#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xis n TYR 3 N 0.00 -2.29 -3.32 1.20 4.01 -1.26 -4.97 117.16 110.53 1xis n TYR 3 Ca 0.00 0.94 -0.39 0.00 -0.16 0.00 0.00 57.90 58.29 1xis n TYR 3 Cb 0.00 -4.92 -0.07 0.00 -0.31 0.00 0.00 39.34 34.04 1xis n TYR 3 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1xis s GLN 4 N -5.70 4.16 0.62 -0.72 2.00 -1.26 -4.68 119.66 114.08 1xis s GLN 4 Ca 0.14 0.28 -0.13 0.00 -2.00 0.00 0.00 55.36 53.65 1xis s GLN 4 Cb -0.07 -3.57 -0.03 0.00 0.80 0.00 0.00 33.01 30.14 1xis s GLN 4 CO 0.75 -0.13 1.03 -1.25 -0.50 0.00 0.00 175.29 175.19 1xis s PRO 5 N 1.59 3.42 0.06 1.67 0.04 -1.26 -5.07 135.00 135.45 1xis s PRO 5 Ca 0.21 0.92 -0.00 0.00 0.04 0.00 0.00 61.00 62.17 1xis s PRO 5 Cb -0.15 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1xis s PRO 5 CO 0.09 -0.71 -0.04 0.95 0.04 0.00 0.00 177.00 177.32 1xis s THR 6 N -2.92 0.36 0.56 1.26 -4.23 -1.25 -4.63 115.64 104.79 1xis s THR 6 Ca 0.58 -1.75 0.36 0.00 -1.18 0.00 0.00 61.69 59.70 1xis s THR 6 Cb -0.12 -1.43 0.52 0.00 1.34 0.00 0.00 72.50 72.81 1xis s THR 6 CO 0.47 -0.90 1.73 -0.65 -0.54 0.00 0.00 174.62 174.73 1xis h PRO 7 N 3.27 0.00 0.00 3.99 0.11 -1.79 0.23 132.00 137.80 1xis h PRO 7 Ca -0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1xis h PRO 7 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xis h PRO 7 CO 0.63 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.32 1xis h GLU 8 N 0.00 0.00 0.00 1.05 3.07 -1.95 -2.23 114.58 114.51 1xis h GLU 8 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1xis h GLU 8 Cb 2.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.24 1xis h GLU 8 CO -0.01 0.03 0.00 -0.25 -1.40 0.00 0.00 179.01 177.38 1xis n ASP 9 N -3.23 0.00 -2.85 1.42 8.00 0.79 -4.94 116.55 115.74 1xis n ASP 9 Ca -0.01 0.28 -0.21 0.00 0.71 0.00 0.00 54.79 55.57 1xis n ASP 9 Cb 0.19 -0.42 0.04 0.00 -0.02 0.00 0.00 41.12 40.91 1xis n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xis n ARG 10 N -1.42 -5.03 -2.65 -1.24 5.12 -0.84 -4.71 116.66 105.90 1xis n ARG 10 Ca 0.08 0.81 -0.42 0.00 -1.93 0.00 0.00 57.85 56.39 1xis n ARG 10 Cb 0.25 -5.51 -0.03 0.00 -1.16 0.00 0.00 32.46 26.01 1xis n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1xis s PHE 11 N -3.16 3.63 0.13 -1.55 0.08 -1.26 -1.06 117.98 114.79 1xis s PHE 11 Ca 0.33 1.63 0.04 0.00 0.12 0.00 0.00 56.93 59.05 1xis s PHE 11 Cb -0.14 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.09 1xis s PHE 11 CO 0.41 -0.25 -0.10 0.95 -0.10 0.00 0.00 175.22 176.12 1xis s THR 12 N 0.86 1.07 0.01 0.64 -4.23 -0.49 0.10 115.64 113.60 1xis s THR 12 Ca 0.53 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1xis s THR 12 Cb -0.23 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.92 1xis s THR 12 CO 0.29 -0.69 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.30 1xis s PHE 13 N -3.04 0.20 0.42 3.99 0.40 -1.07 -1.13 117.98 117.76 1xis s PHE 13 Ca 0.13 -0.21 -0.22 0.00 -0.60 0.00 0.00 56.93 56.02 1xis s PHE 13 Cb 0.01 -0.13 -0.10 0.00 0.51 0.00 0.00 43.02 43.31 1xis s PHE 13 CO 0.00 -0.07 1.00 0.20 0.70 0.00 0.00 175.22 177.06 1xis s GLY 14 N -0.59 2.58 0.45 4.36 0.00 -1.23 -1.44 107.32 111.45 1xis s GLY 14 Ca -0.05 0.56 0.14 0.00 0.00 0.00 0.00 44.72 45.37 1xis s GLY 14 CO -0.00 0.92 2.02 1.41 0.00 0.00 0.00 173.10 177.45 1xis h LEU 15 N 2.17 0.31 0.00 0.66 3.38 -1.40 -2.08 115.31 118.36 1xis h LEU 15 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1xis h LEU 15 Cb 1.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xis h LEU 15 CO 0.61 0.20 0.00 -2.67 0.09 0.00 0.00 178.44 176.67 1xis n TRP 16 N -4.47 0.00 0.00 1.13 2.14 -1.26 -2.30 117.44 112.68 1xis n TRP 16 Ca 0.07 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.64 1xis n TRP 16 Cb 0.30 -0.31 0.00 0.00 -0.81 0.00 0.00 31.31 30.49 1xis n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xis n THR 17 N -1.31 0.00 0.28 -1.67 -2.24 -0.78 -2.89 114.28 105.67 1xis n THR 17 Ca 0.09 0.35 0.15 0.00 -2.27 0.00 0.00 64.05 62.38 1xis n THR 17 Cb 0.18 -1.12 0.85 0.00 -2.10 0.00 0.00 70.33 68.13 1xis n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xis h VAL 18 N 0.00 0.45 -0.03 2.28 -1.51 -1.72 -2.15 116.25 113.57 1xis h VAL 18 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1xis h VAL 18 Cb 0.00 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1xis h VAL 18 CO 0.00 0.06 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 1xis n GLY 19 N -0.90 -0.52 3.69 5.19 0.00 -0.97 -4.90 105.19 106.77 1xis n GLY 19 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1xis n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xis s TRP 20 N -1.97 2.59 -1.09 1.61 -0.00 -0.81 -4.65 118.94 114.62 1xis s TRP 20 Ca 0.38 0.55 0.29 0.00 -0.00 0.00 0.00 56.10 57.32 1xis s TRP 20 Cb 0.19 -3.82 1.24 0.00 -0.00 0.00 0.00 33.47 31.08 1xis s TRP 20 CO 0.31 -3.19 1.92 1.04 -0.00 0.00 0.00 176.95 177.03 1xis n GLN 21 N 5.63 0.09 -0.12 5.86 6.02 -1.26 -4.90 117.38 128.69 1xis n GLN 21 Ca 0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1xis n GLN 21 Cb 0.42 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1xis n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xis n GLY 22 N 1.46 0.93 3.71 1.08 0.00 -1.26 -1.08 105.19 110.02 1xis n GLY 22 Ca 0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1xis n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xis s ARG 23 N -0.65 4.42 0.46 1.61 0.52 -1.26 -4.45 118.95 119.60 1xis s ARG 23 Ca 0.00 1.73 0.03 0.00 -0.52 0.00 0.00 55.73 56.97 1xis s ARG 23 Cb 0.00 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 1xis s ARG 23 CO 0.00 -0.29 0.09 0.16 0.02 0.00 0.00 175.30 175.28 1xis s ASP 24 N 1.18 3.33 0.64 0.23 1.47 -0.84 -4.99 116.67 117.68 1xis s ASP 24 Ca 0.58 -1.71 0.39 0.00 1.18 0.00 0.00 52.55 52.99 1xis s ASP 24 Cb -0.28 0.60 2.22 0.00 -0.34 0.00 0.00 42.92 45.12 1xis s ASP 24 CO 0.27 -0.95 2.33 1.55 0.68 0.00 0.00 175.17 179.06 1xis h PRO 25 N 1.58 0.00 -0.02 2.11 0.13 -2.02 -2.88 132.00 130.91 1xis h PRO 25 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xis h PRO 25 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1xis h PRO 25 CO 0.61 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.57 1xis n PHE 26 N -3.36 0.05 -3.47 1.56 3.72 -1.26 -5.08 117.46 109.63 1xis n PHE 26 Ca -0.03 -0.71 -0.10 0.00 -0.05 0.00 0.00 57.45 56.55 1xis n PHE 26 Cb 0.08 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.50 1xis n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xis s GLY 27 N -1.78 -0.54 0.72 1.37 0.00 -1.09 -5.17 107.32 100.83 1xis s GLY 27 Ca 0.15 0.79 -0.11 0.00 0.00 0.00 0.00 44.72 45.56 1xis s GLY 27 CO 0.02 0.28 1.09 0.99 0.00 0.00 0.00 173.10 175.48 1xis s ASP 28 N -2.56 5.20 0.42 1.64 1.01 -1.26 -1.99 116.67 119.13 1xis s ASP 28 Ca 0.03 0.95 -0.26 0.00 0.71 0.00 0.00 52.55 53.97 1xis s ASP 28 Cb -0.01 -1.69 -0.09 0.00 1.01 0.00 0.00 42.92 42.14 1xis s ASP 28 CO -0.10 -1.46 1.42 0.00 0.21 0.00 0.00 175.17 175.24 1xis s ALA 29 N -3.36 3.34 -1.02 5.23 0.00 -1.26 -4.34 121.76 120.35 1xis s ALA 29 Ca 0.59 1.45 0.13 0.00 0.00 0.00 0.00 51.96 54.12 1xis s ALA 29 Cb -0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1xis s ALA 29 CO 0.50 -1.08 0.68 0.25 0.00 0.00 0.00 175.76 176.11 1xis n THR 30 N 0.07 0.00 -4.17 0.00 -2.24 -0.25 -4.94 114.28 102.77 1xis n THR 30 Ca 0.04 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 1xis n THR 30 Cb 0.41 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 1xis n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xis s ARG 31 N -1.76 0.81 0.76 -0.78 0.52 -0.76 -5.01 118.95 112.74 1xis s ARG 31 Ca 0.09 -1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 1xis s ARG 31 Cb 0.10 -0.70 0.05 0.00 0.52 0.00 0.00 34.95 34.92 1xis s ARG 31 CO 0.37 0.14 1.09 -0.98 0.02 0.00 0.00 175.30 175.94 1xis s ARG 32 N -2.05 2.39 0.43 3.54 1.04 -1.26 -4.70 118.95 118.33 1xis s ARG 32 Ca -0.00 0.64 -0.23 0.00 -1.04 0.00 0.00 55.73 55.10 1xis s ARG 32 Cb -0.08 -1.95 -0.08 0.00 -2.04 0.00 0.00 34.95 30.79 1xis s ARG 32 CO 0.02 -1.41 1.09 0.00 -0.04 0.00 0.00 175.30 174.95 1xis s ALA 33 N -3.19 3.03 -0.11 7.88 0.00 -1.26 -4.86 121.76 123.25 1xis s ALA 33 Ca 0.60 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 1xis s ALA 33 Cb -0.14 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1xis s ALA 33 CO 0.54 -0.37 0.08 -1.17 0.00 0.00 0.00 175.76 174.84 1xis s LEU 34 N -2.85 4.06 0.18 0.00 2.96 -1.26 -5.08 118.68 116.69 1xis s LEU 34 Ca 0.61 0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 54.55 1xis s LEU 34 Cb -0.24 -1.97 -0.08 0.00 0.50 0.00 0.00 46.19 44.41 1xis s LEU 34 CO 0.29 0.39 1.06 -0.62 -1.32 0.00 0.00 176.35 176.15 1xis s ASP 35 N -0.92 7.34 0.38 3.68 2.15 -1.26 -4.92 116.67 123.13 1xis s ASP 35 Ca 0.14 2.03 0.14 0.00 0.43 0.00 0.00 52.55 55.29 1xis s ASP 35 Cb -0.12 -2.60 0.98 0.00 -0.30 0.00 0.00 42.92 40.88 1xis s ASP 35 CO 0.03 -0.15 1.82 -0.65 -0.17 0.00 0.00 175.17 176.05 1xis h PRO 36 N 5.02 0.51 -0.81 4.34 0.11 -1.98 0.57 132.00 139.77 1xis h PRO 36 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1xis h PRO 36 Cb 1.21 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1xis h PRO 36 CO 0.72 0.33 0.37 0.28 -0.21 0.00 0.00 178.00 179.49 1xis h VAL 37 N 0.52 1.25 -0.51 3.15 2.07 -1.92 -1.90 116.25 118.91 1xis h VAL 37 Ca 0.52 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1xis h VAL 37 Cb 1.13 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1xis h VAL 37 CO -0.25 0.31 -0.01 -0.08 0.02 0.00 0.00 177.57 177.56 1xis h GLU 38 N 1.15 0.92 -0.77 1.57 4.81 -1.28 -2.43 114.58 118.54 1xis h GLU 38 Ca 0.28 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1xis h GLU 38 Cb 0.13 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1xis h GLU 38 CO -0.03 0.94 0.43 0.77 -0.73 0.00 0.00 179.01 180.39 1xis h SER 39 N 0.78 0.96 -0.07 1.04 0.02 -1.15 -0.92 113.55 114.21 1xis h SER 39 Ca 0.14 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1xis h SER 39 Cb 0.54 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1xis h SER 39 CO 0.03 0.78 -0.00 0.58 -1.14 0.00 0.00 176.83 177.07 1xis h VAL 40 N 1.07 0.95 -0.36 2.27 2.07 -1.16 -0.53 116.25 120.56 1xis h VAL 40 Ca 0.27 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1xis h VAL 40 Cb 0.02 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1xis h VAL 40 CO -0.04 0.00 0.23 0.03 0.02 0.00 0.00 177.57 177.81 1xis h ARG 41 N 0.02 0.47 -0.59 1.57 3.08 -1.22 -1.37 114.38 116.34 1xis h ARG 41 Ca 0.03 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1xis h ARG 41 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1xis h ARG 41 CO -0.06 0.33 0.03 0.00 -1.07 0.00 0.00 179.97 179.21 1xis h ARG 42 N 0.47 1.02 -0.70 0.04 2.47 -1.02 -2.39 114.38 114.29 1xis h ARG 42 Ca 0.13 -0.31 -0.06 0.00 -1.26 0.00 0.00 59.98 58.48 1xis h ARG 42 Cb -0.03 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.16 1xis h ARG 42 CO -0.03 1.00 0.21 -0.07 0.56 0.00 0.00 179.97 181.64 1xis h LEU 43 N 0.92 1.00 -0.99 3.04 3.38 -1.02 -2.58 115.31 119.06 1xis h LEU 43 Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xis h LEU 43 Cb 0.51 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1xis h LEU 43 CO 0.02 0.94 0.19 0.00 0.09 0.00 0.00 178.44 179.68 1xis h ALA 44 N 1.19 1.19 -0.02 1.53 0.00 -0.99 -2.16 119.26 120.00 1xis h ALA 44 Ca 0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xis h ALA 44 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xis h ALA 44 CO -0.01 0.57 -0.28 0.93 0.00 0.00 0.00 179.25 180.46 1xis h GLU 45 N 0.89 0.04 -0.00 0.00 5.08 -1.08 -2.37 114.58 117.13 1xis h GLU 45 Ca 0.20 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xis h GLU 45 Cb 0.26 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1xis h GLU 45 CO -0.01 0.32 -0.02 1.28 -1.00 0.00 0.00 179.01 179.58 1xis n LEU 46 N -4.19 0.02 0.00 1.33 4.77 -0.87 -4.92 117.00 113.14 1xis n LEU 46 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1xis n LEU 46 Cb 0.34 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1xis n LEU 46 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1xis n GLY 47 N 1.46 1.04 3.78 -0.72 0.00 -0.89 -4.70 105.19 105.16 1xis n GLY 47 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1xis n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xis s ALA 48 N -2.00 2.35 -0.11 4.61 0.00 -0.88 -3.21 121.76 122.52 1xis s ALA 48 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.20 1xis s ALA 48 Cb 0.00 -3.23 -0.24 0.00 0.00 0.00 0.00 23.12 19.65 1xis s ALA 48 CO 0.00 -1.63 0.39 1.58 0.00 0.00 0.00 175.76 176.10 1xis n HIS 49 N -3.42 0.80 -3.92 0.00 -0.00 0.11 -4.55 115.22 104.24 1xis n HIS 49 Ca 0.08 0.24 -0.00 0.00 -0.00 0.00 0.00 57.72 58.04 1xis n HIS 49 Cb 0.53 -1.13 0.01 0.00 -0.00 0.00 0.00 29.99 29.41 1xis n HIS 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1xis s GLY 50 N -5.44 -0.02 0.27 1.57 0.00 -1.11 -1.96 107.32 100.62 1xis s GLY 50 Ca -0.13 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.51 1xis s GLY 50 CO 0.79 3.91 0.01 -1.34 0.00 0.00 0.00 173.10 176.47 1xis s VAL 51 N -2.11 1.16 0.20 1.40 -7.23 -0.39 -2.58 120.40 110.85 1xis s VAL 51 Ca 0.25 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1xis s VAL 51 Cb -0.01 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 1xis s VAL 51 CO 0.02 -0.20 0.05 0.42 -0.31 0.00 0.00 175.10 175.08 1xis s THR 52 N -3.33 0.54 0.04 5.32 -4.23 -0.52 -3.98 115.64 109.49 1xis s THR 52 Ca 0.32 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.63 1xis s THR 52 Cb 0.06 -2.32 0.05 0.00 1.34 0.00 0.00 72.50 71.64 1xis s THR 52 CO 0.12 -0.28 0.49 0.72 -0.54 0.00 0.00 174.62 175.13 1xis s PHE 53 N -3.76 -0.38 0.29 3.99 -0.71 -1.24 -0.87 117.98 115.31 1xis s PHE 53 Ca 0.30 0.41 -0.07 0.00 -1.04 0.00 0.00 56.93 56.53 1xis s PHE 53 Cb 0.07 0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 42.12 1xis s PHE 53 CO 0.08 -0.62 0.59 -1.01 -1.34 0.00 0.00 175.22 172.92 1xis s HIS 54 N -2.39 3.46 0.23 3.49 3.76 -1.26 -1.28 115.29 121.30 1xis s HIS 54 Ca -0.06 0.77 -0.17 0.00 -0.15 0.00 0.00 55.06 55.46 1xis s HIS 54 Cb -0.01 -2.20 0.24 0.00 1.11 0.00 0.00 32.58 31.72 1xis s HIS 54 CO -0.01 0.15 1.56 0.38 -0.85 0.00 0.00 174.74 175.97 1xis h ASP 55 N 1.82 -1.29 0.61 1.40 2.03 -1.76 -0.14 116.42 119.09 1xis h ASP 55 Ca -0.47 0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1xis h ASP 55 Cb 1.18 0.69 0.00 0.00 -0.83 0.00 0.00 39.33 40.38 1xis h ASP 55 CO 0.66 -0.29 0.00 0.47 -1.03 0.00 0.00 179.24 179.05 1xis n ASP 56 N -5.48 0.11 0.08 4.15 8.00 -1.26 -1.47 116.55 120.68 1xis n ASP 56 Ca 0.09 0.52 -0.17 0.00 0.71 0.00 0.00 54.79 55.95 1xis n ASP 56 Cb 0.40 -0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 40.86 1xis n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xis h ASP 57 N 0.00 0.62 0.09 -2.24 3.32 -1.41 -3.38 116.42 113.42 1xis h ASP 57 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 57.03 56.20 1xis h ASP 57 Cb 0.30 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1xis h ASP 57 CO 0.00 1.37 -1.61 0.25 -1.72 0.00 0.00 179.24 177.54 1xis h LEU 58 N 0.22 0.30 -7.88 1.55 5.85 -1.40 -3.46 115.31 110.49 1xis h LEU 58 Ca -0.12 -0.81 -0.66 0.00 0.84 0.00 0.00 57.88 57.13 1xis h LEU 58 Cb 1.75 -0.10 -0.37 0.00 0.37 0.00 0.00 40.66 42.32 1xis h LEU 58 CO 0.19 1.68 -0.81 -0.63 -0.34 0.00 0.00 178.44 178.54 1xis s ILE 59 N -2.48 2.07 0.23 4.05 1.01 -0.54 -4.87 121.20 120.66 1xis s ILE 59 Ca -0.23 -1.43 -0.31 0.00 0.00 0.00 0.00 60.65 58.68 1xis s ILE 59 Cb 0.06 -2.12 -0.14 0.00 0.01 0.00 0.00 42.46 40.26 1xis s ILE 59 CO 0.72 0.09 1.33 -2.65 0.00 0.00 0.00 174.94 174.44 1xis n PRO 60 N 4.50 1.81 -1.66 2.79 -0.02 -1.26 -4.18 135.00 136.98 1xis n PRO 60 Ca -0.15 0.64 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 1xis n PRO 60 Cb 0.44 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1xis n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xis n PHE 61 N 1.69 2.02 -0.63 6.00 7.35 -1.26 -1.99 117.46 130.65 1xis n PHE 61 Ca 0.12 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 57.29 1xis n PHE 61 Cb 0.30 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.71 1xis n PHE 61 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xis n GLY 62 N 2.00 0.75 3.77 7.13 0.00 -1.26 -5.05 105.19 112.54 1xis n GLY 62 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1xis n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xis s SER 63 N -2.52 6.29 0.80 1.61 0.01 -0.84 -5.01 113.70 114.03 1xis s SER 63 Ca 0.00 2.83 -0.11 0.00 1.31 0.00 0.00 55.95 59.98 1xis s SER 63 Cb 0.00 -2.65 0.07 0.00 0.21 0.00 0.00 66.02 63.65 1xis s SER 63 CO 0.00 -0.88 1.10 -0.94 0.41 0.00 0.00 173.24 172.92 1xis s SER 64 N -0.48 4.43 0.37 2.44 1.04 -1.26 -4.81 113.70 115.42 1xis s SER 64 Ca 0.55 1.30 0.08 0.00 0.48 0.00 0.00 55.95 58.36 1xis s SER 64 Cb -0.42 -2.02 0.80 0.00 0.10 0.00 0.00 66.02 64.48 1xis s SER 64 CO 0.55 -2.01 1.92 0.44 0.98 0.00 0.00 173.24 175.13 1xis h ASP 65 N -1.11 0.63 0.05 7.02 3.32 -1.99 -0.40 116.42 123.93 1xis h ASP 65 Ca -0.47 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1xis h ASP 65 Cb 1.27 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1xis h ASP 65 CO 0.59 0.37 -0.02 0.28 -1.72 0.00 0.00 179.24 178.74 1xis h SER 66 N 0.70 -0.05 -0.89 6.45 0.02 -2.00 -2.08 113.55 115.70 1xis h SER 66 Ca 0.37 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1xis h SER 66 Cb 0.49 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1xis h SER 66 CO -0.14 0.31 0.56 -0.33 -1.14 0.00 0.00 176.83 176.09 1xis h GLU 67 N -0.42 1.18 0.25 3.45 5.08 -1.80 -2.19 114.58 120.13 1xis h GLU 67 Ca -0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xis h GLU 67 Cb 0.38 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xis h GLU 67 CO 0.01 0.81 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.56 1xis h ARG 68 N 1.21 -0.40 -0.89 2.33 2.43 -1.02 -1.19 114.38 116.85 1xis h ARG 68 Ca 0.32 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.59 1xis h ARG 68 Cb -0.10 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 1xis h ARG 68 CO -0.07 -0.27 0.58 0.93 -1.51 0.00 0.00 179.97 179.63 1xis h GLU 69 N -0.42 0.94 -0.41 0.20 3.07 -1.03 -1.53 114.58 115.40 1xis h GLU 69 Ca -0.02 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 1xis h GLU 69 Cb 0.36 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1xis h GLU 69 CO 0.01 0.62 0.03 0.93 -1.40 0.00 0.00 179.01 179.20 1xis h GLU 70 N 0.97 0.70 -0.58 2.33 3.07 -1.04 -1.15 114.58 118.88 1xis h GLU 70 Ca 0.39 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 1xis h GLU 70 Cb 0.27 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1xis h GLU 70 CO -0.15 0.77 0.18 0.45 -1.40 0.00 0.00 179.01 178.85 1xis h HIS 71 N 0.54 0.94 -0.21 4.33 -0.00 -0.49 -2.42 115.15 117.84 1xis h HIS 71 Ca 0.12 -0.10 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1xis h HIS 71 Cb 0.43 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1xis h HIS 71 CO 0.03 0.79 0.05 0.28 -0.00 0.00 0.00 177.93 179.07 1xis h VAL 72 N 0.82 1.21 -0.41 2.45 2.07 -1.16 -2.44 116.25 118.79 1xis h VAL 72 Ca 0.19 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1xis h VAL 72 Cb 0.29 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1xis h VAL 72 CO -0.00 0.22 0.15 0.50 0.02 0.00 0.00 177.57 178.46 1xis h LYS 73 N 0.16 0.31 -0.82 1.57 3.64 -1.08 0.19 116.57 120.55 1xis h LYS 73 Ca 0.07 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1xis h LYS 73 Cb 0.29 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1xis h LYS 73 CO 0.00 0.21 0.54 0.00 -2.27 0.00 0.00 179.45 177.93 1xis h ARG 74 N 0.32 1.05 -0.20 1.90 3.08 -1.43 -1.10 114.38 118.01 1xis h ARG 74 Ca 0.19 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1xis h ARG 74 Cb 0.16 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1xis h ARG 74 CO -0.18 0.70 0.00 0.35 -1.07 0.00 0.00 179.97 179.77 1xis h PHE 75 N 1.09 0.38 -0.49 3.04 3.57 -0.87 -2.52 116.94 121.13 1xis h PHE 75 Ca 0.31 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1xis h PHE 75 Cb -0.09 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1xis h PHE 75 CO -0.02 0.54 0.33 -0.09 -2.23 0.00 0.00 178.31 176.84 1xis h ARG 76 N 0.11 0.61 -0.49 1.11 9.65 -0.36 -1.86 114.38 123.15 1xis h ARG 76 Ca 0.06 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1xis h ARG 76 Cb 0.39 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 1xis h ARG 76 CO 0.01 0.41 0.18 0.37 2.80 0.00 0.00 179.97 183.74 1xis h GLN 77 N 0.63 0.74 -0.47 0.20 5.75 -1.06 -0.83 115.11 120.06 1xis h GLN 77 Ca 0.19 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 1xis h GLN 77 Cb -0.02 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1xis h GLN 77 CO -0.04 0.67 0.06 0.00 -2.65 0.00 0.00 178.83 176.87 1xis h ALA 78 N 1.03 1.22 -0.52 3.38 0.00 -0.93 -1.27 119.26 122.17 1xis h ALA 78 Ca 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xis h ALA 78 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xis h ALA 78 CO -0.01 0.52 0.22 -0.07 0.00 0.00 0.00 179.25 179.92 1xis h LEU 79 N 0.71 0.70 -0.78 0.00 3.38 -1.05 -2.43 115.31 115.84 1xis h LEU 79 Ca 0.15 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1xis h LEU 79 Cb 0.35 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1xis h LEU 79 CO 0.01 0.66 0.16 0.44 0.09 0.00 0.00 178.44 179.81 1xis h ASP 80 N 0.70 1.03 0.20 -0.43 3.32 -0.62 -0.07 116.42 120.54 1xis h ASP 80 Ca 0.18 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1xis h ASP 80 Cb 0.17 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1xis h ASP 80 CO -0.02 0.99 -0.29 0.44 -1.72 0.00 0.00 179.24 178.64 1xis h ASP 81 N 1.03 0.14 0.00 6.45 3.32 -1.19 -3.33 116.42 122.84 1xis h ASP 81 Ca 0.22 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1xis h ASP 81 Cb 0.36 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xis h ASP 81 CO 0.00 0.44 -1.48 0.35 -1.72 0.00 0.00 179.24 176.83 1xis n THR 82 N -4.15 0.00 -0.83 0.35 -2.24 -0.92 -5.00 114.28 101.49 1xis n THR 82 Ca -0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1xis n THR 82 Cb 0.37 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1xis n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xis n GLY 83 N 1.63 0.68 3.78 3.38 0.00 -0.06 -5.04 105.19 109.56 1xis n GLY 83 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1xis n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xis s MET 84 N -0.17 3.51 0.38 1.61 -1.94 -1.16 -4.99 119.30 116.54 1xis s MET 84 Ca 0.00 1.55 0.08 0.00 -1.71 0.00 0.00 55.69 55.60 1xis s MET 84 Cb 0.00 -2.06 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1xis s MET 84 CO 0.00 -0.70 0.20 0.15 -0.01 0.00 0.00 175.02 174.65 1xis s LYS 85 N -3.23 2.36 -0.47 2.03 -0.14 -0.83 -4.79 119.74 114.68 1xis s LYS 85 Ca 0.71 -1.63 0.03 0.00 -1.36 0.00 0.00 55.97 53.71 1xis s LYS 85 Cb -0.22 -2.16 0.14 0.00 -1.68 0.00 0.00 37.83 33.91 1xis s LYS 85 CO 0.25 -0.01 0.25 0.08 -0.76 0.00 0.00 175.35 175.16 1xis s VAL 86 N -2.49 1.71 -0.57 3.17 1.01 -1.26 -1.26 120.40 120.71 1xis s VAL 86 Ca 0.41 -2.79 0.24 0.00 0.00 0.00 0.00 61.98 59.84 1xis s VAL 86 Cb -0.01 -2.19 0.30 0.00 0.00 0.00 0.00 36.38 34.48 1xis s VAL 86 CO 0.24 -0.88 1.66 -0.65 0.00 0.00 0.00 175.10 175.46 1xis h PRO 87 N 6.62 0.00 -3.22 2.72 0.11 -1.85 -2.96 132.00 133.42 1xis h PRO 87 Ca -0.02 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1xis h PRO 87 Cb 0.91 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.83 1xis h PRO 87 CO 0.54 0.00 -0.33 1.41 -0.21 0.00 0.00 178.00 179.40 1xis s MET 88 N -3.17 0.64 0.16 1.05 -2.45 -1.26 -1.44 119.30 112.83 1xis s MET 88 Ca 0.08 -0.31 -0.03 0.00 -1.25 0.00 0.00 55.69 54.18 1xis s MET 88 Cb 0.09 0.28 -0.03 0.00 1.25 0.00 0.00 34.83 36.41 1xis s MET 88 CO 0.64 -0.18 0.14 0.00 1.05 0.00 0.00 175.02 176.68 1xis s ALA 89 N -1.57 0.67 0.33 4.11 0.00 -1.00 -3.73 121.76 120.57 1xis s ALA 89 Ca -0.12 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 1xis s ALA 89 Cb -0.05 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.07 1xis s ALA 89 CO 0.02 -0.56 0.60 -0.08 0.00 0.00 0.00 175.76 175.74 1xis s THR 90 N -4.05 0.00 -0.01 0.00 -1.32 -0.40 -1.34 115.64 108.52 1xis s THR 90 Ca 0.25 -1.30 0.04 0.00 -1.21 0.00 0.00 61.69 59.48 1xis s THR 90 Cb 0.06 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 1xis s THR 90 CO 0.04 0.00 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.43 1xis s THR 91 N -3.14 3.18 -0.57 5.08 2.01 -1.26 -2.07 115.64 118.86 1xis s THR 91 Ca 0.22 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1xis s THR 91 Cb -0.03 -2.31 0.05 0.00 0.01 0.00 0.00 72.50 70.22 1xis s THR 91 CO 0.13 0.46 0.89 0.21 -0.69 0.00 0.00 174.62 175.63 1xis s ASN 92 N -1.13 6.27 -0.35 3.53 3.04 -1.26 -4.83 114.94 120.21 1xis s ASN 92 Ca 0.14 -0.63 0.06 0.00 0.04 0.00 0.00 52.86 52.47 1xis s ASN 92 Cb -0.11 -2.41 0.46 0.00 -1.54 0.00 0.00 41.25 37.65 1xis s ASN 92 CO 0.04 -1.23 1.34 0.18 -3.04 0.00 0.00 177.10 174.39 1xis n LEU 93 N 7.31 5.30 0.00 3.21 4.77 -1.26 -4.72 117.00 131.61 1xis n LEU 93 Ca -0.01 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.34 1xis n LEU 93 Cb 0.47 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1xis n LEU 93 CO 0.62 1.96 0.00 2.22 -1.33 0.00 0.00 177.39 180.86 1xis n PHE 94 N -0.77 0.00 -0.04 -1.77 1.16 -1.26 -4.47 117.46 110.31 1xis n PHE 94 Ca 0.46 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.94 1xis n PHE 94 Cb 0.91 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.69 1xis n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xis h THR 95 N 0.00 1.22 -3.98 1.97 2.02 -1.94 -3.47 112.91 108.73 1xis h THR 95 Ca 0.00 -1.74 -0.54 0.00 0.77 0.00 0.00 66.41 64.90 1xis h THR 95 Cb 0.00 2.23 0.10 0.00 -1.74 0.00 0.00 68.15 68.74 1xis h THR 95 CO 0.00 0.39 0.64 -2.28 0.37 0.00 0.00 175.52 174.64 1xis s HIS 96 N -2.48 2.60 0.54 3.16 2.46 -1.26 -4.91 115.29 115.41 1xis s HIS 96 Ca -0.14 1.35 0.27 0.00 0.47 0.00 0.00 55.06 57.01 1xis s HIS 96 Cb -0.01 -3.78 1.44 0.00 -0.13 0.00 0.00 32.58 30.10 1xis s HIS 96 CO 0.51 -2.52 1.97 -1.35 -2.47 0.00 0.00 174.74 170.87 1xis h PRO 97 N 2.35 0.00 -0.37 2.88 0.11 -2.03 -0.70 132.00 134.24 1xis h PRO 97 Ca -0.50 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.70 1xis h PRO 97 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1xis h PRO 97 CO 0.61 0.00 0.26 -0.24 -0.21 0.00 0.00 178.00 178.43 1xis h VAL 98 N 0.00 0.85 -0.32 3.15 3.04 -1.97 -1.46 116.25 119.53 1xis h VAL 98 Ca 0.27 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1xis h VAL 98 Cb 1.15 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1xis h VAL 98 CO -0.00 0.01 0.00 0.49 -1.01 0.00 0.00 177.57 177.06 1xis n PHE 99 N -4.44 0.84 -0.01 3.17 3.72 -0.27 -4.55 117.46 115.91 1xis n PHE 99 Ca 0.06 -0.32 0.20 0.00 -0.05 0.00 0.00 57.45 57.34 1xis n PHE 99 Cb 0.41 -0.19 0.68 0.00 -0.94 0.00 0.00 39.48 39.44 1xis n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xis h LYS 100 N 2.08 0.02 -0.49 -1.08 2.10 -1.41 -0.31 116.57 117.47 1xis h LYS 100 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xis h LYS 100 Cb 0.96 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1xis h LYS 100 CO 0.15 0.01 0.00 -3.47 -2.00 0.00 0.00 179.45 174.15 1xis n ASP 101 N -4.38 3.44 0.00 7.07 2.03 -1.26 -5.04 116.55 118.41 1xis n ASP 101 Ca 0.10 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.34 1xis n ASP 101 Cb 0.61 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1xis n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xis n GLY 102 N 0.89 2.41 0.10 0.27 0.00 -0.13 -3.85 105.19 104.88 1xis n GLY 102 Ca 0.17 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1xis n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xis n GLY 103 N -1.05 -0.16 0.26 -0.02 0.00 -1.26 -4.31 105.19 98.64 1xis n GLY 103 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1xis n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xis h PHE 104 N 0.00 0.00 0.00 1.61 0.04 -1.90 -3.16 116.94 113.53 1xis h PHE 104 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xis h PHE 104 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1xis h PHE 104 CO 0.00 0.14 -0.20 0.25 -0.60 0.00 0.00 178.31 177.90 1xis n THR 105 N -3.51 1.86 -1.78 -1.55 -2.24 -1.26 -4.46 114.28 101.34 1xis n THR 105 Ca -0.01 -2.44 -0.38 0.00 -2.27 0.00 0.00 64.05 58.95 1xis n THR 105 Cb 0.29 -0.18 0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1xis n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xis s ALA 106 N -2.80 2.68 0.32 6.98 0.00 -1.19 -4.86 121.76 122.89 1xis s ALA 106 Ca 0.32 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.62 1xis s ALA 106 Cb 0.30 -3.56 0.56 0.00 0.00 0.00 0.00 23.12 20.42 1xis s ALA 106 CO -0.01 -1.43 1.82 -0.91 0.00 0.00 0.00 175.76 175.24 1xis h ASN 107 N 1.17 0.44 -3.03 0.00 2.35 -1.94 -3.42 115.58 111.15 1xis h ASN 107 Ca -0.51 -0.11 -0.55 0.00 -0.55 0.00 0.00 56.30 54.58 1xis h ASN 107 Cb 1.31 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1xis h ASN 107 CO 0.56 0.59 0.75 -1.81 -1.65 0.00 0.00 177.43 175.87 1xis s ASP 108 N -6.79 6.99 0.27 5.81 1.01 -1.26 -4.93 116.67 117.77 1xis s ASP 108 Ca -0.07 1.89 -0.03 0.00 0.71 0.00 0.00 52.55 55.04 1xis s ASP 108 Cb 0.15 -2.56 0.34 0.00 1.01 0.00 0.00 42.92 41.86 1xis s ASP 108 CO 0.77 -0.63 1.86 -0.09 0.21 0.00 0.00 175.17 177.29 1xis h ARG 109 N 7.60 1.03 -0.68 8.23 2.43 -2.01 -2.76 114.38 128.22 1xis h ARG 109 Ca -0.35 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1xis h ARG 109 Cb 1.16 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1xis h ARG 109 CO 0.89 0.81 0.39 0.38 -1.51 0.00 0.00 179.97 180.92 1xis h ASP 110 N 1.02 0.83 -0.42 -3.80 2.03 -1.96 -1.86 116.42 112.27 1xis h ASP 110 Ca 0.25 -0.06 -0.09 0.00 -0.73 0.00 0.00 57.03 56.40 1xis h ASP 110 Cb 0.13 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 1xis h ASP 110 CO -0.03 0.66 -0.09 0.58 -1.03 0.00 0.00 179.24 179.33 1xis h VAL 111 N 0.95 1.27 -0.50 4.15 2.07 -1.87 -2.11 116.25 120.22 1xis h VAL 111 Ca 0.24 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1xis h VAL 111 Cb 0.00 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1xis h VAL 111 CO -0.04 0.40 0.27 0.03 0.02 0.00 0.00 177.57 178.25 1xis h ARG 112 N 0.63 0.51 -0.73 1.57 3.08 -1.24 0.32 114.38 118.52 1xis h ARG 112 Ca 0.11 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1xis h ARG 112 Cb 0.62 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1xis h ARG 112 CO 0.04 0.34 0.22 0.00 -1.07 0.00 0.00 179.97 179.49 1xis h ARG 113 N 0.52 1.15 -0.28 0.04 3.08 -1.19 -2.33 114.38 115.37 1xis h ARG 113 Ca 0.22 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xis h ARG 113 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1xis h ARG 113 CO -0.14 0.98 0.16 -0.92 -1.07 0.00 0.00 179.97 178.99 1xis h TYR 114 N 1.10 0.37 -0.55 3.04 3.20 -1.06 -2.01 116.97 121.06 1xis h TYR 114 Ca 0.24 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.18 1xis h TYR 114 Cb 0.32 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 1xis h TYR 114 CO 0.03 0.29 0.20 0.00 -1.64 0.00 0.00 178.16 177.04 1xis h ALA 115 N 1.05 0.68 -0.56 1.82 0.00 -0.75 -0.14 119.26 121.37 1xis h ALA 115 Ca 0.10 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1xis h ALA 115 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xis h ALA 115 CO -0.02 -0.20 0.17 -0.07 0.00 0.00 0.00 179.25 179.13 1xis h LEU 116 N 0.38 0.82 -0.98 0.00 3.38 -1.17 -2.19 115.31 115.56 1xis h LEU 116 Ca 0.27 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1xis h LEU 116 Cb 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1xis h LEU 116 CO -0.27 0.82 0.20 0.03 0.09 0.00 0.00 178.44 179.31 1xis h ARG 117 N 0.79 0.94 -0.45 1.13 2.47 -0.83 -0.56 114.38 117.87 1xis h ARG 117 Ca 0.18 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1xis h ARG 117 Cb 0.29 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1xis h ARG 117 CO -0.00 0.80 -0.16 -0.22 0.56 0.00 0.00 179.97 180.94 1xis h LYS 118 N 0.91 0.85 0.17 0.04 3.64 -0.88 -2.43 116.57 118.87 1xis h LYS 118 Ca 0.20 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1xis h LYS 118 Cb 0.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1xis h LYS 118 CO -0.01 0.95 -0.08 1.15 -2.27 0.00 0.00 179.45 179.19 1xis h THR 119 N 0.75 0.90 -0.63 1.00 2.02 -1.08 -2.98 112.91 112.89 1xis h THR 119 Ca 0.11 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 67.06 1xis h THR 119 Cb 0.68 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 1xis h THR 119 CO 0.05 0.07 0.32 0.40 0.37 0.00 0.00 175.52 176.73 1xis h ILE 120 N -0.37 0.90 -0.99 3.11 2.04 -1.00 -1.36 117.51 119.84 1xis h ILE 120 Ca -0.02 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.73 1xis h ILE 120 Cb 0.29 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 1xis h ILE 120 CO 0.04 0.11 0.64 -0.09 0.00 0.00 0.00 178.15 178.84 1xis h ARG 121 N 0.58 1.04 0.00 2.37 2.43 -1.41 -1.93 114.38 117.46 1xis h ARG 121 Ca 0.30 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.26 1xis h ARG 121 Cb 0.25 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1xis h ARG 121 CO -0.22 0.69 -0.66 -0.97 -1.51 0.00 0.00 179.97 177.30 1xis h ASN 122 N 1.07 0.00 -0.47 -3.80 -1.24 -1.17 -3.00 115.58 106.96 1xis h ASN 122 Ca 0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.47 1xis h ASN 122 Cb 0.33 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.36 1xis h ASN 122 CO -0.21 0.66 0.30 0.40 -1.29 0.00 0.00 177.43 177.29 1xis h ILE 123 N 0.00 1.14 -0.64 2.57 2.04 -0.51 -0.37 117.51 121.74 1xis h ILE 123 Ca -0.01 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1xis h ILE 123 Cb 1.34 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 1xis h ILE 123 CO 0.09 0.14 0.38 0.44 0.00 0.00 0.00 178.15 179.19 1xis h ASP 124 N 0.63 0.59 -0.26 1.72 3.32 -1.32 -1.87 116.42 119.23 1xis h ASP 124 Ca 0.17 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1xis h ASP 124 Cb -0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1xis h ASP 124 CO -0.03 0.40 0.12 0.25 -1.72 0.00 0.00 179.24 178.26 1xis h LEU 125 N 0.72 0.34 -0.46 1.55 5.85 -1.36 -2.32 115.31 119.63 1xis h LEU 125 Ca 0.27 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1xis h LEU 125 Cb 0.09 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1xis h LEU 125 CO -0.13 0.37 0.06 0.00 -0.34 0.00 0.00 178.44 178.40 1xis h ALA 126 N 0.98 0.48 -0.36 1.25 0.00 -0.72 -1.84 119.26 119.05 1xis h ALA 126 Ca 0.09 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xis h ALA 126 Cb 0.12 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xis h ALA 126 CO -0.01 -0.34 0.21 0.28 0.00 0.00 0.00 179.25 179.39 1xis h VAL 127 N 0.19 1.03 -0.87 0.00 2.07 -1.22 -1.27 116.25 116.18 1xis h VAL 127 Ca 0.23 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1xis h VAL 127 Cb 0.31 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1xis h VAL 127 CO -0.32 0.08 0.50 -0.08 0.02 0.00 0.00 177.57 177.77 1xis h GLU 128 N 0.43 0.79 -0.00 1.57 4.81 -0.84 -2.12 114.58 119.22 1xis h GLU 128 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1xis h GLU 128 Cb 0.01 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1xis h GLU 128 CO -0.07 0.52 -0.02 1.28 -0.73 0.00 0.00 179.01 179.99 1xis n LEU 129 N -4.73 0.14 0.00 1.64 4.77 -0.75 -4.93 117.00 113.14 1xis n LEU 129 Ca 0.15 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1xis n LEU 129 Cb 0.32 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1xis n LEU 129 CO 0.26 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1xis n GLY 130 N 1.21 0.76 3.77 -0.72 0.00 -0.80 -4.48 105.19 104.93 1xis n GLY 130 Ca 0.17 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1xis n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xis s ALA 131 N -2.00 3.29 -0.03 4.61 0.00 -0.52 -4.72 121.76 122.39 1xis s ALA 131 Ca 0.00 1.11 0.20 0.00 0.00 0.00 0.00 51.96 53.27 1xis s ALA 131 Cb 0.00 -3.43 -0.31 0.00 0.00 0.00 0.00 23.12 19.38 1xis s ALA 131 CO 0.00 -0.60 0.43 0.39 0.00 0.00 0.00 175.76 175.98 1xis n GLU 132 N 0.38 0.62 -4.57 0.00 1.02 -0.52 -4.66 120.64 112.92 1xis n GLU 132 Ca 0.02 -0.18 -0.22 0.00 -0.02 0.00 0.00 57.16 56.77 1xis n GLU 132 Cb 0.44 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.23 1xis n GLU 132 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xis s THR 133 N -3.37 1.01 -0.18 2.62 2.01 -1.04 -2.09 115.64 114.61 1xis s THR 133 Ca -0.07 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1xis s THR 133 Cb 0.13 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.79 1xis s THR 133 CO 0.84 0.29 -0.19 -0.47 -0.69 0.00 0.00 174.62 174.40 1xis s TYR 134 N -0.12 2.78 0.10 4.92 5.04 0.51 -2.39 117.35 128.19 1xis s TYR 134 Ca 0.02 -1.57 -0.07 0.00 -2.44 0.00 0.00 57.07 53.00 1xis s TYR 134 Cb -0.07 -1.92 -0.06 0.00 0.35 0.00 0.00 41.96 40.27 1xis s TYR 134 CO 0.00 -0.77 0.38 0.08 -1.34 0.00 0.00 175.55 173.90 1xis s VAL 135 N 1.24 5.15 -0.14 3.14 1.01 -0.45 -1.09 120.40 129.26 1xis s VAL 135 Ca 0.04 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1xis s VAL 135 Cb -0.13 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1xis s VAL 135 CO -0.11 0.18 -0.10 0.00 0.00 0.00 0.00 175.10 175.07 1xis s ALA 136 N -1.51 1.61 -0.29 5.51 0.00 -0.14 -4.17 121.76 122.78 1xis s ALA 136 Ca 0.36 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1xis s ALA 136 Cb -0.13 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 22.01 1xis s ALA 136 CO 0.21 -0.49 -0.02 -0.46 0.00 0.00 0.00 175.76 174.99 1xis s TRP 137 N 1.59 3.27 -1.32 0.00 -0.00 -1.26 -0.61 118.94 120.60 1xis s TRP 137 Ca 0.04 -1.96 -0.10 0.00 -0.00 0.00 0.00 56.10 54.08 1xis s TRP 137 Cb -0.13 -2.09 0.13 0.00 -0.00 0.00 0.00 33.47 31.38 1xis s TRP 137 CO -0.09 -0.82 2.01 0.41 -0.00 0.00 0.00 176.95 178.46 1xis n GLY 138 N 4.59 4.74 0.24 5.86 0.00 -1.26 -4.77 105.19 114.59 1xis n GLY 138 Ca -0.13 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 43.99 1xis n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xis h GLY 139 N 8.00 0.00 -2.52 -0.02 0.00 -1.93 -2.57 103.07 104.03 1xis h GLY 139 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1xis h GLY 139 CO 1.67 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.75 1xis n ARG 140 N -3.92 2.62 -2.91 4.80 5.12 -1.26 -4.07 116.66 117.04 1xis n ARG 140 Ca -0.02 -2.49 -0.43 0.00 -1.93 0.00 0.00 57.85 52.98 1xis n ARG 140 Cb 0.25 -1.54 -0.05 0.00 -1.16 0.00 0.00 32.46 29.97 1xis n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xis s GLU 141 N -1.24 3.24 0.00 5.56 0.41 -0.97 -3.02 118.70 122.68 1xis s GLU 141 Ca 0.44 -0.52 0.00 0.00 -0.41 0.00 0.00 54.97 54.48 1xis s GLU 141 Cb 0.24 -4.10 0.00 0.00 -1.78 0.00 0.00 34.13 28.49 1xis s GLU 141 CO 0.33 -1.49 0.00 0.41 -0.49 0.00 0.00 175.26 174.01 1xis n GLY 142 N 5.17 -0.55 3.49 -1.39 0.00 -1.26 -1.15 105.19 109.51 1xis n GLY 142 Ca -0.01 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1xis n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xis s ALA 143 N -1.00 -1.75 -0.48 4.61 0.00 -0.70 -4.91 121.76 117.52 1xis s ALA 143 Ca 0.00 0.84 0.18 0.00 0.00 0.00 0.00 51.96 52.98 1xis s ALA 143 Cb 0.00 0.55 -0.23 0.00 0.00 0.00 0.00 23.12 23.43 1xis s ALA 143 CO 0.00 -0.72 0.60 0.39 0.00 0.00 0.00 175.76 176.03 1xis n GLU 144 N -0.29 0.86 -3.98 0.00 4.71 -1.26 -1.89 120.64 118.79 1xis n GLU 144 Ca -0.11 -0.07 -0.08 0.00 -0.01 0.00 0.00 57.16 56.89 1xis n GLU 144 Cb 0.63 -1.38 -0.09 0.00 -1.01 0.00 0.00 31.44 29.58 1xis n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xis s SER 145 N -3.32 0.29 0.27 1.62 1.04 -1.26 -4.94 113.70 107.41 1xis s SER 145 Ca 0.01 -0.72 -0.00 0.00 0.48 0.00 0.00 55.95 55.72 1xis s SER 145 Cb 0.13 0.22 0.38 0.00 0.10 0.00 0.00 66.02 66.85 1xis s SER 145 CO 0.75 -0.55 1.76 1.23 0.98 0.00 0.00 173.24 177.41 1xis h GLY 146 N 3.46 0.74 1.87 7.32 0.00 -1.95 -3.20 103.07 111.30 1xis h GLY 146 Ca -0.33 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1xis h GLY 146 CO 0.56 0.47 -0.11 -1.33 0.00 0.00 0.00 176.54 176.13 1xis h GLY 147 N 0.96 0.00 2.00 4.60 0.00 -2.04 -3.35 103.07 105.24 1xis h GLY 147 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1xis h GLY 147 CO 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.40 1xis h ALA 148 N 2.34 1.46 -3.21 3.60 0.00 -1.99 -3.43 119.26 118.03 1xis h ALA 148 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 1xis h ALA 148 Cb 0.83 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 18.24 1xis h ALA 148 CO 0.00 0.21 -0.65 0.21 0.00 0.00 0.00 179.25 179.02 1xis s LYS 149 N -4.38 0.02 -0.46 0.00 2.47 -1.26 -4.99 119.74 111.15 1xis s LYS 149 Ca -0.03 0.44 -0.25 0.00 -1.56 0.00 0.00 55.97 54.57 1xis s LYS 149 Cb 0.14 -0.28 0.03 0.00 -1.46 0.00 0.00 37.83 36.26 1xis s LYS 149 CO 0.64 -0.26 0.88 0.34 0.16 0.00 0.00 175.35 177.11 1xis s ASP 150 N 1.84 6.47 0.33 1.43 -1.08 -1.26 -4.94 116.67 119.45 1xis s ASP 150 Ca -0.01 0.04 0.02 0.00 -0.52 0.00 0.00 52.55 52.08 1xis s ASP 150 Cb -0.12 -2.43 0.56 0.00 -1.46 0.00 0.00 42.92 39.47 1xis s ASP 150 CO -0.05 -1.01 1.90 0.58 0.52 0.00 0.00 175.17 177.11 1xis h VAL 151 N 6.05 1.19 -0.15 1.11 2.07 -1.98 -0.24 116.25 124.30 1xis h VAL 151 Ca -0.24 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1xis h VAL 151 Cb 1.08 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1xis h VAL 151 CO 1.01 0.25 0.08 0.03 0.02 0.00 0.00 177.57 178.95 1xis h ARG 152 N 0.67 0.17 -0.31 1.57 3.08 -1.99 0.13 114.38 117.69 1xis h ARG 152 Ca 0.16 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1xis h ARG 152 Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1xis h ARG 152 CO -0.01 0.11 -0.07 -0.44 -1.07 0.00 0.00 179.97 178.49 1xis h ASP 153 N 0.17 0.48 -0.52 7.04 3.32 -1.92 -1.31 116.42 123.69 1xis h ASP 153 Ca 0.06 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1xis h ASP 153 Cb 0.00 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1xis h ASP 153 CO -0.03 0.60 -0.08 0.00 -1.72 0.00 0.00 179.24 178.01 1xis h ALA 154 N 1.45 0.71 -0.41 3.45 0.00 -0.57 -0.90 119.26 122.99 1xis h ALA 154 Ca 0.09 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1xis h ALA 154 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xis h ALA 154 CO 0.02 0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 179.79 1xis h LEU 155 N 0.84 0.63 -0.36 0.00 3.38 -0.51 0.12 115.31 119.42 1xis h LEU 155 Ca 0.14 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xis h LEU 155 Cb 0.64 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1xis h LEU 155 CO 0.04 0.70 0.14 0.44 0.09 0.00 0.00 178.44 179.86 1xis h ASP 156 N 0.62 0.18 -0.38 -0.43 3.32 -0.60 -0.12 116.42 119.01 1xis h ASP 156 Ca 0.13 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1xis h ASP 156 Cb 0.40 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1xis h ASP 156 CO 0.02 0.14 0.10 0.03 -1.72 0.00 0.00 179.24 177.81 1xis h ARG 157 N 0.30 0.69 -0.26 3.56 2.47 -0.62 -0.42 114.38 120.09 1xis h ARG 157 Ca 0.16 -0.13 -0.18 0.00 -1.26 0.00 0.00 59.98 58.57 1xis h ARG 157 Cb 0.11 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1xis h ARG 157 CO -0.15 0.63 -0.54 1.98 0.56 0.00 0.00 179.97 182.46 1xis h MET 158 N 0.67 0.78 -0.34 0.04 4.05 -0.28 -1.75 114.93 118.10 1xis h MET 158 Ca 0.15 -0.49 -0.02 0.00 -0.28 0.00 0.00 59.70 59.06 1xis h MET 158 Cb 0.26 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1xis h MET 158 CO -0.00 1.12 0.15 -0.22 0.23 0.00 0.00 176.91 178.18 1xis h LYS 159 N 0.60 0.50 -0.75 0.39 3.64 -0.91 -1.85 116.57 118.20 1xis h LYS 159 Ca 0.02 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1xis h LYS 159 Cb 1.12 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1xis h LYS 159 CO 0.11 0.48 0.46 1.49 -2.27 0.00 0.00 179.45 179.72 1xis h GLU 160 N 0.41 0.83 0.05 1.90 4.81 -0.88 0.14 114.58 121.84 1xis h GLU 160 Ca 0.12 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1xis h GLU 160 Cb 0.16 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1xis h GLU 160 CO -0.01 0.55 -0.02 0.00 -0.73 0.00 0.00 179.01 178.80 1xis h ALA 161 N 1.35 -0.06 -0.71 2.92 0.00 -1.09 -1.78 119.26 119.88 1xis h ALA 161 Ca 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xis h ALA 161 Cb 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1xis h ALA 161 CO -0.15 -0.45 0.31 0.74 0.00 0.00 0.00 179.25 179.70 1xis h PHE 162 N -0.23 1.03 -0.44 0.00 0.04 -1.06 -1.63 116.94 114.65 1xis h PHE 162 Ca -0.01 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1xis h PHE 162 Cb 0.21 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1xis h PHE 162 CO -0.02 0.77 0.20 -0.44 -0.60 0.00 0.00 178.31 178.23 1xis h ASP 163 N 1.01 0.57 -0.89 2.17 3.32 -0.61 -1.86 116.42 120.14 1xis h ASP 163 Ca 0.24 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xis h ASP 163 Cb 0.16 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1xis h ASP 163 CO -0.03 0.55 0.56 -0.07 -1.72 0.00 0.00 179.24 178.53 1xis h LEU 164 N 0.56 1.05 -0.74 1.55 3.38 -1.00 -0.41 115.31 119.70 1xis h LEU 164 Ca 0.15 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1xis h LEU 164 Cb 0.13 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1xis h LEU 164 CO -0.02 0.78 0.23 -0.07 0.09 0.00 0.00 178.44 179.46 1xis h LEU 165 N 1.22 1.08 -0.41 1.67 3.38 -1.02 -0.13 115.31 121.10 1xis h LEU 165 Ca 0.32 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1xis h LEU 165 Cb -0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 1xis h LEU 165 CO -0.06 1.00 0.14 1.23 0.09 0.00 0.00 178.44 180.84 1xis h GLY 166 N 1.10 0.68 0.98 0.83 0.00 -1.05 -1.79 103.07 103.81 1xis h GLY 166 Ca 0.24 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1xis h GLY 166 CO -0.01 0.36 0.47 -2.09 0.00 0.00 0.00 176.54 175.28 1xis h GLU 167 N 0.52 0.93 0.40 4.80 4.81 -0.60 -2.24 114.58 123.21 1xis h GLU 167 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1xis h GLU 167 Cb 0.23 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xis h GLU 167 CO -0.01 0.62 -0.22 -0.92 -0.73 0.00 0.00 179.01 177.75 1xis h TYR 168 N 0.96 -0.58 -0.56 0.92 3.20 -0.66 -0.86 116.97 119.39 1xis h TYR 168 Ca 0.27 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1xis h TYR 168 Cb -0.09 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1xis h TYR 168 CO -0.03 -0.35 0.26 -0.39 -1.64 0.00 0.00 178.16 176.02 1xis h VAL 169 N -0.59 1.19 -0.37 1.81 -1.51 -1.28 -1.85 116.25 113.66 1xis h VAL 169 Ca -0.05 -0.53 -0.06 0.00 -1.23 0.00 0.00 66.70 64.83 1xis h VAL 169 Cb 0.47 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 1xis h VAL 169 CO 0.07 0.22 -0.01 0.74 -1.23 0.00 0.00 177.57 177.35 1xis h THR 170 N 0.78 1.26 -0.05 7.19 2.02 -1.33 -0.88 112.91 121.91 1xis h THR 170 Ca 0.20 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.27 1xis h THR 170 Cb 0.09 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1xis h THR 170 CO -0.03 0.34 -0.41 0.77 0.37 0.00 0.00 175.52 176.56 1xis h SER 171 N 0.47 0.11 0.89 4.18 4.64 -0.80 -2.64 113.55 120.39 1xis h SER 171 Ca 0.10 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xis h SER 171 Cb 0.48 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1xis h SER 171 CO 0.02 0.51 -0.37 0.00 -0.87 0.00 0.00 176.83 176.12 1xis n GLN 172 N -4.04 0.15 -2.46 4.77 1.13 -0.73 -4.95 117.38 111.26 1xis n GLN 172 Ca -0.02 0.07 -0.12 0.00 -1.94 0.00 0.00 57.00 54.99 1xis n GLN 172 Cb 0.46 -1.62 0.01 0.00 0.11 0.00 0.00 30.24 29.20 1xis n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xis n GLY 173 N 1.41 -0.04 3.83 1.08 0.00 -0.57 -5.02 105.19 105.87 1xis n GLY 173 Ca 0.05 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1xis n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xis s TYR 174 N -2.74 3.34 -2.51 1.61 2.02 -0.44 -4.99 117.35 113.65 1xis s TYR 174 Ca 0.09 1.55 0.27 0.00 -0.37 0.00 0.00 57.07 58.61 1xis s TYR 174 Cb -0.04 -2.81 0.83 0.00 -0.40 0.00 0.00 41.96 39.54 1xis s TYR 174 CO 0.11 -0.15 1.62 -3.47 -1.57 0.00 0.00 175.55 172.09 1xis n ASP 175 N -0.82 1.75 -4.77 2.29 -0.08 -1.26 -4.78 116.55 108.87 1xis n ASP 175 Ca 0.07 -1.53 -0.35 0.00 -1.51 0.00 0.00 54.79 51.46 1xis n ASP 175 Cb 0.54 0.03 0.01 0.00 2.34 0.00 0.00 41.12 44.03 1xis n ASP 175 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1xis s ILE 176 N -2.06 3.15 0.29 5.18 2.07 -1.26 -5.01 121.20 123.55 1xis s ILE 176 Ca 0.34 0.69 0.09 0.00 -1.41 0.00 0.00 60.65 60.36 1xis s ILE 176 Cb 0.21 -3.26 -0.06 0.00 0.13 0.00 0.00 42.46 39.48 1xis s ILE 176 CO 0.35 -0.18 -0.12 -0.13 -1.91 0.00 0.00 174.94 172.96 1xis s ARG 177 N -3.41 1.62 0.04 3.50 0.52 -0.89 -5.00 118.95 115.34 1xis s ARG 177 Ca 0.72 -1.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.15 1xis s ARG 177 Cb -0.24 -1.44 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 1xis s ARG 177 CO 0.29 0.16 0.11 -0.06 0.02 0.00 0.00 175.30 175.82 1xis s PHE 178 N -2.78 3.31 -0.06 -0.53 0.08 0.03 -0.36 117.98 117.67 1xis s PHE 178 Ca 0.29 0.17 -0.01 0.00 0.12 0.00 0.00 56.93 57.50 1xis s PHE 178 Cb 0.01 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1xis s PHE 178 CO 0.13 0.55 0.01 0.00 -0.10 0.00 0.00 175.22 175.81 1xis s ALA 179 N -1.35 0.54 -0.03 5.36 0.00 -0.25 -0.53 121.76 125.51 1xis s ALA 179 Ca 0.28 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 1xis s ALA 179 Cb -0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1xis s ALA 179 CO 0.20 -0.37 0.54 0.42 0.00 0.00 0.00 175.76 176.55 1xis s ILE 180 N 1.77 4.99 -0.30 0.00 1.01 -0.19 -0.96 121.20 127.52 1xis s ILE 180 Ca 0.01 1.11 -0.08 0.00 0.00 0.00 0.00 60.65 61.70 1xis s ILE 180 Cb -0.13 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.48 1xis s ILE 180 CO -0.04 0.42 0.10 -0.70 0.00 0.00 0.00 174.94 174.73 1xis s GLU 181 N -0.15 3.14 0.60 2.79 2.12 0.22 -1.17 118.70 126.24 1xis s GLU 181 Ca 0.29 -0.83 -0.12 0.00 0.36 0.00 0.00 54.97 54.66 1xis s GLU 181 Cb -0.17 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1xis s GLU 181 CO 0.15 -0.45 1.02 -2.14 -0.54 0.00 0.00 175.26 173.30 1xis s PRO 182 N 1.53 3.65 -0.26 4.30 0.02 -1.26 -4.40 135.00 138.58 1xis s PRO 182 Ca 0.03 0.81 -0.25 0.00 0.02 0.00 0.00 61.00 61.61 1xis s PRO 182 Cb -0.17 -2.09 0.07 0.00 0.02 0.00 0.00 34.50 32.33 1xis s PRO 182 CO 0.04 -0.53 0.72 0.21 -0.33 0.00 0.00 177.00 177.11 1xis s LYS 183 N -4.90 0.85 0.04 5.54 2.20 -1.23 -4.72 119.74 117.52 1xis s LYS 183 Ca 0.56 0.98 -0.01 0.00 -0.36 0.00 0.00 55.97 57.14 1xis s LYS 183 Cb -0.11 0.41 -0.26 0.00 -1.51 0.00 0.00 37.83 36.36 1xis s LYS 183 CO 0.48 -0.11 0.99 -1.00 -0.36 0.00 0.00 175.35 175.35 1xis h PRO 184 N 4.94 0.20 -3.08 4.03 0.13 -1.72 -3.39 132.00 133.10 1xis h PRO 184 Ca -0.29 -0.34 0.05 0.00 -0.87 0.00 0.00 66.00 64.55 1xis h PRO 184 Cb 1.16 0.13 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1xis h PRO 184 CO 0.06 1.08 0.19 0.54 -0.23 0.00 0.00 178.00 179.64 1xis s ASN 185 N -6.92 -0.23 -0.02 1.44 4.22 -1.26 -1.84 114.94 110.33 1xis s ASN 185 Ca -0.06 -0.67 -0.01 0.00 -2.14 0.00 0.00 52.86 49.98 1xis s ASN 185 Cb 0.07 0.72 0.01 0.00 1.28 0.00 0.00 41.25 43.33 1xis s ASN 185 CO 0.85 -1.34 0.03 1.21 -2.04 0.00 0.00 177.10 175.82 1xis n GLU 186 N -0.45 -0.73 0.11 3.55 2.13 -1.26 -4.84 120.64 119.14 1xis n GLU 186 Ca -0.04 0.96 0.12 0.00 0.66 0.00 0.00 57.16 58.86 1xis n GLU 186 Cb 0.59 -1.48 0.10 0.00 0.27 0.00 0.00 31.44 30.93 1xis n GLU 186 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1xis h PRO 187 N 0.63 0.00 -7.17 5.31 0.13 -2.00 -3.50 132.00 125.40 1xis h PRO 187 Ca -0.06 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.57 1xis h PRO 187 Cb 0.14 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.31 1xis h PRO 187 CO 0.00 0.00 0.31 1.03 -0.23 0.00 0.00 178.00 179.12 1xis s ARG 188 N -3.26 3.71 0.21 0.86 1.81 -1.26 -4.98 118.95 116.04 1xis s ARG 188 Ca 0.04 0.68 -0.10 0.00 -1.72 0.00 0.00 55.73 54.63 1xis s ARG 188 Cb 0.10 -2.19 0.28 0.00 -0.45 0.00 0.00 34.95 32.69 1xis s ARG 188 CO 0.74 -0.35 1.74 0.78 -0.68 0.00 0.00 175.30 177.52 1xis h GLY 189 N 0.33 0.83 -5.80 -3.53 0.00 -1.89 -3.41 103.07 89.61 1xis h GLY 189 Ca -0.46 -0.11 -0.31 0.00 0.00 0.00 0.00 47.33 46.46 1xis h GLY 189 CO 0.62 -0.03 -0.74 0.99 0.00 0.00 0.00 176.54 177.37 1xis s ASP 190 N -5.37 0.39 -0.05 0.19 1.01 -0.79 -4.69 116.67 107.36 1xis s ASP 190 Ca -0.13 -0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.06 1xis s ASP 190 Cb 0.17 -0.11 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 1xis s ASP 190 CO 0.74 -0.01 0.08 -0.63 0.21 0.00 0.00 175.17 175.57 1xis s ILE 191 N 0.34 4.87 0.56 0.77 1.01 -0.77 -1.72 121.20 126.26 1xis s ILE 191 Ca -0.03 -0.20 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 1xis s ILE 191 Cb -0.06 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 1xis s ILE 191 CO -0.01 0.47 1.12 -0.76 0.00 0.00 0.00 174.94 175.77 1xis s LEU 192 N -1.38 3.69 -0.91 2.97 1.43 -0.30 -3.82 118.68 120.36 1xis s LEU 192 Ca 0.19 2.13 -0.07 0.00 -1.03 0.00 0.00 54.13 55.36 1xis s LEU 192 Cb -0.12 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 1xis s LEU 192 CO 0.09 -1.26 0.75 0.18 0.23 0.00 0.00 176.35 176.34 1xis n LEU 193 N -1.47 -4.70 0.10 1.79 4.77 -1.26 -4.81 117.00 111.42 1xis n LEU 193 Ca 0.11 -0.59 0.13 0.00 -0.03 0.00 0.00 56.01 55.63 1xis n LEU 193 Cb 0.51 -2.76 0.44 0.00 -2.33 0.00 0.00 43.42 39.28 1xis n LEU 193 CO 0.43 -0.23 0.88 -0.81 -1.33 0.00 0.00 177.39 176.33 1xis n PRO 194 N -2.81 0.22 -4.27 3.23 -0.04 -1.25 -3.91 135.00 126.17 1xis n PRO 194 Ca -0.09 0.25 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 1xis n PRO 194 Cb 0.58 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.15 1xis n PRO 194 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xis s THR 195 N -3.15 0.15 0.24 0.52 -4.23 -1.26 -2.39 115.64 105.51 1xis s THR 195 Ca 0.09 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.54 1xis s THR 195 Cb 0.12 -2.51 0.21 0.00 1.34 0.00 0.00 72.50 71.66 1xis s THR 195 CO 0.53 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 177.06 1xis h VAL 196 N 2.36 1.08 0.04 2.29 2.07 -1.93 -1.96 116.25 120.20 1xis h VAL 196 Ca -0.33 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1xis h VAL 196 Cb 1.25 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1xis h VAL 196 CO 0.49 0.19 -0.07 1.23 0.02 0.00 0.00 177.57 179.43 1xis h GLY 197 N 1.02 -0.11 0.98 2.17 0.00 -1.96 -0.93 103.07 104.23 1xis h GLY 197 Ca 0.36 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.80 1xis h GLY 197 CO -0.15 -0.08 0.64 0.45 0.00 0.00 0.00 176.54 177.41 1xis h HIS 198 N -0.15 1.21 -0.36 5.60 -0.00 -1.74 -1.17 115.15 118.54 1xis h HIS 198 Ca 0.02 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.35 1xis h HIS 198 Cb 0.16 -0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1xis h HIS 198 CO -0.12 0.73 -0.02 0.00 -0.00 0.00 0.00 177.93 178.52 1xis h ALA 199 N 1.41 0.49 -0.68 2.45 0.00 -1.28 -2.13 119.26 119.52 1xis h ALA 199 Ca 0.37 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1xis h ALA 199 Cb -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1xis h ALA 199 CO -0.10 0.28 0.38 -0.07 0.00 0.00 0.00 179.25 179.74 1xis h LEU 200 N 0.46 0.56 -0.64 0.00 3.38 -0.79 -2.11 115.31 116.17 1xis h LEU 200 Ca 0.10 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1xis h LEU 200 Cb 0.49 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1xis h LEU 200 CO 0.02 0.35 0.13 0.00 0.09 0.00 0.00 178.44 179.04 1xis h ALA 201 N 1.36 0.84 -0.56 1.53 0.00 -1.12 -3.06 119.26 118.25 1xis h ALA 201 Ca 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xis h ALA 201 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xis h ALA 201 CO -0.19 0.58 0.28 0.35 0.00 0.00 0.00 179.25 180.26 1xis h PHE 202 N 0.95 0.80 -0.81 0.00 3.57 -1.11 -2.80 116.94 117.54 1xis h PHE 202 Ca 0.20 -0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.80 1xis h PHE 202 Cb 0.39 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 1xis h PHE 202 CO 0.03 0.61 0.53 0.82 -2.23 0.00 0.00 178.31 178.07 1xis h ILE 203 N 0.76 0.82 0.00 1.41 2.04 -1.29 -1.46 117.51 119.80 1xis h ILE 203 Ca 0.19 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1xis h ILE 203 Cb 0.11 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1xis h ILE 203 CO -0.03 0.10 0.00 -0.62 0.00 0.00 0.00 178.15 177.60 1xis n GLU 204 N -4.51 0.07 -0.06 2.37 -0.58 -1.06 -2.05 120.64 114.83 1xis n GLU 204 Ca 0.15 0.35 0.12 0.00 -0.42 0.00 0.00 57.16 57.36 1xis n GLU 204 Cb 0.49 -1.65 0.13 0.00 -0.57 0.00 0.00 31.44 29.84 1xis n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xis n ARG 205 N -1.79 2.31 -1.88 3.49 5.12 -0.55 -4.98 116.66 118.37 1xis n ARG 205 Ca 0.02 -2.00 -0.31 0.00 -1.93 0.00 0.00 57.85 53.64 1xis n ARG 205 Cb 0.17 -1.46 0.02 0.00 -1.16 0.00 0.00 32.46 30.02 1xis n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xis s LEU 206 N -1.80 3.18 0.25 0.55 1.43 -0.87 -4.99 118.68 116.43 1xis s LEU 206 Ca 0.30 1.37 -0.05 0.00 -1.03 0.00 0.00 54.13 54.73 1xis s LEU 206 Cb 0.20 -4.38 0.27 0.00 0.03 0.00 0.00 46.19 42.31 1xis s LEU 206 CO 0.30 -0.94 1.80 -0.33 0.23 0.00 0.00 176.35 177.41 1xis h GLU 207 N -0.37 1.03 -2.64 1.70 4.39 -1.92 -3.34 114.58 113.43 1xis h GLU 207 Ca -0.44 -0.20 -0.60 0.00 0.34 0.00 0.00 59.36 58.46 1xis h GLU 207 Cb 1.20 -0.16 -0.40 0.00 -0.10 0.00 0.00 28.75 29.29 1xis h GLU 207 CO 0.62 0.87 -0.80 0.54 -1.16 0.00 0.00 179.01 179.08 1xis n ARG 208 N -4.28 0.97 0.15 2.33 1.74 -1.26 -4.98 116.66 111.34 1xis n ARG 208 Ca 0.06 -3.77 0.17 0.00 -0.77 0.00 0.00 57.85 53.53 1xis n ARG 208 Cb 0.21 -1.93 0.76 0.00 -1.02 0.00 0.00 32.46 30.47 1xis n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xis h PRO 209 N 5.41 0.00 0.00 5.56 0.11 -1.80 -2.10 132.00 139.18 1xis h PRO 209 Ca 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1xis h PRO 209 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xis h PRO 209 CO 0.53 0.00 -0.01 1.05 -0.21 0.00 0.00 178.00 179.37 1xis h GLU 210 N 0.00 0.00 -0.00 1.05 9.09 -1.93 -2.19 114.58 120.60 1xis h GLU 210 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1xis h GLU 210 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1xis h GLU 210 CO -0.00 0.01 -0.12 1.28 0.05 0.00 0.00 179.01 180.23 1xis n LEU 211 N -3.40 0.36 -4.19 3.06 4.77 -0.79 -4.89 117.00 111.93 1xis n LEU 211 Ca -0.03 0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 1xis n LEU 211 Cb 0.09 -0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 40.79 1xis n LEU 211 CO 0.24 0.07 -0.51 -0.31 -1.33 0.00 0.00 177.39 175.55 1xis s TYR 212 N -2.60 1.67 0.00 -1.77 1.51 -0.82 -0.79 117.35 114.56 1xis s TYR 212 Ca 0.25 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1xis s TYR 212 Cb 0.20 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.98 1xis s TYR 212 CO 0.50 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 175.34 1xis n GLY 213 N 2.51 4.90 3.54 0.71 0.00 0.32 -4.98 105.19 112.18 1xis n GLY 213 Ca -0.15 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 1xis n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xis s VAL 214 N -1.24 2.99 -0.63 1.61 -7.23 -0.29 -1.02 120.40 114.59 1xis s VAL 214 Ca 0.00 -1.82 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 1xis s VAL 214 Cb 0.00 -2.49 0.17 0.00 0.56 0.00 0.00 36.38 34.62 1xis s VAL 214 CO 0.00 -0.16 0.45 0.21 -0.31 0.00 0.00 175.10 175.29 1xis s ASN 215 N -2.93 4.07 0.57 4.85 3.04 -0.32 -2.95 114.94 121.27 1xis s ASN 215 Ca 0.25 -3.64 -0.18 0.00 0.04 0.00 0.00 52.86 49.33 1xis s ASN 215 Cb -0.08 -1.37 -0.05 0.00 -1.54 0.00 0.00 41.25 38.21 1xis s ASN 215 CO 0.14 -0.11 1.08 -2.84 -3.04 0.00 0.00 177.10 172.34 1xis s PRO 216 N -1.06 3.34 -0.07 0.43 0.02 -1.26 -4.33 135.00 132.07 1xis s PRO 216 Ca 0.26 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.70 1xis s PRO 216 Cb -0.04 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1xis s PRO 216 CO -0.16 -0.81 -0.18 -2.00 -0.33 0.00 0.00 177.00 173.52 1xis s GLU 217 N -3.67 2.14 0.15 5.54 2.12 -1.26 -1.07 118.70 122.65 1xis s GLU 217 Ca 0.67 -0.62 -0.31 0.00 0.36 0.00 0.00 54.97 55.07 1xis s GLU 217 Cb -0.19 -1.73 -0.06 0.00 0.26 0.00 0.00 34.13 32.40 1xis s GLU 217 CO 0.31 0.15 1.55 0.28 -0.54 0.00 0.00 175.26 177.01 1xis h VAL 218 N 5.65 0.02 0.00 3.70 2.07 -1.74 -1.67 116.25 124.27 1xis h VAL 218 Ca -0.28 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 1xis h VAL 218 Cb 1.20 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1xis h VAL 218 CO 0.47 0.00 -0.37 1.23 0.02 0.00 0.00 177.57 178.92 1xis h GLY 219 N -0.25 0.00 1.04 2.17 0.00 -1.86 -2.94 103.07 101.23 1xis h GLY 219 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1xis h GLY 219 CO -0.72 0.00 -0.10 0.45 0.00 0.00 0.00 176.54 176.17 1xis h HIS 220 N 0.00 1.03 -0.03 5.60 3.86 -1.65 -1.37 115.15 122.59 1xis h HIS 220 Ca -0.00 -0.21 -0.12 0.00 -1.16 0.00 0.00 60.37 58.87 1xis h HIS 220 Cb 0.67 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1xis h HIS 220 CO 0.00 0.99 -0.54 0.93 0.86 0.00 0.00 177.93 180.17 1xis h GLU 221 N 0.77 0.08 0.00 2.45 4.39 -1.45 -2.16 114.58 118.66 1xis h GLU 221 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1xis h GLU 221 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1xis h GLU 221 CO 0.04 0.60 -0.05 1.96 -1.16 0.00 0.00 179.01 180.40 1xis h GLN 222 N 0.06 0.00 0.00 2.33 4.20 -1.32 -2.04 115.11 118.34 1xis h GLN 222 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xis h GLN 222 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1xis h GLN 222 CO 0.07 0.05 0.00 0.52 -0.67 0.00 0.00 178.83 178.80 1xis h MET 223 N 0.00 0.00 -0.44 1.46 2.86 -0.56 -0.79 114.93 117.46 1xis h MET 223 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xis h MET 223 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1xis h MET 223 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 1xis n ALA 224 N -1.80 2.35 -1.48 6.32 0.00 -0.89 -4.73 120.51 120.28 1xis n ALA 224 Ca 0.03 -1.08 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 1xis n ALA 224 Cb 0.27 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1xis n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xis n GLY 225 N 1.20 1.19 3.94 0.00 0.00 -0.30 -5.01 105.19 106.20 1xis n GLY 225 Ca 0.18 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1xis n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xis s LEU 226 N -3.03 3.53 -0.40 0.99 1.43 -0.82 -4.99 118.68 115.39 1xis s LEU 226 Ca 0.00 0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 53.36 1xis s LEU 226 Cb 0.00 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1xis s LEU 226 CO 0.00 -0.78 0.80 0.21 0.23 0.00 0.00 176.35 176.80 1xis s ASN 227 N -4.22 6.50 0.07 2.29 3.84 -1.26 -4.33 114.94 117.82 1xis s ASN 227 Ca 0.50 0.18 -0.23 0.00 0.21 0.00 0.00 52.86 53.52 1xis s ASN 227 Cb -0.10 -2.40 -0.14 0.00 -0.55 0.00 0.00 41.25 38.06 1xis s ASN 227 CO 0.41 -0.82 1.60 0.15 -2.79 0.00 0.00 177.10 175.65 1xis h PHE 228 N 8.70 0.10 -0.97 0.43 3.57 -1.92 -2.12 116.94 124.72 1xis h PHE 228 Ca -0.25 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.33 1xis h PHE 228 Cb 1.09 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 1xis h PHE 228 CO 0.80 0.22 0.62 -1.35 -2.23 0.00 0.00 178.31 176.37 1xis h PRO 229 N -0.05 1.02 -0.64 6.41 0.11 -1.93 -0.31 132.00 136.61 1xis h PRO 229 Ca 0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1xis h PRO 229 Cb 0.16 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1xis h PRO 229 CO -0.00 0.67 0.36 0.45 -0.21 0.00 0.00 178.00 179.27 1xis h HIS 230 N 1.05 0.87 -0.54 0.65 3.86 -1.92 -0.76 115.15 118.36 1xis h HIS 230 Ca 0.44 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.56 1xis h HIS 230 Cb 0.32 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1xis h HIS 230 CO -0.00 0.61 0.02 0.78 0.86 0.00 0.00 177.93 180.20 1xis h GLY 231 N 0.87 0.98 1.21 2.45 0.00 -0.51 -2.06 103.07 106.00 1xis h GLY 231 Ca 0.23 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1xis h GLY 231 CO -0.04 0.62 -0.04 -2.22 0.00 0.00 0.00 176.54 174.85 1xis h ILE 232 N 0.85 1.26 -0.75 2.60 1.08 -0.88 -1.97 117.51 119.70 1xis h ILE 232 Ca 0.16 -1.15 -0.02 0.00 -0.39 0.00 0.00 64.86 63.46 1xis h ILE 232 Cb 0.47 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1xis h ILE 232 CO 0.02 0.41 0.38 0.00 -0.69 0.00 0.00 178.15 178.27 1xis h ALA 233 N 1.08 0.96 -0.76 1.87 0.00 -0.76 0.10 119.26 121.75 1xis h ALA 233 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1xis h ALA 233 Cb 0.57 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1xis h ALA 233 CO 0.03 0.50 0.29 0.37 0.00 0.00 0.00 179.25 180.44 1xis h GLN 234 N 1.04 1.15 -0.41 0.00 4.15 -1.05 0.30 115.11 120.30 1xis h GLN 234 Ca 0.26 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 1xis h GLN 234 Cb 0.09 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1xis h GLN 234 CO -0.04 0.94 0.09 0.00 -1.93 0.00 0.00 178.83 177.90 1xis h ALA 235 N 1.19 0.54 -0.64 3.38 0.00 -0.95 -1.98 119.26 120.81 1xis h ALA 235 Ca 0.25 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1xis h ALA 235 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xis h ALA 235 CO -0.02 0.23 0.18 -0.07 0.00 0.00 0.00 179.25 179.57 1xis h LEU 236 N 0.52 0.95 -1.25 0.00 3.38 -0.51 -0.59 115.31 117.81 1xis h LEU 236 Ca 0.13 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1xis h LEU 236 Cb 0.33 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1xis h LEU 236 CO 0.00 0.92 0.53 -0.25 0.09 0.00 0.00 178.44 179.73 1xis h TRP 237 N 0.93 0.93 0.00 1.13 7.01 -0.74 -1.53 115.95 123.68 1xis h TRP 237 Ca 0.20 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.23 1xis h TRP 237 Cb 0.32 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 1xis h TRP 237 CO 0.02 0.51 -0.12 0.00 -2.79 0.00 0.00 178.44 176.06 1xis n ALA 238 N -2.42 2.59 -2.46 2.65 0.00 -0.76 -4.92 120.51 115.19 1xis n ALA 238 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 1xis n ALA 238 Cb 0.18 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.24 1xis n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xis n GLY 239 N 1.48 0.27 0.07 0.00 0.00 -0.58 -4.97 105.19 101.46 1xis n GLY 239 Ca 0.06 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.64 1xis n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xis n LYS 240 N -1.78 1.71 -2.83 1.61 4.76 -0.28 -4.92 118.16 116.44 1xis n LYS 240 Ca -0.04 -2.10 -0.43 0.00 -2.87 0.00 0.00 58.31 52.87 1xis n LYS 240 Cb 0.54 -1.26 -0.02 0.00 -1.84 0.00 0.00 35.03 32.45 1xis n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xis s LEU 241 N -2.06 4.64 0.25 -0.35 2.96 -1.24 -1.13 118.68 121.76 1xis s LEU 241 Ca 0.19 -2.06 0.19 0.00 -0.22 0.00 0.00 54.13 52.23 1xis s LEU 241 Cb 0.17 -2.45 0.07 0.00 0.50 0.00 0.00 46.19 44.48 1xis s LEU 241 CO 0.02 -1.13 1.25 -0.26 -1.32 0.00 0.00 176.35 174.91 1xis h PHE 242 N 8.76 0.00 -2.43 5.38 0.04 -1.89 -3.49 116.94 123.31 1xis h PHE 242 Ca 0.20 0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.12 1xis h PHE 242 Cb 0.99 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.05 1xis h PHE 242 CO 1.20 0.27 0.44 -1.58 -0.60 0.00 0.00 178.31 178.04 1xis s HIS 243 N -3.11 -0.20 -0.01 -0.55 2.46 -1.22 -4.89 115.29 107.77 1xis s HIS 243 Ca 0.02 -0.08 -0.13 0.00 0.47 0.00 0.00 55.06 55.34 1xis s HIS 243 Cb 0.08 0.62 0.02 0.00 -0.13 0.00 0.00 32.58 33.17 1xis s HIS 243 CO 0.75 -0.82 0.27 -1.50 -2.47 0.00 0.00 174.74 170.97 1xis s ILE 244 N -3.34 0.07 -0.24 0.89 2.07 -1.26 -4.11 121.20 115.27 1xis s ILE 244 Ca 0.10 -0.55 -0.02 0.00 -1.41 0.00 0.00 60.65 58.77 1xis s ILE 244 Cb -0.02 -0.59 0.02 0.00 0.13 0.00 0.00 42.46 42.00 1xis s ILE 244 CO -0.00 -0.30 -0.07 -1.81 -1.91 0.00 0.00 174.94 170.85 1xis s ASP 245 N -1.40 4.24 -0.16 4.50 1.11 -0.23 -3.54 116.67 121.19 1xis s ASP 245 Ca -0.13 -0.77 -0.06 0.00 0.18 0.00 0.00 52.55 51.76 1xis s ASP 245 Cb -0.05 -1.67 -0.04 0.00 1.07 0.00 0.00 42.92 42.23 1xis s ASP 245 CO 0.03 -0.10 0.06 -0.76 1.18 0.00 0.00 175.17 175.58 1xis s LEU 246 N 1.35 3.83 0.00 1.23 1.43 0.13 -2.10 118.68 124.55 1xis s LEU 246 Ca 0.02 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1xis s LEU 246 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1xis s LEU 246 CO -0.05 0.24 0.00 -0.46 0.23 0.00 0.00 176.35 176.31 1xis n ASN 247 N 3.08 0.00 -4.11 2.29 2.04 -1.26 -2.41 115.26 114.89 1xis n ASN 247 Ca -0.17 -0.48 -0.13 0.00 -0.44 0.00 0.00 54.58 53.36 1xis n ASN 247 Cb 0.53 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.67 1xis n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1xis s GLY 248 N -1.01 0.63 -0.20 4.83 0.00 0.07 -4.46 107.32 107.19 1xis s GLY 248 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.58 1xis s GLY 248 CO 0.00 -1.04 0.52 1.62 0.00 0.00 0.00 173.10 174.21 1xis s GLN 249 N -2.28 0.60 -1.13 2.90 2.00 -1.26 -0.72 119.66 119.76 1xis s GLN 249 Ca -0.02 0.77 -0.07 0.00 -2.00 0.00 0.00 55.36 54.04 1xis s GLN 249 Cb -0.05 0.25 0.27 0.00 0.80 0.00 0.00 33.01 34.28 1xis s GLN 249 CO -0.01 -0.09 1.42 0.09 -0.50 0.00 0.00 175.29 176.20 1xis n ASN 250 N 3.07 5.88 0.00 6.67 3.02 -1.26 -3.48 115.26 129.15 1xis n ASN 250 Ca -0.15 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 1xis n ASN 250 Cb 0.56 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1xis n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xis n GLY 251 N 2.16 -1.10 3.47 7.41 0.00 -1.26 -4.70 105.19 111.18 1xis n GLY 251 Ca 0.28 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1xis n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xis s ILE 252 N 0.00 4.34 0.00 -0.61 1.01 -1.26 -4.44 121.20 120.24 1xis s ILE 252 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1xis s ILE 252 Cb 0.00 -4.65 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1xis s ILE 252 CO 0.00 -1.38 0.00 2.29 0.00 0.00 0.00 174.94 175.85 1xis n LYS 253 N 7.64 0.00 -1.09 2.79 2.85 -1.26 -5.10 118.16 123.99 1xis n LYS 253 Ca -0.03 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.88 1xis n LYS 253 Cb 0.46 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.92 1xis n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xis n TYR 254 N 0.00 -1.19 -2.31 5.58 4.11 -1.26 -4.86 117.16 117.23 1xis n TYR 254 Ca 0.00 0.30 -0.43 0.00 -0.00 0.00 0.00 57.90 57.77 1xis n TYR 254 Cb 0.00 -1.85 -0.02 0.00 -0.00 0.00 0.00 39.34 37.46 1xis n TYR 254 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xis s ASP 255 N -1.64 6.21 0.06 9.48 2.15 -1.26 -4.88 116.67 126.79 1xis s ASP 255 Ca 0.62 0.75 -0.07 0.00 0.43 0.00 0.00 52.55 54.28 1xis s ASP 255 Cb -0.30 -2.54 -0.30 0.00 -0.30 0.00 0.00 42.92 39.48 1xis s ASP 255 CO 0.62 -1.55 1.10 1.56 -0.17 0.00 0.00 175.17 176.73 1xis h GLN 256 N 11.16 0.34 -5.92 4.34 4.20 -1.89 -3.48 115.11 123.86 1xis h GLN 256 Ca -0.28 -0.57 -0.39 0.00 0.06 0.00 0.00 58.65 57.47 1xis h GLN 256 Cb 1.11 0.21 0.10 0.00 0.30 0.00 0.00 27.48 29.20 1xis h GLN 256 CO 1.10 1.27 -0.80 -0.25 -0.67 0.00 0.00 178.83 179.49 1xis n ASP 257 N -3.57 -1.90 -4.73 1.46 8.00 -1.23 -4.68 116.55 109.90 1xis n ASP 257 Ca -0.11 -0.73 -0.29 0.00 0.71 0.00 0.00 54.79 54.38 1xis n ASP 257 Cb 1.04 -4.51 0.14 0.00 -0.02 0.00 0.00 41.12 37.78 1xis n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xis s LEU 258 N -6.61 1.96 0.63 0.64 1.43 0.10 -0.04 118.68 116.80 1xis s LEU 258 Ca 0.06 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 53.93 1xis s LEU 258 Cb -0.03 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 1xis s LEU 258 CO 0.78 -2.65 1.18 0.00 0.23 0.00 0.00 176.35 175.89 1xis s ARG 259 N -5.29 2.77 0.23 1.70 1.70 -1.26 -0.75 118.95 118.06 1xis s ARG 259 Ca 0.64 1.71 -0.32 0.00 -0.47 0.00 0.00 55.73 57.29 1xis s ARG 259 Cb -0.14 -1.92 -0.12 0.00 -0.57 0.00 0.00 34.95 32.19 1xis s ARG 259 CO 0.54 -1.33 1.62 0.34 -1.08 0.00 0.00 175.30 175.38 1xis n PHE 260 N -1.99 2.64 0.00 5.89 7.35 -1.26 -1.54 117.46 128.55 1xis n PHE 260 Ca 0.13 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 1xis n PHE 260 Cb 0.50 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1xis n PHE 260 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xis n GLY 261 N 3.01 2.37 3.68 7.13 0.00 -1.26 -4.47 105.19 115.65 1xis n GLY 261 Ca 0.13 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1xis n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xis s ALA 262 N -1.67 1.01 0.00 4.61 0.00 -0.59 -4.39 121.76 120.73 1xis s ALA 262 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1xis s ALA 262 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1xis s ALA 262 CO 0.00 -3.01 0.00 0.41 0.00 0.00 0.00 175.76 173.16 1xis n GLY 263 N -1.37 1.20 3.47 0.00 0.00 -1.26 -4.17 105.19 103.06 1xis n GLY 263 Ca 0.09 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1xis n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xis s ASP 264 N -4.00 6.21 0.15 1.61 -1.08 -1.23 -4.88 116.67 113.45 1xis s ASP 264 Ca 0.00 -1.00 -0.07 0.00 -0.52 0.00 0.00 52.55 50.95 1xis s ASP 264 Cb 0.00 -2.44 -0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1xis s ASP 264 CO 0.00 -1.47 1.44 0.25 0.52 0.00 0.00 175.17 175.91 1xis h LEU 265 N 11.53 0.78 -1.04 -1.34 5.85 -1.82 -2.14 115.31 127.14 1xis h LEU 265 Ca -0.25 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 57.97 1xis h LEU 265 Cb 1.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1xis h LEU 265 CO 1.20 1.20 -0.02 0.03 -0.34 0.00 0.00 178.44 180.50 1xis h ARG 266 N 0.52 0.66 -0.06 1.25 3.08 -1.94 -1.76 114.38 116.14 1xis h ARG 266 Ca -0.00 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 1xis h ARG 266 Cb 1.18 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1xis h ARG 266 CO 0.12 0.70 -0.34 0.00 -1.07 0.00 0.00 179.97 179.38 1xis h ALA 267 N 1.36 1.33 -0.52 0.04 0.00 -1.90 -1.59 119.26 117.99 1xis h ALA 267 Ca 0.12 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1xis h ALA 267 Cb 0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xis h ALA 267 CO 0.02 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.71 1xis h ALA 268 N 1.56 0.70 0.03 0.00 0.00 -0.71 -1.01 119.26 119.84 1xis h ALA 268 Ca 0.01 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1xis h ALA 268 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1xis h ALA 268 CO 0.05 0.54 -0.10 0.35 0.00 0.00 0.00 179.25 180.09 1xis h PHE 269 N 0.80 -0.25 0.00 0.00 3.57 -0.75 -1.17 116.94 119.13 1xis h PHE 269 Ca 0.14 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1xis h PHE 269 Cb 0.57 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1xis h PHE 269 CO 0.04 -0.15 -0.30 -1.49 -2.23 0.00 0.00 178.31 174.18 1xis h TRP 270 N -0.19 0.00 0.10 0.41 4.06 -1.18 -1.01 115.95 118.14 1xis h TRP 270 Ca 0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 1xis h TRP 270 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1xis h TRP 270 CO -0.15 0.30 -0.05 1.25 -3.56 0.00 0.00 178.44 176.24 1xis h LEU 271 N 0.00 -0.11 -0.86 -4.49 5.85 -0.92 -1.77 115.31 113.02 1xis h LEU 271 Ca -0.00 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1xis h LEU 271 Cb 0.56 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1xis h LEU 271 CO 0.04 0.21 0.45 0.58 -0.34 0.00 0.00 178.44 179.38 1xis h VAL 272 N -0.44 1.25 -0.41 1.05 2.07 -0.98 -0.72 116.25 118.07 1xis h VAL 272 Ca -0.01 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1xis h VAL 272 Cb 0.37 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1xis h VAL 272 CO 0.02 0.29 -0.08 -0.78 0.02 0.00 0.00 177.57 177.05 1xis h ASP 273 N 1.20 -0.33 -0.04 0.57 3.58 -1.12 -1.16 116.42 119.12 1xis h ASP 273 Ca 0.30 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.85 1xis h ASP 273 Cb 0.06 0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 1xis h ASP 273 CO -0.04 -0.12 -0.02 0.25 -2.88 0.00 0.00 179.24 176.43 1xis h LEU 274 N 0.02 0.10 -0.77 2.28 5.85 -0.73 -0.83 115.31 121.23 1xis h LEU 274 Ca 0.20 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1xis h LEU 274 Cb 0.30 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1xis h LEU 274 CO -0.40 0.49 0.44 -0.07 -0.34 0.00 0.00 178.44 178.56 1xis h LEU 275 N -0.30 0.66 -0.16 2.25 3.38 -0.93 -0.67 115.31 119.54 1xis h LEU 275 Ca 0.01 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1xis h LEU 275 Cb 0.46 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1xis h LEU 275 CO 0.01 0.41 -0.85 -0.33 0.09 0.00 0.00 178.44 177.77 1xis h GLU 276 N 0.79 0.69 -0.61 1.13 4.39 -1.19 -1.53 114.58 118.24 1xis h GLU 276 Ca 0.35 -0.61 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 1xis h GLU 276 Cb 0.23 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1xis h GLU 276 CO -0.20 1.22 0.01 0.77 -1.16 0.00 0.00 179.01 179.65 1xis h SER 277 N 0.45 1.05 1.04 1.42 0.02 -0.90 -2.85 113.55 113.78 1xis h SER 277 Ca -0.07 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1xis h SER 277 Cb 1.47 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1xis h SER 277 CO 0.17 1.09 0.00 0.00 -1.14 0.00 0.00 176.83 176.95 1xis n ALA 278 N -2.48 2.18 -3.06 3.77 0.00 -0.28 -4.93 120.51 115.71 1xis n ALA 278 Ca 0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1xis n ALA 278 Cb 0.34 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.40 1xis n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xis n GLY 279 N 1.14 0.17 3.73 0.00 0.00 -0.94 -4.96 105.19 104.32 1xis n GLY 279 Ca 0.06 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1xis n GLY 279 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xis s TYR 280 N -3.17 2.92 -0.16 1.61 5.04 -0.62 -4.88 117.35 118.08 1xis s TYR 280 Ca 0.29 0.53 0.11 0.00 -2.44 0.00 0.00 57.07 55.57 1xis s TYR 280 Cb -0.13 -4.06 0.22 0.00 0.35 0.00 0.00 41.96 38.33 1xis s TYR 280 CO 0.38 -3.88 1.14 -1.13 -1.34 0.00 0.00 175.55 170.71 1xis n SER 281 N 3.54 2.45 -3.71 4.32 3.41 -1.26 -4.92 113.62 117.45 1xis n SER 281 Ca 0.13 -2.59 -0.19 0.00 -0.26 0.00 0.00 58.87 55.96 1xis n SER 281 Cb 0.37 -0.27 0.12 0.00 -0.26 0.00 0.00 64.21 64.16 1xis n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xis n GLY 282 N -0.82 -0.17 3.75 5.00 0.00 -1.26 -5.03 105.19 106.66 1xis n GLY 282 Ca 0.10 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 1xis n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xis s PRO 283 N -4.72 3.07 -0.81 1.61 0.02 -1.26 -4.96 135.00 127.94 1xis s PRO 283 Ca 0.52 1.98 -0.13 0.00 0.02 0.00 0.00 61.00 63.39 1xis s PRO 283 Cb -0.02 -2.08 0.21 0.00 0.02 0.00 0.00 34.50 32.63 1xis s PRO 283 CO 0.36 -1.17 0.73 1.03 -0.33 0.00 0.00 177.00 177.62 1xis s ARG 284 N -3.12 3.49 -0.07 5.54 3.00 -0.23 -4.41 118.95 123.16 1xis s ARG 284 Ca 0.75 -2.49 -0.14 0.00 0.00 0.00 0.00 55.73 53.85 1xis s ARG 284 Cb -0.34 -4.35 -0.05 0.00 0.00 0.00 0.00 34.95 30.21 1xis s ARG 284 CO 0.39 -1.28 0.35 -1.58 0.00 0.00 0.00 175.30 173.18 1xis s HIS 285 N 0.11 3.62 -0.24 -0.53 2.46 -1.23 -1.40 115.29 118.08 1xis s HIS 285 Ca 0.18 0.82 -0.05 0.00 0.47 0.00 0.00 55.06 56.48 1xis s HIS 285 Cb -0.11 -2.29 -0.01 0.00 -0.13 0.00 0.00 32.58 30.04 1xis s HIS 285 CO -0.08 0.50 0.01 -0.06 -2.47 0.00 0.00 174.74 172.64 1xis s PHE 286 N -0.49 3.03 -0.59 3.88 0.08 -0.28 0.17 117.98 123.78 1xis s PHE 286 Ca 0.21 -0.81 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 1xis s PHE 286 Cb -0.15 -2.17 0.15 0.00 -0.57 0.00 0.00 43.02 40.28 1xis s PHE 286 CO 0.09 -0.50 0.42 0.34 -0.10 0.00 0.00 175.22 175.47 1xis s ASP 287 N 1.52 5.46 0.21 1.36 2.15 -1.01 -3.56 116.67 122.79 1xis s ASP 287 Ca 0.05 -2.58 0.00 0.00 0.43 0.00 0.00 52.55 50.46 1xis s ASP 287 Cb -0.15 -1.91 -0.04 0.00 -0.30 0.00 0.00 42.92 40.52 1xis s ASP 287 CO -0.00 -0.46 0.10 0.72 -0.17 0.00 0.00 175.17 175.36 1xis s PHE 288 N 0.35 1.28 -0.11 -5.34 -0.71 -1.26 -4.65 117.98 107.53 1xis s PHE 288 Ca 0.14 -1.26 -0.01 0.00 -1.04 0.00 0.00 56.93 54.76 1xis s PHE 288 Cb -0.20 -0.69 0.03 0.00 -1.21 0.00 0.00 43.02 40.94 1xis s PHE 288 CO -0.04 -0.48 -0.04 0.15 -1.34 0.00 0.00 175.22 173.48 1xis s LYS 289 N -4.08 1.13 0.24 1.99 1.02 0.94 -4.42 119.74 116.57 1xis s LYS 289 Ca 0.36 -0.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.88 1xis s LYS 289 Cb 0.07 -1.43 -0.12 0.00 -0.52 0.00 0.00 37.83 35.84 1xis s LYS 289 CO 0.11 -0.32 1.66 -2.14 -0.92 0.00 0.00 175.35 173.74 1xis s PRO 290 N 1.81 4.13 0.55 -1.68 0.02 -1.26 -4.70 135.00 133.86 1xis s PRO 290 Ca 0.04 2.58 -0.20 0.00 0.02 0.00 0.00 61.00 63.44 1xis s PRO 290 Cb -0.13 -3.06 -0.07 0.00 0.02 0.00 0.00 34.50 31.27 1xis s PRO 290 CO -0.07 -0.69 0.95 -2.30 -0.33 0.00 0.00 177.00 174.56 1xis n PRO 291 N 3.17 1.02 0.00 5.54 -0.02 -1.26 -4.85 135.00 138.59 1xis n PRO 291 Ca 0.12 0.38 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1xis n PRO 291 Cb 0.36 -2.12 0.25 0.00 -0.02 0.00 0.00 33.50 31.98 1xis n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xis n ARG 292 N -0.63 0.09 0.25 -0.52 1.85 -1.26 -1.67 116.66 114.76 1xis n ARG 292 Ca 0.12 0.24 0.16 0.00 -1.00 0.00 0.00 57.85 57.38 1xis n ARG 292 Cb 0.45 -1.50 0.68 0.00 -1.05 0.00 0.00 32.46 31.04 1xis n ARG 292 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xis h THR 293 N 0.00 0.00 -3.03 8.89 1.35 -1.98 -3.45 112.91 114.69 1xis h THR 293 Ca 0.00 -0.40 -0.56 0.00 -0.55 0.00 0.00 66.41 64.90 1xis h THR 293 Cb 0.13 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 1xis h THR 293 CO 0.00 0.00 -0.31 -1.61 -0.25 0.00 0.00 175.52 173.35 1xis s GLU 294 N -3.62 3.57 0.01 4.72 0.41 -0.67 -5.11 118.70 118.01 1xis s GLU 294 Ca 0.01 -0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.38 1xis s GLU 294 Cb 0.09 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1xis s GLU 294 CO 0.49 0.42 0.02 -0.40 -0.49 0.00 0.00 175.26 175.30 1xis n ASP 295 N -0.32 0.03 -0.26 -0.19 5.68 -1.26 -4.86 116.55 115.36 1xis n ASP 295 Ca -0.03 -1.02 0.01 0.00 -0.50 0.00 0.00 54.79 53.24 1xis n ASP 295 Cb 0.53 -0.01 0.22 0.00 -1.14 0.00 0.00 41.12 40.71 1xis n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1xis h PHE 296 N -0.37 1.03 -0.91 2.11 0.04 -1.99 -1.48 116.94 115.36 1xis h PHE 296 Ca -0.01 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1xis h PHE 296 Cb 0.02 -0.35 -0.07 0.00 2.20 0.00 0.00 35.95 37.76 1xis h PHE 296 CO 0.00 0.63 0.57 -0.44 -0.60 0.00 0.00 178.31 178.47 1xis h ASP 297 N 1.10 0.88 0.29 2.17 3.32 -2.00 -2.10 116.42 120.08 1xis h ASP 297 Ca 0.31 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.26 1xis h ASP 297 Cb -0.08 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1xis h ASP 297 CO -0.08 0.55 -0.51 1.23 -1.72 0.00 0.00 179.24 178.71 1xis h GLY 298 N 1.01 0.27 0.67 2.75 0.00 -1.66 -1.83 103.07 104.27 1xis h GLY 298 Ca 0.40 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1xis h GLY 298 CO -0.19 0.27 -0.26 -2.08 0.00 0.00 0.00 176.54 174.28 1xis h VAL 299 N 0.20 0.45 0.00 4.60 2.07 -0.68 -0.56 116.25 122.32 1xis h VAL 299 Ca 0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1xis h VAL 299 Cb 0.97 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1xis h VAL 299 CO 0.08 0.00 -0.43 -0.50 0.02 0.00 0.00 177.57 176.74 1xis h TRP 300 N -0.52 0.00 -0.64 1.57 4.06 -1.26 -1.37 115.95 117.78 1xis h TRP 300 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 1xis h TRP 300 Cb 0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1xis h TRP 300 CO -0.19 0.43 0.05 0.00 -3.56 0.00 0.00 178.44 175.17 1xis h ALA 301 N 1.57 0.87 -0.31 1.49 0.00 -1.18 -0.50 119.26 121.21 1xis h ALA 301 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1xis h ALA 301 Cb 0.80 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xis h ALA 301 CO 0.06 0.67 0.08 1.03 0.00 0.00 0.00 179.25 181.09 1xis h SER 302 N 1.01 0.47 -0.25 0.00 0.87 -0.74 -0.97 113.55 113.94 1xis h SER 302 Ca 0.19 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1xis h SER 302 Cb 0.51 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1xis h SER 302 CO 0.02 0.58 0.15 0.00 -0.53 0.00 0.00 176.83 177.05 1xis h ALA 303 N 0.91 0.32 -0.67 6.23 0.00 -1.17 -2.19 119.26 122.70 1xis h ALA 303 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1xis h ALA 303 Cb 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1xis h ALA 303 CO 0.00 -0.17 0.44 0.00 0.00 0.00 0.00 179.25 179.52 1xis h ALA 304 N 1.04 1.60 0.00 0.00 0.00 -0.99 -2.34 119.26 118.57 1xis h ALA 304 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xis h ALA 304 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xis h ALA 304 CO -0.02 0.34 -0.26 0.78 0.00 0.00 0.00 179.25 180.10 1xis h GLY 305 N 0.83 0.00 0.61 0.00 0.00 -0.71 -1.34 103.07 102.45 1xis h GLY 305 Ca 0.26 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1xis h GLY 305 CO -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.44 1xis h MET 307 N 0.04 0.71 -0.30 0.00 2.86 -1.41 -2.75 114.93 114.07 1xis h MET 307 Ca 0.11 -0.55 0.05 0.00 -2.06 0.00 0.00 59.70 57.24 1xis h MET 307 Cb 0.15 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 1xis h MET 307 CO -0.20 1.17 0.01 -0.09 1.06 0.00 0.00 176.91 178.86 1xis h ARG 308 N 0.41 0.11 -0.86 1.72 2.43 -1.16 -1.40 114.38 115.63 1xis h ARG 308 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xis h ARG 308 Cb 1.27 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1xis h ARG 308 CO 0.13 0.07 0.55 -0.91 -1.51 0.00 0.00 179.97 178.30 1xis h ASN 309 N 0.11 1.00 -0.54 -3.80 2.35 -1.10 -0.10 115.58 113.50 1xis h ASN 309 Ca 0.15 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1xis h ASN 309 Cb 0.19 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1xis h ASN 309 CO -0.23 0.75 0.32 0.22 -1.65 0.00 0.00 177.43 176.83 1xis h TYR 310 N 1.17 0.59 -0.14 1.19 5.03 -1.16 -1.35 116.97 122.29 1xis h TYR 310 Ca 0.31 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.53 1xis h TYR 310 Cb -0.10 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 37.98 1xis h TYR 310 CO -0.01 0.32 -0.40 -0.07 -1.32 0.00 0.00 178.16 176.68 1xis h LEU 311 N 0.62 0.34 -0.05 2.82 3.38 -0.52 -0.59 115.31 121.30 1xis h LEU 311 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1xis h LEU 311 Cb 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xis h LEU 311 CO -0.11 0.71 0.01 0.40 0.09 0.00 0.00 178.44 179.53 1xis h ILE 312 N 0.27 1.22 -0.78 1.22 2.04 -0.88 -2.02 117.51 118.58 1xis h ILE 312 Ca 0.02 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.25 1xis h ILE 312 Cb 0.83 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1xis h ILE 312 CO 0.07 0.18 0.51 -0.07 0.00 0.00 0.00 178.15 178.84 1xis h LEU 313 N -0.17 0.82 -0.35 1.44 3.38 -1.03 -1.50 115.31 117.90 1xis h LEU 313 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xis h LEU 313 Cb 0.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xis h LEU 313 CO 0.00 0.56 0.20 0.50 0.09 0.00 0.00 178.44 179.80 1xis h LYS 314 N 0.95 0.49 -0.23 1.13 3.64 -0.98 0.15 116.57 121.72 1xis h LYS 314 Ca 0.31 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1xis h LYS 314 Cb 0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1xis h LYS 314 CO -0.09 0.39 0.08 1.49 -2.27 0.00 0.00 179.45 179.05 1xis h GLU 315 N 0.45 0.19 -0.76 1.90 4.81 -0.85 -1.44 114.58 118.89 1xis h GLU 315 Ca 0.13 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1xis h GLU 315 Cb 0.03 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1xis h GLU 315 CO -0.02 0.12 0.26 0.00 -0.73 0.00 0.00 179.01 178.64 1xis h ARG 316 N 0.19 1.16 -0.43 1.92 2.47 -0.99 -1.13 114.38 117.57 1xis h ARG 316 Ca 0.10 -0.24 -0.12 0.00 -1.26 0.00 0.00 59.98 58.47 1xis h ARG 316 Cb 0.06 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1xis h ARG 316 CO -0.10 0.97 -0.20 0.00 0.56 0.00 0.00 179.97 181.21 1xis h ALA 317 N 1.15 0.84 -0.52 0.04 0.00 -0.61 -1.19 119.26 118.96 1xis h ALA 317 Ca 0.25 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1xis h ALA 317 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xis h ALA 317 CO -0.01 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.94 1xis h ALA 318 N 1.03 0.70 -0.69 0.00 0.00 -1.05 -1.81 119.26 117.44 1xis h ALA 318 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1xis h ALA 318 Cb 0.72 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xis h ALA 318 CO 0.06 0.46 0.28 0.00 0.00 0.00 0.00 179.25 180.05 1xis h ALA 319 N 0.97 0.89 -0.16 0.00 0.00 -1.07 -1.56 119.26 118.33 1xis h ALA 319 Ca 0.15 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xis h ALA 319 Cb 0.45 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1xis h ALA 319 CO 0.02 0.50 -0.01 0.35 0.00 0.00 0.00 179.25 180.11 1xis h PHE 320 N 0.97 -0.02 0.00 0.00 3.57 -0.95 -2.38 116.94 118.13 1xis h PHE 320 Ca 0.23 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1xis h PHE 320 Cb 0.19 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1xis h PHE 320 CO 0.01 -0.03 -0.38 0.00 -2.23 0.00 0.00 178.31 175.68 1xis h ARG 321 N 0.04 0.00 -0.00 1.11 2.47 -1.13 -2.99 114.38 113.88 1xis h ARG 321 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1xis h ARG 321 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1xis h ARG 321 CO -0.14 0.38 -0.36 0.00 0.56 0.00 0.00 179.97 180.41 1xis n ALA 322 N -2.32 3.25 -2.41 0.04 0.00 -0.60 -4.75 120.51 113.72 1xis n ALA 322 Ca -0.01 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1xis n ALA 322 Cb 0.50 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1xis n ALA 322 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xis s ASP 323 N -2.86 7.00 0.44 0.00 -1.08 -0.91 -4.91 116.67 114.35 1xis s ASP 323 Ca 0.15 1.86 0.11 0.00 -0.52 0.00 0.00 52.55 54.15 1xis s ASP 323 Cb 0.18 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 40.08 1xis s ASP 323 CO 0.63 -0.63 2.04 -0.65 0.52 0.00 0.00 175.17 177.09 1xis h PRO 324 N 7.60 0.40 -0.09 4.34 0.11 -1.90 -0.47 132.00 141.99 1xis h PRO 324 Ca -0.34 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.64 1xis h PRO 324 Cb 1.16 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1xis h PRO 324 CO 0.89 0.26 -0.42 1.49 -0.21 0.00 0.00 178.00 180.02 1xis h GLU 325 N 0.41 0.21 -0.12 1.05 4.81 -1.95 -1.46 114.58 117.53 1xis h GLU 325 Ca 0.17 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1xis h GLU 325 Cb 0.18 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xis h GLU 325 CO -0.04 0.59 -0.26 0.28 -0.73 0.00 0.00 179.01 178.85 1xis h VAL 326 N 0.18 1.38 -0.94 0.32 2.07 -1.40 -1.79 116.25 116.07 1xis h VAL 326 Ca 0.02 -1.55 0.11 0.00 0.82 0.00 0.00 66.70 66.09 1xis h VAL 326 Cb 0.81 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 1xis h VAL 326 CO 0.06 0.46 0.60 1.56 0.02 0.00 0.00 177.57 180.27 1xis h GLN 327 N -0.03 0.90 -0.47 1.57 4.20 -1.04 0.10 115.11 120.34 1xis h GLN 327 Ca 0.00 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1xis h GLN 327 Cb 0.86 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1xis h GLN 327 CO 0.06 0.59 0.05 1.49 -0.67 0.00 0.00 178.83 180.35 1xis h GLU 328 N 0.92 0.80 -0.30 1.46 4.81 -1.23 -2.60 114.58 118.44 1xis h GLU 328 Ca 0.44 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1xis h GLU 328 Cb 0.44 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1xis h GLU 328 CO -0.21 0.82 -0.16 0.00 -0.73 0.00 0.00 179.01 178.74 1xis h ALA 329 N 0.94 1.18 -0.79 2.92 0.00 -0.35 -0.70 119.26 122.45 1xis h ALA 329 Ca 0.14 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1xis h ALA 329 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1xis h ALA 329 CO 0.02 0.52 0.31 -0.07 0.00 0.00 0.00 179.25 180.03 1xis h LEU 330 N 0.47 1.10 -0.66 0.00 3.38 -0.70 -0.66 115.31 118.25 1xis h LEU 330 Ca 0.08 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1xis h LEU 330 Cb 0.55 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xis h LEU 330 CO 0.04 0.98 -0.44 0.03 0.09 0.00 0.00 178.44 179.13 1xis h ARG 331 N 1.16 0.53 -0.23 1.13 3.08 -1.06 -1.43 114.38 117.55 1xis h ARG 331 Ca 0.26 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1xis h ARG 331 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1xis h ARG 331 CO -0.02 0.87 0.11 0.00 -1.07 0.00 0.00 179.97 179.85 1xis h ALA 332 N 1.09 1.76 -0.39 0.04 0.00 -0.50 -1.76 119.26 119.49 1xis h ALA 332 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xis h ALA 332 Cb 0.95 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xis h ALA 332 CO 0.08 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.97 1xis n SER 333 N -4.46 2.61 -2.48 0.00 7.64 -0.31 -4.79 113.62 111.83 1xis n SER 333 Ca 0.00 -1.92 -0.19 0.00 1.01 0.00 0.00 58.87 57.77 1xis n SER 333 Cb 0.11 -0.26 0.02 0.00 -1.01 0.00 0.00 64.21 63.07 1xis n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xis n ARG 334 N 0.93 -3.47 0.23 1.43 3.00 -0.66 -4.91 116.66 113.21 1xis n ARG 334 Ca 0.17 0.82 0.07 0.00 -0.01 0.00 0.00 57.85 58.90 1xis n ARG 334 Cb 0.44 -5.40 0.56 0.00 0.00 0.00 0.00 32.46 28.06 1xis n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xis h LEU 335 N -0.87 0.00 -0.94 0.55 -0.00 -1.51 -1.91 115.31 110.64 1xis h LEU 335 Ca -0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.33 1xis h LEU 335 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 1xis h LEU 335 CO 0.50 0.16 -0.24 -2.24 -0.00 0.00 0.00 178.44 176.61 1xis h ASP 336 N 0.00 0.49 0.83 -0.43 2.03 -1.88 -2.93 116.42 114.53 1xis h ASP 336 Ca -0.00 -0.17 -0.13 0.00 -0.73 0.00 0.00 57.03 56.00 1xis h ASP 336 Cb 0.30 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 1xis h ASP 336 CO 0.02 0.74 -0.62 -0.33 -1.03 0.00 0.00 179.24 178.02 1xis h GLU 337 N 0.44 0.00 0.00 4.15 5.08 -1.75 -2.86 114.58 119.64 1xis h GLU 337 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1xis h GLU 337 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xis h GLU 337 CO 0.05 0.62 -0.11 1.25 -1.00 0.00 0.00 179.01 179.82 1xis h LEU 338 N 0.00 0.00 -0.19 1.33 5.85 -1.22 -2.41 115.31 118.67 1xis h LEU 338 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xis h LEU 338 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1xis h LEU 338 CO 0.08 0.11 -0.09 0.00 -0.34 0.00 0.00 178.44 178.20 1xis n ALA 339 N -2.45 2.72 -2.61 1.25 0.00 -1.08 -4.82 120.51 113.51 1xis n ALA 339 Ca -0.03 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1xis n ALA 339 Cb 0.19 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 1xis n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xis s ARG 340 N -2.48 3.73 0.40 0.00 0.52 -0.91 -5.05 118.95 115.17 1xis s ARG 340 Ca 0.29 0.13 -0.26 0.00 -0.52 0.00 0.00 55.73 55.38 1xis s ARG 340 Cb 0.20 -3.02 -0.10 0.00 0.52 0.00 0.00 34.95 32.55 1xis s ARG 340 CO 0.47 0.58 1.30 -2.30 0.02 0.00 0.00 175.30 175.37 1xis n PRO 341 N 0.97 2.05 -0.11 3.54 -0.02 -1.26 -4.91 135.00 135.26 1xis n PRO 341 Ca -0.09 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1xis n PRO 341 Cb 0.52 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1xis n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xis h THR 342 N 2.26 1.21 -1.12 3.45 2.02 -1.94 -3.40 112.91 115.39 1xis h THR 342 Ca -0.48 -0.70 -0.40 0.00 0.77 0.00 0.00 66.41 65.60 1xis h THR 342 Cb 1.29 1.03 -0.28 0.00 -1.74 0.00 0.00 68.15 68.44 1xis h THR 342 CO 0.61 0.24 -0.84 0.00 0.37 0.00 0.00 175.52 175.89 1xis n ALA 343 N -2.31 0.74 0.30 6.16 0.00 -1.26 -4.92 120.51 119.21 1xis n ALA 343 Ca -0.01 -2.52 0.19 0.00 0.00 0.00 0.00 53.44 51.10 1xis n ALA 343 Cb 0.18 -1.04 0.87 0.00 0.00 0.00 0.00 19.45 19.46 1xis n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xis h ALA 344 N 3.82 1.00 0.00 0.00 0.00 -1.99 -1.67 119.26 120.43 1xis h ALA 344 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xis h ALA 344 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xis h ALA 344 CO 0.39 0.00 -0.11 0.38 0.00 0.00 0.00 179.25 179.91 1xis h ASP 345 N 0.00 0.00 -4.95 0.00 2.03 -1.96 -3.49 116.42 108.05 1xis h ASP 345 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xis h ASP 345 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1xis h ASP 345 CO 0.00 0.11 0.00 0.61 -1.03 0.00 0.00 179.24 178.93 1xis n GLY 346 N -0.48 1.11 0.05 7.15 0.00 -0.63 -4.44 105.19 107.95 1xis n GLY 346 Ca -0.01 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 1xis n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xis h LEU 347 N 0.00 0.03 -0.60 0.99 6.46 -1.95 -1.73 115.31 118.51 1xis h LEU 347 Ca 0.00 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1xis h LEU 347 Cb 0.00 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 1xis h LEU 347 CO 0.00 0.02 0.38 1.56 -0.62 0.00 0.00 178.44 179.78 1xis h GLN 348 N 0.03 0.73 -0.84 1.25 1.08 -1.99 0.68 115.11 116.04 1xis h GLN 348 Ca 0.01 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1xis h GLN 348 Cb 0.00 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 1xis h GLN 348 CO -0.00 0.48 0.55 0.00 -0.95 0.00 0.00 178.83 178.91 1xis h ALA 349 N 1.25 1.06 -0.43 3.87 0.00 -1.74 -0.44 119.26 122.83 1xis h ALA 349 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xis h ALA 349 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1xis h ALA 349 CO -0.09 0.47 0.24 1.25 0.00 0.00 0.00 179.25 181.11 1xis h LEU 350 N 1.13 0.53 -1.36 0.00 5.85 -0.79 -1.33 115.31 119.35 1xis h LEU 350 Ca 0.31 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1xis h LEU 350 Cb -0.13 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1xis h LEU 350 CO -0.07 0.47 0.42 -0.07 -0.34 0.00 0.00 178.44 178.86 1xis h LEU 351 N 0.56 0.75 -0.01 2.25 3.38 -0.29 -2.72 115.31 119.22 1xis h LEU 351 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xis h LEU 351 Cb 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1xis h LEU 351 CO -0.02 0.55 -0.25 0.47 0.09 0.00 0.00 178.44 179.28 1xis n ASP 352 N -4.43 0.26 -4.57 -0.43 8.00 -0.23 -4.83 116.55 110.32 1xis n ASP 352 Ca 0.07 0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.25 1xis n ASP 352 Cb 0.04 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1xis n ASP 352 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xis s ASP 353 N -2.98 6.38 0.55 -2.24 2.15 -0.53 -4.88 116.67 115.11 1xis s ASP 353 Ca 0.13 -0.04 0.32 0.00 0.43 0.00 0.00 52.55 53.40 1xis s ASP 353 Cb 0.18 -2.55 1.54 0.00 -0.30 0.00 0.00 42.92 41.79 1xis s ASP 353 CO 0.61 -1.57 2.07 0.03 -0.17 0.00 0.00 175.17 176.14 1xis h ARG 354 N 9.66 0.00 0.00 4.34 3.08 -1.88 -1.93 114.38 127.66 1xis h ARG 354 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xis h ARG 354 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1xis h ARG 354 CO 1.21 0.07 0.00 0.66 -1.07 0.00 0.00 179.97 180.84 1xis h SER 355 N 0.00 0.00 0.83 7.04 4.64 -1.90 0.44 113.55 124.60 1xis h SER 355 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xis h SER 355 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1xis h SER 355 CO 0.01 0.00 -0.33 0.00 -0.87 0.00 0.00 176.83 175.64 1xis n ALA 356 N -1.94 2.93 -0.13 5.18 0.00 -0.73 -3.91 120.51 121.92 1xis n ALA 356 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xis n ALA 356 Cb 0.33 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1xis n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xis n PHE 357 N -1.71 -1.51 -0.35 0.00 7.35 -1.07 -4.83 117.46 115.33 1xis n PHE 357 Ca 0.05 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.81 1xis n PHE 357 Cb 0.37 0.44 0.23 0.00 0.35 0.00 0.00 39.48 40.87 1xis n PHE 357 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1xis h GLU 358 N 0.00 0.93 -0.16 -4.13 3.07 -1.77 -2.76 114.58 109.77 1xis h GLU 358 Ca 0.00 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1xis h GLU 358 Cb 0.00 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 1xis h GLU 358 CO 0.00 0.62 -0.01 0.39 -1.40 0.00 0.00 179.01 178.60 1xis n GLU 359 N -4.64 2.20 -2.71 2.33 1.02 0.15 -5.00 120.64 113.99 1xis n GLU 359 Ca 0.19 -2.77 -0.42 0.00 -0.02 0.00 0.00 57.16 54.14 1xis n GLU 359 Cb 0.36 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1xis n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1xis s PHE 360 N -2.88 3.63 -0.76 -0.32 5.36 -1.04 -4.83 117.98 117.14 1xis s PHE 360 Ca 0.38 1.68 -0.20 0.00 -0.96 0.00 0.00 56.93 57.83 1xis s PHE 360 Cb 0.32 -3.13 0.11 0.00 -0.34 0.00 0.00 43.02 39.98 1xis s PHE 360 CO 0.06 -0.04 0.98 0.34 -1.46 0.00 0.00 175.22 175.09 1xis s ASP 361 N 1.02 6.38 0.21 6.13 -1.08 -1.26 -4.88 116.67 123.19 1xis s ASP 361 Ca 0.51 -1.55 -0.06 0.00 -0.52 0.00 0.00 52.55 50.93 1xis s ASP 361 Cb -0.21 -2.38 0.17 0.00 -1.46 0.00 0.00 42.92 39.04 1xis s ASP 361 CO 0.26 -1.21 1.69 0.58 0.52 0.00 0.00 175.17 177.01 1xis h VAL 362 N 5.88 1.26 -0.46 1.11 2.07 -1.97 -2.62 116.25 121.52 1xis h VAL 362 Ca -0.10 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.19 1xis h VAL 362 Cb 1.05 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1xis h VAL 362 CO 1.13 0.40 -0.23 0.44 0.02 0.00 0.00 177.57 179.32 1xis h ASP 363 N 0.90 0.97 -0.35 0.57 3.32 -1.99 -0.30 116.42 119.55 1xis h ASP 363 Ca 0.17 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1xis h ASP 363 Cb 0.51 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1xis h ASP 363 CO 0.03 1.15 0.05 0.00 -1.72 0.00 0.00 179.24 178.75 1xis h ALA 364 N 0.91 0.47 -0.64 3.45 0.00 -1.96 -1.96 119.26 119.53 1xis h ALA 364 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1xis h ALA 364 Cb 0.80 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1xis h ALA 364 CO 0.07 0.17 0.21 0.00 0.00 0.00 0.00 179.25 179.70 1xis h ALA 365 N 0.90 0.83 -0.00 0.00 0.00 -1.40 -2.79 119.26 116.80 1xis h ALA 365 Ca 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1xis h ALA 365 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xis h ALA 365 CO 0.01 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.59 1xis h ALA 366 N 1.08 1.72 0.00 0.00 0.00 -0.88 -2.69 119.26 118.49 1xis h ALA 366 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xis h ALA 366 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xis h ALA 366 CO -0.01 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1xis n ALA 367 N -2.51 2.09 -2.20 0.00 0.00 -0.75 -4.78 120.51 112.37 1xis n ALA 367 Ca -0.02 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1xis n ALA 367 Cb 0.23 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1xis n ALA 367 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xis s ARG 368 N -3.10 3.97 0.52 0.00 3.52 -1.02 -5.00 118.95 117.83 1xis s ARG 368 Ca 0.10 1.70 -0.20 0.00 -0.13 0.00 0.00 55.73 57.20 1xis s ARG 368 Cb 0.13 -3.95 -0.07 0.00 -1.56 0.00 0.00 34.95 29.50 1xis s ARG 368 CO 0.49 -1.08 1.09 0.20 -0.81 0.00 0.00 175.30 175.20 1xis s GLY 369 N 3.44 2.58 0.14 8.12 0.00 -1.26 -4.96 107.32 115.38 1xis s GLY 369 Ca 0.66 0.72 0.25 0.00 0.00 0.00 0.00 44.72 46.36 1xis s GLY 369 CO 0.26 1.06 1.57 1.03 0.00 0.00 0.00 173.10 177.02 1xis n MET 370 N -1.15 0.24 -3.26 2.90 0.00 -1.26 -4.95 117.12 109.63 1xis n MET 370 Ca 0.11 0.13 -0.24 0.00 0.00 0.00 0.00 57.70 57.70 1xis n MET 370 Cb 0.52 -1.71 0.02 0.00 0.00 0.00 0.00 33.22 32.05 1xis n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xis n ALA 371 N -1.76 -1.06 0.13 3.04 0.00 -1.26 -4.21 120.51 115.39 1xis n ALA 371 Ca 0.05 0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.68 1xis n ALA 371 Cb 0.42 -3.63 0.15 0.00 0.00 0.00 0.00 19.45 16.39 1xis n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xis h PHE 372 N -1.37 0.02 -0.36 0.00 0.04 -1.96 -2.99 116.94 110.31 1xis h PHE 372 Ca -0.50 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.11 1xis h PHE 372 Cb 1.34 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.48 1xis h PHE 372 CO 0.59 0.65 -0.37 0.93 -0.60 0.00 0.00 178.31 179.51 1xis h GLU 373 N 0.01 0.85 -0.38 1.51 4.39 -1.99 -0.19 114.58 118.79 1xis h GLU 373 Ca -0.01 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1xis h GLU 373 Cb 1.15 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1xis h GLU 373 CO 0.08 1.08 0.18 -0.09 -1.16 0.00 0.00 179.01 179.11 1xis h ARG 374 N 0.70 0.54 -0.83 2.33 2.43 -1.97 -0.81 114.38 116.77 1xis h ARG 374 Ca 0.06 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1xis h ARG 374 Cb 0.94 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 1xis h ARG 374 CO 0.09 0.47 0.54 1.25 -1.51 0.00 0.00 179.97 180.81 1xis h LEU 375 N 0.47 0.91 -0.89 3.80 5.85 -1.37 -1.13 115.31 122.95 1xis h LEU 375 Ca 0.13 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1xis h LEU 375 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1xis h LEU 375 CO -0.02 0.64 -0.55 -0.78 -0.34 0.00 0.00 178.44 177.39 1xis h ASP 376 N 1.07 0.02 0.06 1.25 3.58 -0.60 -1.64 116.42 120.16 1xis h ASP 376 Ca 0.32 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.62 1xis h ASP 376 Cb -0.04 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1xis h ASP 376 CO -0.10 0.56 -0.50 -0.61 -2.88 0.00 0.00 179.24 175.71 1xis h GLN 377 N 0.01 0.50 -0.87 0.28 5.75 -0.75 -0.81 115.11 119.23 1xis h GLN 377 Ca -0.00 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 1xis h GLN 377 Cb 0.98 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 1xis h GLN 377 CO 0.07 0.89 0.51 -0.07 -2.65 0.00 0.00 178.83 177.57 1xis h LEU 378 N 0.39 1.05 -0.72 -2.39 3.38 -0.66 0.05 115.31 116.42 1xis h LEU 378 Ca 0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1xis h LEU 378 Cb 1.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1xis h LEU 378 CO 0.09 0.82 0.20 0.00 0.09 0.00 0.00 178.44 179.64 1xis h ALA 379 N 1.36 0.95 -0.08 1.53 0.00 -1.05 -0.70 119.26 121.27 1xis h ALA 379 Ca 0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xis h ALA 379 Cb -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1xis h ALA 379 CO -0.06 0.66 0.04 1.98 0.00 0.00 0.00 179.25 181.88 1xis h MET 380 N 1.09 0.11 -0.80 0.00 1.85 -0.80 -0.76 114.93 115.62 1xis h MET 380 Ca 0.23 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.30 1xis h MET 380 Cb 0.35 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.32 1xis h MET 380 CO -0.00 0.17 0.48 -0.44 -0.40 0.00 0.00 176.91 176.73 1xis h ASP 381 N 0.02 0.96 -0.48 1.39 3.32 -0.79 -0.99 116.42 119.85 1xis h ASP 381 Ca 0.03 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1xis h ASP 381 Cb 0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1xis h ASP 381 CO -0.00 0.74 0.16 0.45 -1.72 0.00 0.00 179.24 178.86 1xis h HIS 382 N 1.09 0.76 -0.54 4.55 3.86 -0.90 0.54 115.15 124.51 1xis h HIS 382 Ca 0.29 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.47 1xis h HIS 382 Cb -0.05 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.15 1xis h HIS 382 CO -0.01 0.67 0.27 1.25 0.86 0.00 0.00 177.93 180.97 1xis h LEU 383 N 0.63 0.38 -0.09 2.43 5.85 -0.59 -2.54 115.31 121.39 1xis h LEU 383 Ca 0.15 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1xis h LEU 383 Cb 0.26 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1xis h LEU 383 CO -0.01 0.26 -0.07 0.18 -0.34 0.00 0.00 178.44 178.47 1xis n LEU 384 N -4.88 0.20 -2.33 2.25 4.77 -0.43 -4.93 117.00 111.65 1xis n LEU 384 Ca 0.05 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1xis n LEU 384 Cb 0.15 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1xis n LEU 384 CO 0.28 0.04 0.14 0.61 -1.33 0.00 0.00 177.39 177.13 1xis n GLY 385 N 1.31 0.06 1.00 -0.72 0.00 -0.37 -4.94 105.19 101.53 1xis n GLY 385 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1xis n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xis n ALA 386 N -3.90 4.11 0.04 4.61 0.00 0.04 -4.77 120.51 120.64 1xis n ALA 386 Ca -0.01 -3.32 -0.08 0.00 0.00 0.00 0.00 53.44 50.03 1xis n ALA 386 Cb 0.54 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 1xis n ALA 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xis h ARG 387 N 1.16 -0.19 0.00 0.00 2.47 -1.93 -3.47 114.38 112.42 1xis h ARG 387 Ca 0.13 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1xis h ARG 387 Cb 1.29 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 1xis h ARG 387 CO 0.25 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.36