 -0.04 1.29 -1.54 0.24 0.00 0.00 174.94 175.85 2qr1 n SER 217 N 0.58 0.89 -3.43 4.36 3.41 -1.26 -4.72 113.62 113.46 2qr1 n SER 217 Ca -0.15 -0.70 -0.12 0.00 -0.26 0.00 0.00 58.87 57.64 2qr1 n SER 217 Cb 0.55 0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 2qr1 n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr1 s ALA 218 N -2.84 -1.58 -0.04 7.33 0.00 -1.26 -1.62 121.76 121.75 2qr1 s ALA 218 Ca 0.14 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 2qr1 s ALA 218 Cb 0.18 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.21 2qr1 s ALA 218 CO 0.69 -0.77 0.07 0.08 0.00 0.00 0.00 175.76 175.83 2qr1 s VAL 219 N -3.75 -0.11 0.31 0.00 1.01 -0.77 -4.97 120.40 112.13 2qr1 s VAL 219 Ca 0.01 0.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 2qr1 s VAL 219 Cb -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 36.38 36.12 2qr1 s VAL 219 CO -0.13 0.14 1.00 -2.16 0.00 0.00 0.00 175.10 173.95 2qr1 s PRO 220 N 1.76 4.57 -0.17 2.72 0.05 -1.26 -0.83 135.00 141.84 2qr1 s PRO 220 Ca -0.01 1.51 -0.04 0.00 0.05 0.00 0.00 61.00 62.51 2qr1 s PRO 220 Cb -0.12 -2.93 -0.02 0.00 0.05 0.00 0.00 34.50 31.47 2qr1 s PRO 220 CO -0.04 0.23 -0.03 0.42 0.05 0.00 0.00 177.00 177.63 2qr1 s ILE 221 N -1.43 3.85 0.28 0.56 1.01 -0.21 -0.30 121.20 124.96 2qr1 s ILE 221 Ca 0.49 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.85 2qr1 s ILE 221 Cb -0.24 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 2qr1 s ILE 221 CO 0.30 0.47 -0.09 0.68 0.00 0.00 0.00 174.94 176.30 2qr1 s VAL 222 N 0.62 1.83 0.72 2.92 -7.23 0.11 -1.30 120.40 118.07 2qr1 s VAL 222 Ca -0.02 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 57.98 2qr1 s VAL 222 Cb -0.14 -2.41 0.14 0.00 0.56 0.00 0.00 36.38 34.53 2qr1 s VAL 222 CO 0.02 -0.34 0.98 -0.46 -0.31 0.00 0.00 175.10 175.00 2qr1 n ASN 223 N -0.59 1.44 -0.34 4.85 6.94 -0.88 -4.33 115.26 122.35 2qr1 n ASN 223 Ca -0.06 -2.19 0.32 0.00 -0.02 0.00 0.00 54.58 52.63 2qr1 n ASN 223 Cb 0.63 -0.63 0.67 0.00 -2.36 0.00 0.00 39.78 38.10 2qr1 n ASN 223 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2qr1 h SER 224 N -0.52 0.15 0.52 0.53 0.02 -2.00 0.12 113.55 112.38 2qr1 h SER 224 Ca -0.33 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2qr1 h SER 224 Cb 1.23 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2qr1 h SER 224 CO 0.36 0.01 -0.72 -0.62 -1.14 0.00 0.00 176.83 174.73 2qr1 n GLU 225 N -4.34 0.15 -0.98 3.45 1.02 -1.26 -4.93 120.64 113.75 2qr1 n GLU 225 Ca 0.26 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 2qr1 n GLU 225 Cb 1.16 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 2qr1 n GLU 225 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qr1 n GLY 226 N 1.43 0.58 3.81 0.62 0.00 0.43 -4.99 105.19 107.06 2qr1 n GLY 226 Ca 0.04 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2qr1 n GLY 226 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qr1 s THR 227 N -2.00 4.07 -0.02 2.61 -1.32 -1.26 -2.55 115.64 115.17 2qr1 s THR 227 Ca 0.00 1.33 -0.30 0.00 -1.21 0.00 0.00 61.69 61.51 2qr1 s THR 227 Cb 0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 72.50 67.40 2qr1 s THR 227 CO 0.00 -0.24 1.01 -0.22 -2.21 0.00 0.00 174.62 172.96 2qr1 s LEU 228 N -3.22 4.34 -0.15 9.08 0.20 0.12 -2.08 118.68 126.98 2qr1 s LEU 228 Ca 0.63 1.67 -0.02 0.00 0.69 0.00 0.00 54.13 57.10 2qr1 s LEU 228 Cb -0.14 -3.57 -0.08 0.00 -0.43 0.00 0.00 46.19 41.97 2qr1 s LEU 228 CO 0.18 -0.32 -0.15 0.18 -0.29 0.00 0.00 176.35 175.94 2qr1 n LEU 229 N 4.15 2.26 0.00 -0.68 4.77 -0.42 -4.97 117.00 122.10 2qr1 n LEU 229 Ca 0.07 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2qr1 n LEU 229 Cb 0.50 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2qr1 n LEU 229 CO 0.52 0.58 0.00 -3.20 -1.33 0.00 0.00 177.39 173.96 2qr1 n ASN 230 N -3.21 0.00 -3.83 -1.43 2.85 -1.16 -5.03 115.26 103.45 2qr1 n ASN 230 Ca -0.27 -0.41 -0.10 0.00 -0.11 0.00 0.00 54.58 53.69 2qr1 n ASN 230 Cb 0.75 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.69 2qr1 n ASN 230 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2qr1 s VAL 231 N -2.32 0.11 -0.25 3.44 0.11 -1.26 -1.04 120.40 119.19 2qr1 s VAL 231 Ca 0.00 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 2qr1 s VAL 231 Cb 0.00 -0.95 0.07 0.00 -1.53 0.00 0.00 36.38 33.97 2qr1 s VAL 231 CO 0.00 -0.48 -0.02 -0.47 -3.33 0.00 0.00 175.10 170.79 2qr1 s TYR 232 N -2.67 2.30 0.17 1.54 6.14 -0.01 -4.90 117.35 119.91 2qr1 s TYR 232 Ca -0.04 -1.76 -0.05 0.00 0.64 0.00 0.00 57.07 55.86 2qr1 s TYR 232 Cb -0.01 -1.64 -0.05 0.00 0.42 0.00 0.00 41.96 40.68 2qr1 s TYR 232 CO -0.04 -0.78 0.40 -1.21 0.64 0.00 0.00 175.55 174.56 2qr1 s GLU 233 N 1.42 3.62 0.43 4.97 2.02 -1.26 -1.85 118.70 128.05 2qr1 s GLU 233 Ca -0.03 -0.09 0.17 0.00 0.02 0.00 0.00 54.97 55.04 2qr1 s GLU 233 Cb -0.19 -2.82 1.09 0.00 0.10 0.00 0.00 34.13 32.32 2qr1 s GLU 233 CO -0.08 0.43 1.91 0.66 0.02 0.00 0.00 175.26 178.20 2qr1 h SER 234 N 2.62 0.36 0.30 -0.19 4.64 -1.66 0.34 113.55 119.96 2qr1 h SER 234 Ca -0.46 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2qr1 h SER 234 Cb 1.17 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2qr1 h SER 234 CO 0.71 0.18 -0.08 -0.37 -0.87 0.00 0.00 176.83 176.40 2qr1 h VAL 235 N 0.38 0.49 0.00 0.95 -1.51 -1.94 -2.13 116.25 112.50 2qr1 h VAL 235 Ca 0.39 -0.39 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2qr1 h VAL 235 Cb 0.96 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2qr1 h VAL 235 CO -0.12 0.08 -0.14 0.44 -1.23 0.00 0.00 177.57 176.60 2qr1 h ASP 236 N 0.00 0.00 0.32 4.19 3.32 -0.69 -2.70 116.42 120.85 2qr1 h ASP 236 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2qr1 h ASP 236 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2qr1 h ASP 236 CO 0.01 0.14 -0.43 0.58 -1.72 0.00 0.00 179.24 177.82 2qr1 h VAL 237 N 0.00 1.31 -0.18 -1.35 2.07 -1.38 -2.60 116.25 114.14 2qr1 h VAL 237 Ca -0.00 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.04 2qr1 h VAL 237 Cb 0.43 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2qr1 h VAL 237 CO 0.02 0.45 0.13 -0.03 0.02 0.00 0.00 177.57 178.15 2qr1 h MET 238 N 0.12 0.03 0.00 1.57 -1.53 -1.59 -2.44 114.93 111.09 2qr1 h MET 238 Ca 0.01 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2qr1 h MET 238 Cb 0.80 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.85 2qr1 h MET 238 CO 0.06 0.02 -0.39 0.45 0.14 0.00 0.00 176.91 177.19 2qr1 h HIS 239 N 0.04 0.00 0.17 1.39 -0.00 -1.59 -2.82 115.15 112.33 2qr1 h HIS 239 Ca 0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 60.12 2qr1 h HIS 239 Cb 0.28 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.70 2qr1 h HIS 239 CO -0.00 0.00 -1.62 -0.07 -0.00 0.00 0.00 177.93 176.24 2qr1 h LEU 240 N 0.00 0.55 -1.42 2.43 4.07 -1.50 -3.35 115.31 116.10 2qr1 h LEU 240 Ca 0.00 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.20 2qr1 h LEU 240 Cb 0.84 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2qr1 h LEU 240 CO 0.00 1.63 0.00 2.30 -1.08 0.00 0.00 178.44 181.29 2qr1 n ILE 241 N -3.55 0.16 0.30 1.22 -5.35 -1.06 -4.47 119.36 106.61 2qr1 n ILE 241 Ca -0.20 -0.41 0.17 0.00 -0.27 0.00 0.00 62.75 62.03 2qr1 n ILE 241 Cb 1.07 0.72 0.91 0.00 -1.74 0.00 0.00 39.64 40.60 2qr1 n ILE 241 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 2qr1 h GLN 242 N 3.09 0.00 -0.45 6.28 3.07 -1.63 -2.06 115.11 123.41 2qr1 h GLN 242 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2qr1 h GLN 242 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.23 2qr1 h GLN 242 CO 0.00 0.04 0.00 -0.25 0.09 0.00 0.00 178.83 178.71 2qr1 n ASP 243 N -3.42 3.27 0.00 0.06 10.43 -1.26 -4.72 116.55 120.91 2qr1 n ASP 243 Ca -0.02 -1.95 0.00 0.00 2.57 0.00 0.00 54.79 55.39 2qr1 n ASP 243 Cb 0.17 -0.30 0.00 0.00 1.84 0.00 0.00 41.12 42.83 2qr1 n ASP 243 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qr1 n GLY 244 N 1.08 0.74 3.41 0.44 0.00 -0.77 -4.98 105.19 105.10 2qr1 n GLY 244 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2qr1 n GLY 244 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qr1 n ASP 245 N 0.00 5.17 0.00 1.61 2.03 -1.26 -4.77 116.55 119.32 2qr1 n ASP 245 Ca 0.00 -2.98 0.11 0.00 0.52 0.00 0.00 54.79 52.44 2qr1 n ASP 245 Cb 0.00 -1.58 0.60 0.00 -0.72 0.00 0.00 41.12 39.42 2qr1 n ASP 245 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2qr1 n TYR 246 N 5.72 0.00 0.59 -0.67 4.02 -1.26 -1.70 117.16 123.87 2qr1 n TYR 246 Ca 0.39 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.40 2qr1 n TYR 246 Cb 0.42 -0.19 0.30 0.00 -0.02 0.00 0.00 39.34 39.86 2qr1 n TYR 246 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2qr1 h SER 247 N 0.00 0.00 0.00 7.72 4.64 -1.94 -3.21 113.55 120.76 2qr1 h SER 247 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2qr1 h SER 247 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2qr1 h SER 247 CO 0.00 0.04 0.01 0.59 -0.87 0.00 0.00 176.83 176.60 2qr1 n ASN 248 N -2.23 0.00 0.20 4.97 3.02 -0.69 -1.41 115.26 119.12 2qr1 n ASN 248 Ca 0.05 0.44 0.08 0.00 -0.03 0.00 0.00 54.58 55.11 2qr1 n ASN 248 Cb 0.44 -0.44 0.35 0.00 -0.61 0.00 0.00 39.78 39.52 2qr1 n ASN 248 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qr1 h LEU 249 N 0.00 0.00 -0.13 3.41 3.38 -1.77 -3.07 115.31 117.13 2qr1 h LEU 249 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qr1 h LEU 249 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qr1 h LEU 249 CO 0.00 0.31 -0.00 0.47 0.09 0.00 0.00 178.44 179.31 2qr1 n ASP 250 N -3.41 0.20 -4.75 -0.43 10.43 -0.50 -2.84 116.55 115.24 2qr1 n ASP 250 Ca 0.00 -1.06 -0.35 0.00 2.57 0.00 0.00 54.79 55.96 2qr1 n ASP 250 Cb 0.50 -0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.51 2qr1 n ASP 250 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2qr1 s LEU 251 N -2.01 3.51 0.88 0.64 1.43 -1.16 -4.78 118.68 117.19 2qr1 s LEU 251 Ca 0.46 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 2qr1 s LEU 251 Cb 0.22 -4.58 0.12 0.00 0.03 0.00 0.00 46.19 41.98 2qr1 s LEU 251 CO 0.37 -1.75 1.09 -0.94 0.23 0.00 0.00 176.35 175.35 2qr1 s SER 252 N -1.97 3.62 0.33 2.29 1.04 -1.26 -1.73 113.70 116.01 2qr1 s SER 252 Ca 0.74 1.50 0.03 0.00 0.48 0.00 0.00 55.95 58.70 2qr1 s SER 252 Cb -0.27 -2.18 0.58 0.00 0.10 0.00 0.00 66.02 64.24 2qr1 s SER 252 CO 0.38 -2.55 1.88 0.58 0.98 0.00 0.00 173.24 174.51 2qr1 h VAL 253 N -1.49 1.20 0.21 5.02 2.07 0.62 -2.48 116.25 121.40 2qr1 h VAL 253 Ca -0.49 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2qr1 h VAL 253 Cb 1.28 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2qr1 h VAL 253 CO 0.55 0.26 -0.10 1.23 0.02 0.00 0.00 177.57 179.53 2qr1 h GLY 254 N 0.84 -0.29 0.18 2.17 0.00 -1.64 -0.07 103.07 104.26 2qr1 h GLY 254 Ca 0.13 0.11 0.19 0.00 0.00 0.00 0.00 47.33 47.75 2qr1 h GLY 254 CO 0.00 -0.10 0.61 0.83 0.00 0.00 0.00 176.54 177.88 2qr1 h GLU 255 N -0.56 0.73 0.00 4.80 5.08 -1.80 -1.92 114.58 120.91 2qr1 h GLU 255 Ca -0.03 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2qr1 h GLU 255 Cb 0.41 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2qr1 h GLU 255 CO 0.05 0.48 -0.45 0.00 -1.00 0.00 0.00 179.01 178.09 2qr1 h ALA 256 N 1.63 0.72 -0.00 3.43 0.00 -1.01 -3.00 119.26 121.03 2qr1 h ALA 256 Ca 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qr1 h ALA 256 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qr1 h ALA 256 CO -0.35 0.53 -0.01 -0.11 0.00 0.00 0.00 179.25 179.32 2qr1 n LEU 257 N -3.19 0.01 0.11 0.00 7.94 -0.08 -2.58 117.00 119.22 2qr1 n LEU 257 Ca 0.02 0.45 0.09 0.00 -1.11 0.00 0.00 56.01 55.46 2qr1 n LEU 257 Cb 0.70 -0.45 0.02 0.00 0.53 0.00 0.00 43.42 44.22 2qr1 n LEU 257 CO 0.40 0.00 0.12 -0.07 -1.11 0.00 0.00 177.39 176.72 2qr1 h LEU 258 N 0.00 0.00 -0.37 -1.96 3.38 -1.37 -3.26 115.31 111.73 2qr1 h LEU 258 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qr1 h LEU 258 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2qr1 h LEU 258 CO 0.00 0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.93 2qr1 n LYS 259 N -2.80 1.18 -3.21 1.13 5.02 -1.06 -4.87 118.16 113.54 2qr1 n LYS 259 Ca -0.01 -0.24 -0.39 0.00 -2.02 0.00 0.00 58.31 55.65 2qr1 n LYS 259 Cb 0.60 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 34.42 2qr1 n LYS 259 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2qr1 s ARG 260 N -1.81 4.24 0.34 1.97 3.52 -1.23 -5.00 118.95 120.98 2qr1 s ARG 260 Ca 0.04 0.50 -0.25 0.00 -0.13 0.00 0.00 55.73 55.89 2qr1 s ARG 260 Cb 0.02 -3.54 -0.10 0.00 -1.56 0.00 0.00 34.95 29.78 2qr1 s ARG 260 CO 0.03 -0.10 0.96 -2.14 -0.81 0.00 0.00 175.30 173.23 2qr1 s PRO 261 N 1.47 4.50 -0.15 5.12 0.02 -1.26 -5.03 135.00 139.67 2qr1 s PRO 261 Ca 0.26 1.33 -0.24 0.00 0.02 0.00 0.00 61.00 62.38 2qr1 s PRO 261 Cb -0.16 -2.70 -0.02 0.00 0.02 0.00 0.00 34.50 31.64 2qr1 s PRO 261 CO 0.10 0.19 0.74 0.00 -0.33 0.00 0.00 177.00 177.71 2qr1 s ALA 262 N -1.68 3.47 0.00 -1.55 0.00 -1.26 -3.99 121.76 116.75 2qr1 s ALA 262 Ca 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2qr1 s ALA 262 Cb -0.18 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2qr1 s ALA 262 CO 0.23 -0.47 0.00 -1.71 0.00 0.00 0.00 175.76 173.81 2qr1 n ASN 263 N 4.78 0.00 -4.44 0.00 5.15 -1.26 -5.15 115.26 114.34 2qr1 n ASN 263 Ca 0.01 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.57 2qr1 n ASN 263 Cb 0.50 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.65 2qr1 n ASN 263 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2qr1 s PHE 264 N 0.00 3.24 0.39 1.20 5.36 -1.26 -4.89 117.98 122.03 2qr1 s PHE 264 Ca 0.00 -0.70 0.03 0.00 -0.96 0.00 0.00 56.93 55.30 2qr1 s PHE 264 Cb 0.00 -2.64 0.09 0.00 -0.34 0.00 0.00 43.02 40.14 2qr1 s PHE 264 CO 0.00 -0.63 0.64 -0.25 -1.46 0.00 0.00 175.22 173.52 2qr1 n ASP 265 N 5.14 0.00 0.00 6.13 8.00 -1.26 -4.76 116.55 129.79 2qr1 n ASP 265 Ca -0.11 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2qr1 n ASP 265 Cb 0.46 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2qr1 n ASP 265 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qr1 n GLY 266 N -1.15 -3.46 3.26 0.44 0.00 -1.26 -4.89 105.19 98.13 2qr1 n GLY 266 Ca 0.02 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 2qr1 n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qr1 s VAL 267 N -0.99 2.60 -0.08 1.61 1.01 -1.26 -4.97 120.40 118.32 2qr1 s VAL 267 Ca 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2qr1 s VAL 267 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2qr1 s VAL 267 CO 0.00 0.52 0.02 -1.00 0.00 0.00 0.00 175.10 174.64 2qr1 s HIS 268 N 0.74 3.20 0.04 5.22 3.76 -1.26 -5.06 115.29 121.93 2qr1 s HIS 268 Ca -0.07 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 2qr1 s HIS 268 Cb -0.16 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 2qr1 s HIS 268 CO 0.01 0.50 -0.09 0.95 -0.85 0.00 0.00 174.74 175.25 2qr1 s THR 269 N -0.91 0.70 0.07 1.30 -4.23 -1.26 -1.06 115.64 110.25 2qr1 s THR 269 Ca 0.14 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 2qr1 s THR 269 Cb -0.11 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 2qr1 s THR 269 CO 0.03 -0.19 -0.06 0.00 -0.54 0.00 0.00 174.62 173.86 2qr1 s ARG 271 N -3.45 2.14 0.48 0.00 1.81 -1.26 -1.13 118.95 117.54 2qr1 s ARG 271 Ca 0.06 0.55 0.27 0.00 -1.72 0.00 0.00 55.73 54.88 2qr1 s ARG 271 Cb 0.03 -1.93 1.07 0.00 -0.45 0.00 0.00 34.95 33.67 2qr1 s ARG 271 CO -0.05 -1.56 1.88 0.00 -0.68 0.00 0.00 175.30 174.89 2qr1 h ALA 272 N -1.04 1.03 -0.00 2.13 0.00 -1.94 -2.77 119.26 116.67 2qr1 h ALA 272 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2qr1 h ALA 272 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qr1 h ALA 272 CO 0.61 0.20 -0.02 0.25 0.00 0.00 0.00 179.25 180.28 2qr1 n THR 273 N -3.33 0.00 -1.86 0.00 -2.24 -1.26 -2.43 114.28 103.16 2qr1 n THR 273 Ca 0.00 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2qr1 n THR 273 Cb 0.39 -0.46 0.05 0.00 -2.10 0.00 0.00 70.33 68.20 2qr1 n THR 273 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qr1 s ASP 274 N -2.94 4.91 0.40 3.42 -0.00 -1.05 -4.45 116.67 116.97 2qr1 s ASP 274 Ca 0.16 2.43 0.07 0.00 -0.00 0.00 0.00 52.55 55.21 2qr1 s ASP 274 Cb 0.19 -2.60 -0.06 0.00 -0.00 0.00 0.00 42.92 40.45 2qr1 s ASP 274 CO 0.53 -1.78 0.14 0.00 -0.00 0.00 0.00 175.17 174.05 2qr1 s ARG 275 N -3.44 2.18 0.52 8.23 3.03 -1.26 -0.38 118.95 127.83 2qr1 s ARG 275 Ca 0.78 -1.85 0.26 0.00 2.03 0.00 0.00 55.73 56.95 2qr1 s ARG 275 Cb -0.32 -1.94 1.42 0.00 -1.03 0.00 0.00 34.95 33.08 2qr1 s ARG 275 CO 0.36 -0.07 2.07 -0.07 -1.13 0.00 0.00 175.30 176.46 2qr1 h LEU 276 N 1.51 0.00 -0.58 -1.89 3.38 -1.73 -3.17 115.31 112.83 2qr1 h LEU 276 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2qr1 h LEU 276 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2qr1 h LEU 276 CO 0.71 0.12 0.34 -2.24 0.09 0.00 0.00 178.44 177.46 2qr1 h ASP 277 N 0.00 0.70 0.26 -0.43 -0.00 -1.35 -2.00 116.42 113.60 2qr1 h ASP 277 Ca -0.00 -0.07 -0.12 0.00 -0.00 0.00 0.00 57.03 56.84 2qr1 h ASP 277 Cb 0.33 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.47 2qr1 h ASP 277 CO 0.02 0.56 -0.46 1.23 -0.00 0.00 0.00 179.24 180.59 2qr1 h GLY 278 N 0.79 0.28 0.78 7.15 0.00 -1.84 -3.03 103.07 107.19 2qr1 h GLY 278 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2qr1 h GLY 278 CO -0.04 0.26 -0.13 -2.22 0.00 0.00 0.00 176.54 174.41 2qr1 h ILE 279 N 0.21 1.33 -0.08 2.60 2.04 -1.52 0.53 117.51 122.62 2qr1 h ILE 279 Ca 0.01 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.65 2qr1 h ILE 279 Cb 0.90 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2qr1 h ILE 279 CO 0.07 0.37 0.13 -0.26 0.00 0.00 0.00 178.15 178.47 2qr1 h PHE 280 N 0.05 0.00 0.24 1.37 -1.00 -1.41 0.17 116.94 116.36 2qr1 h PHE 280 Ca 0.03 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.48 2qr1 h PHE 280 Cb 0.64 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.24 2qr1 h PHE 280 CO 0.07 0.00 -1.45 0.22 -1.61 0.00 0.00 178.31 175.54 2qr1 h ASP 281 N 0.00 0.86 -0.93 2.17 3.58 -1.16 -0.47 116.42 120.48 2qr1 h ASP 281 Ca 0.04 -0.90 0.05 0.00 0.42 0.00 0.00 57.03 56.63 2qr1 h ASP 281 Cb 0.31 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 2qr1 h ASP 281 CO -0.00 1.70 0.59 0.00 -2.88 0.00 0.00 179.24 178.66 2qr1 h ALA 282 N 0.17 1.25 -0.45 -0.78 0.00 0.43 -2.43 119.26 117.45 2qr1 h ALA 282 Ca -0.25 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2qr1 h ALA 282 Cb 2.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2qr1 h ALA 282 CO 0.27 0.41 -0.02 0.82 0.00 0.00 0.00 179.25 180.74 2qr1 h ILE 283 N 1.12 1.26 -0.92 0.00 2.04 -0.69 -1.38 117.51 118.94 2qr1 h ILE 283 Ca 0.38 -1.08 0.17 0.00 1.00 0.00 0.00 64.86 65.34 2qr1 h ILE 283 Cb 0.08 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 2qr1 h ILE 283 CO -0.15 0.37 0.59 0.50 0.00 0.00 0.00 178.15 179.47 2qr1 h LYS 284 N 0.65 0.59 -0.01 2.37 3.64 -0.58 -3.01 116.57 120.23 2qr1 h LYS 284 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2qr1 h LYS 284 Cb 0.52 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2qr1 h LYS 284 CO 0.03 0.39 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 2qr1 n HIS 285 N -4.58 0.00 -3.60 1.91 8.25 -1.13 -5.02 115.22 111.05 2qr1 n HIS 285 Ca 0.19 -0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.54 2qr1 n HIS 285 Cb 0.57 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 2qr1 n HIS 285 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2qr1 s SER 286 N -0.42 -0.31 -0.94 0.41 0.01 -0.53 -5.10 113.70 106.81 2qr1 s SER 286 Ca 0.06 -0.18 -0.18 0.00 1.31 0.00 0.00 55.95 56.96 2qr1 s SER 286 Cb 0.04 0.49 0.14 0.00 0.21 0.00 0.00 66.02 66.90 2qr1 s SER 286 CO 0.06 -0.83 1.12 -0.13 0.41 0.00 0.00 173.24 173.87 2qr1 s ARG 287 N -3.49 3.64 -0.04 12.44 0.52 -1.26 -4.33 118.95 126.43 2qr1 s ARG 287 Ca 0.01 -1.89 -0.15 0.00 -0.52 0.00 0.00 55.73 53.17 2qr1 s ARG 287 Cb 0.01 -4.89 -0.05 0.00 0.52 0.00 0.00 34.95 30.54 2qr1 s ARG 287 CO -0.10 -1.73 0.40 0.08 0.02 0.00 0.00 175.30 173.98 2qr1 s VAL 288 N 2.36 5.10 -0.74 3.52 1.01 -1.26 -4.86 120.40 125.53 2qr1 s VAL 288 Ca 0.32 0.81 0.09 0.00 0.00 0.00 0.00 61.98 63.21 2qr1 s VAL 288 Cb -0.05 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2qr1 s VAL 288 CO -0.09 0.51 0.54 1.41 0.00 0.00 0.00 175.10 177.48 2qr1 n HIS 289 N 2.38 0.00 0.00 5.22 8.25 -1.26 -4.94 115.22 124.87 2qr1 n HIS 289 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2qr1 n HIS 289 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2qr1 n HIS 289 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2qr1 n ARG 290 N -0.57 0.00 -4.63 -0.41 1.85 -1.26 -3.93 116.66 107.71 2qr1 n ARG 290 Ca 0.03 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.56 2qr1 n ARG 290 Cb 0.18 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.43 2qr1 n ARG 290 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qr1 s LEU 291 N 0.00 2.15 -0.12 2.89 1.43 0.13 -4.28 118.68 120.88 2qr1 s LEU 291 Ca 0.00 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 2qr1 s LEU 291 Cb 0.00 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2qr1 s LEU 291 CO 0.00 0.08 0.55 -0.36 0.23 0.00 0.00 176.35 176.85 2qr1 s PHE 292 N 0.84 3.51 -0.20 0.29 0.40 -0.22 0.03 117.98 122.63 2qr1 s PHE 292 Ca -0.06 0.98 -0.18 0.00 -0.60 0.00 0.00 56.93 57.06 2qr1 s PHE 292 Cb -0.15 -2.65 -0.03 0.00 0.51 0.00 0.00 43.02 40.69 2qr1 s PHE 292 CO -0.02 0.10 0.51 0.08 0.70 0.00 0.00 175.22 176.58 2qr1 s VAL 293 N 0.86 5.11 0.21 -0.44 1.01 -0.13 -1.34 120.40 125.68 2qr1 s VAL 293 Ca 0.29 0.94 0.02 0.00 0.00 0.00 0.00 61.98 63.23 2qr1 s VAL 293 Cb -0.16 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2qr1 s VAL 293 CO 0.12 0.18 0.02 0.68 0.00 0.00 0.00 175.10 176.11 2qr1 s VAL 294 N 1.60 0.75 0.00 2.92 -7.23 -0.28 -0.07 120.40 118.08 2qr1 s VAL 294 Ca 0.24 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2qr1 s VAL 294 Cb -0.15 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2qr1 s VAL 294 CO 0.10 -0.33 0.00 -0.90 -0.31 0.00 0.00 175.10 173.66 2qr1 n ASP 295 N -0.34 0.00 -0.18 4.85 5.68 -0.59 -4.18 116.55 121.78 2qr1 n ASP 295 Ca -0.05 -0.65 -0.02 0.00 -0.50 0.00 0.00 54.79 53.57 2qr1 n ASP 295 Cb 0.64 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.68 2qr1 n ASP 295 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2qr1 h GLU 296 N 0.00 0.04 -0.90 0.11 3.07 -2.01 -2.39 114.58 112.51 2qr1 h GLU 296 Ca 0.00 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 2qr1 h GLU 296 Cb 0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 27.80 2qr1 h GLU 296 CO 0.00 0.03 0.22 0.09 -1.40 0.00 0.00 179.01 177.95 2qr1 n ASN 297 N -5.33 3.56 -2.02 1.42 3.02 -1.26 -4.88 115.26 109.77 2qr1 n ASN 297 Ca 0.06 -2.77 -0.17 0.00 -0.03 0.00 0.00 54.58 51.68 2qr1 n ASN 297 Cb 0.30 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 2qr1 n ASN 297 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qr1 n LEU 298 N -0.11 -1.92 -4.78 3.41 4.77 -0.90 -4.84 117.00 112.63 2qr1 n LEU 298 Ca 0.27 -0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 2qr1 n LEU 298 Cb 1.02 -2.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.60 2qr1 n LEU 298 CO 0.28 -0.09 0.20 -0.75 -1.33 0.00 0.00 177.39 175.70 2qr1 s LYS 299 N -4.97 4.19 0.07 3.23 2.20 -1.26 -0.71 119.74 122.49 2qr1 s LYS 299 Ca 0.06 0.55 -0.31 0.00 -0.36 0.00 0.00 55.97 55.91 2qr1 s LYS 299 Cb -0.02 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.91 2qr1 s LYS 299 CO 0.07 0.44 1.31 -1.17 -0.36 0.00 0.00 175.35 175.65 2qr1 s LEU 300 N -0.35 4.36 -0.03 5.43 2.96 -1.06 -1.55 118.68 128.44 2qr1 s LEU 300 Ca 0.27 2.16 0.06 0.00 -0.22 0.00 0.00 54.13 56.39 2qr1 s LEU 300 Cb -0.17 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 2qr1 s LEU 300 CO 0.14 -0.59 0.08 -0.62 -1.32 0.00 0.00 176.35 174.04 2qr1 n GLU 301 N 4.21 1.62 -3.68 1.98 1.02 0.89 -4.96 120.64 121.73 2qr1 n GLU 301 Ca 0.11 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2qr1 n GLU 301 Cb 0.44 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2qr1 n GLU 301 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qr1 n GLY 302 N 2.40 -2.16 2.92 0.62 0.00 -1.11 -4.64 105.19 103.21 2qr1 n GLY 302 Ca -0.05 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 2qr1 n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qr1 s ILE 303 N -2.19 0.69 -0.29 -0.61 1.01 -0.33 -0.95 121.20 118.53 2qr1 s ILE 303 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 2qr1 s ILE 303 Cb 0.00 -0.70 0.03 0.00 0.01 0.00 0.00 42.46 41.80 2qr1 s ILE 303 CO 0.00 0.26 0.03 -0.22 0.00 0.00 0.00 174.94 175.02 2qr1 s LEU 304 N 0.97 3.80 0.32 2.97 2.96 0.10 -1.99 118.68 127.81 2qr1 s LEU 304 Ca -0.10 -0.96 0.07 0.00 -0.22 0.00 0.00 54.13 52.92 2qr1 s LEU 304 Cb -0.14 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 2qr1 s LEU 304 CO 0.00 -0.22 0.29 -0.55 -1.32 0.00 0.00 176.35 174.55 2qr1 s SER 305 N 1.39 5.41 0.16 3.68 0.15 -1.26 0.22 113.70 123.44 2qr1 s SER 305 Ca -0.01 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.11 2qr1 s SER 305 Cb -0.18 -1.09 0.04 0.00 -1.71 0.00 0.00 66.02 63.09 2qr1 s SER 305 CO 0.00 -0.30 1.65 -0.07 1.20 0.00 0.00 173.24 175.72 2qr1 h LEU 306 N 1.26 0.87 0.08 3.45 3.38 -1.97 -2.03 115.31 120.35 2qr1 h LEU 306 Ca -0.46 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.28 2qr1 h LEU 306 Cb 1.25 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2qr1 h LEU 306 CO 0.58 0.91 -0.33 0.00 0.09 0.00 0.00 178.44 179.69 2qr1 h ALA 307 N 0.99 -0.55 -0.88 1.53 0.00 -1.96 -0.94 119.26 117.46 2qr1 h ALA 307 Ca 0.17 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.19 2qr1 h ALA 307 Cb 0.41 0.56 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 2qr1 h ALA 307 CO 0.01 -0.87 -0.28 -0.25 0.00 0.00 0.00 179.25 177.86 2qr1 n ASP 308 N -5.42 -0.45 -0.07 0.00 8.00 -0.95 0.74 116.55 118.39 2qr1 n ASP 308 Ca -0.06 1.53 -0.13 0.00 0.71 0.00 0.00 54.79 56.83 2qr1 n ASP 308 Cb 0.33 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 2qr1 n ASP 308 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2qr1 h ILE 309 N 0.00 1.33 -0.16 0.53 2.04 -0.98 -1.11 117.51 119.16 2qr1 h ILE 309 Ca 0.36 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 2qr1 h ILE 309 Cb 0.58 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2qr1 h ILE 309 CO -0.89 0.44 0.07 0.25 0.00 0.00 0.00 178.15 178.02 2qr1 h LEU 310 N 0.21 0.22 -1.07 1.44 7.12 0.34 -2.43 115.31 121.13 2qr1 h LEU 310 Ca 0.03 -0.16 0.01 0.00 0.13 0.00 0.00 57.88 57.89 2qr1 h LEU 310 Cb 0.81 -0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 40.83 2qr1 h LEU 310 CO 0.06 0.32 0.63 0.78 -0.13 0.00 0.00 178.44 180.10 2qr1 h ASN 311 N 0.12 1.08 0.25 1.25 2.35 0.32 0.24 115.58 121.19 2qr1 h ASN 311 Ca 0.06 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2qr1 h ASN 311 Cb 0.16 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2qr1 h ASN 311 CO -0.00 0.78 -0.19 0.22 -1.65 0.00 0.00 177.43 176.58 2qr1 h TYR 312 N 1.28 0.00 0.00 1.19 5.03 -0.92 -2.79 116.97 120.75 2qr1 h TYR 312 Ca 0.35 0.00 -0.35 0.00 2.58 0.00 0.00 58.73 61.30 2qr1 h TYR 312 Cb -0.14 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.08 2qr1 h TYR 312 CO -0.00 0.19 -2.24 0.44 -1.32 0.00 0.00 178.16 175.23 2qr1 n ILE 313 N -4.13 1.45 0.10 1.81 -5.35 -0.57 -4.39 119.36 108.28 2qr1 n ILE 313 Ca -0.02 -0.83 -0.04 0.00 -0.27 0.00 0.00 62.75 61.59 2qr1 n ILE 313 Cb 0.26 -0.64 0.03 0.00 -1.74 0.00 0.00 39.64 37.55 2qr1 n ILE 313 CO 0.00 0.00 0.00 0.16 -1.76 0.00 0.00 176.55 174.95 2qr1 h ILE 314 N 0.00 1.53 -3.37 7.28 3.07 -0.55 -3.42 117.51 122.06 2qr1 h ILE 314 Ca -0.49 -2.75 -0.55 0.00 1.55 0.00 0.00 64.86 62.61 2qr1 h ILE 314 Cb 2.18 2.50 -0.04 0.00 -0.27 0.00 0.00 36.82 41.20 2qr1 h ILE 314 CO 0.04 0.78 -0.05 -0.31 -1.05 0.00 0.00 178.15 177.55 2qr1 s TYR 315 N -3.13 3.60 0.41 0.16 1.51 -1.06 -5.03 117.35 113.82 2qr1 s TYR 315 Ca 0.00 1.10 -0.25 0.00 -1.01 0.00 0.00 57.07 56.92 2qr1 s TYR 315 Cb 0.11 -2.40 -0.08 0.00 -0.11 0.00 0.00 41.96 39.47 2qr1 s TYR 315 CO 0.79 0.40 1.17 0.16 -1.11 0.00 0.00 175.55 176.96 2qr1 s ASP 316 N -1.74 6.46 -0.37 2.29 3.84 -1.26 -4.92 116.67 120.97 2qr1 s ASP 316 Ca 0.39 2.34 -0.18 0.00 -0.00 0.00 0.00 52.55 55.10 2qr1 s ASP 316 Cb -0.15 -2.61 0.00 0.00 -1.38 0.00 0.00 42.92 38.78 2qr1 s ASP 316 CO 0.19 -0.72 0.51 -0.54 -0.00 0.00 0.00 175.17 174.62 2qr1 s LYS 317 N -2.37 3.51 -0.92 2.11 3.01 -1.26 -5.16 119.74 118.67 2qr1 s LYS 317 Ca 0.58 -0.27 -0.09 0.00 -1.01 0.00 0.00 55.97 55.18 2qr1 s LYS 317 Cb -0.30 -3.84 -0.31 0.00 -1.01 0.00 0.00 37.83 32.36 2qr1 s LYS 317 CO 0.38 -0.71 2.00 -3.47 0.51 0.00 0.00 175.35 174.06 2qr1 n ASP 328 N 5.77 -1.30 0.00 2.83 2.03 -1.08 -5.31 116.55 119.50 2qr1 n ASP 328 Ca -0.05 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.78 2qr1 n ASP 328 Cb 0.49 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2qr1 n ASP 328 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2qr1 n ASN 329 N 5.24 0.00 -3.83 1.67 4.05 -1.24 -5.01 115.26 116.14 2qr1 n ASN 329 Ca 0.62 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 55.53 2qr1 n ASN 329 Cb 0.12 0.09 -0.12 0.00 1.23 0.00 0.00 39.78 41.11 2qr1 n ASN 329 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2qr1 s PHE 330 N -0.22 -0.13 -0.15 1.20 2.99 -0.07 -3.98 117.98 117.64 2qr1 s PHE 330 Ca 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 56.93 57.17 2qr1 s PHE 330 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 43.02 43.01 2qr1 s PHE 330 CO 0.00 -0.15 0.07 -2.00 -0.00 0.00 0.00 175.22 173.13 2qr1 s GLU 331 N -0.35 3.63 0.66 0.44 2.12 -1.22 -4.14 118.70 119.85 2qr1 s GLU 331 Ca -0.04 -0.31 -0.12 0.00 0.36 0.00 0.00 54.97 54.86 2qr1 s GLU 331 Cb -0.03 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.24 2qr1 s GLU 331 CO 0.01 0.49 1.05 -1.12 -0.54 0.00 0.00 175.26 175.15 2qr1 s SER 332 N -0.24 5.60 0.01 -1.70 0.01 -1.26 -4.85 113.70 111.27 2qr1 s SER 332 Ca 0.08 1.61 -0.28 0.00 1.31 0.00 0.00 55.95 58.68 2qr1 s SER 332 Cb -0.12 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.47 2qr1 s SER 332 CO 0.01 -1.29 0.72 0.00 0.41 0.00 0.00 173.24 173.09 2qr1 n ALA 333 N -2.87 -2.70 0.35 1.44 0.00 -1.26 -4.71 120.51 110.75 2qr1 n ALA 333 Ca 0.07 0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.97 2qr1 n ALA 333 Cb 0.54 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.78 2qr1 n ALA 333 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78