#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm1 n ASP 1 N 0.00 3.64 -4.78 0.00 2.03 -1.26 -5.04 116.55 111.15 1xm1 n ASP 1 Ca 0.00 -3.12 -0.33 0.00 0.52 0.00 0.00 54.79 51.86 1xm1 n ASP 1 Cb 0.00 -0.55 0.03 0.00 -0.72 0.00 0.00 41.12 39.88 1xm1 n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xm1 n GLY 2 N -0.41 0.49 3.14 0.00 0.00 -0.43 -4.64 105.19 103.34 1xm1 n GLY 2 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1xm1 n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xm1 s LEU 3 N 0.00 4.76 0.17 0.99 1.43 -1.24 -1.56 118.68 123.23 1xm1 s LEU 3 Ca 0.00 -1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 51.04 1xm1 s LEU 3 Cb 0.00 -1.78 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 1xm1 s LEU 3 CO 0.00 -0.44 1.15 -0.13 0.23 0.00 0.00 176.35 177.16 1xm1 s ARG 4 N 1.18 4.54 0.22 1.70 0.52 -1.26 -4.74 118.95 121.10 1xm1 s ARG 4 Ca 0.04 1.79 -0.08 0.00 -0.52 0.00 0.00 55.73 56.96 1xm1 s ARG 4 Cb -0.21 -3.27 0.33 0.00 0.52 0.00 0.00 34.95 32.31 1xm1 s ARG 4 CO -0.03 -0.02 1.75 -1.35 0.02 0.00 0.00 175.30 175.67 1xm1 h PRO 5 N 5.33 0.46 -0.01 3.54 0.11 -1.86 -0.43 132.00 139.13 1xm1 h PRO 5 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xm1 h PRO 5 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xm1 h PRO 5 CO 0.74 0.30 -0.01 1.28 -0.21 0.00 0.00 178.00 180.11 1xm1 n LEU 6 N -4.96 1.02 0.00 2.35 4.77 -1.26 -3.87 117.00 115.05 1xm1 n LEU 6 Ca 0.10 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1xm1 n LEU 6 Cb 0.30 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1xm1 n LEU 6 CO 0.22 0.17 0.00 0.49 -1.33 0.00 0.00 177.39 176.94 1xm1 n PHE 7 N -0.21 0.00 -0.24 -1.77 3.01 -0.91 -4.68 117.46 112.65 1xm1 n PHE 7 Ca 0.20 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.71 1xm1 n PHE 7 Cb 0.28 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.91 1xm1 n PHE 7 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1xm1 h GLU 8 N 0.00 0.16 -0.89 -1.08 3.07 -1.58 0.12 114.58 114.38 1xm1 h GLU 8 Ca 0.00 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.02 1xm1 h GLU 8 Cb 0.00 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 27.80 1xm1 h GLU 8 CO 0.00 0.11 0.58 0.87 -1.40 0.00 0.00 179.01 179.17 1xm1 h LYS 9 N 0.17 0.53 -0.24 2.33 6.56 -1.27 -1.83 116.57 122.82 1xm1 h LYS 9 Ca 0.40 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 1xm1 h LYS 9 Cb 0.69 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1xm1 h LYS 9 CO -0.58 0.35 0.00 0.36 -2.06 0.00 0.00 179.45 177.53 1xm1 n LYS 10 N -4.55 2.76 -3.67 3.15 2.85 -0.49 -4.98 118.16 113.22 1xm1 n LYS 10 Ca 0.18 -2.61 -0.27 0.00 -1.05 0.00 0.00 58.31 54.57 1xm1 n LYS 10 Cb 0.58 -1.66 0.04 0.00 -0.65 0.00 0.00 35.03 33.34 1xm1 n LYS 10 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1xm1 n SER 11 N -0.39 -5.30 -4.72 -5.58 2.88 0.21 -5.00 113.62 95.72 1xm1 n SER 11 Ca 0.18 -0.62 -0.32 0.00 -1.33 0.00 0.00 58.87 56.78 1xm1 n SER 11 Cb 0.75 -4.23 -0.08 0.00 -0.75 0.00 0.00 64.21 59.90 1xm1 n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xm1 s LEU 12 N -7.15 3.63 0.04 2.46 1.43 -0.04 -4.97 118.68 114.09 1xm1 s LEU 12 Ca 0.58 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1xm1 s LEU 12 Cb -0.28 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1xm1 s LEU 12 CO 0.72 0.26 0.15 -1.61 0.23 0.00 0.00 176.35 176.10 1xm1 s GLU 13 N -1.74 3.24 0.78 1.70 2.02 -1.26 -3.72 118.70 119.72 1xm1 s GLU 13 Ca 0.22 -0.49 -0.10 0.00 0.02 0.00 0.00 54.97 54.61 1xm1 s GLU 13 Cb -0.12 -2.94 0.08 0.00 0.10 0.00 0.00 34.13 31.25 1xm1 s GLU 13 CO 0.13 0.62 1.13 0.16 0.02 0.00 0.00 175.26 177.32 1xm1 s ASP 14 N -2.27 4.54 0.64 -0.19 3.84 -1.26 -4.99 116.67 116.99 1xm1 s ASP 14 Ca 0.30 0.64 0.42 0.00 -0.00 0.00 0.00 52.55 53.92 1xm1 s ASP 14 Cb -0.13 -1.16 2.20 0.00 -1.38 0.00 0.00 42.92 42.45 1xm1 s ASP 14 CO 0.23 -1.84 2.29 0.11 -0.00 0.00 0.00 175.17 175.95 1xm1 h LYS 14 N -0.93 0.00 0.00 2.11 1.57 -2.01 -3.30 116.57 114.01 1xm1 h LYS 14 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1xm1 h LYS 14 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1xm1 h LYS 14 CO 0.63 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.76 1xm1 n THR 14 N -3.11 0.24 0.28 -0.16 -2.24 -1.26 -4.79 114.28 103.24 1xm1 n THR 14 Ca -0.02 -0.35 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1xm1 n THR 14 Cb 0.12 1.13 0.82 0.00 -2.10 0.00 0.00 70.33 70.30 1xm1 n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1xm1 h GLU 14 N 0.00 0.00 0.00 -0.78 4.11 -1.97 0.09 114.58 116.03 1xm1 h GLU 14 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1xm1 h GLU 14 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1xm1 h GLU 14 CO 0.00 0.03 -0.13 -0.09 0.07 0.00 0.00 179.01 178.90 1xm1 h ARG 14 N 0.00 0.00 -0.84 1.06 2.43 -1.87 -2.97 114.38 112.19 1xm1 h ARG 14 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xm1 h ARG 14 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1xm1 h ARG 14 CO 0.00 0.13 0.00 -1.91 -1.51 0.00 0.00 179.97 176.68 1xm1 n GLU 14 N -4.15 0.08 0.00 0.20 2.13 0.02 -1.22 120.64 117.70 1xm1 n GLU 14 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1xm1 n GLU 14 Cb 0.21 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.70 1xm1 n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1xm1 n LEU 14 N 0.67 0.00 0.29 4.31 7.94 -1.12 -2.88 117.00 126.20 1xm1 n LEU 14 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 1xm1 n LEU 14 Cb 0.03 0.00 0.88 0.00 0.53 0.00 0.00 43.42 44.86 1xm1 n LEU 14 CO 0.00 0.00 1.08 -0.33 -1.11 0.00 0.00 177.39 177.03 1xm1 h GLU 14 N 0.00 0.00 0.00 1.96 5.08 -1.46 -1.35 114.58 118.82 1xm1 h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xm1 h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xm1 h GLU 14 CO 0.00 0.04 -0.36 -1.13 -1.00 0.00 0.00 179.01 176.56 1xm1 n SER 14 N -3.65 0.61 -4.57 1.42 3.41 -1.14 -4.62 113.62 105.08 1xm1 n SER 14 Ca -0.02 0.23 -0.41 0.00 -0.26 0.00 0.00 58.87 58.41 1xm1 n SER 14 Cb 0.14 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1xm1 n SER 14 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xm1 s TYR 14 N -3.10 2.63 0.00 7.33 2.02 -0.51 -4.18 117.35 121.54 1xm1 s TYR 14 Ca 0.09 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1xm1 s TYR 14 Cb 0.14 -4.69 0.00 0.00 -0.40 0.00 0.00 41.96 37.02 1xm1 s TYR 14 CO 0.66 -1.83 0.00 -0.89 -1.57 0.00 0.00 175.55 171.92 1xm1 n ILE 14 N 6.68 0.00 -3.59 2.71 5.41 -1.26 -5.04 119.36 124.27 1xm1 n ILE 14 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.18 1xm1 n ILE 14 Cb 0.48 -0.49 -0.06 0.00 -0.71 0.00 0.00 39.64 38.86 1xm1 n ILE 14 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1xm1 s ILE 16 N -2.00 -0.06 -0.15 1.39 -1.09 -0.29 -5.06 121.20 113.94 1xm1 s ILE 16 Ca 0.00 0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1xm1 s ILE 16 Cb 0.00 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.84 1xm1 s ILE 16 CO 0.00 0.00 0.06 -0.69 -1.23 0.00 0.00 174.94 173.08 1xm1 s VAL 17 N 1.41 4.78 -1.50 2.92 1.01 0.16 -4.03 120.40 125.15 1xm1 s VAL 17 Ca -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1xm1 s VAL 17 Cb -0.03 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1xm1 s VAL 17 CO -0.13 0.51 0.08 -0.62 0.00 0.00 0.00 175.10 174.94 1xm1 n GLU 18 N 3.05 -1.87 0.00 2.72 -0.58 -1.26 -2.14 120.64 120.55 1xm1 n GLU 18 Ca -0.17 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1xm1 n GLU 18 Cb 0.53 -5.37 0.00 0.00 -0.57 0.00 0.00 31.44 26.03 1xm1 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xm1 n GLY 19 N -1.08 2.34 3.73 0.62 0.00 -1.26 -4.58 105.19 104.95 1xm1 n GLY 19 Ca -0.19 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 1xm1 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xm1 s SER 20 N -0.73 -0.17 0.10 1.61 1.04 -0.52 -4.94 113.70 110.09 1xm1 s SER 20 Ca 0.00 -0.78 -0.31 0.00 0.48 0.00 0.00 55.95 55.34 1xm1 s SER 20 Cb 0.00 0.66 -0.09 0.00 0.10 0.00 0.00 66.02 66.69 1xm1 s SER 20 CO 0.00 -1.25 1.74 -1.81 0.98 0.00 0.00 173.24 172.89 1xm1 s ASP 21 N -2.97 6.51 0.47 7.02 1.11 -1.26 -0.40 116.67 127.15 1xm1 s ASP 21 Ca 0.17 2.64 -0.22 0.00 0.18 0.00 0.00 52.55 55.31 1xm1 s ASP 21 Cb -0.03 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.32 1xm1 s ASP 21 CO 0.08 -0.94 1.17 0.00 1.18 0.00 0.00 175.17 176.65 1xm1 s ALA 22 N 2.56 2.93 0.71 5.23 0.00 -0.47 -4.80 121.76 127.93 1xm1 s ALA 22 Ca 0.77 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 1xm1 s ALA 22 Cb -0.43 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.32 1xm1 s ALA 22 CO 0.34 -0.69 1.07 -1.21 0.00 0.00 0.00 175.76 175.27 1xm1 s GLU 23 N -2.78 2.86 0.14 0.00 2.02 -1.26 -4.92 118.70 114.75 1xm1 s GLU 23 Ca 0.65 0.71 -0.31 0.00 0.02 0.00 0.00 54.97 56.04 1xm1 s GLU 23 Cb -0.28 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1xm1 s GLU 23 CO 0.34 -1.09 1.53 0.42 0.02 0.00 0.00 175.26 176.47 1xm1 s ILE 24 N -3.18 2.86 0.00 -1.63 1.01 -1.26 -2.21 121.20 116.80 1xm1 s ILE 24 Ca 0.58 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1xm1 s ILE 24 Cb -0.13 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1xm1 s ILE 24 CO 0.54 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1xm1 n GLY 25 N 3.71 0.64 0.25 6.18 0.00 -1.26 -4.88 105.19 109.83 1xm1 n GLY 25 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1xm1 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xm1 h MET 26 N 1.80 0.00 -2.03 1.61 -1.53 -1.82 -3.31 114.93 109.65 1xm1 h MET 26 Ca 0.00 0.00 -0.51 0.00 -3.44 0.00 0.00 59.70 55.75 1xm1 h MET 26 Cb 0.08 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 30.73 1xm1 h MET 26 CO 0.00 0.11 -1.11 0.45 0.14 0.00 0.00 176.91 176.50 1xm1 n SER 27 N -3.98 1.12 0.26 1.39 2.88 -1.26 -4.97 113.62 109.07 1xm1 n SER 27 Ca -0.02 -3.02 0.09 0.00 -1.33 0.00 0.00 58.87 54.59 1xm1 n SER 27 Cb 0.20 -0.62 0.51 0.00 -0.75 0.00 0.00 64.21 63.55 1xm1 n SER 27 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1xm1 h PRO 28 N 3.22 0.00 -0.02 -1.46 0.13 -1.75 0.12 132.00 132.24 1xm1 h PRO 28 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1xm1 h PRO 28 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1xm1 h PRO 28 CO 0.53 0.00 -0.03 -2.67 -0.23 0.00 0.00 178.00 175.60 1xm1 n TRP 29 N -2.47 0.00 -2.16 1.56 2.14 -0.86 -1.43 117.44 114.22 1xm1 n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1xm1 n TRP 29 Cb 0.45 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.91 1xm1 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1xm1 s GLN 30 N -2.04 4.29 0.02 -2.67 2.00 0.42 -0.62 119.66 121.06 1xm1 s GLN 30 Ca 0.34 2.07 0.08 0.00 -2.00 0.00 0.00 55.36 55.84 1xm1 s GLN 30 Cb 0.21 -3.40 -0.02 0.00 0.80 0.00 0.00 33.01 30.59 1xm1 s GLN 30 CO 0.34 -0.52 -0.23 0.08 -0.50 0.00 0.00 175.29 174.46 1xm1 s VAL 31 N 1.73 1.87 -0.27 1.34 1.01 -0.35 -4.05 120.40 121.68 1xm1 s VAL 31 Ca 0.65 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1xm1 s VAL 31 Cb -0.35 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1xm1 s VAL 31 CO 0.29 0.36 0.06 -0.32 0.00 0.00 0.00 175.10 175.49 1xm1 s MET 32 N -0.98 3.29 -0.14 2.72 1.75 -0.15 -0.67 119.30 125.12 1xm1 s MET 32 Ca 0.09 -0.72 -0.29 0.00 -1.25 0.00 0.00 55.69 53.52 1xm1 s MET 32 Cb -0.09 -3.30 -0.01 0.00 2.84 0.00 0.00 34.83 34.27 1xm1 s MET 32 CO 0.01 -0.33 1.12 -1.17 -0.65 0.00 0.00 175.02 173.99 1xm1 s LEU 33 N 1.53 4.20 -0.09 4.11 2.96 -0.18 -0.46 118.68 130.74 1xm1 s LEU 33 Ca 0.04 1.59 0.04 0.00 -0.22 0.00 0.00 54.13 55.59 1xm1 s LEU 33 Cb -0.16 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 1xm1 s LEU 33 CO 0.02 -0.61 -0.23 0.12 -1.32 0.00 0.00 176.35 174.33 1xm1 s PHE 34 N 2.70 2.55 -0.09 5.38 5.36 0.17 -1.14 117.98 132.91 1xm1 s PHE 34 Ca 0.50 -0.91 -0.26 0.00 -0.96 0.00 0.00 56.93 55.31 1xm1 s PHE 34 Cb -0.20 -1.69 -0.03 0.00 -0.34 0.00 0.00 43.02 40.77 1xm1 s PHE 34 CO 0.15 -0.33 0.83 0.50 -1.46 0.00 0.00 175.22 174.91 1xm1 s ARG 35 N 0.18 4.41 0.14 10.12 3.52 -0.28 -0.70 118.95 136.34 1xm1 s ARG 35 Ca -0.13 1.09 -0.18 0.00 -0.13 0.00 0.00 55.73 56.38 1xm1 s ARG 35 Cb -0.16 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.75 1xm1 s ARG 35 CO 0.07 -0.14 1.72 0.87 -0.81 0.00 0.00 175.30 177.02 1xm1 h LYS 36 N 7.01 0.13 -2.28 5.12 1.57 -1.72 -3.00 116.57 123.40 1xm1 h LYS 36 Ca -0.36 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1xm1 h LYS 36 Cb 1.17 -0.03 -0.23 0.00 0.08 0.00 0.00 32.23 33.22 1xm1 h LYS 36 CO 0.79 0.09 -0.15 0.45 -0.57 0.00 0.00 179.45 180.05 1xm1 s SER 36 N -5.28 -0.75 0.16 0.86 0.15 -1.26 -2.89 113.70 104.69 1xm1 s SER 36 Ca -0.13 1.26 -0.30 0.00 0.70 0.00 0.00 55.95 57.47 1xm1 s SER 36 Cb 0.11 1.30 -0.08 0.00 -1.71 0.00 0.00 66.02 65.65 1xm1 s SER 36 CO 0.70 -0.22 1.28 -2.16 1.20 0.00 0.00 173.24 174.03 1xm1 s PRO 37 N 1.85 4.41 -0.34 5.44 0.04 -1.26 -5.03 135.00 140.11 1xm1 s PRO 37 Ca -0.08 1.96 -0.38 0.00 0.04 0.00 0.00 61.00 62.54 1xm1 s PRO 37 Cb -0.08 -3.24 -0.14 0.00 0.04 0.00 0.00 34.50 31.08 1xm1 s PRO 37 CO -0.17 -0.24 2.05 1.04 0.04 0.00 0.00 177.00 179.72 1xm1 n GLN 38 N 3.06 0.98 -3.71 4.56 6.02 -1.14 -4.80 117.38 122.35 1xm1 n GLN 38 Ca 0.07 0.31 -0.09 0.00 -0.01 0.00 0.00 57.00 57.28 1xm1 n GLN 38 Cb 0.44 -2.23 -0.03 0.00 1.02 0.00 0.00 30.24 29.44 1xm1 n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1xm1 s GLU 39 N 5.36 1.54 -0.17 -1.09 -1.05 -1.13 -5.00 118.70 117.16 1xm1 s GLU 39 Ca 1.07 -0.82 -0.25 0.00 -0.15 0.00 0.00 54.97 54.83 1xm1 s GLU 39 Cb -1.00 0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 33.25 1xm1 s GLU 39 CO 0.56 -0.69 0.81 -1.17 0.95 0.00 0.00 175.26 175.73 1xm1 s LEU 40 N -2.86 4.17 -0.18 1.83 0.20 -1.26 -1.13 118.68 119.45 1xm1 s LEU 40 Ca 0.08 1.14 -0.16 0.00 0.69 0.00 0.00 54.13 55.87 1xm1 s LEU 40 Cb -0.03 -3.20 -0.21 0.00 -0.43 0.00 0.00 46.19 42.32 1xm1 s LEU 40 CO -0.01 -0.38 0.23 0.18 -0.29 0.00 0.00 176.35 176.08 1xm1 n LEU 41 N 5.20 2.12 0.00 -0.68 4.77 -0.29 -4.93 117.00 123.18 1xm1 n LEU 41 Ca 0.04 0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1xm1 n LEU 41 Cb 0.49 -1.01 0.02 0.00 -2.33 0.00 0.00 43.42 40.59 1xm1 n LEU 41 CO 0.48 0.48 0.60 0.00 -1.33 0.00 0.00 177.39 177.61 1xm1 s GLY 43 N -3.10 1.93 0.13 0.00 0.00 0.78 -1.01 107.32 106.06 1xm1 s GLY 43 Ca 0.17 -1.77 -0.17 0.00 0.00 0.00 0.00 44.72 42.96 1xm1 s GLY 43 CO 0.09 -1.55 0.80 0.00 0.00 0.00 0.00 173.10 172.43 1xm1 n ALA 44 N -1.90 -2.09 -3.16 3.20 0.00 0.15 -3.56 120.51 113.16 1xm1 n ALA 44 Ca 0.09 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 1xm1 n ALA 44 Cb 0.60 0.42 -0.10 0.00 0.00 0.00 0.00 19.45 20.37 1xm1 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xm1 s SER 45 N -2.88 -0.17 -0.25 0.00 1.04 -0.10 -1.21 113.70 110.12 1xm1 s SER 45 Ca 0.18 0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.63 1xm1 s SER 45 Cb -0.02 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 1xm1 s SER 45 CO 0.04 -0.26 0.60 -0.22 0.98 0.00 0.00 173.24 174.37 1xm1 s LEU 46 N -0.66 4.07 0.00 2.42 1.98 0.21 0.10 118.68 126.79 1xm1 s LEU 46 Ca -0.08 0.67 0.09 0.00 -2.89 0.00 0.00 54.13 51.92 1xm1 s LEU 46 Cb -0.04 -2.80 0.07 0.00 0.66 0.00 0.00 46.19 44.07 1xm1 s LEU 46 CO 0.02 -0.34 0.77 2.30 -1.89 0.00 0.00 176.35 177.21 1xm1 n ILE 47 N 5.13 0.00 -3.93 6.68 -5.35 -0.39 -1.54 119.36 119.96 1xm1 n ILE 47 Ca -0.02 -0.50 0.01 0.00 -0.27 0.00 0.00 62.75 61.98 1xm1 n ILE 47 Cb 0.49 1.18 0.01 0.00 -1.74 0.00 0.00 39.64 39.59 1xm1 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1xm1 n SER 48 N 0.46 -1.12 0.00 7.28 3.41 -1.20 -4.81 113.62 117.65 1xm1 n SER 48 Ca 0.05 -1.37 0.10 0.00 -0.26 0.00 0.00 58.87 57.40 1xm1 n SER 48 Cb 0.22 1.77 0.45 0.00 -0.26 0.00 0.00 64.21 66.39 1xm1 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xm1 n ASP 49 N -0.99 0.03 0.00 4.04 5.75 -1.26 -3.68 116.55 120.44 1xm1 n ASP 49 Ca 0.02 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1xm1 n ASP 49 Cb 0.48 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1xm1 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xm1 n ARG 50 N -1.53 1.51 -5.12 0.11 1.74 -1.26 -0.78 116.66 111.32 1xm1 n ARG 50 Ca 0.05 -0.21 -0.31 0.00 -0.77 0.00 0.00 57.85 56.61 1xm1 n ARG 50 Cb 0.25 -0.65 -0.17 0.00 -1.02 0.00 0.00 32.46 30.87 1xm1 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1xm1 s TRP 51 N -0.28 2.38 -0.12 -1.55 0.52 -1.24 -0.30 118.94 118.34 1xm1 s TRP 51 Ca 0.00 -0.94 0.02 0.00 0.02 0.00 0.00 56.10 55.20 1xm1 s TRP 51 Cb 0.00 -1.60 -0.00 0.00 -1.15 0.00 0.00 33.47 30.72 1xm1 s TRP 51 CO 0.00 -0.38 -0.20 0.08 0.02 0.00 0.00 176.95 176.47 1xm1 s VAL 52 N 0.34 2.36 0.02 4.03 1.01 -0.14 -1.26 120.40 126.76 1xm1 s VAL 52 Ca -0.17 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 1xm1 s VAL 52 Cb -0.17 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1xm1 s VAL 52 CO 0.08 0.54 0.27 -0.22 0.00 0.00 0.00 175.10 175.77 1xm1 s LEU 53 N 0.50 4.36 0.00 3.92 2.96 0.11 -0.20 118.68 130.34 1xm1 s LEU 53 Ca -0.13 0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 54.21 1xm1 s LEU 53 Cb -0.17 -2.72 0.04 0.00 0.50 0.00 0.00 46.19 43.85 1xm1 s LEU 53 CO 0.05 0.24 0.56 1.07 -1.32 0.00 0.00 176.35 176.95 1xm1 n THR 54 N 1.02 0.00 -3.09 3.68 5.66 0.15 -0.93 114.28 120.77 1xm1 n THR 54 Ca -0.10 -0.60 -0.39 0.00 -3.05 0.00 0.00 64.05 59.90 1xm1 n THR 54 Cb 0.53 0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 69.88 1xm1 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xm1 s ALA 55 N -1.71 3.46 0.26 1.79 0.00 -1.26 -0.40 121.76 123.90 1xm1 s ALA 55 Ca 0.12 0.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 1xm1 s ALA 55 Cb -0.03 -2.86 0.30 0.00 0.00 0.00 0.00 23.12 20.53 1xm1 s ALA 55 CO 0.07 0.22 1.93 0.00 0.00 0.00 0.00 175.76 177.98 1xm1 h ALA 56 N 5.03 1.31 0.00 0.00 0.00 -1.69 -1.80 119.26 122.11 1xm1 h ALA 56 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xm1 h ALA 56 Cb 1.21 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xm1 h ALA 56 CO 0.68 0.63 0.00 -2.39 0.00 0.00 0.00 179.25 178.17 1xm1 n HIS 57 N -4.40 0.24 0.18 0.00 1.44 -1.26 -0.40 115.22 111.03 1xm1 n HIS 57 Ca 0.12 0.12 0.05 0.00 -2.01 0.00 0.00 57.72 56.00 1xm1 n HIS 57 Cb 0.03 -0.69 0.31 0.00 0.12 0.00 0.00 29.99 29.76 1xm1 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xm1 n LEU 59 N -3.49 0.00 -3.63 0.00 4.77 0.46 -4.88 117.00 110.23 1xm1 n LEU 59 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1xm1 n LEU 59 Cb 0.53 0.20 -0.17 0.00 -2.33 0.00 0.00 43.42 41.66 1xm1 n LEU 59 CO 0.37 0.20 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.07 1xm1 s LEU 60 N -4.56 0.55 0.16 2.23 2.96 -0.22 -1.11 118.68 118.69 1xm1 s LEU 60 Ca -0.05 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.03 1xm1 s LEU 60 Cb 0.03 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.40 1xm1 s LEU 60 CO 0.39 -0.35 0.34 -0.47 -1.32 0.00 0.00 176.35 174.94 1xm1 s TYR 60 N 2.07 0.23 0.00 5.38 5.04 0.21 -4.15 117.35 126.12 1xm1 s TYR 60 Ca 0.02 -0.59 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1xm1 s TYR 60 Cb -0.16 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.21 1xm1 s TYR 60 CO -0.11 -0.75 0.00 -2.30 -1.34 0.00 0.00 175.55 171.04 1xm1 n PRO 60 N -0.23 0.00 -0.70 4.97 -0.02 -1.26 -2.30 135.00 135.45 1xm1 n PRO 60 Ca -0.09 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.44 1xm1 n PRO 60 Cb 0.63 0.00 0.32 0.00 -0.02 0.00 0.00 33.50 34.42 1xm1 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1xm1 n TRP 60 N 0.00 1.56 -3.74 6.00 8.01 -1.26 -4.93 117.44 123.08 1xm1 n TRP 60 Ca 0.00 -0.91 -0.28 0.00 -1.31 0.00 0.00 57.50 55.00 1xm1 n TRP 60 Cb 0.00 -0.45 0.02 0.00 -2.01 0.00 0.00 31.31 28.88 1xm1 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1xm1 n ASP 60 N -0.10 -4.85 -4.45 -0.99 9.92 -1.16 -4.95 116.55 109.97 1xm1 n ASP 60 Ca 0.27 -0.66 -0.38 0.00 -0.53 0.00 0.00 54.79 53.48 1xm1 n ASP 60 Cb 1.08 -3.89 -0.12 0.00 -0.64 0.00 0.00 41.12 37.55 1xm1 n ASP 60 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1xm1 s LYS 60 N -6.44 3.44 -0.45 -1.24 2.20 -0.97 -4.98 119.74 111.31 1xm1 s LYS 60 Ca 0.59 -0.64 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 1xm1 s LYS 60 Cb -0.30 -3.52 0.27 0.00 -1.51 0.00 0.00 37.83 32.77 1xm1 s LYS 60 CO 0.73 -0.35 0.85 -1.71 -0.36 0.00 0.00 175.35 174.51 1xm1 n ASN 60 N 4.98 -1.77 -4.76 1.43 5.15 -1.24 0.65 115.26 119.69 1xm1 n ASN 60 Ca -0.14 -3.24 -0.38 0.00 -0.60 0.00 0.00 54.58 50.21 1xm1 n ASN 60 Cb 0.50 1.11 0.00 0.00 -0.53 0.00 0.00 39.78 40.86 1xm1 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1xm1 s PHE 60 N -0.10 2.74 0.29 1.20 0.08 -0.27 -5.00 117.98 116.91 1xm1 s PHE 60 Ca 0.31 1.45 0.09 0.00 0.12 0.00 0.00 56.93 58.91 1xm1 s PHE 60 Cb 0.24 -3.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.07 1xm1 s PHE 60 CO -0.16 -2.02 0.00 -0.08 -0.10 0.00 0.00 175.22 172.87 1xm1 s THR 60 N -1.38 3.23 0.06 0.64 -1.32 -1.26 -4.89 115.64 110.72 1xm1 s THR 60 Ca 0.62 -1.93 -0.11 0.00 -1.21 0.00 0.00 61.69 59.06 1xm1 s THR 60 Cb -0.35 -2.82 -0.03 0.00 -1.51 0.00 0.00 72.50 67.80 1xm1 s THR 60 CO 0.43 -0.33 0.86 -0.62 -2.21 0.00 0.00 174.62 172.75 1xm1 n GLU 61 N -0.92 -0.16 0.08 7.08 -0.58 -1.26 -0.73 120.64 124.15 1xm1 n GLU 61 Ca -0.06 0.85 0.08 0.00 -0.42 0.00 0.00 57.16 57.62 1xm1 n GLU 61 Cb 0.60 -1.26 0.38 0.00 -0.57 0.00 0.00 31.44 30.59 1xm1 n GLU 61 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xm1 n ASN 62 N -3.86 0.35 0.21 1.62 5.03 -1.26 -2.30 115.26 115.05 1xm1 n ASN 62 Ca 0.01 0.62 0.08 0.00 0.87 0.00 0.00 54.58 56.15 1xm1 n ASN 62 Cb 0.09 -0.68 0.43 0.00 -1.02 0.00 0.00 39.78 38.60 1xm1 n ASN 62 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1xm1 h ASP 63 N 0.00 0.00 -0.68 6.41 3.45 -1.34 -3.47 116.42 120.80 1xm1 h ASP 63 Ca 0.00 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.85 1xm1 h ASP 63 Cb 0.18 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.87 1xm1 h ASP 63 CO 0.00 0.30 -0.40 -0.76 -1.57 0.00 0.00 179.24 176.80 1xm1 s LEU 64 N -7.10 2.64 -0.11 1.55 1.43 -0.97 -2.00 118.68 114.11 1xm1 s LEU 64 Ca -0.00 -1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 51.58 1xm1 s LEU 64 Cb 0.11 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.28 1xm1 s LEU 64 CO 0.66 -0.93 0.44 -0.76 0.23 0.00 0.00 176.35 175.99 1xm1 s LEU 65 N -4.09 0.31 -0.19 1.79 1.43 0.12 -4.43 118.68 113.63 1xm1 s LEU 65 Ca 0.26 0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 53.96 1xm1 s LEU 65 Cb -0.00 1.60 -0.03 0.00 0.03 0.00 0.00 46.19 47.79 1xm1 s LEU 65 CO 0.16 -0.30 0.01 0.68 0.23 0.00 0.00 176.35 177.13 1xm1 s VAL 66 N -0.40 4.15 -0.30 -1.59 -7.23 0.40 0.43 120.40 115.86 1xm1 s VAL 66 Ca -0.05 -0.25 -0.08 0.00 -1.81 0.00 0.00 61.98 59.78 1xm1 s VAL 66 Cb -0.03 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1xm1 s VAL 66 CO 0.03 0.44 0.11 -0.13 -0.31 0.00 0.00 175.10 175.24 1xm1 s ARG 67 N 0.76 3.16 0.07 4.82 0.52 0.39 -0.41 118.95 128.25 1xm1 s ARG 67 Ca 0.01 -0.82 0.09 0.00 -0.52 0.00 0.00 55.73 54.49 1xm1 s ARG 67 Cb -0.14 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 1xm1 s ARG 67 CO 0.02 -0.44 -0.24 -1.50 0.02 0.00 0.00 175.30 173.16 1xm1 s ILE 68 N 1.54 2.35 0.00 1.52 2.07 -0.23 -0.98 121.20 127.47 1xm1 s ILE 68 Ca 0.03 -1.43 0.00 0.00 -1.41 0.00 0.00 60.65 57.84 1xm1 s ILE 68 Cb -0.17 -1.97 0.00 0.00 0.13 0.00 0.00 42.46 40.45 1xm1 s ILE 68 CO 0.04 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.97 1xm1 n GLY 69 N 1.49 0.80 3.93 1.50 0.00 -1.26 0.54 105.19 112.20 1xm1 n GLY 69 Ca -0.17 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1xm1 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xm1 s LYS 70 N -0.66 3.44 0.11 1.61 1.02 -1.26 -4.16 119.74 119.84 1xm1 s LYS 70 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1xm1 s LYS 70 Cb 0.00 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1xm1 s LYS 70 CO 0.00 -0.06 0.00 1.58 -0.92 0.00 0.00 175.35 175.95 1xm1 n HIS 71 N -2.03 -0.92 -2.44 3.18 -0.00 -1.26 -4.95 115.22 106.80 1xm1 n HIS 71 Ca -0.02 0.16 -0.40 0.00 -0.00 0.00 0.00 57.72 57.46 1xm1 n HIS 71 Cb 0.56 0.44 -0.04 0.00 -0.00 0.00 0.00 29.99 30.94 1xm1 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1xm1 s SER 72 N -5.08 7.22 -0.00 0.26 0.15 -1.26 0.35 113.70 115.33 1xm1 s SER 72 Ca 0.00 2.28 -0.25 0.00 0.70 0.00 0.00 55.95 58.67 1xm1 s SER 72 Cb 0.00 -2.62 -0.19 0.00 -1.71 0.00 0.00 66.02 61.49 1xm1 s SER 72 CO 0.00 -0.20 1.34 -0.09 1.20 0.00 0.00 173.24 175.49 1xm1 h ARG 73 N 4.05 -0.02 0.00 5.44 2.43 -0.83 -3.38 114.38 122.07 1xm1 h ARG 73 Ca -0.46 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1xm1 h ARG 73 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1xm1 h ARG 73 CO 0.68 0.38 -1.98 0.25 -1.51 0.00 0.00 179.97 177.79 1xm1 n THR 74 N -4.91 0.06 -2.86 0.20 -2.24 -1.26 -5.00 114.28 98.28 1xm1 n THR 74 Ca -0.08 -0.51 -0.34 0.00 -2.27 0.00 0.00 64.05 60.84 1xm1 n THR 74 Cb 0.21 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 1xm1 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xm1 s ARG 75 N -3.49 4.31 -0.72 -0.78 1.81 -1.26 -4.99 118.95 113.84 1xm1 s ARG 75 Ca -0.08 1.12 -0.24 0.00 -1.72 0.00 0.00 55.73 54.81 1xm1 s ARG 75 Cb 0.14 -2.44 0.05 0.00 -0.45 0.00 0.00 34.95 32.25 1xm1 s ARG 75 CO 0.90 0.11 1.12 -0.47 -0.68 0.00 0.00 175.30 176.28 1xm1 s TYR 76 N -1.95 2.52 -1.10 -0.53 5.04 -1.26 -4.87 117.35 115.20 1xm1 s TYR 76 Ca 0.56 -0.38 -0.21 0.00 -2.44 0.00 0.00 57.07 54.60 1xm1 s TYR 76 Cb -0.12 -4.45 -0.08 0.00 0.35 0.00 0.00 41.96 37.66 1xm1 s TYR 76 CO 0.17 -1.84 1.92 0.39 -1.34 0.00 0.00 175.55 174.86 1xm1 n GLU 77 N 8.42 1.89 -1.53 4.97 1.02 -1.26 -4.94 120.64 129.21 1xm1 n GLU 77 Ca 0.01 -2.41 -0.46 0.00 -0.02 0.00 0.00 57.16 54.28 1xm1 n GLU 77 Cb 0.47 -3.42 -0.02 0.00 -0.02 0.00 0.00 31.44 28.45 1xm1 n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1xm1 n ARG 77 N 7.75 0.90 0.00 3.49 0.63 -1.26 -1.11 116.66 127.06 1xm1 n ARG 77 Ca 0.47 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1xm1 n ARG 77 Cb 0.44 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.76 1xm1 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1xm1 n ASN 78 N 1.55 0.00 -0.05 6.15 5.03 -1.26 -4.65 115.26 122.02 1xm1 n ASN 78 Ca 0.13 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.46 1xm1 n ASN 78 Cb 0.29 -0.54 -0.04 0.00 -1.02 0.00 0.00 39.78 38.46 1xm1 n ASN 78 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xm1 n ILE 79 N -1.73 0.86 -2.06 2.41 3.06 -0.70 -5.04 119.36 116.17 1xm1 n ILE 79 Ca 0.00 -0.08 -0.32 0.00 -2.50 0.00 0.00 62.75 59.85 1xm1 n ILE 79 Cb 0.00 -1.74 0.00 0.00 0.54 0.00 0.00 39.64 38.45 1xm1 n ILE 79 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1xm1 s GLU 80 N -2.28 3.48 -0.07 9.51 -1.05 -0.27 -4.77 118.70 123.24 1xm1 s GLU 80 Ca -0.17 1.04 0.02 0.00 -0.15 0.00 0.00 54.97 55.71 1xm1 s GLU 80 Cb 0.06 -2.06 0.01 0.00 -0.44 0.00 0.00 34.13 31.70 1xm1 s GLU 80 CO 0.22 -0.67 -0.13 0.15 0.95 0.00 0.00 175.26 175.78 1xm1 s LYS 81 N -4.34 1.87 -0.22 -4.83 -0.14 0.19 -4.91 119.74 107.36 1xm1 s LYS 81 Ca 0.60 -0.47 -0.11 0.00 -1.36 0.00 0.00 55.97 54.63 1xm1 s LYS 81 Cb -0.13 -1.54 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 1xm1 s LYS 81 CO 0.40 0.02 0.19 0.42 -0.76 0.00 0.00 175.35 175.63 1xm1 s ILE 82 N 0.70 5.35 0.02 2.17 1.09 -1.26 -1.07 121.20 128.20 1xm1 s ILE 82 Ca -0.14 0.28 0.08 0.00 -1.10 0.00 0.00 60.65 59.78 1xm1 s ILE 82 Cb -0.16 -3.53 -0.03 0.00 -1.06 0.00 0.00 42.46 37.68 1xm1 s ILE 82 CO 0.03 0.36 -0.23 -0.44 -0.10 0.00 0.00 174.94 174.57 1xm1 s SER 83 N 0.80 3.39 0.24 3.58 0.01 0.45 -4.96 113.70 117.21 1xm1 s SER 83 Ca 0.10 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 1xm1 s SER 83 Cb -0.13 -0.43 -0.08 0.00 0.21 0.00 0.00 66.02 65.59 1xm1 s SER 83 CO 0.03 0.28 0.59 -0.04 0.41 0.00 0.00 173.24 174.51 1xm1 s MET 84 N -1.12 3.87 0.11 12.44 -1.94 -1.26 -0.45 119.30 130.95 1xm1 s MET 84 Ca 0.12 0.39 -0.22 0.00 -1.71 0.00 0.00 55.69 54.27 1xm1 s MET 84 Cb -0.10 -2.62 -0.07 0.00 2.01 0.00 0.00 34.83 34.04 1xm1 s MET 84 CO 0.02 0.29 0.67 -0.51 -0.01 0.00 0.00 175.02 175.49 1xm1 s LEU 85 N -2.77 4.55 -0.22 -0.03 1.02 -1.26 -2.03 118.68 117.93 1xm1 s LEU 85 Ca 0.48 1.44 0.01 0.00 0.02 0.00 0.00 54.13 56.08 1xm1 s LEU 85 Cb -0.11 -3.09 -0.19 0.00 0.02 0.00 0.00 46.19 42.81 1xm1 s LEU 85 CO 0.20 0.23 -0.08 1.21 0.02 0.00 0.00 176.35 177.93 1xm1 n GLU 86 N 1.76 0.68 -3.64 1.70 2.13 0.11 -4.70 120.64 118.68 1xm1 n GLU 86 Ca -0.08 0.17 -0.09 0.00 0.66 0.00 0.00 57.16 57.83 1xm1 n GLU 86 Cb 0.50 -1.57 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 1xm1 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1xm1 s LYS 87 N -2.53 0.70 -0.09 5.31 2.36 -1.17 -5.00 119.74 119.32 1xm1 s LYS 87 Ca -0.31 1.09 -0.16 0.00 -2.55 0.00 0.00 55.97 54.03 1xm1 s LYS 87 Cb 0.08 0.21 -0.05 0.00 -1.05 0.00 0.00 37.83 37.03 1xm1 s LYS 87 CO 0.65 -0.13 0.42 0.42 1.55 0.00 0.00 175.35 178.26 1xm1 s ILE 88 N 1.22 5.17 -0.23 5.43 -1.09 -1.26 -2.10 121.20 128.34 1xm1 s ILE 88 Ca -0.07 0.84 0.01 0.00 -2.23 0.00 0.00 60.65 59.21 1xm1 s ILE 88 Cb -0.05 -3.75 0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1xm1 s ILE 88 CO -0.13 0.41 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.60 1xm1 s TYR 89 N 0.13 2.52 -0.11 3.97 1.51 -0.47 -5.02 117.35 119.87 1xm1 s TYR 89 Ca 0.23 -1.78 -0.05 0.00 -1.01 0.00 0.00 57.07 54.47 1xm1 s TYR 89 Cb -0.15 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1xm1 s TYR 89 CO 0.10 -0.78 0.07 0.42 -1.11 0.00 0.00 175.55 174.25 1xm1 s ILE 90 N 1.36 4.89 0.00 2.71 1.01 -1.26 -1.29 121.20 128.61 1xm1 s ILE 90 Ca -0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 60.65 60.23 1xm1 s ILE 90 Cb -0.18 -3.11 -0.13 0.00 0.01 0.00 0.00 42.46 39.05 1xm1 s ILE 90 CO -0.07 0.60 1.71 1.57 0.00 0.00 0.00 174.94 178.75 1xm1 n HIS 91 N 2.23 2.22 -0.14 3.97 -0.00 -1.12 -4.84 115.22 117.54 1xm1 n HIS 91 Ca -0.19 0.19 0.25 0.00 -0.00 0.00 0.00 57.72 57.98 1xm1 n HIS 91 Cb 0.54 -2.57 0.69 0.00 -0.00 0.00 0.00 29.99 28.64 1xm1 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1xm1 h PRO 92 N 7.45 0.05 -0.47 1.57 0.13 -1.95 -1.10 132.00 137.68 1xm1 h PRO 92 Ca -0.47 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1xm1 h PRO 92 Cb 1.27 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 1xm1 h PRO 92 CO 0.91 0.03 0.09 0.54 -0.23 0.00 0.00 178.00 179.35 1xm1 n ARG 93 N -4.33 2.97 -1.66 0.86 1.74 -1.26 -4.99 116.66 110.00 1xm1 n ARG 93 Ca 0.16 -3.02 -0.44 0.00 -0.77 0.00 0.00 57.85 53.78 1xm1 n ARG 93 Cb 0.83 -1.98 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1xm1 n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1xm1 n TYR 94 N -0.53 2.38 -2.76 -1.55 9.36 -0.42 -4.74 117.16 118.91 1xm1 n TYR 94 Ca 0.32 -0.23 -0.43 0.00 3.32 0.00 0.00 57.90 60.87 1xm1 n TYR 94 Cb 1.12 -2.75 0.00 0.00 -0.63 0.00 0.00 39.34 37.09 1xm1 n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1xm1 n ASN 95 N 7.79 5.34 0.24 2.98 2.85 0.31 -4.77 115.26 129.99 1xm1 n ASN 95 Ca 0.22 -3.08 0.12 0.00 -0.11 0.00 0.00 54.58 51.72 1xm1 n ASN 95 Cb 0.38 -1.48 0.55 0.00 1.24 0.00 0.00 39.78 40.46 1xm1 n ASN 95 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1xm1 h TRP 96 N 6.35 0.00 -0.57 1.20 5.08 -1.91 0.82 115.95 126.92 1xm1 h TRP 96 Ca 0.32 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.20 1xm1 h TRP 96 Cb 0.75 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.89 1xm1 h TRP 96 CO 1.11 0.17 0.02 0.00 -1.28 0.00 0.00 178.44 178.46 1xm1 h ARG 97 N 0.00 0.99 0.00 0.12 3.08 -2.00 -3.43 114.38 113.14 1xm1 h ARG 97 Ca -0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1xm1 h ARG 97 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1xm1 h ARG 97 CO 0.02 0.98 -0.31 -1.91 -1.07 0.00 0.00 179.97 177.68 1xm1 n GLU 97 N -4.26 0.16 -0.47 0.04 2.13 -1.21 -4.97 120.64 112.05 1xm1 n GLU 97 Ca 0.02 0.06 0.02 0.00 0.66 0.00 0.00 57.16 57.93 1xm1 n GLU 97 Cb 0.32 -0.77 0.03 0.00 0.27 0.00 0.00 31.44 31.29 1xm1 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1xm1 n ASN 98 N -3.76 0.49 -1.63 4.31 2.04 -1.20 -4.96 115.26 110.54 1xm1 n ASN 98 Ca -0.04 -2.22 -0.19 0.00 -0.44 0.00 0.00 54.58 51.69 1xm1 n ASN 98 Cb 0.16 -0.25 -0.07 0.00 -2.53 0.00 0.00 39.78 37.09 1xm1 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1xm1 n LEU 99 N -0.24 -1.51 -4.69 -4.53 4.32 0.28 -4.93 117.00 105.70 1xm1 n LEU 99 Ca 0.03 0.38 -0.44 0.00 -0.02 0.00 0.00 56.01 55.97 1xm1 n LEU 99 Cb 0.71 -2.71 -0.02 0.00 -1.62 0.00 0.00 43.42 39.78 1xm1 n LEU 99 CO -0.00 -0.85 1.03 -0.67 -1.22 0.00 0.00 177.39 175.68 1xm1 n ASP 100 N -1.25 2.94 -3.41 -1.43 4.64 -1.24 -2.06 116.55 114.74 1xm1 n ASP 100 Ca -0.20 1.16 -0.19 0.00 -1.38 0.00 0.00 54.79 54.17 1xm1 n ASP 100 Cb 0.65 -1.47 0.08 0.00 -1.04 0.00 0.00 41.12 39.34 1xm1 n ASP 100 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1xm1 n ARG 101 N 1.77 -6.95 -2.03 -0.67 1.74 -1.26 -0.53 116.66 108.73 1xm1 n ARG 101 Ca 0.10 0.82 -0.40 0.00 -0.77 0.00 0.00 57.85 57.59 1xm1 n ARG 101 Cb 0.33 -5.77 -0.02 0.00 -1.02 0.00 0.00 32.46 25.98 1xm1 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xm1 n ASP 102 N -2.99 3.91 -3.88 0.55 2.03 -0.87 -4.38 116.55 110.92 1xm1 n ASP 102 Ca -0.17 -2.82 -0.11 0.00 0.52 0.00 0.00 54.79 52.22 1xm1 n ASP 102 Cb 0.62 -1.62 -0.11 0.00 -0.72 0.00 0.00 41.12 39.29 1xm1 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xm1 s ILE 103 N 5.37 0.07 -0.13 5.18 2.07 -1.26 -3.65 121.20 128.85 1xm1 s ILE 103 Ca 0.55 -0.58 -0.22 0.00 -1.41 0.00 0.00 60.65 58.99 1xm1 s ILE 103 Cb 0.07 -0.34 0.05 0.00 0.13 0.00 0.00 42.46 42.38 1xm1 s ILE 103 CO 0.05 -0.32 0.56 0.00 -1.91 0.00 0.00 174.94 173.32 1xm1 s ALA 104 N -1.08 -1.41 0.08 1.50 0.00 0.47 -2.80 121.76 118.51 1xm1 s ALA 104 Ca -0.12 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.20 1xm1 s ALA 104 Cb -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1xm1 s ALA 104 CO 0.01 -0.30 0.00 -0.51 0.00 0.00 0.00 175.76 174.96 1xm1 s LEU 105 N -0.40 3.49 -0.11 0.00 1.43 -0.41 -0.68 118.68 122.00 1xm1 s LEU 105 Ca -0.05 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1xm1 s LEU 105 Cb -0.03 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 44.02 1xm1 s LEU 105 CO 0.04 0.19 -0.05 -0.04 0.23 0.00 0.00 176.35 176.71 1xm1 s MET 106 N -2.23 1.29 -0.19 1.70 -1.94 0.72 -1.37 119.30 117.28 1xm1 s MET 106 Ca 0.25 -0.19 -0.18 0.00 -1.71 0.00 0.00 55.69 53.86 1xm1 s MET 106 Cb -0.12 -1.48 -0.03 0.00 2.01 0.00 0.00 34.83 35.21 1xm1 s MET 106 CO 0.18 -0.29 0.51 0.21 -0.01 0.00 0.00 175.02 175.61 1xm1 s LYS 107 N 1.77 4.22 0.33 2.03 2.20 -0.89 -0.97 119.74 128.43 1xm1 s LYS 107 Ca 0.05 0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 55.81 1xm1 s LYS 107 Cb -0.13 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 1xm1 s LYS 107 CO -0.07 -0.09 0.95 -0.51 -0.36 0.00 0.00 175.35 175.27 1xm1 s LEU 108 N 1.45 4.30 0.27 5.43 1.43 0.58 0.10 118.68 132.24 1xm1 s LEU 108 Ca 0.24 1.85 -0.01 0.00 -1.03 0.00 0.00 54.13 55.18 1xm1 s LEU 108 Cb -0.15 -4.06 0.47 0.00 0.03 0.00 0.00 46.19 42.48 1xm1 s LEU 108 CO 0.10 -0.12 1.86 0.11 0.23 0.00 0.00 176.35 178.53 1xm1 h LYS 109 N 3.05 1.07 -4.99 1.70 1.57 -1.69 -3.43 116.57 113.85 1xm1 h LYS 109 Ca -0.47 -0.06 -0.34 0.00 -1.87 0.00 0.00 60.65 57.90 1xm1 h LYS 109 Cb 1.19 -0.24 -0.20 0.00 0.08 0.00 0.00 32.23 33.06 1xm1 h LYS 109 CO 0.65 0.71 -0.75 0.15 -0.57 0.00 0.00 179.45 179.63 1xm1 s LYS 110 N -6.00 0.73 0.58 3.15 1.02 -1.26 -5.02 119.74 112.94 1xm1 s LYS 110 Ca -0.12 -0.95 -0.20 0.00 0.02 0.00 0.00 55.97 54.72 1xm1 s LYS 110 Cb 0.21 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.91 1xm1 s LYS 110 CO 0.81 0.11 1.31 -2.14 -0.92 0.00 0.00 175.35 174.52 1xm1 s PRO 111 N -1.97 2.97 0.07 -1.68 0.02 -1.26 -4.85 135.00 128.29 1xm1 s PRO 111 Ca -0.03 2.10 -0.10 0.00 0.02 0.00 0.00 61.00 63.00 1xm1 s PRO 111 Cb -0.08 -2.09 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 1xm1 s PRO 111 CO 0.01 -1.28 0.39 0.54 -0.33 0.00 0.00 177.00 176.32 1xm1 s VAL 112 N -1.38 5.11 -0.25 3.83 0.11 0.04 -5.02 120.40 122.85 1xm1 s VAL 112 Ca 0.75 0.42 -0.24 0.00 -2.93 0.00 0.00 61.98 59.99 1xm1 s VAL 112 Cb -0.38 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 30.83 1xm1 s VAL 112 CO 0.42 0.30 0.79 0.00 -3.33 0.00 0.00 175.10 173.28 1xm1 s ALA 113 N -1.39 3.63 0.75 1.54 0.00 -1.26 -4.83 121.76 120.20 1xm1 s ALA 113 Ca 0.32 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 1xm1 s ALA 113 Cb -0.14 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.79 1xm1 s ALA 113 CO 0.18 -0.94 1.18 -0.06 0.00 0.00 0.00 175.76 176.12 1xm1 s PHE 114 N 2.80 2.08 0.00 0.00 0.08 -1.26 -4.85 117.98 116.82 1xm1 s PHE 114 Ca 0.33 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.00 1xm1 s PHE 114 Cb -0.15 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.90 1xm1 s PHE 114 CO 0.08 -2.50 0.00 -1.13 -0.10 0.00 0.00 175.22 171.57 1xm1 n SER 115 N -2.94 0.00 0.24 1.36 3.41 0.02 -4.93 113.62 110.78 1xm1 n SER 115 Ca 0.13 -0.49 0.10 0.00 -0.26 0.00 0.00 58.87 58.35 1xm1 n SER 115 Cb 0.51 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.05 1xm1 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xm1 h ASP 116 N 0.00 0.00 -0.00 4.04 3.45 -1.98 -3.13 116.42 118.80 1xm1 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xm1 h ASP 116 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1xm1 h ASP 116 CO 0.00 0.19 -0.61 -1.22 -1.57 0.00 0.00 179.24 176.03 1xm1 n TYR 117 N -3.64 0.00 -3.96 4.55 4.02 -1.26 -4.38 117.16 112.50 1xm1 n TYR 117 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 1xm1 n TYR 117 Cb 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.48 1xm1 n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1xm1 s ILE 118 N -2.22 1.63 -0.19 -0.72 1.01 -1.18 -4.23 121.20 115.29 1xm1 s ILE 118 Ca 0.05 -1.32 -0.22 0.00 0.00 0.00 0.00 60.65 59.16 1xm1 s ILE 118 Cb 0.10 -1.89 0.06 0.00 0.01 0.00 0.00 42.46 40.74 1xm1 s ILE 118 CO 0.53 -0.12 0.60 -2.28 0.00 0.00 0.00 174.94 173.67 1xm1 s HIS 119 N 1.34 -0.64 0.40 3.97 2.46 -0.51 -0.80 115.29 121.51 1xm1 s HIS 119 Ca -0.05 1.49 -0.23 0.00 0.47 0.00 0.00 55.06 56.74 1xm1 s HIS 119 Cb -0.19 0.24 -0.10 0.00 -0.13 0.00 0.00 32.58 32.40 1xm1 s HIS 119 CO -0.06 -0.36 0.97 -1.25 -2.47 0.00 0.00 174.74 171.57 1xm1 s PRO 120 N 0.05 4.27 0.44 2.88 0.04 -1.26 -2.04 135.00 139.38 1xm1 s PRO 120 Ca -0.02 1.27 -0.07 0.00 0.04 0.00 0.00 61.00 62.22 1xm1 s PRO 120 Cb -0.04 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1xm1 s PRO 120 CO 0.02 -0.01 0.76 0.54 0.04 0.00 0.00 177.00 178.35 1xm1 s VAL 121 N -1.92 4.88 0.43 -0.36 0.11 -0.59 -1.32 120.40 121.64 1xm1 s VAL 121 Ca 0.59 0.30 -0.09 0.00 -2.93 0.00 0.00 61.98 59.85 1xm1 s VAL 121 Cb -0.14 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1xm1 s VAL 121 CO 0.19 -0.71 0.78 0.00 -3.33 0.00 0.00 175.10 172.03 1xm1 s LEU 123 N -4.18 4.13 0.40 0.00 1.43 -1.26 -1.35 118.68 117.85 1xm1 s LEU 123 Ca 0.50 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.63 1xm1 s LEU 123 Cb -0.10 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 1xm1 s LEU 123 CO 0.36 0.30 1.23 -2.16 0.23 0.00 0.00 176.35 176.31 1xm1 s PRO 124 N -0.36 4.03 0.43 1.29 0.04 -1.26 -4.96 135.00 134.22 1xm1 s PRO 124 Ca 0.11 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.19 1xm1 s PRO 124 Cb -0.12 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.71 1xm1 s PRO 124 CO 0.01 -0.38 0.59 0.16 0.04 0.00 0.00 177.00 177.42 1xm1 s ASP 125 N -0.95 5.62 0.21 6.66 -4.77 -1.26 -4.80 116.67 117.37 1xm1 s ASP 125 Ca 0.57 -0.37 -0.11 0.00 -3.30 0.00 0.00 52.55 49.33 1xm1 s ASP 125 Cb -0.34 -0.69 0.29 0.00 -1.09 0.00 0.00 42.92 41.09 1xm1 s ASP 125 CO 0.43 -0.80 1.66 -0.09 0.70 0.00 0.00 175.17 177.07 1xm1 h ARG 126 N 0.58 0.11 -0.39 2.11 2.43 -1.97 -2.51 114.38 114.74 1xm1 h ARG 126 Ca -0.40 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1xm1 h ARG 126 Cb 1.28 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1xm1 h ARG 126 CO 0.46 0.07 0.16 0.93 -1.51 0.00 0.00 179.97 180.08 1xm1 h GLU 127 N 0.11 0.57 -0.48 0.20 3.07 -2.04 -0.66 114.58 115.35 1xm1 h GLU 127 Ca 0.32 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1xm1 h GLU 127 Cb 0.51 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1xm1 h GLU 127 CO -0.53 0.53 0.00 2.41 -1.40 0.00 0.00 179.01 180.03 1xm1 n THR 128 N -4.67 0.00 0.00 1.13 -1.04 -0.94 -1.45 114.28 107.30 1xm1 n THR 128 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xm1 n THR 128 Cb 0.13 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1xm1 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xm1 n ALA 129 N 0.61 0.00 0.21 2.41 0.00 -0.26 -1.80 120.51 121.69 1xm1 n ALA 129 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1xm1 n ALA 129 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1xm1 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xm1 h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.52 -3.37 113.55 113.31 1xm1 h SER 129 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1xm1 h SER 129 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1xm1 h SER 129 CO 0.00 0.18 -2.01 0.18 -0.87 0.00 0.00 176.83 174.31 1xm1 n LEU 129 N -3.20 0.00 -3.65 5.97 4.77 -0.74 -4.73 117.00 115.41 1xm1 n LEU 129 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 1xm1 n LEU 129 Cb 0.52 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 1xm1 n LEU 129 CO 0.34 0.20 2.65 0.18 -1.33 0.00 0.00 177.39 179.43 1xm1 n LEU 130 N -2.37 7.30 -4.32 2.23 4.77 -1.26 -4.82 117.00 118.53 1xm1 n LEU 130 Ca -0.15 -4.36 -0.28 0.00 -0.03 0.00 0.00 56.01 51.19 1xm1 n LEU 130 Cb 0.75 -1.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.13 1xm1 n LEU 130 CO 0.38 1.44 -0.55 -1.10 -1.33 0.00 0.00 177.39 176.23 1xm1 s GLN 131 N 1.99 1.53 0.27 3.23 -0.21 -1.26 -4.99 119.66 120.22 1xm1 s GLN 131 Ca 0.50 -1.12 -0.30 0.00 0.02 0.00 0.00 55.36 54.46 1xm1 s GLN 131 Cb 0.14 -1.77 -0.13 0.00 1.00 0.00 0.00 33.01 32.25 1xm1 s GLN 131 CO -0.06 0.44 1.36 0.00 -2.12 0.00 0.00 175.29 174.91 1xm1 n ALA 132 N 1.54 1.12 0.00 6.09 0.00 -1.26 -1.58 120.51 126.42 1xm1 n ALA 132 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1xm1 n ALA 132 Cb 0.53 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1xm1 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm1 n GLY 133 N 1.74 2.76 3.71 0.00 0.00 -0.48 -4.95 105.19 107.97 1xm1 n GLY 133 Ca 0.10 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1xm1 n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xm1 n TYR 134 N 0.00 2.70 -3.39 1.61 4.02 -0.61 -4.55 117.16 116.93 1xm1 n TYR 134 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 1xm1 n TYR 134 Cb 0.00 -2.68 -0.05 0.00 -0.02 0.00 0.00 39.34 36.58 1xm1 n TYR 134 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1xm1 s LYS 135 N 1.56 3.81 0.42 -0.72 1.02 -1.26 -1.49 119.74 123.08 1xm1 s LYS 135 Ca 0.77 0.29 0.03 0.00 0.02 0.00 0.00 55.97 57.08 1xm1 s LYS 135 Cb -0.51 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1xm1 s LYS 135 CO 0.34 0.30 0.08 0.20 -0.92 0.00 0.00 175.35 175.34 1xm1 s GLY 136 N -2.39 2.62 -0.09 -3.33 0.00 0.79 -4.86 107.32 100.06 1xm1 s GLY 136 Ca 0.48 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1xm1 s GLY 136 CO 0.21 -1.94 -0.19 -1.60 0.00 0.00 0.00 173.10 169.58 1xm1 s ARG 137 N -3.79 2.47 -0.08 2.90 3.52 0.25 0.15 118.95 124.37 1xm1 s ARG 137 Ca 0.22 -0.68 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 1xm1 s ARG 137 Cb 0.04 -1.92 -0.02 0.00 -1.56 0.00 0.00 34.95 31.49 1xm1 s ARG 137 CO 0.12 0.11 -0.18 0.08 -0.81 0.00 0.00 175.30 174.62 1xm1 s VAL 138 N 0.50 2.69 0.12 7.11 1.01 0.58 -0.25 120.40 132.16 1xm1 s VAL 138 Ca -0.17 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1xm1 s VAL 138 Cb -0.17 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1xm1 s VAL 138 CO 0.06 0.56 -0.14 0.42 0.00 0.00 0.00 175.10 176.01 1xm1 s THR 139 N -0.17 1.30 0.00 3.92 -4.23 -1.24 -1.20 115.64 114.01 1xm1 s THR 139 Ca -0.02 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1xm1 s THR 139 Cb -0.14 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1xm1 s THR 139 CO 0.03 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1xm1 n GLY 140 N 0.49 0.63 1.29 3.99 0.00 -0.63 -4.49 105.19 106.47 1xm1 n GLY 140 Ca -0.15 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 44.92 1xm1 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xm1 n TRP 141 N -0.52 1.29 -0.64 1.61 8.01 -1.26 -1.36 117.44 124.56 1xm1 n TRP 141 Ca 0.00 -0.71 -0.31 0.00 -1.31 0.00 0.00 57.50 55.17 1xm1 n TRP 141 Cb 0.00 -0.29 0.28 0.00 -2.01 0.00 0.00 31.31 29.28 1xm1 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1xm1 s GLY 142 N -1.24 1.47 0.78 6.99 0.00 -1.26 -4.62 107.32 109.44 1xm1 s GLY 142 Ca 0.45 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 44.07 1xm1 s GLY 142 CO 0.16 0.04 1.20 -1.31 0.00 0.00 0.00 173.10 173.19 1xm1 s ASN 143 N -3.53 3.87 0.11 1.64 0.01 0.11 -3.36 114.94 113.79 1xm1 s ASN 143 Ca 0.70 2.33 0.24 0.00 -0.71 0.00 0.00 52.86 55.42 1xm1 s ASN 143 Cb -0.10 -2.58 0.25 0.00 0.41 0.00 0.00 41.25 39.22 1xm1 s ASN 143 CO 0.57 -2.48 1.23 -0.07 -1.51 0.00 0.00 177.10 174.84 1xm1 h LEU 144 N -0.68 0.00 -7.52 0.60 3.38 -0.70 -0.76 115.31 109.63 1xm1 h LEU 144 Ca -0.47 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.13 1xm1 h LEU 144 Cb 1.29 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.81 1xm1 h LEU 144 CO 0.48 0.12 -0.37 -0.54 0.09 0.00 0.00 178.44 178.22 1xm1 s LYS 145 N -3.19 0.47 0.20 1.13 1.02 -1.26 -4.29 119.74 113.82 1xm1 s LYS 145 Ca 0.05 0.07 -0.10 0.00 0.02 0.00 0.00 55.97 56.00 1xm1 s LYS 145 Cb 0.13 0.21 0.14 0.00 -0.52 0.00 0.00 37.83 37.80 1xm1 s LYS 145 CO 0.75 -0.10 1.84 1.49 -0.92 0.00 0.00 175.35 178.41 1xm1 h GLU 146 N 4.85 1.01 -6.22 1.68 4.81 -1.91 -3.41 114.58 115.39 1xm1 h GLU 146 Ca -0.28 -0.10 -0.55 0.00 -0.13 0.00 0.00 59.36 58.31 1xm1 h GLU 146 Cb 1.19 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 1xm1 h GLU 146 CO 0.37 0.72 1.26 0.95 -0.73 0.00 0.00 179.01 181.58 1xm1 s THR 147 N -5.95 3.51 -0.00 0.32 -4.23 -1.26 -4.85 115.64 103.18 1xm1 s THR 147 Ca -0.13 0.46 -0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1xm1 s THR 147 Cb 0.15 -3.87 -0.00 0.00 1.34 0.00 0.00 72.50 70.12 1xm1 s THR 147 CO 0.79 -0.67 0.00 0.79 -0.54 0.00 0.00 174.62 174.99 1xm1 n TRP 148 N 10.86 0.00 -3.65 3.99 7.02 -1.26 -4.93 117.44 129.46 1xm1 n TRP 148 Ca 0.21 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.54 1xm1 n TRP 148 Cb 0.49 -0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.30 1xm1 n TRP 148 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1xm1 s THR 149 N 0.00 0.02 0.00 -0.99 -4.23 -1.26 -5.07 115.64 104.11 1xm1 s THR 149 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1xm1 s THR 149 Cb -0.00 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.05 1xm1 s THR 149 CO 0.00 -0.10 0.00 0.00 -0.54 0.00 0.00 174.62 173.98 1xm1 n ALA 149 N 1.56 0.00 -1.29 3.99 0.00 -1.26 -3.81 120.51 119.70 1xm1 n ALA 149 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 1xm1 n ALA 149 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1xm1 n ALA 149 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xm1 n ASN 149 N 0.00 4.37 0.00 0.00 2.85 -1.26 -2.24 115.26 118.99 1xm1 n ASN 149 Ca 0.00 -2.65 0.00 0.00 -0.11 0.00 0.00 54.58 51.82 1xm1 n ASN 149 Cb 0.00 -1.36 0.00 0.00 1.24 0.00 0.00 39.78 39.66 1xm1 n ASN 149 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1xm1 n VAL 149 N 5.00 0.00 -2.55 3.44 3.14 -1.26 -4.96 118.33 121.14 1xm1 n VAL 149 Ca 0.54 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.85 1xm1 n VAL 149 Cb 0.32 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.14 1xm1 n VAL 149 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xm1 n GLY 149 N -1.08 3.20 2.45 7.55 0.00 -1.21 -5.05 105.19 111.04 1xm1 n GLY 149 Ca 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 1xm1 n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xm1 n LYS 149 N -0.59 -4.27 0.08 1.61 5.02 -1.21 -4.83 118.16 113.96 1xm1 n LYS 149 Ca 0.18 3.24 0.00 0.00 -2.02 0.00 0.00 58.31 59.71 1xm1 n LYS 149 Cb 0.86 -4.65 0.00 0.00 -0.02 0.00 0.00 35.03 31.23 1xm1 n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xm1 n GLY 150 N 1.56 -0.67 3.58 0.72 0.00 -0.95 -4.59 105.19 104.85 1xm1 n GLY 150 Ca -0.34 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1xm1 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xm1 s GLN 151 N -2.00 3.62 0.47 1.61 -0.21 -1.25 -0.18 119.66 121.73 1xm1 s GLN 151 Ca 0.00 -0.44 -0.19 0.00 0.02 0.00 0.00 55.36 54.75 1xm1 s GLN 151 Cb 0.00 -2.98 -0.09 0.00 1.00 0.00 0.00 33.01 30.94 1xm1 s GLN 151 CO 0.00 0.36 0.98 -1.25 -2.12 0.00 0.00 175.29 173.26 1xm1 s PRO 152 N 0.08 4.02 0.12 2.91 0.04 -1.26 -4.77 135.00 136.14 1xm1 s PRO 152 Ca 0.02 1.12 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1xm1 s PRO 152 Cb -0.13 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 1xm1 s PRO 152 CO 0.02 -0.21 1.31 1.03 0.04 0.00 0.00 177.00 179.18 1xm1 h SER 153 N 1.48 0.68 -3.47 6.66 0.87 -1.97 -3.42 113.55 114.37 1xm1 h SER 153 Ca -0.48 -0.50 -0.43 0.00 -1.23 0.00 0.00 61.79 59.14 1xm1 h SER 153 Cb 1.19 -0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 62.80 1xm1 h SER 153 CO 0.61 1.29 -0.65 0.68 -0.53 0.00 0.00 176.83 178.23 1xm1 s VAL 154 N -3.45 1.23 0.15 2.23 -7.23 -1.26 -0.18 120.40 111.88 1xm1 s VAL 154 Ca -0.07 -2.05 -0.34 0.00 -1.81 0.00 0.00 61.98 57.71 1xm1 s VAL 154 Cb 0.09 -2.50 -0.16 0.00 0.56 0.00 0.00 36.38 34.36 1xm1 s VAL 154 CO 0.88 -0.22 1.12 -0.11 -0.31 0.00 0.00 175.10 176.45 1xm1 n LEU 155 N -0.54 1.13 -4.72 1.32 7.94 0.15 -4.81 117.00 117.48 1xm1 n LEU 155 Ca -0.04 1.14 -0.32 0.00 -1.11 0.00 0.00 56.01 55.68 1xm1 n LEU 155 Cb 0.65 -1.16 -0.08 0.00 0.53 0.00 0.00 43.42 43.36 1xm1 n LEU 155 CO 0.39 -1.48 -0.30 -1.10 -1.11 0.00 0.00 177.39 173.79 1xm1 s GLN 156 N -0.30 2.82 0.01 1.96 -1.52 -0.47 -1.36 119.66 120.80 1xm1 s GLN 156 Ca 0.76 -0.63 0.03 0.00 -1.95 0.00 0.00 55.36 53.57 1xm1 s GLN 156 Cb -0.92 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 29.16 1xm1 s GLN 156 CO 0.53 0.61 -0.11 0.54 -0.25 0.00 0.00 175.29 176.61 1xm1 s VAL 157 N -1.19 0.84 -0.13 1.09 0.11 0.47 -1.61 120.40 119.98 1xm1 s VAL 157 Ca 0.23 -0.63 -0.09 0.00 -2.93 0.00 0.00 61.98 58.56 1xm1 s VAL 157 Cb -0.12 -0.73 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1xm1 s VAL 157 CO 0.14 0.11 0.32 0.54 -3.33 0.00 0.00 175.10 172.88 1xm1 s VAL 158 N -0.49 -0.02 -0.13 2.04 0.11 -0.34 -1.44 120.40 120.12 1xm1 s VAL 158 Ca 0.02 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1xm1 s VAL 158 Cb -0.05 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1xm1 s VAL 158 CO 0.00 0.03 0.41 0.20 -3.33 0.00 0.00 175.10 172.41 1xm1 s ASN 159 N 0.82 6.60 0.04 3.54 0.01 -1.26 -0.31 114.94 124.38 1xm1 s ASN 159 Ca -0.05 0.71 0.03 0.00 -0.71 0.00 0.00 52.86 52.84 1xm1 s ASN 159 Cb -0.06 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 1xm1 s ASN 159 CO -0.06 0.04 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.71 1xm1 s LEU 160 N 0.54 2.20 0.06 0.60 1.43 0.12 -4.93 118.68 118.71 1xm1 s LEU 160 Ca 0.23 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.62 1xm1 s LEU 160 Cb -0.14 -0.35 -0.06 0.00 0.03 0.00 0.00 46.19 45.66 1xm1 s LEU 160 CO 0.08 -0.08 0.72 -2.16 0.23 0.00 0.00 176.35 175.14 1xm1 s PRO 161 N -1.26 4.45 0.40 1.29 0.04 -1.26 -0.15 135.00 138.50 1xm1 s PRO 161 Ca -0.04 0.99 -0.27 0.00 0.04 0.00 0.00 61.00 61.73 1xm1 s PRO 161 Cb -0.08 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 1xm1 s PRO 161 CO 0.01 0.39 1.37 0.42 0.04 0.00 0.00 177.00 179.22 1xm1 s ILE 162 N -0.39 2.40 0.07 0.56 1.01 -0.56 -0.39 121.20 123.92 1xm1 s ILE 162 Ca 0.36 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.45 1xm1 s ILE 162 Cb -0.20 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1xm1 s ILE 162 CO 0.22 0.07 -0.09 -0.69 0.00 0.00 0.00 174.94 174.44 1xm1 s VAL 163 N -1.20 3.41 -0.03 2.92 1.01 0.54 -1.38 120.40 125.67 1xm1 s VAL 163 Ca 0.56 -1.13 -0.36 0.00 0.00 0.00 0.00 61.98 61.05 1xm1 s VAL 163 Cb -0.41 -2.56 -0.14 0.00 0.00 0.00 0.00 36.38 33.27 1xm1 s VAL 163 CO 0.54 0.20 1.68 -0.62 0.00 0.00 0.00 175.10 176.90 1xm1 n GLU 164 N 0.98 1.76 -0.32 2.72 4.71 -1.26 -4.57 120.64 124.66 1xm1 n GLU 164 Ca -0.14 0.64 0.14 0.00 -0.01 0.00 0.00 57.16 57.79 1xm1 n GLU 164 Cb 0.52 -2.40 0.29 0.00 -1.01 0.00 0.00 31.44 28.84 1xm1 n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1xm1 h ARG 165 N 7.10 0.05 -0.74 3.49 2.43 -1.97 0.96 114.38 125.70 1xm1 h ARG 165 Ca -0.47 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1xm1 h ARG 165 Cb 1.29 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 1xm1 h ARG 165 CO 0.90 0.04 0.47 -1.35 -1.51 0.00 0.00 179.97 178.52 1xm1 h PRO 166 N 0.06 0.90 -0.58 0.20 0.11 -2.00 -0.98 132.00 129.71 1xm1 h PRO 166 Ca 0.58 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.59 1xm1 h PRO 166 Cb 1.19 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1xm1 h PRO 166 CO -0.84 0.59 0.20 0.28 -0.21 0.00 0.00 178.00 178.03 1xm1 h VAL 167 N 0.93 1.24 -0.15 3.15 2.07 -1.23 -0.26 116.25 122.00 1xm1 h VAL 167 Ca 0.29 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1xm1 h VAL 167 Cb -0.01 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1xm1 h VAL 167 CO -0.10 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.68 1xm1 h LYS 169 N -0.11 1.01 0.00 0.00 1.57 -1.00 -2.50 116.57 115.53 1xm1 h LYS 169 Ca 0.09 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xm1 h LYS 169 Cb 0.25 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1xm1 h LYS 169 CO -0.22 0.71 0.00 -0.25 -0.57 0.00 0.00 179.45 179.12 1xm1 n ASP 170 N -4.51 0.01 -0.29 0.86 10.43 -0.13 -2.88 116.55 120.04 1xm1 n ASP 170 Ca 0.07 0.50 0.14 0.00 2.57 0.00 0.00 54.79 58.07 1xm1 n ASP 170 Cb 0.05 -0.51 0.47 0.00 1.84 0.00 0.00 41.12 42.98 1xm1 n ASP 170 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1xm1 n SER 171 N -1.51 1.06 -3.87 -2.24 3.41 -0.90 -4.96 113.62 104.60 1xm1 n SER 171 Ca 0.04 -1.03 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 1xm1 n SER 171 Cb 0.18 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1xm1 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xm1 s THR 172 N -2.33 0.04 -0.56 6.66 -1.32 -1.14 -4.82 115.64 112.16 1xm1 s THR 172 Ca 0.30 -1.13 0.22 0.00 -1.21 0.00 0.00 61.69 59.87 1xm1 s THR 172 Cb 0.20 -1.80 -0.19 0.00 -1.51 0.00 0.00 72.50 69.20 1xm1 s THR 172 CO 0.45 -0.17 0.87 0.54 -2.21 0.00 0.00 174.62 174.11 1xm1 n ARG 173 N -0.30 0.31 -2.16 7.08 1.74 -1.26 -4.93 116.66 117.14 1xm1 n ARG 173 Ca -0.07 -0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.56 1xm1 n ARG 173 Cb 0.62 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 1xm1 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xm1 s ILE 174 N -3.23 2.84 -0.33 0.55 1.01 -1.26 -4.97 121.20 115.81 1xm1 s ILE 174 Ca 0.02 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 61.17 1xm1 s ILE 174 Cb 0.15 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 1xm1 s ILE 174 CO 0.84 0.15 1.42 -0.60 0.00 0.00 0.00 174.94 176.75 1xm1 s ARG 175 N -1.98 3.73 -0.05 2.79 3.52 -1.26 -5.01 118.95 120.70 1xm1 s ARG 175 Ca 0.52 1.19 -0.27 0.00 -0.13 0.00 0.00 55.73 57.04 1xm1 s ARG 175 Cb -0.37 -3.98 -0.03 0.00 -1.56 0.00 0.00 34.95 29.02 1xm1 s ARG 175 CO 0.48 -1.36 0.88 0.42 -0.81 0.00 0.00 175.30 174.91 1xm1 s ILE 176 N 5.04 4.92 0.47 4.11 -1.09 -1.26 -4.87 121.20 128.52 1xm1 s ILE 176 Ca 0.62 1.81 0.07 0.00 -2.23 0.00 0.00 60.65 60.92 1xm1 s ILE 176 Cb -0.17 -4.21 0.01 0.00 -1.58 0.00 0.00 42.46 36.51 1xm1 s ILE 176 CO 0.28 0.16 0.46 0.42 -1.23 0.00 0.00 174.94 175.03 1xm1 s THR 177 N 1.17 2.35 -0.85 2.92 -4.23 -1.26 -5.00 115.64 110.73 1xm1 s THR 177 Ca 0.45 -1.31 0.19 0.00 -1.18 0.00 0.00 61.69 59.85 1xm1 s THR 177 Cb -0.19 -2.65 0.18 0.00 1.34 0.00 0.00 72.50 71.17 1xm1 s THR 177 CO 0.22 0.00 1.60 0.47 -0.54 0.00 0.00 174.62 176.37 1xm1 n ASP 178 N -1.73 0.22 -0.57 3.99 10.43 -1.26 -2.46 116.55 125.17 1xm1 n ASP 178 Ca 0.04 0.55 0.03 0.00 2.57 0.00 0.00 54.79 57.99 1xm1 n ASP 178 Cb 0.62 -0.60 0.11 0.00 1.84 0.00 0.00 41.12 43.10 1xm1 n ASP 178 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1xm1 n ASN 179 N -1.73 1.59 -3.96 -2.24 3.02 -1.26 -4.84 115.26 105.84 1xm1 n ASN 179 Ca 0.04 -2.08 -0.09 0.00 -0.03 0.00 0.00 54.58 52.42 1xm1 n ASN 179 Cb 0.22 -0.26 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 1xm1 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xm1 s MET 180 N -1.65 0.54 0.09 3.52 0.23 -1.03 0.10 119.30 121.09 1xm1 s MET 180 Ca 0.16 -0.78 -0.00 0.00 -1.03 0.00 0.00 55.69 54.04 1xm1 s MET 180 Cb 0.10 0.20 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1xm1 s MET 180 CO 0.09 -0.12 -0.02 -0.59 -2.03 0.00 0.00 175.02 172.35 1xm1 s PHE 181 N -2.54 0.75 0.16 3.16 -0.12 -0.76 -4.81 117.98 113.82 1xm1 s PHE 181 Ca -0.06 -1.06 0.10 0.00 -0.05 0.00 0.00 56.93 55.86 1xm1 s PHE 181 Cb -0.02 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 1xm1 s PHE 181 CO -0.04 -0.34 -0.23 0.00 -0.05 0.00 0.00 175.22 174.56 1xm1 s ALA 183 N -1.54 0.26 0.00 0.00 0.00 0.55 -0.34 121.76 120.69 1xm1 s ALA 183 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1xm1 s ALA 183 Cb -0.08 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1xm1 s ALA 183 CO 0.07 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1xm1 n GLY 184 N 0.81 3.27 3.85 0.00 0.00 0.48 -1.97 105.19 111.63 1xm1 n GLY 184 Ca -0.19 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 1xm1 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xm1 s TYR 184 N -2.00 3.42 0.52 1.61 1.51 -1.26 -4.43 117.35 116.71 1xm1 s TYR 184 Ca 0.00 1.22 -0.10 0.00 -1.01 0.00 0.00 57.07 57.19 1xm1 s TYR 184 Cb 0.00 -2.53 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 1xm1 s TYR 184 CO 0.00 0.15 0.89 0.15 -1.11 0.00 0.00 175.55 175.62 1xm1 s LYS 185 N -2.81 3.66 0.39 -0.62 1.02 -1.26 -4.82 119.74 115.30 1xm1 s LYS 185 Ca 0.52 0.53 0.12 0.00 0.02 0.00 0.00 55.97 57.15 1xm1 s LYS 185 Cb -0.11 -2.25 0.92 0.00 -0.52 0.00 0.00 37.83 35.87 1xm1 s LYS 185 CO 0.18 -0.30 1.91 -1.35 -0.92 0.00 0.00 175.35 174.87 1xm1 h PRO 186 N 0.33 0.55 0.00 -1.68 0.11 -1.95 -1.92 132.00 127.43 1xm1 h PRO 186 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xm1 h PRO 186 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xm1 h PRO 186 CO 0.62 0.36 0.00 0.38 -0.21 0.00 0.00 178.00 179.15 1xm1 h ASP 186 N 0.56 0.00 0.97 -2.05 3.04 -1.97 -3.17 116.42 113.80 1xm1 h ASP 186 Ca 0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.17 1xm1 h ASP 186 Cb 0.70 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.99 1xm1 h ASP 186 CO -0.14 0.00 -0.10 -0.62 -2.04 0.00 0.00 179.24 176.34 1xm1 n GLU 186 N -2.64 0.04 0.00 4.15 1.02 -0.72 -4.95 120.64 117.54 1xm1 n GLU 186 Ca 0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1xm1 n GLU 186 Cb 0.23 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1xm1 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm1 n GLY 186 N 1.47 1.14 3.81 0.62 0.00 -1.20 -4.96 105.19 106.08 1xm1 n GLY 186 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1xm1 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xm1 s LYS 186 N 0.00 4.09 0.00 1.61 1.02 -1.26 -5.07 119.74 120.13 1xm1 s LYS 186 Ca 0.00 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.18 1xm1 s LYS 186 Cb 0.00 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1xm1 s LYS 186 CO 0.00 -0.16 0.00 0.54 -0.92 0.00 0.00 175.35 174.81 1xm1 n ARG 187 N -0.76 3.09 0.00 1.68 1.74 -1.26 -4.67 116.66 116.49 1xm1 n ARG 187 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1xm1 n ARG 187 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1xm1 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xm1 n GLY 188 N 4.90 3.57 3.62 -0.13 0.00 -1.25 -4.84 105.19 111.05 1xm1 n GLY 188 Ca 0.00 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 1xm1 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xm1 s ASP 189 N 0.00 -0.08 0.88 1.61 3.68 -0.91 -4.64 116.67 117.21 1xm1 s ASP 189 Ca 0.00 -0.11 -0.13 0.00 2.13 0.00 0.00 52.55 54.45 1xm1 s ASP 189 Cb 0.00 0.17 0.15 0.00 -1.45 0.00 0.00 42.92 41.79 1xm1 s ASP 189 CO 0.00 -0.30 1.23 0.00 0.13 0.00 0.00 175.17 176.23 1xm1 s ALA 190 N -2.45 2.57 0.24 3.66 0.00 -1.26 0.40 121.76 124.91 1xm1 s ALA 190 Ca 0.13 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1xm1 s ALA 190 Cb 0.03 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.46 1xm1 s ALA 190 CO -0.04 -2.05 0.47 0.00 0.00 0.00 0.00 175.76 174.13 1xm1 n GLU 192 N -0.32 1.18 0.00 0.00 2.13 -1.26 -0.86 120.64 121.51 1xm1 n GLU 192 Ca -0.05 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1xm1 n GLU 192 Cb 0.36 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1xm1 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xm1 n GLY 193 N 2.94 2.05 0.11 8.31 0.00 -1.26 0.05 105.19 117.39 1xm1 n GLY 193 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1xm1 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xm1 h ASP 194 N 0.00 0.00 -3.78 1.61 3.45 -1.34 -3.33 116.42 113.03 1xm1 h ASP 194 Ca 0.00 -0.03 -0.56 0.00 0.43 0.00 0.00 57.03 56.87 1xm1 h ASP 194 Cb 0.00 0.00 0.17 0.00 -0.56 0.00 0.00 39.33 38.94 1xm1 h ASP 194 CO 0.00 0.01 0.24 -1.54 -1.57 0.00 0.00 179.24 176.38 1xm1 n SER 195 N -2.63 1.09 0.00 6.45 3.41 -1.26 -1.91 113.62 118.78 1xm1 n SER 195 Ca 0.00 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1xm1 n SER 195 Cb 0.54 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1xm1 n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xm1 n GLY 196 N 1.15 2.25 3.78 5.00 0.00 -0.76 -0.15 105.19 116.46 1xm1 n GLY 196 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1xm1 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xm1 s GLY 197 N -1.94 1.61 0.05 -0.02 0.00 -0.80 -2.96 107.32 103.26 1xm1 s GLY 197 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 44.72 44.29 1xm1 s GLY 197 CO 0.00 0.23 0.56 2.56 0.00 0.00 0.00 173.10 176.45 1xm1 s PRO 198 N -5.12 4.20 -0.40 2.90 0.04 -1.26 -0.86 135.00 134.50 1xm1 s PRO 198 Ca 0.62 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 1xm1 s PRO 198 Cb -0.15 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1xm1 s PRO 198 CO 0.55 0.59 0.22 0.12 0.04 0.00 0.00 177.00 178.52 1xm1 s PHE 199 N -0.92 3.31 0.32 0.56 5.36 0.60 -3.69 117.98 123.52 1xm1 s PHE 199 Ca 0.29 -1.41 0.08 0.00 -0.96 0.00 0.00 56.93 54.93 1xm1 s PHE 199 Cb -0.19 -2.75 -0.04 0.00 -0.34 0.00 0.00 43.02 39.70 1xm1 s PHE 199 CO 0.18 -0.79 0.11 0.14 -1.46 0.00 0.00 175.22 173.40 1xm1 s VAL 200 N 1.44 3.18 0.01 3.12 -7.23 0.65 -1.19 120.40 120.38 1xm1 s VAL 200 Ca 0.02 -1.74 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1xm1 s VAL 200 Cb -0.22 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 1xm1 s VAL 200 CO 0.03 -0.24 -0.01 -0.04 -0.31 0.00 0.00 175.10 174.54 1xm1 s MET 201 N -3.80 0.15 -0.39 4.82 -1.94 0.26 0.84 119.30 119.23 1xm1 s MET 201 Ca 0.36 -0.27 -0.16 0.00 -1.71 0.00 0.00 55.69 53.91 1xm1 s MET 201 Cb -0.04 0.05 0.01 0.00 2.01 0.00 0.00 34.83 36.87 1xm1 s MET 201 CO 0.22 -0.02 0.36 0.21 -0.01 0.00 0.00 175.02 175.77 1xm1 s LYS 202 N -0.67 3.22 0.12 2.03 2.20 -1.26 -0.00 119.74 125.38 1xm1 s LYS 202 Ca -0.07 -0.73 -0.32 0.00 -0.36 0.00 0.00 55.97 54.48 1xm1 s LYS 202 Cb -0.05 -3.91 -0.11 0.00 -1.51 0.00 0.00 37.83 32.25 1xm1 s LYS 202 CO -0.00 -0.70 1.79 0.45 -0.36 0.00 0.00 175.35 176.53 1xm1 n SER 203 N 5.37 3.85 -0.01 1.43 2.88 0.61 -4.85 113.62 122.89 1xm1 n SER 203 Ca -0.09 1.01 0.14 0.00 -1.33 0.00 0.00 58.87 58.60 1xm1 n SER 203 Cb 0.48 -1.52 0.62 0.00 -0.75 0.00 0.00 64.21 63.05 1xm1 n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xm1 n PRO 204 N 5.21 0.21 0.11 -1.46 -0.04 -1.26 -0.55 135.00 137.22 1xm1 n PRO 204 Ca 0.18 -0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.44 1xm1 n PRO 204 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1xm1 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1xm1 h PHE 204 N 0.07 0.58 0.00 0.54 0.04 -1.96 -3.39 116.94 112.82 1xm1 h PHE 204 Ca 0.00 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1xm1 h PHE 204 Cb 0.42 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1xm1 h PHE 204 CO 0.00 1.34 0.00 0.27 -0.60 0.00 0.00 178.31 179.32 1xm1 n ASN 204 N -3.56 0.52 -2.72 2.17 2.04 -1.24 -5.02 115.26 107.44 1xm1 n ASN 204 Ca -0.10 -1.21 -0.21 0.00 -0.44 0.00 0.00 54.58 52.62 1xm1 n ASN 204 Cb 1.04 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 38.30 1xm1 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xm1 n ASN 205 N -0.10 -5.62 -4.63 0.53 4.13 0.29 -5.00 115.26 104.86 1xm1 n ASN 205 Ca 0.00 -0.13 -0.31 0.00 1.68 0.00 0.00 54.58 55.82 1xm1 n ASN 205 Cb 0.34 -4.62 -0.09 0.00 -1.54 0.00 0.00 39.78 33.87 1xm1 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1xm1 s ARG 206 N -5.38 2.46 -0.04 3.52 0.52 -1.22 -4.85 118.95 113.96 1xm1 s ARG 206 Ca 0.15 -0.83 -0.25 0.00 -0.52 0.00 0.00 55.73 54.28 1xm1 s ARG 206 Cb -0.07 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 1xm1 s ARG 206 CO 0.19 0.56 0.76 -1.58 0.02 0.00 0.00 175.30 175.24 1xm1 s TRP 207 N -1.16 3.61 -0.05 -0.53 0.52 -0.60 -0.28 118.94 120.44 1xm1 s TRP 207 Ca 0.21 1.36 0.07 0.00 0.02 0.00 0.00 56.10 57.75 1xm1 s TRP 207 Cb -0.11 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.33 1xm1 s TRP 207 CO 0.13 0.09 -0.25 0.71 0.02 0.00 0.00 176.95 177.65 1xm1 s TYR 208 N 0.73 2.41 -0.58 -1.98 2.02 1.00 -2.13 117.35 118.81 1xm1 s TYR 208 Ca 0.40 -0.66 -0.22 0.00 -0.37 0.00 0.00 57.07 56.22 1xm1 s TYR 208 Cb -0.19 -1.57 0.06 0.00 -0.40 0.00 0.00 41.96 39.86 1xm1 s TYR 208 CO 0.20 -0.17 0.87 -1.14 -1.57 0.00 0.00 175.55 173.74 1xm1 s GLN 209 N -0.27 3.19 0.04 -0.62 0.74 -0.46 -0.58 119.66 121.71 1xm1 s GLN 209 Ca -0.00 -0.66 0.11 0.00 0.05 0.00 0.00 55.36 54.85 1xm1 s GLN 209 Cb -0.13 -4.14 -0.21 0.00 1.10 0.00 0.00 33.01 29.64 1xm1 s GLN 209 CO 0.03 -1.55 0.96 0.52 -0.55 0.00 0.00 175.29 174.69 1xm1 h MET 210 N 9.33 0.00 -4.44 1.67 2.86 -1.49 -3.39 114.93 119.46 1xm1 h MET 210 Ca -0.28 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.16 1xm1 h MET 210 Cb 1.08 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.59 1xm1 h MET 210 CO 1.10 0.70 -0.60 0.20 1.06 0.00 0.00 176.91 179.37 1xm1 s GLY 211 N -4.90 1.15 -0.09 8.32 0.00 -0.87 -1.76 107.32 109.17 1xm1 s GLY 211 Ca -0.02 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.21 1xm1 s GLY 211 CO 0.82 -1.32 -0.19 -0.42 0.00 0.00 0.00 173.10 171.98 1xm1 s ILE 212 N -4.09 1.71 -0.24 0.90 1.01 -0.93 -0.29 121.20 119.26 1xm1 s ILE 212 Ca 0.31 -0.81 -0.32 0.00 0.00 0.00 0.00 60.65 59.82 1xm1 s ILE 212 Cb 0.07 -1.51 -0.09 0.00 0.01 0.00 0.00 42.46 40.94 1xm1 s ILE 212 CO 0.07 0.48 2.14 0.52 0.00 0.00 0.00 174.94 178.15 1xm1 n VAL 213 N 3.70 0.33 -0.01 2.92 0.31 -0.04 -0.27 118.33 125.28 1xm1 n VAL 213 Ca -0.20 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 63.80 1xm1 n VAL 213 Cb 0.52 -2.05 -0.01 0.00 -0.91 0.00 0.00 33.84 31.39 1xm1 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1xm1 n SER 214 N 9.94 0.61 -3.69 4.52 2.88 -0.32 -1.82 113.62 125.75 1xm1 n SER 214 Ca 0.33 0.10 -0.08 0.00 -1.33 0.00 0.00 58.87 57.89 1xm1 n SER 214 Cb 0.33 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.37 1xm1 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1xm1 s TRP 215 N -1.59 -0.28 0.24 0.66 1.48 -0.79 -4.93 118.94 113.73 1xm1 s TRP 215 Ca -0.07 -0.05 -0.09 0.00 -1.06 0.00 0.00 56.10 54.84 1xm1 s TRP 215 Cb 0.01 0.64 0.03 0.00 -1.16 0.00 0.00 33.47 32.99 1xm1 s TRP 215 CO 0.10 -0.97 0.48 0.41 -4.06 0.00 0.00 176.95 172.90 1xm1 n GLY 216 N -0.42 1.45 2.69 3.67 0.00 -1.26 -0.34 105.19 110.98 1xm1 n GLY 216 Ca -0.08 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 1xm1 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xm1 s GLU 217 N -2.09 1.62 0.00 1.61 2.02 -1.26 -5.03 118.70 115.57 1xm1 s GLU 217 Ca 0.10 -2.54 0.00 0.00 0.02 0.00 0.00 54.97 52.56 1xm1 s GLU 217 Cb -0.03 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.71 1xm1 s GLU 217 CO 0.08 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.50 1xm1 n GLY 219 N 2.76 0.85 3.30 -1.39 0.00 -1.26 -4.84 105.19 104.61 1xm1 n GLY 219 Ca 0.19 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 1xm1 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm1 n ASP 221 N 4.64 -3.32 -4.84 0.00 2.03 -1.26 -4.51 116.55 109.28 1xm1 n ASP 221 Ca -0.18 -0.53 -0.38 0.00 0.52 0.00 0.00 54.79 54.22 1xm1 n ASP 221 Cb 0.51 -4.60 -0.06 0.00 -0.72 0.00 0.00 41.12 36.25 1xm1 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xm1 s ARG 221 N -5.53 3.79 0.41 -0.67 0.52 -1.26 -4.94 118.95 111.27 1xm1 s ARG 221 Ca 0.17 0.21 -0.27 0.00 -0.52 0.00 0.00 55.73 55.33 1xm1 s ARG 221 Cb -0.08 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.07 1xm1 s ARG 221 CO 0.65 0.68 1.43 -0.51 0.02 0.00 0.00 175.30 177.57 1xm1 s ASP 222 N -0.92 6.13 0.00 0.23 -0.00 -1.26 -1.90 116.67 118.95 1xm1 s ASP 222 Ca 0.20 2.93 0.00 0.00 -0.00 0.00 0.00 52.55 55.68 1xm1 s ASP 222 Cb -0.15 -2.66 0.00 0.00 -0.00 0.00 0.00 42.92 40.11 1xm1 s ASP 222 CO 0.09 -1.00 0.00 0.61 -0.00 0.00 0.00 175.17 174.87 1xm1 n GLY 223 N 0.56 0.66 3.50 0.21 0.00 -1.26 -4.99 105.19 103.87 1xm1 n GLY 223 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1xm1 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xm1 s LYS 224 N -0.32 1.73 0.10 1.61 -0.14 -0.80 -4.75 119.74 117.16 1xm1 s LYS 224 Ca 0.00 -1.82 -0.05 0.00 -1.36 0.00 0.00 55.97 52.74 1xm1 s LYS 224 Cb 0.00 -1.75 -0.02 0.00 -1.68 0.00 0.00 37.83 34.38 1xm1 s LYS 224 CO 0.00 0.27 0.11 0.71 -0.76 0.00 0.00 175.35 175.68 1xm1 s TYR 225 N -2.54 0.43 0.15 3.18 1.51 -1.26 -4.73 117.35 114.09 1xm1 s TYR 225 Ca 0.31 -0.88 -0.20 0.00 -1.01 0.00 0.00 57.07 55.29 1xm1 s TYR 225 Cb -0.03 -0.24 -0.07 0.00 -0.11 0.00 0.00 41.96 41.51 1xm1 s TYR 225 CO 0.16 -0.51 0.66 0.20 -1.11 0.00 0.00 175.55 174.94 1xm1 s GLY 226 N -2.93 2.67 -0.09 0.71 0.00 -0.83 -4.60 107.32 102.24 1xm1 s GLY 226 Ca 0.11 0.12 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 1xm1 s GLY 226 CO -0.07 0.51 -0.05 -1.36 0.00 0.00 0.00 173.10 172.13 1xm1 s PHE 227 N -1.32 2.99 0.06 1.90 0.40 0.53 -0.33 117.98 122.21 1xm1 s PHE 227 Ca 0.36 -0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.71 1xm1 s PHE 227 Cb -0.18 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 1xm1 s PHE 227 CO 0.21 0.25 -0.19 0.71 0.70 0.00 0.00 175.22 176.90 1xm1 s TYR 228 N -0.50 1.65 0.09 0.36 1.51 0.27 -1.18 117.35 119.55 1xm1 s TYR 228 Ca 0.08 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.44 1xm1 s TYR 228 Cb -0.12 -0.96 -0.07 0.00 -0.11 0.00 0.00 41.96 40.70 1xm1 s TYR 228 CO 0.02 0.11 1.38 0.99 -1.11 0.00 0.00 175.55 176.94 1xm1 s THR 229 N -0.93 3.43 -0.99 -0.71 2.01 0.63 -1.82 115.64 117.26 1xm1 s THR 229 Ca 0.05 1.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.82 1xm1 s THR 229 Cb -0.09 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.79 1xm1 s THR 229 CO 0.02 0.06 1.69 -2.28 -0.69 0.00 0.00 174.62 173.42 1xm1 s HIS 230 N 1.33 2.22 0.23 4.92 2.46 0.11 -2.19 115.29 124.38 1xm1 s HIS 230 Ca 0.64 -0.21 -0.07 0.00 0.47 0.00 0.00 55.06 55.89 1xm1 s HIS 230 Cb -0.35 -4.40 0.39 0.00 -0.13 0.00 0.00 32.58 28.09 1xm1 s HIS 230 CO 0.30 -1.83 1.67 0.28 -2.47 0.00 0.00 174.74 172.69 1xm1 h VAL 231 N 6.93 0.49 -0.80 0.89 2.07 -1.65 -2.19 116.25 121.99 1xm1 h VAL 231 Ca 0.17 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1xm1 h VAL 231 Cb 1.00 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1xm1 h VAL 231 CO 1.33 0.04 0.51 0.15 0.02 0.00 0.00 177.57 179.62 1xm1 h PHE 232 N 0.19 1.02 -0.00 1.57 3.57 -1.87 -1.74 116.94 119.68 1xm1 h PHE 232 Ca 0.38 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.89 1xm1 h PHE 232 Cb 0.64 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1xm1 h PHE 232 CO -0.32 0.66 0.01 0.00 -2.23 0.00 0.00 178.31 176.43 1xm1 h ARG 233 N 1.09 0.00 -0.43 1.11 2.47 -1.76 -1.40 114.38 115.46 1xm1 h ARG 233 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 1xm1 h ARG 233 Cb -0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1xm1 h ARG 233 CO -0.06 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.75 1xm1 n LEU 234 N -3.29 3.50 0.05 3.04 4.32 -0.71 -4.65 117.00 119.26 1xm1 n LEU 234 Ca -0.03 -2.24 0.01 0.00 -0.02 0.00 0.00 56.01 53.73 1xm1 n LEU 234 Cb 0.08 -0.37 0.33 0.00 -1.62 0.00 0.00 43.42 41.83 1xm1 n LEU 234 CO 0.22 0.77 0.90 0.50 -1.22 0.00 0.00 177.39 178.56 1xm1 h LYS 235 N 2.59 0.41 -0.33 3.23 3.64 -0.70 -2.18 116.57 123.23 1xm1 h LYS 235 Ca 0.00 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1xm1 h LYS 235 Cb 0.99 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1xm1 h LYS 235 CO 0.07 0.50 0.18 0.87 -2.27 0.00 0.00 179.45 178.80 1xm1 h LYS 236 N 0.39 0.37 -0.54 1.90 1.57 -1.83 0.18 116.57 118.61 1xm1 h LYS 236 Ca 0.08 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1xm1 h LYS 236 Cb 0.37 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1xm1 h LYS 236 CO 0.02 0.24 0.29 2.35 -0.57 0.00 0.00 179.45 181.78 1xm1 h TRP 237 N 0.38 0.55 -0.13 -1.35 7.01 -1.80 -0.11 115.95 120.50 1xm1 h TRP 237 Ca 0.13 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.18 1xm1 h TRP 237 Cb 0.02 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 1xm1 h TRP 237 CO -0.08 0.28 -0.06 0.82 -2.79 0.00 0.00 178.44 176.61 1xm1 h ILE 238 N 0.57 0.80 0.30 2.65 2.04 -0.84 -1.40 117.51 121.64 1xm1 h ILE 238 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.09 1xm1 h ILE 238 Cb 0.10 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1xm1 h ILE 238 CO -0.14 0.00 -0.40 -0.61 0.00 0.00 0.00 178.15 177.00 1xm1 h GLN 239 N -0.05 -0.73 -0.49 2.37 5.75 -0.11 -0.81 115.11 121.05 1xm1 h GLN 239 Ca 0.07 0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.71 1xm1 h GLN 239 Cb 0.15 0.17 -0.10 0.00 1.07 0.00 0.00 27.48 28.77 1xm1 h GLN 239 CO -0.16 -0.48 -0.35 -0.22 -2.65 0.00 0.00 178.83 174.96 1xm1 h LYS 240 N -0.75 -0.22 -0.34 1.69 3.64 -0.89 0.69 116.57 120.39 1xm1 h LYS 240 Ca -0.01 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1xm1 h LYS 240 Cb 0.71 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.52 1xm1 h LYS 240 CO -0.13 -0.15 -0.01 0.28 -2.27 0.00 0.00 179.45 177.18 1xm1 h VAL 241 N -0.23 0.74 -0.56 2.00 2.07 -0.94 0.93 116.25 120.26 1xm1 h VAL 241 Ca 0.19 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.59 1xm1 h VAL 241 Cb 0.55 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1xm1 h VAL 241 CO -0.61 0.02 0.01 0.40 0.02 0.00 0.00 177.57 177.40 1xm1 h ILE 242 N 0.09 1.26 -0.30 4.57 2.04 -0.18 -1.21 117.51 123.79 1xm1 h ILE 242 Ca 0.16 -1.11 -0.16 0.00 1.00 0.00 0.00 64.86 64.75 1xm1 h ILE 242 Cb 0.23 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xm1 h ILE 242 CO -0.28 0.40 -0.47 0.44 0.00 0.00 0.00 178.15 178.24 1xm1 h ASP 243 N 0.87 0.86 0.72 1.72 3.45 0.86 -3.21 116.42 121.68 1xm1 h ASP 243 Ca 0.16 -0.42 -0.14 0.00 0.43 0.00 0.00 57.03 57.06 1xm1 h ASP 243 Cb 0.53 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 1xm1 h ASP 243 CO 0.03 1.18 -0.67 -0.61 -1.57 0.00 0.00 179.24 177.60 1xm1 h GLN 244 N 0.63 0.00 0.00 3.56 4.15 0.93 -3.50 115.11 120.88 1xm1 h GLN 244 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1xm1 h GLN 244 Cb 1.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1xm1 h GLN 244 CO 0.10 0.67 0.00 1.19 -1.93 0.00 0.00 178.83 178.87