#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxc s TRP 2 N 0.00 2.01 -0.04 3.17 0.52 0.24 -0.77 118.94 124.07 2nxc s TRP 2 Ca 0.00 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.72 2nxc s TRP 2 Cb 0.00 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 2nxc s TRP 2 CO 0.00 0.22 0.01 0.54 0.02 0.00 0.00 176.95 177.74 2nxc s VAL 3 N -1.04 4.27 -0.29 4.03 0.11 0.51 -0.52 120.40 127.47 2nxc s VAL 3 Ca 0.09 -0.44 -0.04 0.00 -2.93 0.00 0.00 61.98 58.67 2nxc s VAL 3 Cb -0.10 -2.86 0.03 0.00 -1.53 0.00 0.00 36.38 31.92 2nxc s VAL 3 CO 0.04 0.47 0.01 -0.47 -3.33 0.00 0.00 175.10 171.83 2nxc s TYR 4 N -1.01 3.18 -0.17 1.54 5.04 0.44 -1.19 117.35 125.19 2nxc s TYR 4 Ca 0.17 -1.52 -0.10 0.00 -2.44 0.00 0.00 57.07 53.18 2nxc s TYR 4 Cb -0.11 -2.15 -0.05 0.00 0.35 0.00 0.00 41.96 40.00 2nxc s TYR 4 CO 0.07 -0.72 0.18 1.03 -1.34 0.00 0.00 175.55 174.77 2nxc s ARG 5 N 1.35 4.04 -0.02 4.97 0.52 0.13 -1.28 118.95 128.66 2nxc s ARG 5 Ca -0.01 -0.10 0.06 0.00 -0.52 0.00 0.00 55.73 55.16 2nxc s ARG 5 Cb -0.18 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 2nxc s ARG 5 CO -0.01 0.40 -0.20 -0.51 0.02 0.00 0.00 175.30 175.00 2nxc s LEU 6 N 0.03 2.03 0.10 2.53 1.43 0.19 -1.36 118.68 123.63 2nxc s LEU 6 Ca 0.12 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2nxc s LEU 6 Cb -0.12 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.00 2nxc s LEU 6 CO 0.01 0.24 1.11 -0.75 0.23 0.00 0.00 176.35 177.19 2nxc s LYS 7 N -0.43 4.53 0.00 1.70 2.47 -1.26 -0.57 119.74 126.17 2nxc s LYS 7 Ca 0.07 1.67 0.00 0.00 -1.56 0.00 0.00 55.97 56.15 2nxc s LYS 7 Cb -0.08 -3.34 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 2nxc s LYS 7 CO -0.00 -0.07 0.00 0.41 0.16 0.00 0.00 175.35 175.85 2nxc n GLY 8 N 2.67 3.00 3.92 5.54 0.00 0.31 -4.83 105.19 115.80 2nxc n GLY 8 Ca 0.06 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 2nxc n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nxc s THR 9 N -2.08 4.66 0.23 2.61 -4.23 -1.26 -2.82 115.64 112.75 2nxc s THR 9 Ca 0.00 -0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.42 2nxc s THR 9 Cb 0.00 -3.76 0.19 0.00 1.34 0.00 0.00 72.50 70.27 2nxc s THR 9 CO 0.00 -0.68 1.74 -0.07 -0.54 0.00 0.00 174.62 175.07 2nxc h LEU 10 N 0.28 0.27 -0.23 4.79 3.38 -1.96 -0.46 115.31 121.38 2nxc h LEU 10 Ca -0.47 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.62 2nxc h LEU 10 Cb 1.22 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2nxc h LEU 10 CO 0.61 0.12 0.08 -0.08 0.09 0.00 0.00 178.44 179.26 2nxc h GLU 11 N 0.44 0.18 -0.48 1.13 4.81 -2.00 -0.58 114.58 118.09 2nxc h GLU 11 Ca 0.38 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.52 2nxc h GLU 11 Cb 0.53 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2nxc h GLU 11 CO -0.37 0.12 -0.00 0.00 -0.73 0.00 0.00 179.01 178.03 2nxc h ALA 12 N 1.14 1.09 -0.27 2.92 0.00 -1.82 -2.89 119.26 119.44 2nxc h ALA 12 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2nxc h ALA 12 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2nxc h ALA 12 CO -0.10 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.00 2nxc n LEU 13 N -4.21 1.97 -0.31 0.00 4.77 -0.23 -4.49 117.00 114.50 2nxc n LEU 13 Ca 0.02 -0.89 0.14 0.00 -0.03 0.00 0.00 56.01 55.26 2nxc n LEU 13 Cb 0.30 -0.17 0.31 0.00 -2.33 0.00 0.00 43.42 41.53 2nxc n LEU 13 CO 0.42 0.44 0.93 -0.78 -1.33 0.00 0.00 177.39 177.07 2nxc h ASP 14 N 2.43 -0.03 -0.36 -1.43 3.58 -0.90 -0.28 116.42 119.43 2nxc h ASP 14 Ca 0.00 0.21 0.10 0.00 0.42 0.00 0.00 57.03 57.76 2nxc h ASP 14 Cb 0.54 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2nxc h ASP 14 CO 0.00 -0.20 0.32 -0.65 -2.88 0.00 0.00 179.24 175.84 2nxc h PRO 15 N 0.17 0.00 -0.01 0.28 0.11 -1.85 -2.73 132.00 127.97 2nxc h PRO 15 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2nxc h PRO 15 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2nxc h PRO 15 CO -0.69 0.00 -0.55 0.44 -0.21 0.00 0.00 178.00 176.98 2nxc n ILE 16 N -4.00 0.00 -0.19 4.15 -5.35 -0.13 -4.56 119.36 109.27 2nxc n ILE 16 Ca 0.06 -0.22 -0.06 0.00 -0.27 0.00 0.00 62.75 62.26 2nxc n ILE 16 Cb 0.49 1.12 0.04 0.00 -1.74 0.00 0.00 39.64 39.55 2nxc n ILE 16 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2nxc h LEU 17 N 1.11 0.60 -1.21 7.28 3.38 -1.33 -1.79 115.31 123.34 2nxc h LEU 17 Ca 0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2nxc h LEU 17 Cb 0.51 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2nxc h LEU 17 CO 0.00 0.43 0.57 -0.65 0.09 0.00 0.00 178.44 178.87 2nxc h PRO 18 N 0.72 0.88 -0.67 1.13 0.11 -1.80 -1.47 132.00 130.89 2nxc h PRO 18 Ca 0.22 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2nxc h PRO 18 Cb -0.03 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.85 2nxc h PRO 18 CO -0.07 0.58 0.24 0.78 -0.21 0.00 0.00 178.00 179.32 2nxc h GLY 19 N 0.91 1.08 0.95 -0.55 0.00 -1.64 0.15 103.07 103.96 2nxc h GLY 19 Ca 0.39 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2nxc h GLY 19 CO -0.16 0.55 0.15 1.41 0.00 0.00 0.00 176.54 178.49 2nxc h LEU 20 N 0.98 0.61 -0.57 3.11 3.38 -0.53 -0.50 115.31 121.79 2nxc h LEU 20 Ca 0.22 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2nxc h LEU 20 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2nxc h LEU 20 CO -0.01 0.64 0.07 -0.26 0.09 0.00 0.00 178.44 178.96 2nxc h PHE 21 N 0.55 1.03 -0.52 1.13 0.05 -1.00 -1.36 116.94 116.83 2nxc h PHE 21 Ca 0.14 -0.15 0.02 0.00 3.82 0.00 0.00 57.97 61.79 2nxc h PHE 21 Cb 0.23 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 37.88 2nxc h PHE 21 CO 0.01 0.91 0.34 -0.44 -0.18 0.00 0.00 178.31 178.95 2nxc h ASP 22 N 0.85 0.56 0.48 2.17 3.32 -0.54 -1.63 116.42 121.62 2nxc h ASP 22 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2nxc h ASP 22 Cb 0.45 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2nxc h ASP 22 CO 0.02 0.40 0.00 0.61 -1.72 0.00 0.00 179.24 178.54 2nxc n GLY 23 N -1.47 -1.16 0.00 2.75 0.00 -0.21 -4.88 105.19 100.23 2nxc n GLY 23 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2nxc n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxc n GLY 24 N 0.98 1.21 3.73 -0.02 0.00 -0.62 -4.94 105.19 105.53 2nxc n GLY 24 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2nxc n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxc s ALA 25 N -2.00 3.88 -0.55 4.61 0.00 -0.55 -4.66 121.76 122.49 2nxc s ALA 25 Ca 0.00 1.59 0.12 0.00 0.00 0.00 0.00 51.96 53.67 2nxc s ALA 25 Cb 0.00 -3.68 -0.13 0.00 0.00 0.00 0.00 23.12 19.31 2nxc s ALA 25 CO 0.00 -0.95 0.50 0.54 0.00 0.00 0.00 175.76 175.85 2nxc n ARG 26 N 3.40 3.15 -3.83 0.00 1.74 -0.08 -4.62 116.66 116.41 2nxc n ARG 26 Ca 0.13 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.10 2nxc n ARG 26 Cb 0.36 -1.05 -0.09 0.00 -1.02 0.00 0.00 32.46 30.65 2nxc n ARG 26 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2nxc s GLY 27 N -2.10 -0.02 -0.00 -0.13 0.00 -1.21 -4.98 107.32 98.87 2nxc s GLY 27 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.78 2nxc s GLY 27 CO 0.48 -0.16 -0.04 1.08 0.00 0.00 0.00 173.10 174.46 2nxc s LEU 28 N -1.43 1.99 -0.04 0.66 1.43 -1.26 -0.97 118.68 119.05 2nxc s LEU 28 Ca -0.14 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2nxc s LEU 28 Cb -0.06 -0.20 0.02 0.00 0.03 0.00 0.00 46.19 45.98 2nxc s LEU 28 CO 0.02 0.04 0.09 0.26 0.23 0.00 0.00 176.35 177.00 2nxc s TRP 29 N -0.06 -0.09 -0.18 0.29 0.52 0.11 -4.98 118.94 114.56 2nxc s TRP 29 Ca 0.01 0.29 -0.18 0.00 0.02 0.00 0.00 56.10 56.24 2nxc s TRP 29 Cb -0.02 -0.07 -0.04 0.00 -1.15 0.00 0.00 33.47 32.19 2nxc s TRP 29 CO -0.00 -0.10 0.50 -2.00 0.02 0.00 0.00 176.95 175.37 2nxc s GLU 30 N 0.69 4.23 -0.18 4.98 2.12 -1.26 -0.12 118.70 129.16 2nxc s GLU 30 Ca -0.05 0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 2nxc s GLU 30 Cb -0.07 -3.53 0.06 0.00 0.26 0.00 0.00 34.13 30.85 2nxc s GLU 30 CO -0.03 -0.06 0.07 0.50 -0.54 0.00 0.00 175.26 175.20 2nxc s ARG 31 N 1.34 0.30 -1.28 4.30 3.52 0.39 -4.92 118.95 122.59 2nxc s ARG 31 Ca 0.24 -0.23 -0.10 0.00 -0.13 0.00 0.00 55.73 55.51 2nxc s ARG 31 Cb -0.15 -1.93 -0.00 0.00 -1.56 0.00 0.00 34.95 31.30 2nxc s ARG 31 CO 0.10 -0.67 0.59 0.39 -0.81 0.00 0.00 175.30 174.90 2nxc n GLU 32 N 5.19 -2.39 -1.88 5.12 1.02 -1.26 -1.81 120.64 124.62 2nxc n GLU 32 Ca -0.08 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 2nxc n GLU 32 Cb 0.48 -4.29 -0.03 0.00 -0.02 0.00 0.00 31.44 27.58 2nxc n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nxc n GLY 33 N -1.85 0.50 3.21 0.62 0.00 -1.26 -4.98 105.19 101.43 2nxc n GLY 33 Ca -0.21 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 2nxc n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nxc s GLU 34 N -4.00 0.93 -0.16 1.61 2.02 -0.75 -0.53 118.70 117.82 2nxc s GLU 34 Ca 0.00 -1.11 -0.04 0.00 0.02 0.00 0.00 54.97 53.84 2nxc s GLU 34 Cb 0.00 -0.85 -0.03 0.00 0.10 0.00 0.00 34.13 33.35 2nxc s GLU 34 CO 0.00 0.17 -0.04 0.08 0.02 0.00 0.00 175.26 175.50 2nxc s VAL 35 N -1.78 3.87 -0.23 2.63 1.01 0.26 -0.47 120.40 125.69 2nxc s VAL 35 Ca 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 2nxc s VAL 35 Cb -0.07 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2nxc s VAL 35 CO 0.02 0.49 -0.05 0.26 0.00 0.00 0.00 175.10 175.83 2nxc s TRP 36 N 0.40 2.98 -0.13 5.22 0.52 0.83 -0.64 118.94 128.13 2nxc s TRP 36 Ca -0.04 -1.10 -0.01 0.00 0.02 0.00 0.00 56.10 54.96 2nxc s TRP 36 Cb -0.14 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 2nxc s TRP 36 CO 0.03 -0.60 -0.08 0.00 0.02 0.00 0.00 176.95 176.32 2nxc s ALA 37 N 1.44 2.86 -0.13 0.98 0.00 -0.40 -0.71 121.76 125.79 2nxc s ALA 37 Ca 0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2nxc s ALA 37 Cb -0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2nxc s ALA 37 CO -0.04 0.30 -0.05 -0.06 0.00 0.00 0.00 175.76 175.91 2nxc s PHE 38 N 0.13 2.99 0.08 0.00 0.40 -0.15 -0.42 117.98 121.02 2nxc s PHE 38 Ca -0.03 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 2nxc s PHE 38 Cb -0.14 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 2nxc s PHE 38 CO 0.04 0.08 -0.09 -0.06 0.70 0.00 0.00 175.22 175.89 2nxc s PHE 39 N -0.02 0.92 0.37 0.36 0.40 0.32 -0.90 117.98 119.43 2nxc s PHE 39 Ca 0.00 -0.68 0.06 0.00 -0.60 0.00 0.00 56.93 55.71 2nxc s PHE 39 Cb -0.13 -0.52 0.77 0.00 0.51 0.00 0.00 43.02 43.64 2nxc s PHE 39 CO 0.03 -0.06 1.99 -1.35 0.70 0.00 0.00 175.22 176.52 2nxc h PRO 40 N 3.64 0.69 -2.83 0.24 0.11 -1.85 0.72 132.00 132.72 2nxc h PRO 40 Ca -0.36 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 2nxc h PRO 40 Cb 1.19 -0.16 -0.13 0.00 0.11 0.00 0.00 31.00 32.01 2nxc h PRO 40 CO 0.53 0.46 0.23 0.00 -0.21 0.00 0.00 178.00 179.00 2nxc s ALA 41 N -5.63 -1.64 0.47 -0.75 0.00 -1.26 -4.21 121.76 108.74 2nxc s ALA 41 Ca -0.09 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.25 2nxc s ALA 41 Cb 0.19 0.75 -0.07 0.00 0.00 0.00 0.00 23.12 23.98 2nxc s ALA 41 CO 0.76 -0.72 1.39 -2.14 0.00 0.00 0.00 175.76 175.05 2nxc s PRO 42 N -3.40 3.59 0.19 0.00 0.02 -1.26 -4.92 135.00 129.22 2nxc s PRO 42 Ca -0.00 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.36 2nxc s PRO 42 Cb -0.01 -2.57 -0.05 0.00 0.02 0.00 0.00 34.50 31.90 2nxc s PRO 42 CO -0.10 -0.86 0.01 0.14 -0.33 0.00 0.00 177.00 175.86 2nxc s VAL 43 N -1.24 0.74 -0.31 3.83 -7.23 -1.26 -5.11 120.40 109.81 2nxc s VAL 43 Ca 0.63 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 2nxc s VAL 43 Cb -0.42 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.33 2nxc s VAL 43 CO 0.53 -0.41 1.28 -0.62 -0.31 0.00 0.00 175.10 175.56 2nxc s ASP 44 N -3.21 6.69 -0.01 4.85 2.15 -1.26 -4.99 116.67 120.90 2nxc s ASP 44 Ca 0.26 1.17 0.06 0.00 0.43 0.00 0.00 52.55 54.47 2nxc s ASP 44 Cb 0.06 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2nxc s ASP 44 CO 0.05 -1.07 -0.18 -0.76 -0.17 0.00 0.00 175.17 173.05 2nxc s LEU 45 N 4.31 2.05 -0.03 -1.34 1.43 -1.26 -5.05 118.68 118.79 2nxc s LEU 45 Ca 0.55 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 2nxc s LEU 45 Cb -0.16 -0.91 0.25 0.00 0.03 0.00 0.00 46.19 45.40 2nxc s LEU 45 CO 0.23 0.21 1.08 -0.81 0.23 0.00 0.00 176.35 177.29 2nxc n PRO 46 N 2.58 1.91 -0.01 1.29 -0.04 -1.26 -4.46 135.00 135.00 2nxc n PRO 46 Ca -0.15 -0.99 0.12 0.00 -0.04 0.00 0.00 63.50 62.44 2nxc n PRO 46 Cb 0.54 -1.43 0.20 0.00 -0.04 0.00 0.00 33.50 32.76 2nxc n PRO 46 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2nxc n TYR 47 N 0.24 0.03 -2.74 0.54 0.53 -1.26 -4.97 117.16 109.53 2nxc n TYR 47 Ca 0.09 -0.01 -0.20 0.00 -1.02 0.00 0.00 57.90 56.76 2nxc n TYR 47 Cb 0.37 0.00 0.01 0.00 -1.03 0.00 0.00 39.34 38.68 2nxc n TYR 47 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 2nxc n GLU 48 N 1.11 -3.09 -1.98 -0.72 1.02 -1.26 -5.01 120.64 110.69 2nxc n GLU 48 Ca 0.15 0.83 -0.29 0.00 -0.02 0.00 0.00 57.16 57.84 2nxc n GLU 48 Cb 0.55 -5.55 0.12 0.00 -0.02 0.00 0.00 31.44 26.53 2nxc n GLU 48 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2nxc s GLY 49 N -2.35 1.67 -0.08 0.62 0.00 -1.26 -4.93 107.32 101.00 2nxc s GLY 49 Ca 0.15 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.98 2nxc s GLY 49 CO 0.19 -0.34 -0.14 0.54 0.00 0.00 0.00 173.10 173.35 2nxc s VAL 50 N -3.61 3.07 -0.01 1.40 0.11 -0.47 -4.89 120.40 116.00 2nxc s VAL 50 Ca 0.66 -0.70 -0.18 0.00 -2.93 0.00 0.00 61.98 58.83 2nxc s VAL 50 Cb -0.08 -2.23 -0.06 0.00 -1.53 0.00 0.00 36.38 32.48 2nxc s VAL 50 CO 0.49 0.57 0.50 0.26 -3.33 0.00 0.00 175.10 173.59 2nxc s TRP 51 N -0.35 3.69 -0.13 1.54 0.52 -1.26 -0.69 118.94 122.27 2nxc s TRP 51 Ca 0.03 1.08 -0.11 0.00 0.02 0.00 0.00 56.10 57.13 2nxc s TRP 51 Cb -0.13 -2.46 0.04 0.00 -1.15 0.00 0.00 33.47 29.77 2nxc s TRP 51 CO 0.02 0.46 0.33 -2.00 0.02 0.00 0.00 176.95 175.79 2nxc s GLU 52 N -0.52 0.37 0.17 4.98 2.12 -0.33 -5.01 118.70 120.48 2nxc s GLU 52 Ca 0.27 0.49 -0.30 0.00 0.36 0.00 0.00 54.97 55.79 2nxc s GLU 52 Cb -0.17 0.14 -0.07 0.00 0.26 0.00 0.00 34.13 34.29 2nxc s GLU 52 CO 0.15 -0.07 1.06 -2.00 -0.54 0.00 0.00 175.26 173.86 2nxc s GLU 53 N 0.37 4.64 0.01 4.30 2.12 -1.26 -0.36 118.70 128.52 2nxc s GLU 53 Ca -0.02 1.64 -0.30 0.00 0.36 0.00 0.00 54.97 56.65 2nxc s GLU 53 Cb -0.03 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2nxc s GLU 53 CO -0.01 0.14 1.11 0.08 -0.54 0.00 0.00 175.26 176.04 2nxc s VAL 54 N -0.27 4.40 0.52 3.70 1.01 0.05 -4.88 120.40 124.93 2nxc s VAL 54 Ca 0.48 1.72 0.00 0.00 0.00 0.00 0.00 61.98 64.18 2nxc s VAL 54 Cb -0.28 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 2nxc s VAL 54 CO 0.34 0.10 0.01 -0.83 0.00 0.00 0.00 175.10 174.72 2nxc s GLY 55 N 1.11 3.10 0.37 4.51 0.00 -1.26 -4.62 107.32 110.54 2nxc s GLY 55 Ca 0.55 -0.09 0.09 0.00 0.00 0.00 0.00 44.72 45.28 2nxc s GLY 55 CO 0.27 -2.20 1.91 -0.55 0.00 0.00 0.00 173.10 172.53 2nxc h ASP 56 N 1.30 0.60 -0.57 1.64 3.32 -2.00 -1.61 116.42 119.10 2nxc h ASP 56 Ca -0.44 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 2nxc h ASP 56 Cb 1.33 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 2nxc h ASP 56 CO 0.72 0.34 0.26 -0.33 -1.72 0.00 0.00 179.24 178.51 2nxc h GLU 57 N 0.65 0.87 -0.43 3.56 3.07 -1.99 -0.57 114.58 119.75 2nxc h GLU 57 Ca 0.39 -0.13 -0.14 0.00 -0.50 0.00 0.00 59.36 58.98 2nxc h GLU 57 Cb 0.60 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2nxc h GLU 57 CO -0.15 0.70 -0.28 -0.44 -1.40 0.00 0.00 179.01 177.43 2nxc h ASP 58 N 0.86 0.99 -0.12 1.42 3.32 -1.70 -1.04 116.42 120.15 2nxc h ASP 58 Ca 0.21 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2nxc h ASP 58 Cb 0.14 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2nxc h ASP 58 CO -0.02 1.21 0.03 -0.50 -1.72 0.00 0.00 179.24 178.23 2nxc h TRP 59 N 0.78 0.21 -0.46 4.55 4.06 -1.15 -1.39 115.95 122.54 2nxc h TRP 59 Ca 0.09 -0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.05 2nxc h TRP 59 Cb 0.87 -0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.93 2nxc h TRP 59 CO 0.06 0.36 0.23 -0.07 -3.56 0.00 0.00 178.44 175.46 2nxc h LEU 60 N -0.00 0.33 -0.48 -4.49 3.38 -1.07 -1.09 115.31 111.90 2nxc h LEU 60 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2nxc h LEU 60 Cb 0.26 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2nxc h LEU 60 CO 0.00 0.24 0.27 -0.08 0.09 0.00 0.00 178.44 178.96 2nxc h GLU 61 N 0.46 0.66 -0.61 1.13 4.57 -1.09 -0.32 114.58 119.38 2nxc h GLU 61 Ca 0.20 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2nxc h GLU 61 Cb 0.11 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2nxc h GLU 61 CO -0.14 0.51 0.24 0.00 -1.18 0.00 0.00 179.01 178.44 2nxc h ALA 62 N 1.12 0.79 -0.47 2.92 0.00 -0.90 -1.31 119.26 121.40 2nxc h ALA 62 Ca 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2nxc h ALA 62 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2nxc h ALA 62 CO -0.03 0.41 0.08 2.35 0.00 0.00 0.00 179.25 182.06 2nxc h TRP 63 N 0.85 0.82 -0.92 0.00 2.91 -1.00 -2.80 115.95 115.82 2nxc h TRP 63 Ca 0.20 -0.11 0.02 0.00 1.13 0.00 0.00 58.89 60.13 2nxc h TRP 63 Cb 0.20 -0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 28.58 2nxc h TRP 63 CO 0.01 0.77 0.61 0.00 -1.03 0.00 0.00 178.44 178.79 2nxc h ARG 64 N 0.65 1.19 0.00 2.65 3.08 -0.79 -0.43 114.38 120.72 2nxc h ARG 64 Ca 0.14 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2nxc h ARG 64 Cb 0.38 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2nxc h ARG 64 CO 0.01 0.79 -0.05 0.00 -1.07 0.00 0.00 179.97 179.65 2nxc h ARG 65 N 1.23 0.00 -0.01 0.04 3.08 -0.99 -2.41 114.38 115.31 2nxc h ARG 65 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2nxc h ARG 65 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2nxc h ARG 65 CO -0.08 0.05 -0.27 -3.47 -1.07 0.00 0.00 179.97 175.13 2nxc n ASP 66 N -3.60 1.33 -4.77 7.04 4.64 -0.20 -4.95 116.55 116.05 2nxc n ASP 66 Ca -0.02 -1.11 -0.39 0.00 -1.38 0.00 0.00 54.79 51.89 2nxc n ASP 66 Cb 0.16 0.19 -0.01 0.00 -1.04 0.00 0.00 41.12 40.42 2nxc n ASP 66 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2nxc s LEU 67 N -2.43 4.21 0.21 -2.67 1.43 -0.91 -5.04 118.68 113.47 2nxc s LEU 67 Ca 0.25 2.63 0.10 0.00 -1.03 0.00 0.00 54.13 56.07 2nxc s LEU 67 Cb 0.19 -3.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2nxc s LEU 67 CO 0.51 -0.84 -0.16 -0.54 0.23 0.00 0.00 176.35 175.55 2nxc s LYS 68 N -2.25 1.82 0.43 1.70 1.02 -1.26 -5.03 119.74 116.17 2nxc s LYS 68 Ca 0.57 -1.46 -0.24 0.00 0.02 0.00 0.00 55.97 54.86 2nxc s LYS 68 Cb -0.37 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 34.86 2nxc s LYS 68 CO 0.48 0.40 1.08 -2.30 -0.92 0.00 0.00 175.35 174.09 2nxc n PRO 69 N -0.06 1.48 -3.96 -1.68 -0.02 -1.26 -4.88 135.00 124.62 2nxc n PRO 69 Ca -0.10 0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 2nxc n PRO 69 Cb 0.57 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 2nxc n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nxc s ALA 70 N -1.27 2.70 0.32 3.55 0.00 -0.24 -4.95 121.76 121.87 2nxc s ALA 70 Ca 0.64 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 2nxc s ALA 70 Cb -0.53 -1.62 -0.10 0.00 0.00 0.00 0.00 23.12 20.86 2nxc s ALA 70 CO 0.56 -0.58 1.23 -0.51 0.00 0.00 0.00 175.76 176.46 2nxc s LEU 71 N 1.39 4.44 -0.45 0.00 1.43 -1.26 0.03 118.68 124.26 2nxc s LEU 71 Ca 0.03 2.54 0.07 0.00 -1.03 0.00 0.00 54.13 55.74 2nxc s LEU 71 Cb -0.15 -3.68 0.24 0.00 0.03 0.00 0.00 46.19 42.63 2nxc s LEU 71 CO -0.05 -0.44 0.73 0.00 0.23 0.00 0.00 176.35 176.82 2nxc n ALA 72 N 0.84 0.13 -1.55 4.21 0.00 -0.19 -4.88 120.51 119.06 2nxc n ALA 72 Ca 0.00 -2.19 -0.48 0.00 0.00 0.00 0.00 53.44 50.77 2nxc n ALA 72 Cb 0.43 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 2nxc n ALA 72 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2nxc n PRO 73 N 1.62 0.98 -0.02 0.00 -0.02 -1.26 -0.68 135.00 135.62 2nxc n PRO 73 Ca 0.14 0.35 0.01 0.00 -2.02 0.00 0.00 63.50 61.98 2nxc n PRO 73 Cb 0.59 -1.73 0.02 0.00 -0.02 0.00 0.00 33.50 32.36 2nxc n PRO 73 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2nxc n PRO 74 N 1.30 1.09 -3.52 0.52 -0.04 -1.26 -4.08 135.00 129.00 2nxc n PRO 74 Ca 0.14 -0.14 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 2nxc n PRO 74 Cb 0.26 -1.04 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 2nxc n PRO 74 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2nxc s PHE 75 N -1.94 3.14 -0.07 0.54 0.40 0.14 -0.93 117.98 119.27 2nxc s PHE 75 Ca 0.03 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 2nxc s PHE 75 Cb 0.01 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.61 2nxc s PHE 75 CO 0.02 0.03 -0.12 0.54 0.70 0.00 0.00 175.22 176.39 2nxc s VAL 76 N -2.16 1.14 -0.20 -0.44 0.11 -0.27 -1.03 120.40 117.55 2nxc s VAL 76 Ca 0.44 -0.48 -0.17 0.00 -2.93 0.00 0.00 61.98 58.84 2nxc s VAL 76 Cb -0.09 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2nxc s VAL 76 CO 0.31 0.36 0.46 -0.69 -3.33 0.00 0.00 175.10 172.20 2nxc s VAL 77 N 0.70 5.15 0.02 2.04 1.01 0.10 -0.59 120.40 128.84 2nxc s VAL 77 Ca -0.14 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.74 2nxc s VAL 77 Cb -0.16 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2nxc s VAL 77 CO 0.03 0.22 -0.22 -0.76 0.00 0.00 0.00 175.10 174.37 2nxc s LEU 78 N 1.45 2.12 0.67 3.92 1.43 0.67 -1.08 118.68 127.86 2nxc s LEU 78 Ca 0.22 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 2nxc s LEU 78 Cb -0.15 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.98 2nxc s LEU 78 CO 0.09 0.22 1.07 0.00 0.23 0.00 0.00 176.35 177.96 2nxc s ALA 79 N -0.70 2.59 0.58 4.21 0.00 -1.26 -0.39 121.76 126.79 2nxc s ALA 79 Ca 0.09 0.29 0.29 0.00 0.00 0.00 0.00 51.96 52.62 2nxc s ALA 79 Cb -0.09 -3.23 1.49 0.00 0.00 0.00 0.00 23.12 21.28 2nxc s ALA 79 CO 0.01 -1.19 1.93 -1.35 0.00 0.00 0.00 175.76 175.16 2nxc h PRO 80 N -0.29 0.00 -0.17 0.00 0.11 -1.92 -1.15 132.00 128.59 2nxc h PRO 80 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2nxc h PRO 80 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2nxc h PRO 80 CO 0.56 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.68 2nxc n TRP 81 N -3.84 0.20 -3.06 0.65 2.14 -1.26 -4.95 117.44 107.32 2nxc n TRP 81 Ca 0.09 -0.10 -0.35 0.00 2.07 0.00 0.00 57.50 59.20 2nxc n TRP 81 Cb 0.65 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.09 2nxc n TRP 81 CO 0.00 0.00 0.00 -1.01 2.07 0.00 0.00 177.69 178.75 2nxc s HIS 82 N -1.80 3.59 0.09 -2.67 3.76 -0.44 -5.09 115.29 112.75 2nxc s HIS 82 Ca 0.34 1.41 0.02 0.00 -0.15 0.00 0.00 55.06 56.68 2nxc s HIS 82 Cb 0.20 -2.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 2nxc s HIS 82 CO 0.30 0.26 0.20 0.99 -0.85 0.00 0.00 174.74 175.64 2nxc s THR 83 N -1.64 5.17 -0.02 1.30 2.01 -1.26 -4.92 115.64 116.28 2nxc s THR 83 Ca 0.46 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 2nxc s THR 83 Cb -0.15 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.82 2nxc s THR 83 CO 0.20 0.06 0.04 0.86 -0.69 0.00 0.00 174.62 175.09 2nxc s TRP 84 N -1.57 0.05 -0.36 4.92 -0.11 -1.26 -5.03 118.94 115.58 2nxc s TRP 84 Ca 0.34 0.15 0.22 0.00 1.22 0.00 0.00 56.10 58.03 2nxc s TRP 84 Cb -0.12 -0.30 -0.27 0.00 -1.50 0.00 0.00 33.47 31.28 2nxc s TRP 84 CO 0.27 -0.11 0.66 -0.85 -4.62 0.00 0.00 176.95 172.29 2nxc n GLU 85 N 4.43 0.44 -1.28 5.86 -0.00 -1.26 -5.01 120.64 123.82 2nxc n GLU 85 Ca -0.23 -0.12 -0.21 0.00 -0.00 0.00 0.00 57.16 56.61 2nxc n GLU 85 Cb 0.50 -1.53 0.15 0.00 -0.00 0.00 0.00 31.44 30.56 2nxc n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2nxc n GLY 86 N 1.34 -1.53 0.08 -1.84 0.00 -1.26 -5.00 105.19 96.98 2nxc n GLY 86 Ca -0.01 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.45 2nxc n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxc h ALA 87 N -1.92 0.60 -2.91 4.61 0.00 -1.98 -3.48 119.26 114.18 2nxc h ALA 87 Ca -0.30 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.04 2nxc h ALA 87 Cb 0.84 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.78 2nxc h ALA 87 CO 0.21 0.00 0.34 0.39 0.00 0.00 0.00 179.25 180.19 2nxc n GLU 88 N -2.28 1.19 -2.30 0.00 4.71 -1.26 -4.91 120.64 115.78 2nxc n GLU 88 Ca 0.03 0.45 -0.43 0.00 -0.01 0.00 0.00 57.16 57.20 2nxc n GLU 88 Cb 0.47 -2.34 -0.02 0.00 -1.01 0.00 0.00 31.44 28.53 2nxc n GLU 88 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2nxc s ILE 89 N -1.41 4.06 0.22 -3.67 1.01 -0.10 -4.70 121.20 116.61 2nxc s ILE 89 Ca 0.75 1.26 -0.30 0.00 0.00 0.00 0.00 60.65 62.37 2nxc s ILE 89 Cb -0.42 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 2nxc s ILE 89 CO 0.47 -0.17 1.15 -2.16 0.00 0.00 0.00 174.94 174.23 2nxc s PRO 90 N 3.80 4.56 -0.26 2.79 0.04 -1.26 -1.12 135.00 143.54 2nxc s PRO 90 Ca 0.61 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2nxc s PRO 90 Cb -0.24 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.15 2nxc s PRO 90 CO 0.20 0.04 0.00 -0.51 0.04 0.00 0.00 177.00 176.77 2nxc s LEU 91 N -0.77 2.72 -0.30 -3.56 1.02 0.24 -4.90 118.68 113.13 2nxc s LEU 91 Ca 0.49 -1.39 -0.19 0.00 0.02 0.00 0.00 54.13 53.06 2nxc s LEU 91 Cb -0.32 -1.13 -0.01 0.00 0.02 0.00 0.00 46.19 44.74 2nxc s LEU 91 CO 0.39 -0.30 0.59 -0.69 0.02 0.00 0.00 176.35 176.36 2nxc s VAL 92 N 1.40 4.98 -0.05 -1.59 1.01 -1.26 -0.24 120.40 124.65 2nxc s VAL 92 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2nxc s VAL 92 Cb -0.18 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.26 2nxc s VAL 92 CO -0.10 -0.10 -0.03 -0.63 0.00 0.00 0.00 175.10 174.23 2nxc s ILE 93 N 2.52 0.49 0.06 2.22 -1.09 0.48 -4.75 121.20 121.13 2nxc s ILE 93 Ca 0.24 -0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.29 2nxc s ILE 93 Cb -0.15 -0.55 -0.10 0.00 -1.58 0.00 0.00 42.46 40.08 2nxc s ILE 93 CO 0.11 0.23 1.94 1.21 -1.23 0.00 0.00 174.94 177.21 2nxc n GLU 94 N 4.33 2.85 -1.74 2.79 4.07 -1.26 -4.34 120.64 127.34 2nxc n GLU 94 Ca -0.21 1.04 -0.42 0.00 -0.06 0.00 0.00 57.16 57.52 2nxc n GLU 94 Cb 0.51 -2.98 -0.01 0.00 -0.06 0.00 0.00 31.44 28.89 2nxc n GLU 94 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2nxc n PRO 95 N 7.02 2.57 -0.09 5.31 -0.02 -1.26 -5.08 135.00 143.45 2nxc n PRO 95 Ca 0.20 0.91 -0.18 0.00 -2.02 0.00 0.00 63.50 62.41 2nxc n PRO 95 Cb 0.40 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 2nxc n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxc n GLY 96 N 1.51 -0.33 4.37 -1.23 0.00 -1.26 -5.19 105.19 103.04 2nxc n GLY 96 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2nxc n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxc n GLY 102 N 1.84 1.67 0.15 -0.02 0.00 -1.26 -5.20 105.19 102.36 2nxc n GLY 102 Ca -0.32 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.72 2nxc n GLY 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2nxc h HIS 103 N 0.00 0.00 -3.90 1.61 3.86 -1.95 -3.42 115.15 111.35 2nxc h HIS 103 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 2nxc h HIS 103 Cb 0.00 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.52 2nxc h HIS 103 CO 0.00 0.54 0.52 -1.58 0.86 0.00 0.00 177.93 178.27 2nxc s HIS 104 N -3.42 3.18 0.19 2.45 5.04 -1.26 -4.92 115.29 116.55 2nxc s HIS 104 Ca 0.00 1.56 -0.11 0.00 -1.54 0.00 0.00 55.06 54.97 2nxc s HIS 104 Cb 0.11 -3.41 0.11 0.00 0.04 0.00 0.00 32.58 29.43 2nxc s HIS 104 CO 0.73 -1.22 1.82 0.93 -2.34 0.00 0.00 174.74 174.66 2nxc h GLU 105 N 3.02 0.91 -0.08 2.88 3.07 -1.91 -2.25 114.58 120.21 2nxc h GLU 105 Ca -0.48 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 58.16 2nxc h GLU 105 Cb 1.23 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 2nxc h GLU 105 CO 0.64 0.66 -0.52 1.79 -1.40 0.00 0.00 179.01 180.18 2nxc h THR 106 N 0.90 1.36 -0.45 1.13 1.35 -1.91 -0.62 112.91 114.67 2nxc h THR 106 Ca 0.24 -1.78 -0.14 0.00 -0.55 0.00 0.00 66.41 64.17 2nxc h THR 106 Cb -0.00 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2nxc h THR 106 CO -0.04 0.53 -0.27 0.74 -0.25 0.00 0.00 175.52 176.23 2nxc h THR 107 N 0.17 1.27 -0.18 6.82 2.02 -1.88 -0.54 112.91 120.59 2nxc h THR 107 Ca 0.00 -1.44 0.02 0.00 0.77 0.00 0.00 66.41 65.77 2nxc h THR 107 Cb 0.97 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2nxc h THR 107 CO 0.08 0.49 0.03 0.03 0.37 0.00 0.00 175.52 176.52 2nxc h ARG 108 N 0.83 0.09 -0.39 6.66 3.08 -1.07 -0.09 114.38 123.50 2nxc h ARG 108 Ca 0.10 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.16 2nxc h ARG 108 Cb 0.85 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 2nxc h ARG 108 CO 0.08 0.06 0.21 -0.07 -1.07 0.00 0.00 179.97 179.18 2nxc h LEU 109 N 0.10 0.33 -0.58 3.04 3.38 -0.98 -2.12 115.31 118.47 2nxc h LEU 109 Ca 0.08 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2nxc h LEU 109 Cb 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2nxc h LEU 109 CO -0.11 0.24 -0.01 0.00 0.09 0.00 0.00 178.44 178.65 2nxc h ALA 110 N 1.19 0.78 -0.54 1.53 0.00 -0.77 -1.35 119.26 120.09 2nxc h ALA 110 Ca 0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2nxc h ALA 110 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2nxc h ALA 110 CO -0.09 0.62 0.19 -0.07 0.00 0.00 0.00 179.25 179.90 2nxc h LEU 111 N 0.91 0.77 -0.28 0.00 3.38 -0.84 0.20 115.31 119.45 2nxc h LEU 111 Ca 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2nxc h LEU 111 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2nxc h LEU 111 CO 0.03 0.75 0.11 0.11 0.09 0.00 0.00 178.44 179.53 2nxc h LYS 112 N 0.74 0.42 -0.73 1.13 1.57 -1.21 -2.17 116.57 116.32 2nxc h LYS 112 Ca 0.18 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2nxc h LYS 112 Cb 0.24 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2nxc h LYS 112 CO -0.01 0.45 0.22 0.00 -0.57 0.00 0.00 179.45 179.54 2nxc h ALA 113 N 0.95 1.01 -0.46 3.86 0.00 -1.06 -2.72 119.26 120.84 2nxc h ALA 113 Ca 0.09 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2nxc h ALA 113 Cb 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2nxc h ALA 113 CO -0.01 0.66 0.25 -0.07 0.00 0.00 0.00 179.25 180.08 2nxc h LEU 114 N 1.09 0.38 -1.35 0.00 3.38 -0.43 0.02 115.31 118.41 2nxc h LEU 114 Ca 0.24 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.28 2nxc h LEU 114 Cb 0.31 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2nxc h LEU 114 CO -0.01 0.27 0.48 0.00 0.09 0.00 0.00 178.44 179.28 2nxc h ALA 115 N 1.22 1.65 -0.00 1.53 0.00 -1.12 0.81 119.26 123.35 2nxc h ALA 115 Ca 0.19 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2nxc h ALA 115 Cb 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2nxc h ALA 115 CO -0.11 0.24 -0.55 0.00 0.00 0.00 0.00 179.25 178.83 2nxc h ARG 116 N 0.81 0.38 0.00 0.00 3.08 -1.08 -3.38 114.38 114.18 2nxc h ARG 116 Ca 0.31 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2nxc h ARG 116 Cb 0.19 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2nxc h ARG 116 CO -0.10 1.07 -1.27 0.72 -1.07 0.00 0.00 179.97 179.32 2nxc n HIS 117 N -4.26 0.34 -3.24 3.04 8.25 -0.07 -4.90 115.22 114.38 2nxc n HIS 117 Ca -0.10 0.10 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 2nxc n HIS 117 Cb 0.65 -0.55 -0.06 0.00 1.12 0.00 0.00 29.99 31.15 2nxc n HIS 117 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2nxc s LEU 118 N -4.35 4.39 0.08 2.41 2.96 0.25 -5.00 118.68 119.43 2nxc s LEU 118 Ca -0.00 1.25 0.09 0.00 -0.22 0.00 0.00 54.13 55.25 2nxc s LEU 118 Cb 0.13 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 2nxc s LEU 118 CO 0.83 0.12 -0.23 -0.13 -1.32 0.00 0.00 176.35 175.62 2nxc s ARG 119 N -1.76 1.33 0.17 1.98 0.52 -1.26 -4.87 118.95 115.06 2nxc s ARG 119 Ca 0.38 -1.13 -0.33 0.00 -0.52 0.00 0.00 55.73 54.13 2nxc s ARG 119 Cb -0.17 -1.59 -0.15 0.00 0.52 0.00 0.00 34.95 33.56 2nxc s ARG 119 CO 0.20 0.39 1.31 -2.30 0.02 0.00 0.00 175.30 174.92 2nxc n PRO 120 N 1.36 1.51 0.00 3.54 -0.02 -1.26 -1.43 135.00 138.70 2nxc n PRO 120 Ca -0.18 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2nxc n PRO 120 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2nxc n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxc n GLY 121 N 2.31 2.08 3.77 -1.23 0.00 0.39 -4.94 105.19 107.57 2nxc n GLY 121 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2nxc n GLY 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nxc s ASP 122 N -1.56 6.39 -0.12 1.61 1.01 -0.52 -4.72 116.67 118.76 2nxc s ASP 122 Ca 0.00 2.43 -0.20 0.00 0.71 0.00 0.00 52.55 55.49 2nxc s ASP 122 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2nxc s ASP 122 CO 0.00 -0.77 0.56 -0.54 0.21 0.00 0.00 175.17 174.62 2nxc s LYS 123 N -2.35 4.34 -0.05 8.23 -0.14 -1.26 -0.79 119.74 127.72 2nxc s LYS 123 Ca 0.58 0.58 0.06 0.00 -1.36 0.00 0.00 55.97 55.83 2nxc s LYS 123 Cb -0.32 -3.46 -0.01 0.00 -1.68 0.00 0.00 37.83 32.35 2nxc s LYS 123 CO 0.41 0.07 -0.23 0.08 -0.76 0.00 0.00 175.35 174.92 2nxc s VAL 124 N 0.88 1.87 -0.21 3.17 1.01 0.50 -0.65 120.40 126.96 2nxc s VAL 124 Ca 0.29 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2nxc s VAL 124 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2nxc s VAL 124 CO 0.12 0.52 0.02 -0.22 0.00 0.00 0.00 175.10 175.55 2nxc s LEU 125 N -0.12 3.33 -0.45 3.92 2.96 -0.17 -0.49 118.68 127.66 2nxc s LEU 125 Ca -0.03 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 2nxc s LEU 125 Cb -0.13 -1.86 0.09 0.00 0.50 0.00 0.00 46.19 44.80 2nxc s LEU 125 CO 0.03 0.04 0.33 -0.62 -1.32 0.00 0.00 176.35 174.81 2nxc s ASP 126 N 1.14 5.79 -0.35 3.68 2.15 0.34 -0.76 116.67 128.66 2nxc s ASP 126 Ca 0.03 -1.63 -0.19 0.00 0.43 0.00 0.00 52.55 51.19 2nxc s ASP 126 Cb -0.14 -2.05 -0.00 0.00 -0.30 0.00 0.00 42.92 40.43 2nxc s ASP 126 CO 0.02 -0.63 0.58 -0.22 -0.17 0.00 0.00 175.17 174.74 2nxc s LEU 127 N 1.45 4.29 0.00 -1.34 2.96 -0.26 -1.30 118.68 124.49 2nxc s LEU 127 Ca 0.04 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2nxc s LEU 127 Cb -0.25 -2.69 0.00 0.00 0.50 0.00 0.00 46.19 43.75 2nxc s LEU 127 CO 0.02 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 2nxc n GLY 128 N 4.70 0.78 0.17 7.98 0.00 0.28 -3.90 105.19 115.20 2nxc n GLY 128 Ca -0.03 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.62 2nxc n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxc h THR 129 N 0.00 1.28 0.00 2.61 1.03 -1.13 -3.44 112.91 113.26 2nxc h THR 129 Ca 0.00 -1.67 0.00 0.00 -0.01 0.00 0.00 66.41 64.73 2nxc h THR 129 Cb 0.81 1.92 0.00 0.00 -1.07 0.00 0.00 68.15 69.80 2nxc h THR 129 CO 0.00 0.47 0.00 0.61 -0.01 0.00 0.00 175.52 176.59 2nxc n GLY 130 N -0.06 3.03 0.20 2.99 0.00 -1.26 -0.75 105.19 109.35 2nxc n GLY 130 Ca -0.01 0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.43 2nxc n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nxc h SER 131 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.41 113.55 114.49 2nxc h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nxc h SER 131 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2nxc h SER 131 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2nxc n GLY 132 N -0.57 0.78 0.31 -0.77 0.00 0.07 -4.12 105.19 100.90 2nxc n GLY 132 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2nxc n GLY 132 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2nxc h VAL 133 N 0.00 0.79 -0.11 1.61 3.04 -1.90 0.12 116.25 119.80 2nxc h VAL 133 Ca 0.00 -0.24 -0.24 0.00 -1.01 0.00 0.00 66.70 65.21 2nxc h VAL 133 Cb 0.00 0.03 0.01 0.00 -2.01 0.00 0.00 31.29 29.32 2nxc h VAL 133 CO 0.00 0.13 -0.85 -0.07 -1.01 0.00 0.00 177.57 175.77 2nxc h LEU 134 N 0.70 0.95 -0.83 3.16 3.38 -1.93 0.02 115.31 120.75 2nxc h LEU 134 Ca 0.45 -0.66 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2nxc h LEU 134 Cb 0.57 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2nxc h LEU 134 CO -0.32 1.46 0.26 0.00 0.09 0.00 0.00 178.44 179.93 2nxc h ALA 135 N 0.51 1.06 -0.11 1.53 0.00 -1.76 0.54 119.26 121.03 2nxc h ALA 135 Ca -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2nxc h ALA 135 Cb 1.49 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2nxc h ALA 135 CO 0.17 0.65 0.02 0.82 0.00 0.00 0.00 179.25 180.91 2nxc h ILE 136 N 1.09 1.21 -0.95 0.00 2.04 -0.89 -2.01 117.51 118.00 2nxc h ILE 136 Ca 0.24 -0.66 0.08 0.00 1.00 0.00 0.00 64.86 65.53 2nxc h ILE 136 Cb 0.26 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 2nxc h ILE 136 CO -0.01 0.19 0.60 0.00 0.00 0.00 0.00 178.15 178.92 2nxc h ALA 137 N 0.80 1.36 -0.65 1.87 0.00 -0.73 -1.51 119.26 120.40 2nxc h ALA 137 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2nxc h ALA 137 Cb 0.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2nxc h ALA 137 CO 0.00 0.30 0.41 0.00 0.00 0.00 0.00 179.25 179.96 2nxc h ALA 138 N 1.47 0.85 -0.66 0.00 0.00 -0.53 -0.94 119.26 119.45 2nxc h ALA 138 Ca 0.43 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 2nxc h ALA 138 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2nxc h ALA 138 CO -0.21 0.17 0.23 0.93 0.00 0.00 0.00 179.25 180.37 2nxc h GLU 139 N 0.81 1.00 -0.09 0.00 4.39 -0.71 0.57 114.58 120.55 2nxc h GLU 139 Ca 0.26 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2nxc h GLU 139 Cb 0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2nxc h GLU 139 CO -0.10 0.86 0.02 0.87 -1.16 0.00 0.00 179.01 179.50 2nxc h LYS 140 N 0.94 0.13 -0.00 2.33 1.79 -0.61 -0.08 116.57 121.06 2nxc h LYS 140 Ca 0.21 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2nxc h LYS 140 Cb 0.26 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2nxc h LYS 140 CO -0.01 0.12 -0.04 1.28 -1.08 0.00 0.00 179.45 179.73 2nxc n LEU 141 N -4.48 0.41 0.00 2.94 4.77 -0.42 -4.90 117.00 115.32 2nxc n LEU 141 Ca -0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2nxc n LEU 141 Cb 0.12 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2nxc n LEU 141 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2nxc n GLY 142 N 1.16 0.87 3.94 -0.72 0.00 -0.04 -4.07 105.19 106.33 2nxc n GLY 142 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2nxc n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nxc s GLY 143 N -1.85 1.74 -0.19 -0.02 0.00 0.15 -0.46 107.32 106.69 2nxc s GLY 143 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2nxc s GLY 143 CO 0.00 -0.62 -0.07 1.25 0.00 0.00 0.00 173.10 173.66 2nxc s LYS 144 N -5.53 1.67 -0.03 2.90 2.47 0.03 -4.12 119.74 117.12 2nxc s LYS 144 Ca 0.68 -0.74 0.03 0.00 -1.56 0.00 0.00 55.97 54.38 2nxc s LYS 144 Cb -0.06 -2.29 -0.03 0.00 -1.46 0.00 0.00 37.83 33.99 2nxc s LYS 144 CO 0.49 -0.47 -0.12 0.00 0.16 0.00 0.00 175.35 175.40 2nxc s ALA 145 N 1.50 2.80 -0.16 3.13 0.00 -1.26 -0.37 121.76 127.39 2nxc s ALA 145 Ca -0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2nxc s ALA 145 Cb -0.16 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2nxc s ALA 145 CO -0.08 0.57 -0.10 -1.17 0.00 0.00 0.00 175.76 174.99 2nxc s LEU 146 N -0.97 2.76 -0.21 0.00 2.96 0.36 -1.22 118.68 122.35 2nxc s LEU 146 Ca 0.13 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 2nxc s LEU 146 Cb -0.11 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2nxc s LEU 146 CO 0.03 0.09 0.04 -0.83 -1.32 0.00 0.00 176.35 174.36 2nxc s GLY 147 N 0.79 1.77 0.08 7.98 0.00 0.29 -0.50 107.32 117.74 2nxc s GLY 147 Ca -0.04 -0.99 0.09 0.00 0.00 0.00 0.00 44.72 43.78 2nxc s GLY 147 CO 0.01 0.30 -0.21 -1.34 0.00 0.00 0.00 173.10 171.87 2nxc s VAL 148 N 1.09 2.64 -0.13 1.40 -7.23 -0.42 -1.38 120.40 116.37 2nxc s VAL 148 Ca 0.03 -1.42 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 2nxc s VAL 148 Cb -0.14 -2.15 0.04 0.00 0.56 0.00 0.00 36.38 34.69 2nxc s VAL 148 CO 0.02 0.21 0.34 -0.62 -0.31 0.00 0.00 175.10 174.75 2nxc s ASP 149 N -1.77 -0.38 0.43 4.85 2.15 -0.92 -0.55 116.67 120.48 2nxc s ASP 149 Ca 0.15 0.71 0.30 0.00 0.43 0.00 0.00 52.55 54.14 2nxc s ASP 149 Cb -0.10 0.66 1.27 0.00 -0.30 0.00 0.00 42.92 44.44 2nxc s ASP 149 CO 0.07 -0.15 1.89 0.16 -0.17 0.00 0.00 175.17 176.97 2nxc h ILE 150 N 5.11 0.00 -3.06 4.11 3.07 -1.79 -0.41 117.51 124.54 2nxc h ILE 150 Ca -0.32 -0.35 -0.71 0.00 1.55 0.00 0.00 64.86 65.03 2nxc h ILE 150 Cb 1.18 1.23 -0.20 0.00 -0.27 0.00 0.00 36.82 38.76 2nxc h ILE 150 CO 0.31 0.00 0.03 -0.62 -1.05 0.00 0.00 178.15 176.82 2nxc s ASP 151 N -5.02 6.19 0.64 2.16 -1.08 -1.26 -4.67 116.67 113.62 2nxc s ASP 151 Ca 0.02 -1.30 0.39 0.00 -0.52 0.00 0.00 52.55 51.13 2nxc s ASP 151 Cb 0.09 -2.28 2.18 0.00 -1.46 0.00 0.00 42.92 41.46 2nxc s ASP 151 CO 0.46 -0.99 2.32 1.55 0.52 0.00 0.00 175.17 179.04 2nxc h PRO 152 N 9.07 0.00 0.00 4.34 0.13 -1.97 -2.87 132.00 140.70 2nxc h PRO 152 Ca -0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2nxc h PRO 152 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2nxc h PRO 152 CO 1.04 0.00 -0.10 0.52 -0.23 0.00 0.00 178.00 179.23 2nxc h MET 153 N 0.00 0.00 0.00 0.86 2.86 -1.95 -2.42 114.93 114.28 2nxc h MET 153 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2nxc h MET 153 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2nxc h MET 153 CO 0.00 0.10 -0.19 -0.39 1.06 0.00 0.00 176.91 177.49 2nxc h VAL 154 N 0.00 0.00 -0.45 -2.22 -1.51 -1.84 -3.39 116.25 106.84 2nxc h VAL 154 Ca -0.00 -0.83 -0.11 0.00 -1.23 0.00 0.00 66.70 64.53 2nxc h VAL 154 Cb 0.23 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 2nxc h VAL 154 CO 0.01 0.00 -0.14 -0.07 -1.23 0.00 0.00 177.57 176.14 2nxc h LEU 155 N 0.00 0.90 -1.22 4.19 3.38 -1.61 -1.74 115.31 119.22 2nxc h LEU 155 Ca 0.00 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.65 2nxc h LEU 155 Cb 0.92 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2nxc h LEU 155 CO 0.00 1.07 0.55 -0.65 0.09 0.00 0.00 178.44 179.50 2nxc h PRO 156 N 0.73 0.94 -0.27 1.13 0.11 -1.76 0.43 132.00 133.31 2nxc h PRO 156 Ca 0.11 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.03 2nxc h PRO 156 Cb 0.69 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2nxc h PRO 156 CO 0.05 0.62 -0.40 0.37 -0.21 0.00 0.00 178.00 178.44 2nxc h GLN 157 N 0.97 0.64 -0.43 1.05 5.75 -1.74 -1.22 115.11 120.13 2nxc h GLN 157 Ca 0.35 -0.33 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2nxc h GLN 157 Cb 0.16 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 2nxc h GLN 157 CO -0.12 0.93 0.26 0.00 -2.65 0.00 0.00 178.83 177.25 2nxc h ALA 158 N 1.03 0.54 -0.59 3.38 0.00 -0.55 0.14 119.26 123.22 2nxc h ALA 158 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2nxc h ALA 158 Cb 0.92 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2nxc h ALA 158 CO 0.08 -0.05 0.35 0.93 0.00 0.00 0.00 179.25 180.56 2nxc h GLU 159 N 0.53 0.80 -0.59 0.00 4.39 -0.79 -0.54 114.58 118.38 2nxc h GLU 159 Ca 0.17 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2nxc h GLU 159 Cb -0.01 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 2nxc h GLU 159 CO -0.07 0.58 0.29 0.00 -1.16 0.00 0.00 179.01 178.66 2nxc h ALA 160 N 1.17 0.76 -0.53 3.43 0.00 -0.80 -1.35 119.26 121.94 2nxc h ALA 160 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2nxc h ALA 160 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2nxc h ALA 160 CO -0.04 0.31 0.35 -0.91 0.00 0.00 0.00 179.25 178.96 2nxc h ASN 161 N 0.80 0.61 -0.22 0.00 2.35 -0.43 -1.29 115.58 117.41 2nxc h ASN 161 Ca 0.20 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2nxc h ASN 161 Cb 0.10 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2nxc h ASN 161 CO -0.03 0.45 0.13 0.00 -1.65 0.00 0.00 177.43 176.33 2nxc h ALA 162 N 1.19 0.27 -0.75 -0.83 0.00 -0.73 -1.84 119.26 116.58 2nxc h ALA 162 Ca 0.19 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2nxc h ALA 162 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2nxc h ALA 162 CO -0.04 -0.27 0.46 0.87 0.00 0.00 0.00 179.25 180.27 2nxc h LYS 163 N 0.27 0.87 0.00 0.00 1.57 -1.03 -0.59 116.57 117.66 2nxc h LYS 163 Ca 0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2nxc h LYS 163 Cb -0.01 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 2nxc h LYS 163 CO -0.04 0.58 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.22 2nxc h ARG 164 N 0.90 0.00 -0.17 3.15 9.65 -0.56 -1.20 114.38 126.16 2nxc h ARG 164 Ca 0.31 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 2nxc h ARG 164 Cb 0.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2nxc h ARG 164 CO -0.12 0.11 0.00 0.09 2.80 0.00 0.00 179.97 182.84 2nxc n ASN 165 N -4.10 1.80 -2.49 -3.80 3.02 -0.29 -4.95 115.26 104.46 2nxc n ASN 165 Ca -0.02 -1.72 -0.21 0.00 -0.03 0.00 0.00 54.58 52.60 2nxc n ASN 165 Cb 0.19 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2nxc n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nxc n GLY 166 N 1.16 -0.47 3.27 7.41 0.00 -0.45 -5.02 105.19 111.09 2nxc n GLY 166 Ca 0.17 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2nxc n GLY 166 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nxc s VAL 167 N -3.06 1.07 -0.45 1.61 -7.23 -0.96 -5.04 120.40 106.35 2nxc s VAL 167 Ca 0.08 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2nxc s VAL 167 Cb -0.04 -2.02 0.16 0.00 0.56 0.00 0.00 36.38 35.04 2nxc s VAL 167 CO 0.10 -0.59 0.33 -0.13 -0.31 0.00 0.00 175.10 174.50 2nxc s ARG 168 N -3.80 1.12 0.97 4.82 1.81 -1.26 -3.75 118.95 118.85 2nxc s ARG 168 Ca 0.21 -2.16 -0.11 0.00 -1.72 0.00 0.00 55.73 51.94 2nxc s ARG 168 Cb 0.04 -1.78 0.17 0.00 -0.45 0.00 0.00 34.95 32.93 2nxc s ARG 168 CO 0.03 -1.32 1.09 -2.14 -0.68 0.00 0.00 175.30 172.28 2nxc s PRO 169 N 0.02 0.67 0.04 3.54 0.02 -1.26 -4.93 135.00 133.10 2nxc s PRO 169 Ca 0.28 1.02 -0.22 0.00 0.02 0.00 0.00 61.00 62.10 2nxc s PRO 169 Cb -0.04 -1.73 -0.06 0.00 0.02 0.00 0.00 34.50 32.69 2nxc s PRO 169 CO -0.14 -2.70 0.65 0.50 -0.33 0.00 0.00 177.00 174.98 2nxc s ARG 170 N -4.74 4.37 -0.06 5.54 3.52 -0.35 -4.97 118.95 122.27 2nxc s ARG 170 Ca 0.65 0.86 0.06 0.00 -0.13 0.00 0.00 55.73 57.18 2nxc s ARG 170 Cb -0.21 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2nxc s ARG 170 CO 0.59 0.40 -0.24 -0.06 -0.81 0.00 0.00 175.30 175.18 2nxc s PHE 171 N -0.37 2.37 0.00 5.12 0.40 -1.26 -0.55 117.98 123.69 2nxc s PHE 171 Ca 0.33 -0.70 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2nxc s PHE 171 Cb -0.19 -1.55 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 2nxc s PHE 171 CO 0.20 -0.21 -0.03 -1.17 0.70 0.00 0.00 175.22 174.71 2nxc s LEU 172 N -0.16 2.05 0.09 -0.37 2.96 -0.48 -4.98 118.68 117.79 2nxc s LEU 172 Ca -0.03 -0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 2nxc s LEU 172 Cb -0.13 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.40 2nxc s LEU 172 CO 0.03 -0.03 0.99 -0.70 -1.32 0.00 0.00 176.35 175.32 2nxc s GLU 173 N -0.35 4.65 0.00 1.98 2.12 -1.26 -2.15 118.70 123.68 2nxc s GLU 173 Ca -0.02 1.48 0.00 0.00 0.36 0.00 0.00 54.97 56.79 2nxc s GLU 173 Cb -0.03 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2nxc s GLU 173 CO -0.00 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 2nxc n GLY 174 N 2.44 0.59 0.00 -1.50 0.00 -0.16 -4.86 105.19 101.70 2nxc n GLY 174 Ca 0.04 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2nxc n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2nxc n SER 175 N 3.00 0.00 -0.37 1.61 2.88 -1.26 -2.35 113.62 117.13 2nxc n SER 175 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2nxc n SER 175 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 2nxc n SER 175 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2nxc h LEU 176 N 0.00 1.12 -0.80 2.46 5.85 -2.00 -2.61 115.31 119.33 2nxc h LEU 176 Ca 0.00 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.77 2nxc h LEU 176 Cb 0.00 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.69 2nxc h LEU 176 CO 0.00 0.81 0.47 -0.33 -0.34 0.00 0.00 178.44 179.05 2nxc h GLU 177 N 1.32 0.81 0.00 1.25 3.07 -2.01 -2.13 114.58 116.89 2nxc h GLU 177 Ca 0.37 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 2nxc h GLU 177 Cb -0.12 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.60 2nxc h GLU 177 CO -0.09 0.53 -0.09 0.00 -1.40 0.00 0.00 179.01 177.97 2nxc h ALA 178 N 1.42 1.17 0.00 3.43 0.00 -1.83 -3.06 119.26 120.38 2nxc h ALA 178 Ca 0.37 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.96 2nxc h ALA 178 Cb 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2nxc h ALA 178 CO -0.21 0.11 -1.38 0.00 0.00 0.00 0.00 179.25 177.77 2nxc h ALA 179 N 1.91 0.63 -0.87 0.00 0.00 -1.38 -3.39 119.26 116.16 2nxc h ALA 179 Ca -0.00 -1.15 0.14 0.00 0.00 0.00 0.00 54.91 53.90 2nxc h ALA 179 Cb 0.35 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2nxc h ALA 179 CO 0.01 1.34 0.47 -0.07 0.00 0.00 0.00 179.25 181.00 2nxc h LEU 180 N 0.00 0.60 -1.76 0.00 4.07 -1.42 0.17 115.31 116.97 2nxc h LEU 180 Ca -0.17 0.08 0.25 0.00 0.08 0.00 0.00 57.88 58.12 2nxc h LEU 180 Cb 1.84 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 43.53 2nxc h LEU 180 CO 0.09 0.27 0.79 -0.65 -1.08 0.00 0.00 178.44 177.86 2nxc h PRO 181 N 0.69 0.00 -0.02 1.13 0.11 -1.78 0.51 132.00 132.64 2nxc h PRO 181 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2nxc h PRO 181 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2nxc h PRO 181 CO -0.34 0.00 -0.21 1.19 -0.21 0.00 0.00 178.00 178.43 2nxc n PHE 182 N -3.75 0.00 -1.90 0.65 3.01 0.59 -4.95 117.46 111.11 2nxc n PHE 182 Ca 0.18 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.61 2nxc n PHE 182 Cb 1.08 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 40.55 2nxc n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nxc n GLY 183 N 1.36 0.14 3.78 1.37 0.00 0.17 -4.85 105.19 107.16 2nxc n GLY 183 Ca 0.12 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 2nxc n GLY 183 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nxc s PRO 184 N -2.86 1.08 0.15 1.61 0.04 -1.26 -5.06 135.00 128.70 2nxc s PRO 184 Ca 0.07 0.30 0.08 0.00 0.04 0.00 0.00 61.00 61.49 2nxc s PRO 184 Cb -0.00 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2nxc s PRO 184 CO 0.05 -2.24 -0.09 -0.06 0.04 0.00 0.00 177.00 174.70 2nxc s PHE 185 N -3.26 2.68 0.13 0.56 0.40 0.22 -4.87 117.98 113.84 2nxc s PHE 185 Ca 0.64 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 2nxc s PHE 185 Cb -0.15 -1.35 -0.12 0.00 0.51 0.00 0.00 43.02 41.92 2nxc s PHE 185 CO 0.54 0.48 1.29 -0.44 0.70 0.00 0.00 175.22 177.78 2nxc h ASP 186 N 3.18 0.31 -3.77 1.36 5.19 -1.20 -1.76 116.42 119.72 2nxc h ASP 186 Ca -0.48 -0.28 -0.17 0.00 -0.62 0.00 0.00 57.03 55.48 2nxc h ASP 186 Cb 1.19 -0.10 -0.26 0.00 0.18 0.00 0.00 39.33 40.34 2nxc h ASP 186 CO 0.53 1.13 -0.46 -0.22 -3.12 0.00 0.00 179.24 177.11 2nxc s LEU 187 N -7.31 1.06 -0.07 1.55 0.20 -0.92 -0.91 118.68 112.28 2nxc s LEU 187 Ca -0.03 0.46 0.05 0.00 0.69 0.00 0.00 54.13 55.30 2nxc s LEU 187 Cb 0.09 0.77 -0.01 0.00 -0.43 0.00 0.00 46.19 46.61 2nxc s LEU 187 CO 0.85 -0.09 -0.21 -0.22 -0.29 0.00 0.00 176.35 176.39 2nxc s LEU 188 N 0.23 2.29 -0.06 -0.68 0.20 0.03 -1.00 118.68 119.70 2nxc s LEU 188 Ca -0.01 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.43 2nxc s LEU 188 Cb -0.02 -1.44 -0.00 0.00 -0.43 0.00 0.00 46.19 44.29 2nxc s LEU 188 CO -0.01 0.25 -0.21 0.54 -0.29 0.00 0.00 176.35 176.63 2nxc s VAL 189 N -0.17 1.77 -0.21 1.68 0.11 0.06 -0.28 120.40 123.36 2nxc s VAL 189 Ca -0.02 -0.89 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 2nxc s VAL 189 Cb -0.14 -1.51 0.10 0.00 -1.53 0.00 0.00 36.38 33.30 2nxc s VAL 189 CO 0.04 0.50 0.23 0.00 -3.33 0.00 0.00 175.10 172.53 2nxc s ALA 190 N 0.04 -0.28 -0.87 1.54 0.00 -0.26 -1.10 121.76 120.83 2nxc s ALA 190 Ca -0.07 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 2nxc s ALA 190 Cb -0.14 -1.36 0.21 0.00 0.00 0.00 0.00 23.12 21.83 2nxc s ALA 190 CO 0.04 -1.26 0.85 1.21 0.00 0.00 0.00 175.76 176.60 2nxc s ASN 191 N 2.33 6.81 0.00 0.00 3.84 -1.25 -1.10 114.94 125.57 2nxc s ASN 191 Ca 0.07 -2.71 0.00 0.00 0.21 0.00 0.00 52.86 50.43 2nxc s ASN 191 Cb -0.16 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.31 2nxc s ASN 191 CO -0.14 -0.60 0.00 0.18 -2.79 0.00 0.00 177.10 173.75 2nxc n LEU 192 N 4.16 0.00 -3.52 3.21 4.77 -0.54 -4.84 117.00 120.23 2nxc n LEU 192 Ca 0.16 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2nxc n LEU 192 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2nxc n LEU 192 CO 0.37 0.00 0.30 -0.72 -1.33 0.00 0.00 177.39 176.01 2nxc s TYR 193 N 2.68 -0.42 0.19 -1.77 -0.85 -1.26 -4.31 117.35 111.62 2nxc s TYR 193 Ca 0.00 0.25 -0.12 0.00 -0.52 0.00 0.00 57.07 56.69 2nxc s TYR 193 Cb 0.00 0.42 0.22 0.00 0.38 0.00 0.00 41.96 42.98 2nxc s TYR 193 CO 0.00 -0.75 1.72 0.00 -1.52 0.00 0.00 175.55 175.00 2nxc h ALA 194 N 2.31 0.64 -0.12 9.51 0.00 -1.88 -1.86 119.26 127.85 2nxc h ALA 194 Ca -0.33 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2nxc h ALA 194 Cb 1.27 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2nxc h ALA 194 CO 0.41 -0.27 -0.30 0.93 0.00 0.00 0.00 179.25 180.03 2nxc h GLU 195 N 0.29 0.23 -0.09 0.00 3.07 -1.96 -0.41 114.58 115.72 2nxc h GLU 195 Ca 0.27 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.90 2nxc h GLU 195 Cb 0.36 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2nxc h GLU 195 CO -0.32 0.51 -0.52 1.25 -1.40 0.00 0.00 179.01 178.53 2nxc h LEU 196 N 0.21 0.61 -0.54 1.33 5.85 -1.81 -2.09 115.31 118.86 2nxc h LEU 196 Ca 0.03 -0.66 0.09 0.00 0.84 0.00 0.00 57.88 58.18 2nxc h LEU 196 Cb 0.63 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 2nxc h LEU 196 CO 0.05 1.17 0.14 0.45 -0.34 0.00 0.00 178.44 179.91 2nxc h HIS 197 N 0.09 0.24 -0.74 1.25 3.86 -0.98 -1.18 115.15 117.68 2nxc h HIS 197 Ca -0.04 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2nxc h HIS 197 Cb 1.17 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.58 2nxc h HIS 197 CO 0.12 0.03 0.49 0.00 0.86 0.00 0.00 177.93 179.43 2nxc h ALA 198 N 1.40 0.95 -0.34 2.45 0.00 -0.99 -0.51 119.26 122.22 2nxc h ALA 198 Ca 0.27 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2nxc h ALA 198 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2nxc h ALA 198 CO -0.32 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.24 2nxc h ALA 199 N 1.28 1.31 0.00 0.00 0.00 -0.87 -3.21 119.26 117.77 2nxc h ALA 199 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2nxc h ALA 199 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2nxc h ALA 199 CO -0.07 0.47 -0.72 1.28 0.00 0.00 0.00 179.25 180.21 2nxc n LEU 200 N -4.25 0.62 -0.30 0.00 4.32 -0.49 -4.52 117.00 112.36 2nxc n LEU 200 Ca 0.01 0.05 0.07 0.00 -0.02 0.00 0.00 56.01 56.12 2nxc n LEU 200 Cb 0.27 -0.17 0.18 0.00 -1.62 0.00 0.00 43.42 42.07 2nxc n LEU 200 CO 0.39 0.05 0.76 0.00 -1.22 0.00 0.00 177.39 177.37 2nxc h ALA 201 N 2.70 0.80 0.00 -1.18 0.00 -1.11 0.40 119.26 120.87 2nxc h ALA 201 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2nxc h ALA 201 Cb 0.65 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2nxc h ALA 201 CO 0.00 -0.45 -0.21 -1.35 0.00 0.00 0.00 179.25 177.24 2nxc h PRO 202 N 0.04 0.00 0.00 0.00 0.11 -1.84 -2.28 132.00 128.02 2nxc h PRO 202 Ca 0.47 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.37 2nxc h PRO 202 Cb 0.83 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 2nxc h PRO 202 CO -0.84 0.21 -1.00 0.00 -0.21 0.00 0.00 178.00 176.16 2nxc h ARG 203 N 0.00 0.00 -0.68 1.05 3.08 -0.61 -2.97 114.38 114.26 2nxc h ARG 203 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2nxc h ARG 203 Cb 0.57 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 2nxc h ARG 203 CO 0.03 0.99 0.39 1.88 -1.07 0.00 0.00 179.97 182.18 2nxc h TYR 204 N 0.00 0.71 -0.64 3.04 0.99 -0.51 -1.25 116.97 119.32 2nxc h TYR 204 Ca -0.01 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.79 2nxc h TYR 204 Cb 1.77 -0.22 -0.05 0.00 1.00 0.00 0.00 36.73 39.23 2nxc h TYR 204 CO 0.00 0.36 0.37 -0.09 -0.00 0.00 0.00 178.16 178.80 2nxc h ARG 205 N 0.72 0.68 0.00 4.88 2.43 -1.32 -2.37 114.38 119.40 2nxc h ARG 205 Ca 0.30 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2nxc h ARG 205 Cb 0.16 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2nxc h ARG 205 CO -0.17 0.45 -0.26 0.93 -1.51 0.00 0.00 179.97 179.42 2nxc h GLU 206 N 0.71 0.00 0.00 0.20 4.39 -1.27 -2.97 114.58 115.63 2nxc h GLU 206 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2nxc h GLU 206 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2nxc h GLU 206 CO -0.15 0.26 0.00 0.00 -1.16 0.00 0.00 179.01 177.96 2nxc h ALA 207 N 1.74 1.00 -3.70 3.43 0.00 -0.71 -3.46 119.26 117.56 2nxc h ALA 207 Ca -0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 2nxc h ALA 207 Cb 0.72 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.33 2nxc h ALA 207 CO 0.03 0.00 -0.73 -0.51 0.00 0.00 0.00 179.25 178.04 2nxc s LEU 208 N -5.69 3.03 0.69 0.00 1.43 -1.12 -0.61 118.68 116.41 2nxc s LEU 208 Ca 0.07 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 2nxc s LEU 208 Cb 0.07 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2nxc s LEU 208 CO 0.63 0.28 1.10 0.68 0.23 0.00 0.00 176.35 179.26 2nxc s VAL 209 N -0.98 3.37 0.27 -1.59 -7.23 -0.66 -4.85 120.40 108.74 2nxc s VAL 209 Ca 0.16 0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 60.60 2nxc s VAL 209 Cb -0.11 -3.09 -0.13 0.00 0.56 0.00 0.00 36.38 33.61 2nxc s VAL 209 CO 0.07 -0.47 1.40 -2.65 -0.31 0.00 0.00 175.10 173.14 2nxc n PRO 210 N -2.77 2.13 -0.42 4.82 -0.02 -1.26 -0.91 135.00 136.57 2nxc n PRO 210 Ca 0.10 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2nxc n PRO 210 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2nxc n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxc n GLY 211 N 1.85 1.27 3.85 -1.23 0.00 -1.22 -5.01 105.19 104.70 2nxc n GLY 211 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2nxc n GLY 211 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nxc s GLY 212 N -1.79 1.62 0.01 -0.02 0.00 -0.09 -4.60 107.32 102.45 2nxc s GLY 212 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 44.72 44.07 2nxc s GLY 212 CO 0.00 -0.14 -0.21 0.50 0.00 0.00 0.00 173.10 173.26 2nxc s ARG 213 N -5.53 1.55 -0.12 2.90 1.81 -0.09 0.40 118.95 119.87 2nxc s ARG 213 Ca 0.65 -0.82 0.02 0.00 -1.72 0.00 0.00 55.73 53.86 2nxc s ARG 213 Cb -0.11 -1.57 0.02 0.00 -0.45 0.00 0.00 34.95 32.84 2nxc s ARG 213 CO 0.51 0.42 -0.16 0.00 -0.68 0.00 0.00 175.30 175.39 2nxc s ALA 214 N -0.61 1.78 -0.29 2.13 0.00 -0.28 -0.79 121.76 123.71 2nxc s ALA 214 Ca 0.08 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 2nxc s ALA 214 Cb -0.08 -0.89 0.05 0.00 0.00 0.00 0.00 23.12 22.19 2nxc s ALA 214 CO 0.00 -0.13 -0.02 -0.51 0.00 0.00 0.00 175.76 175.11 2nxc s LEU 215 N 1.06 3.73 -0.18 0.00 1.43 0.62 -0.71 118.68 124.62 2nxc s LEU 215 Ca -0.05 -1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 51.85 2nxc s LEU 215 Cb -0.15 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 2nxc s LEU 215 CO -0.03 -0.23 -0.12 -0.76 0.23 0.00 0.00 176.35 175.44 2nxc s LEU 216 N 1.26 2.59 0.00 1.79 1.02 -0.28 -1.10 118.68 123.97 2nxc s LEU 216 Ca -0.04 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.65 2nxc s LEU 216 Cb -0.19 -1.62 -0.00 0.00 0.02 0.00 0.00 46.19 44.40 2nxc s LEU 216 CO -0.02 0.04 0.02 1.07 0.02 0.00 0.00 176.35 177.47 2nxc n THR 217 N 4.40 0.00 -0.96 5.49 5.66 -0.25 -0.96 114.28 127.65 2nxc n THR 217 Ca -0.19 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 2nxc n THR 217 Cb 0.51 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 2nxc n THR 217 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2nxc n GLY 218 N 0.94 0.46 3.58 1.09 0.00 -1.25 -1.47 105.19 108.52 2nxc n GLY 218 Ca 0.00 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 2nxc n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nxc s ILE 219 N -2.00 5.08 0.34 -0.61 1.01 -1.23 -4.06 121.20 119.74 2nxc s ILE 219 Ca 0.00 0.45 -0.28 0.00 0.00 0.00 0.00 60.65 60.82 2nxc s ILE 219 Cb 0.00 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.51 2nxc s ILE 219 CO 0.00 -0.06 1.31 -0.76 0.00 0.00 0.00 174.94 175.43 2nxc s LEU 220 N 2.25 4.39 0.25 2.97 1.02 -1.26 -0.28 118.68 128.02 2nxc s LEU 220 Ca 0.17 2.69 -0.07 0.00 0.02 0.00 0.00 54.13 56.95 2nxc s LEU 220 Cb -0.16 -3.69 0.45 0.00 0.02 0.00 0.00 46.19 42.81 2nxc s LEU 220 CO 0.12 -0.59 1.63 0.11 0.02 0.00 0.00 176.35 177.63 2nxc h LYS 221 N 3.26 0.09 0.00 1.70 1.57 -1.45 0.81 116.57 122.54 2nxc h LYS 221 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2nxc h LYS 221 Cb 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2nxc h LYS 221 CO 0.65 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 179.19 2nxc n ASP 222 N -5.37 0.00 -0.63 0.86 3.85 -1.26 -2.00 116.55 112.00 2nxc n ASP 222 Ca 0.14 0.13 0.10 0.00 -0.71 0.00 0.00 54.79 54.44 2nxc n ASP 222 Cb 0.49 -0.34 0.05 0.00 -1.35 0.00 0.00 41.12 39.97 2nxc n ASP 222 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2nxc n ARG 223 N -1.34 1.64 -0.28 0.11 1.74 0.24 -4.59 116.66 114.19 2nxc n ARG 223 Ca 0.08 -1.35 0.01 0.00 -0.77 0.00 0.00 57.85 55.82 2nxc n ARG 223 Cb 0.17 -1.37 0.14 0.00 -1.02 0.00 0.00 32.46 30.38 2nxc n ARG 223 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nxc h ALA 224 N 3.60 1.08 -0.95 7.54 0.00 -1.01 -2.16 119.26 127.35 2nxc h ALA 224 Ca 0.00 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.15 2nxc h ALA 224 Cb 0.74 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2nxc h ALA 224 CO 0.00 0.12 0.62 -1.35 0.00 0.00 0.00 179.25 178.64 2nxc h PRO 225 N 0.79 0.43 -0.74 0.00 0.11 -1.81 -0.37 132.00 130.41 2nxc h PRO 225 Ca 0.36 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.43 2nxc h PRO 225 Cb 0.27 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 2nxc h PRO 225 CO -0.21 0.28 0.41 -0.07 -0.21 0.00 0.00 178.00 178.20 2nxc h LEU 226 N 0.44 0.92 -0.11 2.35 3.38 -1.72 -1.50 115.31 119.07 2nxc h LEU 226 Ca 0.51 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 2nxc h LEU 226 Cb 1.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2nxc h LEU 226 CO -0.22 0.75 -0.30 0.58 0.09 0.00 0.00 178.44 179.34 2nxc h VAL 227 N 1.02 1.39 -0.58 1.22 2.07 -1.16 -1.69 116.25 118.52 2nxc h VAL 227 Ca 0.26 -1.62 0.10 0.00 0.82 0.00 0.00 66.70 66.27 2nxc h VAL 227 Cb 0.03 2.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 2nxc h VAL 227 CO -0.04 0.47 0.14 0.03 0.02 0.00 0.00 177.57 178.19 2nxc h ARG 228 N -0.05 0.27 -0.12 1.57 3.08 -1.03 0.17 114.38 118.27 2nxc h ARG 228 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2nxc h ARG 228 Cb 0.91 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2nxc h ARG 228 CO 0.06 0.18 0.04 1.49 -1.07 0.00 0.00 179.97 180.67 2nxc h GLU 229 N 0.27 0.18 -0.66 0.04 4.81 -1.23 -1.20 114.58 116.79 2nxc h GLU 229 Ca 0.30 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2nxc h GLU 229 Cb 0.43 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2nxc h GLU 229 CO -0.38 0.31 0.10 0.00 -0.73 0.00 0.00 179.01 178.32 2nxc h ALA 230 N 0.86 0.87 -0.41 2.92 0.00 -0.95 -1.05 119.26 121.50 2nxc h ALA 230 Ca 0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 2nxc h ALA 230 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2nxc h ALA 230 CO -0.00 0.64 -0.33 0.52 0.00 0.00 0.00 179.25 180.08 2nxc h MET 231 N 1.01 0.96 -0.64 0.00 2.86 -0.91 -1.75 114.93 116.47 2nxc h MET 231 Ca 0.20 -0.48 0.01 0.00 -2.06 0.00 0.00 59.70 57.37 2nxc h MET 231 Cb 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2nxc h MET 231 CO 0.01 1.14 0.42 0.00 1.06 0.00 0.00 176.91 179.54 2nxc h ALA 232 N 0.80 0.81 -0.58 6.32 0.00 -1.08 -1.88 119.26 123.64 2nxc h ALA 232 Ca 0.08 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2nxc h ALA 232 Cb 0.93 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2nxc h ALA 232 CO 0.09 0.23 0.39 0.78 0.00 0.00 0.00 179.25 180.74 2nxc h GLY 233 N 0.86 0.70 -0.31 0.00 0.00 -0.91 -1.14 103.07 102.28 2nxc h GLY 233 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2nxc h GLY 233 CO -0.05 0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.66 2nxc n ALA 234 N -2.48 2.56 -0.58 3.60 0.00 -0.68 -4.92 120.51 118.00 2nxc n ALA 234 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2nxc n ALA 234 Cb 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2nxc n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nxc n GLY 235 N 1.05 0.66 3.85 0.00 0.00 -0.43 -4.88 105.19 105.44 2nxc n GLY 235 Ca 0.17 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 2nxc n GLY 235 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nxc s PHE 236 N -2.00 3.41 -0.10 1.61 0.40 -0.74 -4.88 117.98 115.67 2nxc s PHE 236 Ca 0.00 1.30 -0.01 0.00 -0.60 0.00 0.00 56.93 57.62 2nxc s PHE 236 Cb 0.00 -2.63 -0.03 0.00 0.51 0.00 0.00 43.02 40.87 2nxc s PHE 236 CO 0.00 -0.11 -0.04 -0.98 0.70 0.00 0.00 175.22 174.79 2nxc s ARG 237 N -3.51 3.13 0.22 0.44 1.70 -0.34 -4.41 118.95 116.19 2nxc s ARG 237 Ca 0.56 -0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 55.02 2nxc s ARG 237 Cb -0.10 -2.75 -0.09 0.00 -0.57 0.00 0.00 34.95 31.44 2nxc s ARG 237 CO 0.24 0.52 1.17 -1.25 -1.08 0.00 0.00 175.30 174.90 2nxc s PRO 238 N -0.42 4.53 -0.10 3.89 0.04 -1.26 -0.76 135.00 140.93 2nxc s PRO 238 Ca 0.07 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 2nxc s PRO 238 Cb -0.12 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 2nxc s PRO 238 CO 0.02 0.00 -0.10 1.28 0.04 0.00 0.00 177.00 178.25 2nxc n LEU 239 N 1.97 2.14 -3.65 -3.56 4.77 0.40 -4.88 117.00 114.20 2nxc n LEU 239 Ca 0.02 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 2nxc n LEU 239 Cb 0.45 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2nxc n LEU 239 CO 0.55 0.49 0.23 -0.70 -1.33 0.00 0.00 177.39 176.64 2nxc s GLU 240 N -2.19 0.80 0.03 3.23 2.12 -1.14 -5.02 118.70 116.53 2nxc s GLU 240 Ca -0.13 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.46 2nxc s GLU 240 Cb 0.04 0.37 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 2nxc s GLU 240 CO 0.20 -0.21 -0.09 -1.21 -0.54 0.00 0.00 175.26 173.42 2nxc s GLU 241 N -0.84 0.60 0.04 4.30 2.02 -1.26 -1.13 118.70 122.43 2nxc s GLU 241 Ca -0.09 -0.57 -0.10 0.00 0.02 0.00 0.00 54.97 54.23 2nxc s GLU 241 Cb -0.03 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 33.71 2nxc s GLU 241 CO 0.05 0.12 0.20 0.00 0.02 0.00 0.00 175.26 175.65 2nxc s ALA 242 N -0.83 -0.36 0.07 5.21 0.00 -0.55 -5.00 121.76 120.29 2nxc s ALA 242 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.65 2nxc s ALA 242 Cb -0.07 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2nxc s ALA 242 CO 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 175.76 175.32 2nxc s ALA 243 N -2.66 0.75 -0.10 0.00 0.00 -1.26 -0.47 121.76 118.03 2nxc s ALA 243 Ca -0.04 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 2nxc s ALA 243 Cb -0.01 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.28 2nxc s ALA 243 CO -0.04 -0.16 0.23 -2.00 0.00 0.00 0.00 175.76 173.79 2nxc s GLU 244 N -2.88 0.19 5.41 0.00 2.12 -0.20 -5.00 118.70 118.34 2nxc s GLU 244 Ca 0.02 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2nxc s GLU 244 Cb -0.01 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.26 2nxc s GLU 244 CO -0.03 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 2nxc n GLY 245 N 4.17 2.93 0.51 -1.50 0.00 -1.26 -1.62 105.19 108.42 2nxc n GLY 245 Ca -0.25 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.58 2nxc n GLY 245 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nxc n GLU 246 N 14.00 1.65 -4.52 1.61 -0.58 -1.26 -4.91 120.64 126.63 2nxc n GLU 246 Ca 0.00 -1.00 -0.34 0.00 -0.42 0.00 0.00 57.16 55.40 2nxc n GLU 246 Cb 0.00 -1.26 -0.10 0.00 -0.57 0.00 0.00 31.44 29.50 2nxc n GLU 246 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2nxc s TRP 247 N -1.67 3.00 0.14 -0.32 0.52 -0.64 -1.10 118.94 118.86 2nxc s TRP 247 Ca 0.22 0.06 0.08 0.00 0.02 0.00 0.00 56.10 56.49 2nxc s TRP 247 Cb 0.12 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 2nxc s TRP 247 CO 0.16 0.38 -0.20 0.14 0.02 0.00 0.00 176.95 177.46 2nxc s VAL 248 N -0.87 1.79 -0.07 4.03 -7.23 0.61 -1.04 120.40 117.63 2nxc s VAL 248 Ca 0.14 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 2nxc s VAL 248 Cb -0.11 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 2nxc s VAL 248 CO 0.03 -0.19 -0.24 -0.22 -0.31 0.00 0.00 175.10 174.17 2nxc s LEU 249 N -2.32 2.13 -0.12 1.32 0.20 0.38 -3.52 118.68 116.76 2nxc s LEU 249 Ca 0.12 -0.50 0.02 0.00 0.69 0.00 0.00 54.13 54.46 2nxc s LEU 249 Cb -0.08 -1.40 -0.00 0.00 -0.43 0.00 0.00 46.19 44.28 2nxc s LEU 249 CO 0.06 0.23 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.38 2nxc s LEU 250 N -0.05 2.26 -0.12 -0.68 1.43 -0.14 -1.48 118.68 119.90 2nxc s LEU 250 Ca -0.07 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2nxc s LEU 250 Cb -0.15 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 2nxc s LEU 250 CO 0.05 0.14 -0.10 0.00 0.23 0.00 0.00 176.35 176.67 2nxc s ALA 251 N 0.48 2.79 0.07 4.21 0.00 -0.29 -1.12 121.76 127.89 2nxc s ALA 251 Ca -0.14 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.00 2nxc s ALA 251 Cb -0.17 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2nxc s ALA 251 CO 0.05 0.33 -0.16 0.71 0.00 0.00 0.00 175.76 176.69 2nxc s TYR 252 N 0.05 1.39 0.07 0.00 1.51 0.11 -0.45 117.35 120.03 2nxc s TYR 252 Ca -0.03 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 2nxc s TYR 252 Cb -0.14 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.88 2nxc s TYR 252 CO 0.04 0.09 0.04 0.20 -1.11 0.00 0.00 175.55 174.80 2nxc s GLY 253 N -1.56 1.97 0.00 0.71 0.00 0.06 -1.12 107.32 107.38 2nxc s GLY 253 Ca 0.02 -1.03 0.10 0.00 0.00 0.00 0.00 44.72 43.80 2nxc s GLY 253 CO 0.02 -1.00 0.82 -2.13 0.00 0.00 0.00 173.10 170.81