#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0i h GLU 9 N 0.00 0.24 -1.00 0.54 5.08 -1.95 -3.31 114.58 114.18 1x0i h GLU 9 Ca 0.00 -0.18 0.22 0.00 -1.00 0.00 0.00 59.36 58.39 1x0i h GLU 9 Cb 0.00 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.17 1x0i h GLU 9 CO 0.00 0.81 0.60 0.11 -1.00 0.00 0.00 179.01 179.54 1x0i h TRP 10 N 0.17 1.05 0.00 4.33 5.08 -1.97 0.30 115.95 124.92 1x0i h TRP 10 Ca -0.01 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 1x0i h TRP 10 Cb 1.18 -0.31 -0.00 0.00 -3.00 0.00 0.00 29.16 27.04 1x0i h TRP 10 CO 0.02 0.16 -0.03 0.97 -1.28 0.00 0.00 178.44 178.28 1x0i h ILE 11 N 0.68 0.06 0.21 0.12 2.10 -1.98 0.64 117.51 119.34 1x0i h ILE 11 Ca 0.61 -0.85 -0.34 0.00 1.08 0.00 0.00 64.86 65.35 1x0i h ILE 11 Cb 1.05 1.81 0.02 0.00 -1.09 0.00 0.00 36.82 38.61 1x0i h ILE 11 CO -0.43 0.03 -1.63 -0.50 -1.08 0.00 0.00 178.15 174.54 1x0i h TRP 12 N 0.00 0.82 0.00 2.19 -0.00 -0.98 -2.79 115.95 115.19 1x0i h TRP 12 Ca -0.00 -0.60 -0.08 0.00 -0.00 0.00 0.00 58.89 58.21 1x0i h TRP 12 Cb 0.81 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.92 1x0i h TRP 12 CO 0.00 1.62 -0.38 -0.07 -0.00 0.00 0.00 178.44 179.61 1x0i h LEU 13 N 0.12 0.00 -0.10 -4.49 3.38 -0.31 -2.22 115.31 111.70 1x0i h LEU 13 Ca -0.30 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1x0i h LEU 13 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1x0i h LEU 13 CO 0.22 0.38 -0.35 0.00 0.09 0.00 0.00 178.44 178.77 1x0i h ALA 14 N 1.62 0.17 -0.25 1.53 0.00 0.25 -2.57 119.26 120.02 1x0i h ALA 14 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1x0i h ALA 14 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x0i h ALA 14 CO 0.05 0.25 0.07 1.25 0.00 0.00 0.00 179.25 180.86 1x0i h LEU 15 N -0.03 0.37 -0.47 0.00 5.85 -1.47 -1.93 115.31 117.63 1x0i h LEU 15 Ca -0.02 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1x0i h LEU 15 Cb 0.99 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1x0i h LEU 15 CO 0.07 0.50 0.13 1.23 -0.34 0.00 0.00 178.44 180.03 1x0i h GLY 16 N 0.23 0.59 0.66 3.75 0.00 -1.45 0.31 103.07 107.16 1x0i h GLY 16 Ca 0.08 -0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.44 1x0i h GLY 16 CO -0.00 -0.03 0.64 -0.84 0.00 0.00 0.00 176.54 176.31 1x0i h THR 17 N 0.28 1.04 0.07 4.70 2.02 -1.30 -0.78 112.91 118.93 1x0i h THR 17 Ca 0.23 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1x0i h THR 17 Cb 0.27 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1x0i h THR 17 CO -0.27 0.20 -0.03 0.00 0.37 0.00 0.00 175.52 175.79 1x0i h ALA 18 N 1.48 -0.09 -0.70 6.16 0.00 -0.02 -1.41 119.26 124.68 1x0i h ALA 18 Ca 0.45 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1x0i h ALA 18 Cb 0.26 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1x0i h ALA 18 CO -0.20 -0.32 0.17 -0.07 0.00 0.00 0.00 179.25 178.82 1x0i h LEU 19 N -0.54 1.06 -0.29 0.00 3.38 -0.34 0.23 115.31 118.81 1x0i h LEU 19 Ca -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1x0i h LEU 19 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1x0i h LEU 19 CO 0.01 1.02 0.06 0.24 0.09 0.00 0.00 178.44 179.86 1x0i h MET 20 N 1.06 0.47 -0.88 1.13 2.86 -1.19 0.82 114.93 119.19 1x0i h MET 20 Ca 0.22 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1x0i h MET 20 Cb 0.37 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1x0i h MET 20 CO 0.00 0.56 0.54 0.78 1.06 0.00 0.00 176.91 179.86 1x0i h GLY 21 N 0.29 1.26 1.03 8.32 0.00 -0.85 -0.98 103.07 112.15 1x0i h GLY 21 Ca 0.09 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1x0i h GLY 21 CO 0.00 0.50 -0.19 1.41 0.00 0.00 0.00 176.54 178.26 1x0i h LEU 22 N 1.20 0.88 -0.36 3.11 3.38 -0.34 -1.75 115.31 121.43 1x0i h LEU 22 Ca 0.32 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1x0i h LEU 22 Cb -0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1x0i h LEU 22 CO -0.06 1.08 0.17 1.23 0.09 0.00 0.00 178.44 180.96 1x0i h GLY 23 N 0.67 0.55 1.29 0.83 0.00 -0.54 0.15 103.07 106.02 1x0i h GLY 23 Ca 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1x0i h GLY 23 CO 0.06 0.26 0.09 0.00 0.00 0.00 0.00 176.54 176.95 1x0i h THR 24 N 0.44 1.24 0.06 4.70 1.03 -1.13 0.15 112.91 119.41 1x0i h THR 24 Ca 0.12 -0.93 -0.00 0.00 -0.01 0.00 0.00 66.41 65.59 1x0i h THR 24 Cb 0.12 0.72 0.00 0.00 -1.07 0.00 0.00 68.15 67.92 1x0i h THR 24 CO -0.02 0.34 -0.03 -0.07 -0.01 0.00 0.00 175.52 175.73 1x0i h LEU 25 N 0.84 -0.07 -0.26 0.00 3.38 -0.91 -0.15 115.31 118.13 1x0i h LEU 25 Ca 0.17 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1x0i h LEU 25 Cb 0.38 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1x0i h LEU 25 CO 0.01 0.07 0.11 0.22 0.09 0.00 0.00 178.44 178.94 1x0i h TYR 26 N -0.22 0.20 -0.96 1.13 3.20 -0.43 -1.08 116.97 118.82 1x0i h TYR 26 Ca -0.01 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1x0i h TYR 26 Cb 0.19 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.34 1x0i h TYR 26 CO -0.03 0.10 0.62 0.74 -1.64 0.00 0.00 178.16 177.95 1x0i h PHE 27 N 0.24 1.10 -0.68 -3.82 0.04 -0.54 -1.09 116.94 112.19 1x0i h PHE 27 Ca 0.11 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 1x0i h PHE 27 Cb 0.06 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 37.83 1x0i h PHE 27 CO -0.11 0.53 0.17 1.25 -0.60 0.00 0.00 178.31 179.54 1x0i h LEU 28 N 1.04 1.01 0.07 1.54 7.12 -0.13 -2.18 115.31 123.79 1x0i h LEU 28 Ca 0.44 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 58.24 1x0i h LEU 28 Cb 0.31 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1x0i h LEU 28 CO -0.19 0.97 -0.04 0.58 -0.13 0.00 0.00 178.44 179.63 1x0i h VAL 29 N 1.02 1.14 0.00 1.05 2.07 -0.04 -2.60 116.25 118.89 1x0i h VAL 29 Ca 0.22 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1x0i h VAL 29 Cb 0.35 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1x0i h VAL 29 CO -0.00 0.19 -0.01 0.50 0.02 0.00 0.00 177.57 178.27 1x0i h LYS 30 N -0.46 0.00 0.00 1.57 3.64 -1.25 -2.35 116.57 117.73 1x0i h LYS 30 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1x0i h LYS 30 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1x0i h LYS 30 CO 0.02 0.01 -0.54 0.41 -2.27 0.00 0.00 179.45 177.08 1x0i n GLY 31 N -1.48 -1.36 0.30 5.01 0.00 -0.82 -4.40 105.19 102.44 1x0i n GLY 31 Ca -0.03 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1x0i n GLY 31 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x0i h MET 32 N 0.00 0.01 -2.02 1.61 2.86 -1.01 -2.64 114.93 113.74 1x0i h MET 32 Ca 0.00 -0.00 -0.77 0.00 -2.06 0.00 0.00 59.70 56.87 1x0i h MET 32 Cb 0.64 -0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.02 1x0i h MET 32 CO 0.00 0.00 0.99 0.41 1.06 0.00 0.00 176.91 179.37 1x0i n GLY 33 N -1.52 5.62 3.32 8.32 0.00 -1.26 -4.97 105.19 114.70 1x0i n GLY 33 Ca 0.12 -2.51 -0.36 0.00 0.00 0.00 0.00 46.02 43.28 1x0i n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0i s VAL 34 N -5.00 3.52 -0.22 1.61 1.01 -1.00 -4.97 120.40 115.35 1x0i s VAL 34 Ca 0.50 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1x0i s VAL 34 Cb 0.40 -2.68 -0.21 0.00 0.00 0.00 0.00 36.38 33.90 1x0i s VAL 34 CO -0.37 0.31 -0.06 -1.54 0.00 0.00 0.00 175.10 173.44 1x0i n SER 35 N 4.81 1.16 -4.59 3.32 3.41 -1.26 -4.83 113.62 115.64 1x0i n SER 35 Ca -0.17 -0.05 -0.46 0.00 -0.26 0.00 0.00 58.87 57.92 1x0i n SER 35 Cb 0.50 0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 1x0i n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x0i n ASP 36 N -3.06 3.12 0.06 4.04 2.03 -1.26 -4.82 116.55 116.67 1x0i n ASP 36 Ca -0.39 0.54 0.18 0.00 0.52 0.00 0.00 54.79 55.64 1x0i n ASP 36 Cb 1.06 -1.43 0.71 0.00 -0.72 0.00 0.00 41.12 40.74 1x0i n ASP 36 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x0i h PRO 37 N 12.35 0.00 -0.05 -0.67 0.13 -1.97 -0.60 132.00 141.19 1x0i h PRO 37 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1x0i h PRO 37 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1x0i h PRO 37 CO 0.97 0.00 0.02 0.22 -0.23 0.00 0.00 178.00 178.98 1x0i h ASP 38 N 0.00 0.08 -0.30 1.44 3.58 -1.87 -2.48 116.42 116.86 1x0i h ASP 38 Ca 0.20 -0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 1x0i h ASP 38 Cb 0.84 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 1x0i h ASP 38 CO -0.00 0.27 0.03 0.00 -2.88 0.00 0.00 179.24 176.66 1x0i h ALA 39 N 0.81 1.33 -0.77 -0.78 0.00 -0.58 -2.70 119.26 116.57 1x0i h ALA 39 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1x0i h ALA 39 Cb 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1x0i h ALA 39 CO -0.00 0.47 0.50 0.87 0.00 0.00 0.00 179.25 181.09 1x0i h LYS 40 N 0.58 0.97 -0.05 0.00 1.57 -0.89 0.97 116.57 119.73 1x0i h LYS 40 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x0i h LYS 40 Cb 0.32 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1x0i h LYS 40 CO 0.01 0.64 0.02 0.87 -0.57 0.00 0.00 179.45 180.42 1x0i h LYS 41 N 1.00 0.07 -0.69 3.15 1.57 -1.13 0.98 116.57 121.52 1x0i h LYS 41 Ca 0.30 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1x0i h LYS 41 Cb -0.05 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1x0i h LYS 41 CO -0.09 0.23 0.43 0.74 -0.57 0.00 0.00 179.45 180.19 1x0i h PHE 42 N -0.10 0.80 -0.25 -1.35 0.04 -1.24 0.27 116.94 115.11 1x0i h PHE 42 Ca 0.02 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1x0i h PHE 42 Cb 0.19 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1x0i h PHE 42 CO -0.01 0.45 0.07 1.88 -0.60 0.00 0.00 178.31 180.09 1x0i h TYR 43 N 0.83 0.42 0.29 -0.55 -1.99 -0.61 0.79 116.97 116.14 1x0i h TYR 43 Ca 0.28 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 1x0i h TYR 43 Cb 0.04 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.66 1x0i h TYR 43 CO -0.05 0.48 -0.14 0.00 -0.00 0.00 0.00 178.16 178.46 1x0i h ALA 44 N 0.89 -0.38 0.23 3.88 0.00 -0.39 0.11 119.26 123.60 1x0i h ALA 44 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x0i h ALA 44 Cb 0.27 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1x0i h ALA 44 CO 0.00 -0.72 -0.21 0.82 0.00 0.00 0.00 179.25 179.14 1x0i h ILE 45 N -0.38 0.54 -0.27 0.00 2.04 -0.43 -2.09 117.51 116.91 1x0i h ILE 45 Ca -0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1x0i h ILE 45 Cb 0.29 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1x0i h ILE 45 CO 0.06 0.00 -0.03 0.74 0.00 0.00 0.00 178.15 178.92 1x0i h THR 46 N -0.47 1.18 0.00 -0.27 2.02 -0.79 -2.86 112.91 111.72 1x0i h THR 46 Ca -0.00 -0.74 -0.19 0.00 0.77 0.00 0.00 66.41 66.25 1x0i h THR 46 Cb 0.43 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1x0i h THR 46 CO -0.04 0.25 -0.85 0.74 0.37 0.00 0.00 175.52 175.99 1x0i h THR 47 N 0.39 1.53 -0.49 3.16 2.02 -0.63 -3.25 112.91 115.65 1x0i h THR 47 Ca 0.09 -2.67 -0.09 0.00 0.77 0.00 0.00 66.41 64.51 1x0i h THR 47 Cb 0.32 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1x0i h THR 47 CO 0.01 0.77 -0.05 0.25 0.37 0.00 0.00 175.52 176.88 1x0i h LEU 48 N 0.06 0.83 0.00 2.58 6.46 -1.15 -0.96 115.31 123.13 1x0i h LEU 48 Ca -0.03 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1x0i h LEU 48 Cb 1.47 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1x0i h LEU 48 CO 0.12 0.92 -0.00 0.58 -0.62 0.00 0.00 178.44 179.44 1x0i h VAL 49 N 0.78 0.00 0.00 1.05 2.07 -1.56 0.23 116.25 118.82 1x0i h VAL 49 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1x0i h VAL 49 Cb 0.53 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1x0i h VAL 49 CO 0.03 0.00 -0.03 1.55 0.02 0.00 0.00 177.57 179.14 1x0i h PRO 50 N -0.01 0.00 -0.40 1.57 0.13 -1.64 -1.79 132.00 129.86 1x0i h PRO 50 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1x0i h PRO 50 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1x0i h PRO 50 CO 0.00 0.03 0.19 0.00 -0.23 0.00 0.00 178.00 177.99 1x0i h ALA 51 N 1.97 1.58 -0.07 -0.56 0.00 -0.04 -1.56 119.26 120.58 1x0i h ALA 51 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1x0i h ALA 51 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1x0i h ALA 51 CO 0.00 0.34 -0.31 0.82 0.00 0.00 0.00 179.25 180.11 1x0i h ILE 52 N 0.56 1.42 -0.64 0.00 2.04 -0.14 -3.14 117.51 117.61 1x0i h ILE 52 Ca 0.14 -1.70 0.03 0.00 1.00 0.00 0.00 64.86 64.34 1x0i h ILE 52 Cb 0.07 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 1x0i h ILE 52 CO -0.02 0.49 0.42 0.00 0.00 0.00 0.00 178.15 179.04 1x0i h ALA 53 N 0.44 1.66 0.04 1.87 0.00 -1.20 -1.60 119.26 120.46 1x0i h ALA 53 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1x0i h ALA 53 Cb 0.95 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1x0i h ALA 53 CO 0.06 0.27 -0.41 0.35 0.00 0.00 0.00 179.25 179.53 1x0i h PHE 54 N 0.75 -1.16 -0.28 0.00 3.57 -1.24 0.25 116.94 118.82 1x0i h PHE 54 Ca 0.26 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 1x0i h PHE 54 Cb 0.09 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1x0i h PHE 54 CO -0.00 -0.50 0.06 1.79 -2.23 0.00 0.00 178.31 177.44 1x0i h THR 55 N -0.59 1.14 -0.26 4.41 1.35 -1.33 -1.23 112.91 116.40 1x0i h THR 55 Ca 0.04 -0.49 -0.05 0.00 -0.55 0.00 0.00 66.41 65.36 1x0i h THR 55 Cb 0.65 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1x0i h THR 55 CO -0.29 0.17 -0.04 0.24 -0.25 0.00 0.00 175.52 175.36 1x0i h MET 56 N 0.40 0.49 -0.43 4.72 2.86 -0.37 -2.09 114.93 120.52 1x0i h MET 56 Ca 0.10 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1x0i h MET 56 Cb 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1x0i h MET 56 CO -0.00 0.68 -0.14 1.88 1.06 0.00 0.00 176.91 180.39 1x0i h TYR 57 N 0.25 0.88 -0.87 -0.22 -1.99 -0.25 -2.35 116.97 112.42 1x0i h TYR 57 Ca 0.07 -0.17 0.02 0.00 2.00 0.00 0.00 58.73 60.65 1x0i h TYR 57 Cb 0.49 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.95 1x0i h TYR 57 CO 0.05 0.88 0.57 1.25 -0.00 0.00 0.00 178.16 180.90 1x0i h LEU 58 N 0.71 0.96 -1.11 3.88 5.85 -1.10 0.14 115.31 124.63 1x0i h LEU 58 Ca 0.11 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1x0i h LEU 58 Cb 0.64 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1x0i h LEU 58 CO 0.04 0.67 -0.13 0.77 -0.34 0.00 0.00 178.44 179.46 1x0i h SER 59 N 1.12 0.46 -0.37 1.25 4.64 -1.05 0.67 113.55 120.28 1x0i h SER 59 Ca 0.34 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1x0i h SER 59 Cb -0.05 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1x0i h SER 59 CO -0.10 0.62 -0.18 0.24 -0.87 0.00 0.00 176.83 176.54 1x0i h MET 60 N 0.44 0.77 -0.05 4.77 2.86 -0.75 0.25 114.93 123.22 1x0i h MET 60 Ca 0.08 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1x0i h MET 60 Cb 0.49 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 1x0i h MET 60 CO 0.03 0.96 0.03 1.25 1.06 0.00 0.00 176.91 180.23 1x0i h LEU 61 N 0.56 0.06 -0.06 1.22 5.85 -0.21 -1.96 115.31 120.77 1x0i h LEU 61 Ca 0.08 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1x0i h LEU 61 Cb 0.73 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1x0i h LEU 61 CO 0.05 0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.48 1x0i n LEU 62 N -5.00 0.13 0.31 2.25 4.77 0.18 -3.25 117.00 116.39 1x0i n LEU 62 Ca -0.06 0.52 0.18 0.00 -0.03 0.00 0.00 56.01 56.62 1x0i n LEU 62 Cb 0.08 -0.49 1.00 0.00 -2.33 0.00 0.00 43.42 41.68 1x0i n LEU 62 CO 0.33 -0.16 1.12 1.23 -1.33 0.00 0.00 177.39 178.58 1x0i h GLY 63 N 3.73 0.00 -6.19 -0.72 0.00 0.32 -3.41 103.07 96.80 1x0i h GLY 63 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1x0i h GLY 63 CO 0.00 0.00 0.65 -0.19 0.00 0.00 0.00 176.54 177.00 1x0i s TYR 64 N -4.28 3.10 0.00 5.60 2.02 -1.20 -5.07 117.35 117.51 1x0i s TYR 64 Ca -0.04 0.87 0.00 0.00 -0.37 0.00 0.00 57.07 57.53 1x0i s TYR 64 Cb 0.13 -3.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.05 1x0i s TYR 64 CO 0.50 -0.80 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 1x0i n GLY 65 N 4.26 0.00 0.00 0.71 0.00 -1.26 -5.12 105.19 103.78 1x0i n GLY 65 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1x0i n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x0i n PRO 77 N 0.00 0.00 -1.34 1.61 -0.02 -1.26 -5.25 135.00 128.74 1x0i n PRO 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1x0i n PRO 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1x0i n PRO 77 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1x0i n ILE 78 N 0.00 -6.29 -3.56 4.25 5.41 -1.26 -5.03 119.36 112.88 1x0i n ILE 78 Ca 0.00 1.94 -0.27 0.00 1.00 0.00 0.00 62.75 65.42 1x0i n ILE 78 Cb 0.00 -3.29 -0.16 0.00 -0.71 0.00 0.00 39.64 35.49 1x0i n ILE 78 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1x0i s TYR 79 N -1.14 0.24 0.30 1.39 2.02 -1.26 -5.01 117.35 113.88 1x0i s TYR 79 Ca 0.00 -0.61 -0.01 0.00 -0.37 0.00 0.00 57.07 56.08 1x0i s TYR 79 Cb 0.00 -0.79 0.47 0.00 -0.40 0.00 0.00 41.96 41.23 1x0i s TYR 79 CO 0.00 -0.70 1.91 -1.49 -1.57 0.00 0.00 175.55 173.70 1x0i h TRP 80 N 8.41 0.89 -0.71 2.71 4.06 -2.00 -2.26 115.95 127.05 1x0i h TRP 80 Ca -0.18 -0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.83 1x0i h TRP 80 Cb 1.07 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 28.90 1x0i h TRP 80 CO 0.23 0.65 0.47 0.00 -3.56 0.00 0.00 178.44 176.23 1x0i h ALA 81 N 1.44 1.85 -0.66 1.49 0.00 -1.95 0.34 119.26 121.78 1x0i h ALA 81 Ca 0.22 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1x0i h ALA 81 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1x0i h ALA 81 CO -0.03 0.00 0.11 -0.09 0.00 0.00 0.00 179.25 179.25 1x0i h ARG 82 N 0.61 1.07 0.06 0.00 2.43 -1.75 -1.48 114.38 115.32 1x0i h ARG 82 Ca 0.32 -0.28 -0.26 0.00 -0.81 0.00 0.00 59.98 58.96 1x0i h ARG 82 Cb 0.46 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1x0i h ARG 82 CO -0.11 0.98 -1.26 1.88 -1.51 0.00 0.00 179.97 179.95 1x0i h TYR 83 N 1.01 0.21 -0.51 2.20 -1.99 -1.30 -3.01 116.97 113.58 1x0i h TYR 83 Ca 0.20 -0.16 -0.10 0.00 2.00 0.00 0.00 58.73 60.68 1x0i h TYR 83 Cb 0.43 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 1x0i h TYR 83 CO 0.03 1.15 -0.06 0.00 -0.00 0.00 0.00 178.16 179.28 1x0i h ALA 84 N 0.79 0.69 0.26 3.88 0.00 -0.95 0.25 119.26 124.19 1x0i h ALA 84 Ca -0.13 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1x0i h ALA 84 Cb 1.90 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1x0i h ALA 84 CO 0.15 0.56 -0.33 0.22 0.00 0.00 0.00 179.25 179.84 1x0i h ASP 85 N 0.80 -0.92 -0.65 0.00 -0.00 -1.32 -0.06 116.42 114.26 1x0i h ASP 85 Ca 0.14 0.09 0.05 0.00 -0.00 0.00 0.00 57.03 57.30 1x0i h ASP 85 Cb 0.60 0.33 -0.05 0.00 -0.00 0.00 0.00 39.33 40.21 1x0i h ASP 85 CO 0.04 -0.45 0.38 -0.50 -0.00 0.00 0.00 179.24 178.70 1x0i h TRP 86 N -0.65 0.70 -0.54 0.28 6.55 -1.38 -0.76 115.95 120.16 1x0i h TRP 86 Ca -0.00 0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.90 1x0i h TRP 86 Cb 0.62 -0.22 -0.04 0.00 -0.86 0.00 0.00 29.16 28.65 1x0i h TRP 86 CO -0.23 0.36 0.30 1.25 -1.05 0.00 0.00 178.44 179.07 1x0i h LEU 87 N 0.72 0.46 0.00 -4.49 5.85 0.03 -1.53 115.31 116.35 1x0i h LEU 87 Ca 0.28 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.84 1x0i h LEU 87 Cb 0.12 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1x0i h LEU 87 CO -0.15 0.32 -0.95 -0.26 -0.34 0.00 0.00 178.44 177.05 1x0i h PHE 88 N 0.58 0.00 0.05 1.25 0.04 -0.66 -3.39 116.94 114.81 1x0i h PHE 88 Ca 0.23 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.68 1x0i h PHE 88 Cb 0.09 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 1x0i h PHE 88 CO -0.08 0.81 -1.79 1.15 -0.60 0.00 0.00 178.31 177.80 1x0i h THR 89 N 0.00 0.79 -0.91 -1.55 2.02 -1.05 -3.39 112.91 108.82 1x0i h THR 89 Ca -0.05 -2.59 0.04 0.00 0.77 0.00 0.00 66.41 64.58 1x0i h THR 89 Cb 1.66 2.47 -0.05 0.00 -1.74 0.00 0.00 68.15 70.49 1x0i h THR 89 CO 0.10 0.65 0.60 0.71 0.37 0.00 0.00 175.52 177.94 1x0i h THR 90 N 0.03 1.15 -0.65 3.16 1.35 -1.47 -2.19 112.91 114.28 1x0i h THR 90 Ca -0.33 -0.39 0.01 0.00 -0.55 0.00 0.00 66.41 65.15 1x0i h THR 90 Cb 2.02 -0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 1x0i h THR 90 CO 0.09 0.21 0.43 -0.65 -0.25 0.00 0.00 175.52 175.34 1x0i h PRO 91 N 1.14 0.86 -0.75 4.72 0.11 -1.77 -1.79 132.00 134.53 1x0i h PRO 91 Ca 0.37 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.38 1x0i h PRO 91 Cb 0.03 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.92 1x0i h PRO 91 CO -0.11 0.58 0.32 -0.07 -0.21 0.00 0.00 178.00 178.50 1x0i h LEU 92 N 0.88 1.01 -0.29 2.35 3.38 -1.67 -0.68 115.31 120.29 1x0i h LEU 92 Ca 0.24 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1x0i h LEU 92 Cb -0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1x0i h LEU 92 CO -0.05 0.90 0.10 -0.07 0.09 0.00 0.00 178.44 179.41 1x0i h LEU 93 N 1.07 0.12 -0.99 1.67 4.07 -0.88 -0.70 115.31 119.66 1x0i h LEU 93 Ca 0.25 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.16 1x0i h LEU 93 Cb 0.18 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1x0i h LEU 93 CO -0.02 0.10 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.26 1x0i h LEU 94 N 0.24 0.58 -0.71 1.67 -0.00 -0.99 -2.49 115.31 113.61 1x0i h LEU 94 Ca 0.13 -0.16 0.06 0.00 -0.00 0.00 0.00 57.88 57.91 1x0i h LEU 94 Cb 0.09 -0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 40.54 1x0i h LEU 94 CO -0.13 0.73 0.41 0.25 -0.00 0.00 0.00 178.44 179.71 1x0i h LEU 95 N 0.55 0.63 -0.17 1.67 5.85 -0.08 0.26 115.31 124.02 1x0i h LEU 95 Ca 0.10 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1x0i h LEU 95 Cb 0.52 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1x0i h LEU 95 CO 0.03 0.41 -0.23 0.44 -0.34 0.00 0.00 178.44 178.75 1x0i h ASP 96 N 0.76 -0.71 -0.64 1.25 3.32 -0.70 0.20 116.42 119.90 1x0i h ASP 96 Ca 0.32 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 1x0i h ASP 96 Cb 0.17 0.33 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1x0i h ASP 96 CO -0.18 -0.27 0.31 -0.07 -1.72 0.00 0.00 179.24 177.31 1x0i h LEU 97 N -0.27 0.83 0.13 1.55 4.07 -1.24 -0.77 115.31 119.61 1x0i h LEU 97 Ca 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1x0i h LEU 97 Cb 0.44 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1x0i h LEU 97 CO -0.33 0.73 -0.12 0.00 -1.08 0.00 0.00 178.44 177.64 1x0i h ALA 98 N 1.14 -0.24 -0.76 1.53 0.00 0.31 -2.29 119.26 118.95 1x0i h ALA 98 Ca 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1x0i h ALA 98 Cb 0.11 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1x0i h ALA 98 CO -0.03 -0.65 0.25 -0.07 0.00 0.00 0.00 179.25 178.75 1x0i h LEU 99 N -0.26 1.09 -1.54 0.00 3.38 -0.54 0.74 115.31 118.18 1x0i h LEU 99 Ca 0.00 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 57.87 1x0i h LEU 99 Cb 0.25 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1x0i h LEU 99 CO -0.02 1.00 0.45 0.25 0.09 0.00 0.00 178.44 180.21 1x0i h LEU 100 N 1.12 0.46 -2.75 1.67 5.85 -0.85 -1.23 115.31 119.58 1x0i h LEU 100 Ca 0.25 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1x0i h LEU 100 Cb 0.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1x0i h LEU 100 CO -0.01 0.27 0.00 0.55 -0.34 0.00 0.00 178.44 178.91 1x0i n VAL 101 N -4.48 0.94 -3.88 1.05 3.14 -0.89 -4.96 118.33 109.25 1x0i n VAL 101 Ca 0.12 -0.97 -0.29 0.00 -2.96 0.00 0.00 64.34 60.24 1x0i n VAL 101 Cb 0.39 0.55 0.03 0.00 -1.06 0.00 0.00 33.84 33.74 1x0i n VAL 101 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1x0i n ASP 102 N 1.14 -4.28 -4.69 6.55 2.03 -0.32 -4.66 116.55 112.33 1x0i n ASP 102 Ca 0.18 -0.78 -0.36 0.00 0.52 0.00 0.00 54.79 54.35 1x0i n ASP 102 Cb 0.53 -3.92 0.09 0.00 -0.72 0.00 0.00 41.12 37.11 1x0i n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x0i n ALA 103 N -4.64 0.42 -1.63 -1.67 0.00 0.10 -4.98 120.51 108.12 1x0i n ALA 103 Ca -0.01 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1x0i n ALA 103 Cb 0.55 -2.24 0.03 0.00 0.00 0.00 0.00 19.45 17.79 1x0i n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x0i s ASP 104 N -1.67 5.27 0.22 0.00 1.11 -1.26 -4.87 116.67 115.48 1x0i s ASP 104 Ca 0.77 2.15 -0.09 0.00 0.18 0.00 0.00 52.55 55.57 1x0i s ASP 104 Cb -0.35 -2.57 0.20 0.00 1.07 0.00 0.00 42.92 41.27 1x0i s ASP 104 CO 0.46 -1.52 1.90 1.56 1.18 0.00 0.00 175.17 178.75 1x0i h GLN 105 N 0.56 1.11 -0.30 8.23 4.20 -1.99 -0.78 115.11 126.15 1x0i h GLN 105 Ca -0.49 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.16 1x0i h GLN 105 Cb 1.26 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1x0i h GLN 105 CO 0.55 0.73 0.18 0.78 -0.67 0.00 0.00 178.83 180.40 1x0i h GLY 106 N 1.14 0.44 2.00 3.46 0.00 -1.98 0.23 103.07 108.36 1x0i h GLY 106 Ca 0.31 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 1x0i h GLY 106 CO -0.07 0.18 -0.35 0.00 0.00 0.00 0.00 176.54 176.29 1x0i h THR 107 N 0.38 1.14 -0.11 4.70 1.03 -1.87 0.69 112.91 118.87 1x0i h THR 107 Ca 0.11 -1.25 -0.05 0.00 -0.01 0.00 0.00 66.41 65.20 1x0i h THR 107 Cb 0.01 1.70 -0.00 0.00 -1.07 0.00 0.00 68.15 68.79 1x0i h THR 107 CO -0.02 0.35 -0.13 0.40 -0.01 0.00 0.00 175.52 176.10 1x0i h ILE 108 N 0.00 1.36 -0.46 0.00 2.04 -0.57 -1.33 117.51 118.55 1x0i h ILE 108 Ca -0.00 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1x0i h ILE 108 Cb 0.67 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1x0i h ILE 108 CO 0.05 0.38 0.24 0.25 0.00 0.00 0.00 178.15 179.07 1x0i h LEU 109 N -0.12 0.56 -0.60 1.44 5.85 -0.07 -1.99 115.31 120.38 1x0i h LEU 109 Ca 0.02 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1x0i h LEU 109 Cb 0.67 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1x0i h LEU 109 CO 0.03 0.46 -0.47 0.00 -0.34 0.00 0.00 178.44 178.12 1x0i h ALA 110 N 1.63 0.78 0.03 1.25 0.00 -0.70 -2.17 119.26 120.07 1x0i h ALA 110 Ca 0.16 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1x0i h ALA 110 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1x0i h ALA 110 CO -0.03 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.80 1x0i h LEU 111 N 0.46 -0.04 -0.72 0.00 -0.00 -0.54 -1.22 115.31 113.25 1x0i h LEU 111 Ca 0.03 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.66 1x0i h LEU 111 Cb 0.99 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.63 1x0i h LEU 111 CO 0.09 0.20 0.33 0.58 -0.00 0.00 0.00 178.44 179.63 1x0i h VAL 112 N -0.27 1.24 -0.10 1.22 2.07 -1.42 0.17 116.25 119.15 1x0i h VAL 112 Ca -0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1x0i h VAL 112 Cb 0.25 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1x0i h VAL 112 CO 0.01 0.29 0.03 1.23 0.02 0.00 0.00 177.57 179.15 1x0i h GLY 113 N 1.01 0.16 0.74 2.17 0.00 -1.38 0.40 103.07 106.17 1x0i h GLY 113 Ca 0.24 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.54 1x0i h GLY 113 CO -0.03 0.09 0.51 0.00 0.00 0.00 0.00 176.54 177.11 1x0i h ALA 114 N 0.85 1.12 -0.00 3.60 0.00 -0.99 -0.73 119.26 123.12 1x0i h ALA 114 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x0i h ALA 114 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1x0i h ALA 114 CO -0.00 0.26 0.00 0.22 0.00 0.00 0.00 179.25 179.73 1x0i h ASP 115 N 0.94 0.01 -0.90 0.00 1.82 -0.28 0.93 116.42 118.93 1x0i h ASP 115 Ca 0.36 -0.14 0.12 0.00 -0.39 0.00 0.00 57.03 56.97 1x0i h ASP 115 Cb 0.15 -0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.08 1x0i h ASP 115 CO -0.16 0.15 0.58 1.23 -1.61 0.00 0.00 179.24 179.43 1x0i h GLY 116 N -0.14 1.29 1.12 -0.78 0.00 0.28 -0.70 103.07 104.14 1x0i h GLY 116 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1x0i h GLY 116 CO -0.00 0.14 -0.30 -2.22 0.00 0.00 0.00 176.54 174.16 1x0i h ILE 117 N 0.80 1.27 -0.47 2.60 2.04 -0.56 -1.64 117.51 121.56 1x0i h ILE 117 Ca 0.44 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.84 1x0i h ILE 117 Cb 0.56 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1x0i h ILE 117 CO -0.20 0.50 0.28 -0.03 0.00 0.00 0.00 178.15 178.70 1x0i h MET 118 N 0.81 0.55 -0.01 2.37 4.05 0.63 -0.60 114.93 122.72 1x0i h MET 118 Ca 0.08 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1x0i h MET 118 Cb 0.90 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 1x0i h MET 118 CO 0.08 0.36 -0.19 0.82 0.23 0.00 0.00 176.91 178.21 1x0i h ILE 119 N 0.57 1.53 -0.18 1.77 1.08 -1.30 -2.38 117.51 118.59 1x0i h ILE 119 Ca 0.19 -1.83 0.02 0.00 -0.39 0.00 0.00 64.86 62.85 1x0i h ILE 119 Cb 0.01 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.41 1x0i h ILE 119 CO -0.08 0.50 0.03 1.23 -0.69 0.00 0.00 178.15 179.14 1x0i h GLY 120 N -0.50 0.19 1.16 5.37 0.00 -1.30 -1.13 103.07 106.88 1x0i h GLY 120 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1x0i h GLY 120 CO 0.04 -0.00 0.47 -0.84 0.00 0.00 0.00 176.54 176.20 1x0i h THR 121 N 0.10 1.09 0.00 4.70 2.02 -1.20 -1.53 112.91 118.09 1x0i h THR 121 Ca 0.08 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1x0i h THR 121 Cb 0.07 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1x0i h THR 121 CO -0.11 0.15 -0.51 1.23 0.37 0.00 0.00 175.52 176.66 1x0i h GLY 122 N 0.84 0.00 1.37 2.16 0.00 -0.77 -2.62 103.07 104.05 1x0i h GLY 122 Ca 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.44 1x0i h GLY 122 CO -0.08 0.00 -0.61 -2.00 0.00 0.00 0.00 176.54 173.85 1x0i h LEU 123 N 0.00 0.74 -0.70 3.11 5.85 -0.25 -2.01 115.31 122.05 1x0i h LEU 123 Ca -0.01 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 1x0i h LEU 123 Cb 0.95 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1x0i h LEU 123 CO 0.07 1.17 0.21 0.58 -0.34 0.00 0.00 178.44 180.12 1x0i h VAL 124 N 0.48 1.26 -0.23 1.05 2.07 -1.26 -0.85 116.25 118.78 1x0i h VAL 124 Ca -0.00 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1x0i h VAL 124 Cb 1.18 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1x0i h VAL 124 CO 0.12 0.35 0.13 1.23 0.02 0.00 0.00 177.57 179.42 1x0i h GLY 125 N 1.03 0.34 1.10 2.17 0.00 -1.34 -1.66 103.07 104.70 1x0i h GLY 125 Ca 0.22 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.45 1x0i h GLY 125 CO -0.00 0.14 0.49 0.00 0.00 0.00 0.00 176.54 177.16 1x0i h ALA 126 N 1.03 1.61 -0.10 3.60 0.00 -1.05 -0.44 119.26 123.91 1x0i h ALA 126 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x0i h ALA 126 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1x0i h ALA 126 CO -0.01 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1x0i n LEU 127 N -4.46 0.75 -4.79 0.00 4.32 -0.35 -4.83 117.00 107.63 1x0i n LEU 127 Ca 0.10 -0.33 -0.34 0.00 -0.02 0.00 0.00 56.01 55.42 1x0i n LEU 127 Cb 0.16 -0.06 -0.07 0.00 -1.62 0.00 0.00 43.42 41.83 1x0i n LEU 127 CO 0.34 0.17 -0.24 -0.89 -1.22 0.00 0.00 177.39 175.55 1x0i s THR 128 N -1.87 4.84 -0.19 -5.08 2.01 -0.17 -5.04 115.64 110.13 1x0i s THR 128 Ca 0.23 -0.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 1x0i s THR 128 Cb 0.11 -3.18 -0.20 0.00 0.01 0.00 0.00 72.50 69.25 1x0i s THR 128 CO 0.18 0.43 0.21 2.29 -0.69 0.00 0.00 174.62 177.03 1x0i n LYS 129 N 1.42 0.61 -1.90 4.92 2.85 -1.26 -4.85 118.16 119.96 1x0i n LYS 129 Ca -0.15 0.49 -0.43 0.00 -1.05 0.00 0.00 58.31 57.17 1x0i n LYS 129 Cb 0.53 -1.72 -0.03 0.00 -0.65 0.00 0.00 35.03 33.16 1x0i n LYS 129 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1x0i s VAL 130 N -2.42 3.38 0.34 0.58 1.01 -1.26 -4.86 120.40 117.19 1x0i s VAL 130 Ca -0.28 0.42 0.11 0.00 0.00 0.00 0.00 61.98 62.23 1x0i s VAL 130 Cb 0.07 -3.42 0.33 0.00 0.00 0.00 0.00 36.38 33.36 1x0i s VAL 130 CO 0.63 -0.20 1.78 1.88 0.00 0.00 0.00 175.10 179.19 1x0i h TYR 131 N 12.13 0.89 -0.05 5.22 -1.99 -1.97 0.08 116.97 131.28 1x0i h TYR 131 Ca -0.38 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.40 1x0i h TYR 131 Cb 1.19 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.63 1x0i h TYR 131 CO 0.93 0.17 -0.09 1.03 -0.00 0.00 0.00 178.16 180.20 1x0i h SER 132 N 0.61 -0.27 0.07 3.88 0.87 -1.99 0.47 113.55 117.19 1x0i h SER 132 Ca 0.57 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 61.18 1x0i h SER 132 Cb 1.10 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1x0i h SER 132 CO -0.34 -0.13 -0.04 1.88 -0.53 0.00 0.00 176.83 177.68 1x0i h TYR 133 N -0.13 -0.09 -0.92 2.24 -1.99 -1.54 -2.29 116.97 112.25 1x0i h TYR 133 Ca 0.05 -0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.96 1x0i h TYR 133 Cb 0.21 0.03 -0.08 0.00 2.00 0.00 0.00 36.73 38.89 1x0i h TYR 133 CO -0.18 0.08 0.59 -0.09 -0.00 0.00 0.00 178.16 178.57 1x0i h ARG 134 N -0.25 0.56 -0.59 4.88 2.43 -0.76 0.84 114.38 121.49 1x0i h ARG 134 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1x0i h ARG 134 Cb 0.22 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1x0i h ARG 134 CO 0.02 0.37 0.38 0.35 -1.51 0.00 0.00 179.97 179.57 1x0i h PHE 135 N 0.57 0.75 -0.15 2.20 3.57 0.50 -0.03 116.94 124.35 1x0i h PHE 135 Ca 0.49 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 1x0i h PHE 135 Cb 0.97 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1x0i h PHE 135 CO -0.00 0.49 0.06 0.28 -2.23 0.00 0.00 178.31 176.91 1x0i h VAL 136 N 0.79 1.15 -0.64 1.41 2.07 -0.53 -0.68 116.25 119.82 1x0i h VAL 136 Ca 0.21 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1x0i h VAL 136 Cb -0.07 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1x0i h VAL 136 CO -0.04 0.14 0.38 -0.50 0.02 0.00 0.00 177.57 177.56 1x0i h TRP 137 N 0.10 0.70 -0.50 1.57 4.06 -1.17 -1.27 115.95 119.43 1x0i h TRP 137 Ca 0.05 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.08 1x0i h TRP 137 Cb 0.16 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.05 1x0i h TRP 137 CO -0.02 0.37 0.22 2.35 -3.56 0.00 0.00 178.44 177.80 1x0i h TRP 138 N 0.72 0.40 -0.32 0.49 7.01 -0.70 -0.70 115.95 122.85 1x0i h TRP 138 Ca 0.27 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.29 1x0i h TRP 138 Cb 0.10 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 1x0i h TRP 138 CO -0.06 0.17 0.18 0.00 -2.79 0.00 0.00 178.44 175.93 1x0i h ALA 139 N 1.30 0.41 -0.74 2.65 0.00 -0.37 -0.19 119.26 122.31 1x0i h ALA 139 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1x0i h ALA 139 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1x0i h ALA 139 CO -0.19 -0.07 0.38 0.82 0.00 0.00 0.00 179.25 180.19 1x0i h ILE 140 N 0.40 1.23 -0.12 0.00 2.04 -0.93 -0.00 117.51 120.12 1x0i h ILE 140 Ca 0.11 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1x0i h ILE 140 Cb 0.05 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1x0i h ILE 140 CO -0.02 0.27 0.06 -1.28 0.00 0.00 0.00 178.15 177.17 1x0i h SER 141 N 1.03 0.16 -0.16 1.72 0.87 -0.83 -1.30 113.55 115.04 1x0i h SER 141 Ca 0.26 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1x0i h SER 141 Cb 0.08 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1x0i h SER 141 CO -0.04 0.24 -0.07 0.74 -0.53 0.00 0.00 176.83 177.18 1x0i h THR 142 N 0.06 1.21 -0.67 2.23 2.02 -0.87 -0.16 112.91 116.73 1x0i h THR 142 Ca 0.04 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 1x0i h THR 142 Cb 0.13 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1x0i h THR 142 CO -0.00 0.29 0.16 0.00 0.37 0.00 0.00 175.52 176.33 1x0i h ALA 143 N 1.49 0.89 -0.47 6.16 0.00 -0.72 0.87 119.26 127.48 1x0i h ALA 143 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1x0i h ALA 143 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1x0i h ALA 143 CO 0.02 0.61 0.11 0.00 0.00 0.00 0.00 179.25 179.99 1x0i h ALA 144 N 1.07 0.62 -0.33 0.00 0.00 -0.32 -1.43 119.26 118.87 1x0i h ALA 144 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x0i h ALA 144 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x0i h ALA 144 CO 0.00 0.31 0.12 1.98 0.00 0.00 0.00 179.25 181.66 1x0i h MET 145 N 0.63 0.50 -0.64 0.00 -1.53 -0.72 -1.79 114.93 111.38 1x0i h MET 145 Ca 0.15 -0.10 0.04 0.00 -3.44 0.00 0.00 59.70 56.35 1x0i h MET 145 Cb 0.33 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.27 1x0i h MET 145 CO 0.00 0.52 0.42 -0.07 0.14 0.00 0.00 176.91 177.92 1x0i h LEU 146 N 0.38 0.62 0.25 3.39 3.38 -0.66 0.14 115.31 122.80 1x0i h LEU 146 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1x0i h LEU 146 Cb 0.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1x0i h LEU 146 CO -0.01 0.42 -0.12 0.22 0.09 0.00 0.00 178.44 179.04 1x0i h TYR 147 N 0.72 -0.31 -0.08 1.13 3.20 -0.85 0.22 116.97 121.00 1x0i h TYR 147 Ca 0.26 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 1x0i h TYR 147 Cb 0.14 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1x0i h TYR 147 CO -0.00 -0.15 -0.11 0.82 -1.64 0.00 0.00 178.16 177.08 1x0i h ILE 148 N -0.40 0.70 -0.54 1.81 2.04 -0.42 -1.61 117.51 119.09 1x0i h ILE 148 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1x0i h ILE 148 Cb 0.30 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1x0i h ILE 148 CO 0.06 0.00 0.35 -0.07 0.00 0.00 0.00 178.15 178.49 1x0i h LEU 149 N -0.15 0.59 -0.47 1.44 3.38 -0.68 0.13 115.31 119.56 1x0i h LEU 149 Ca 0.07 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1x0i h LEU 149 Cb 0.25 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1x0i h LEU 149 CO -0.17 0.43 -0.05 0.22 0.09 0.00 0.00 178.44 178.96 1x0i h TYR 150 N 0.71 -0.13 -0.46 1.13 3.20 -0.10 0.28 116.97 121.60 1x0i h TYR 150 Ca 0.20 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 1x0i h TYR 150 Cb -0.05 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1x0i h TYR 150 CO -0.04 -0.15 -0.10 0.28 -1.64 0.00 0.00 178.16 176.51 1x0i h VAL 151 N 0.06 1.26 -0.10 1.81 2.07 -0.80 -1.94 116.25 118.60 1x0i h VAL 151 Ca 0.23 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1x0i h VAL 151 Cb 0.35 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1x0i h VAL 151 CO -0.43 0.40 -0.01 -0.07 0.02 0.00 0.00 177.57 177.48 1x0i h LEU 152 N 0.75 0.19 -0.47 2.57 3.38 0.47 -1.53 115.31 120.67 1x0i h LEU 152 Ca 0.13 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1x0i h LEU 152 Cb 0.59 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1x0i h LEU 152 CO 0.04 0.48 -0.03 0.15 0.09 0.00 0.00 178.44 179.16 1x0i h PHE 153 N -0.11 0.94 0.00 1.13 3.57 -0.48 -3.30 116.94 118.70 1x0i h PHE 153 Ca 0.03 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1x0i h PHE 153 Cb 0.39 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1x0i h PHE 153 CO 0.04 0.91 0.00 1.19 -2.23 0.00 0.00 178.31 178.22 1x0i n PHE 154 N -4.32 0.00 -0.13 0.41 3.72 -0.73 -3.98 117.46 112.43 1x0i n PHE 154 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1x0i n PHE 154 Cb 0.33 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 1x0i n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1x0i h GLY 155 N 0.00 0.06 1.43 1.37 0.00 -1.61 -1.14 103.07 103.19 1x0i h GLY 155 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 1x0i h GLY 155 CO 0.00 -0.20 0.10 0.74 0.00 0.00 0.00 176.54 177.18 1x0i h PHE 156 N -0.14 0.73 -0.44 5.60 -1.00 -1.37 -1.40 116.94 118.93 1x0i h PHE 156 Ca 0.20 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.89 1x0i h PHE 156 Cb 0.45 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1x0i h PHE 156 CO -0.46 0.63 0.16 1.15 -1.61 0.00 0.00 178.31 178.18 1x0i h THR 157 N 0.69 1.21 -0.15 -1.55 2.02 -1.41 0.61 112.91 114.34 1x0i h THR 157 Ca 0.15 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1x0i h THR 157 Cb 0.28 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1x0i h THR 157 CO -0.00 0.25 0.09 0.28 0.37 0.00 0.00 175.52 176.51 1x0i h SER 158 N 0.56 0.17 -0.88 4.18 0.02 -0.87 -1.60 113.55 115.13 1x0i h SER 158 Ca 0.14 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1x0i h SER 158 Cb 0.23 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 1x0i h SER 158 CO -0.01 0.14 0.58 0.50 -1.14 0.00 0.00 176.83 176.91 1x0i h LYS 159 N 0.18 1.10 0.00 3.45 1.63 -0.93 0.50 116.57 122.50 1x0i h LYS 159 Ca 0.05 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1x0i h LYS 159 Cb 0.00 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.38 1x0i h LYS 159 CO -0.01 0.73 0.00 0.00 -3.45 0.00 0.00 179.45 176.71 1x0i h ALA 160 N 1.47 1.00 0.00 5.00 0.00 0.86 -2.52 119.26 125.08 1x0i h ALA 160 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1x0i h ALA 160 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1x0i h ALA 160 CO -0.09 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.25 1x0i n GLU 161 N -2.37 0.03 -0.19 0.00 4.07 0.17 -2.54 120.64 119.80 1x0i n GLU 161 Ca 0.01 0.16 0.11 0.00 -0.06 0.00 0.00 57.16 57.38 1x0i n GLU 161 Cb 0.20 -1.55 0.25 0.00 -0.06 0.00 0.00 31.44 30.29 1x0i n GLU 161 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1x0i n SER 162 N -1.60 3.13 -4.90 4.31 3.41 -0.95 -4.94 113.62 112.09 1x0i n SER 162 Ca 0.05 -1.95 -0.21 0.00 -0.26 0.00 0.00 58.87 56.50 1x0i n SER 162 Cb 0.26 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1x0i n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1x0i s MET 163 N -1.50 2.98 0.68 4.33 -1.94 -1.05 -5.08 119.30 117.71 1x0i s MET 163 Ca 0.38 -1.08 -0.17 0.00 -1.71 0.00 0.00 55.69 53.11 1x0i s MET 163 Cb 0.22 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.41 1x0i s MET 163 CO 0.30 0.22 1.19 2.89 -0.01 0.00 0.00 175.02 179.61 1x0i n ARG 164 N -1.39 0.85 -0.35 2.03 1.85 -1.26 -4.61 116.66 113.78 1x0i n ARG 164 Ca -0.04 0.35 0.24 0.00 -1.00 0.00 0.00 57.85 57.39 1x0i n ARG 164 Cb 0.58 -2.43 0.50 0.00 -1.05 0.00 0.00 32.46 30.06 1x0i n ARG 164 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1x0i h PRO 165 N 0.17 0.37 -0.66 2.89 0.13 -1.97 -1.10 132.00 131.84 1x0i h PRO 165 Ca -0.49 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1x0i h PRO 165 Cb 1.34 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1x0i h PRO 165 CO 0.51 0.24 0.37 1.49 -0.23 0.00 0.00 178.00 180.38 1x0i h GLU 166 N 0.38 0.66 -0.03 0.86 4.57 -2.00 0.24 114.58 119.27 1x0i h GLU 166 Ca 0.66 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 58.57 1x0i h GLU 166 Cb 1.62 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 30.07 1x0i h GLU 166 CO -0.40 0.44 -0.92 0.28 -1.18 0.00 0.00 179.01 177.23 1x0i h VAL 167 N 0.68 1.35 -0.27 0.32 2.07 -1.57 -2.63 116.25 116.20 1x0i h VAL 167 Ca 0.29 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 1x0i h VAL 167 Cb 0.17 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1x0i h VAL 167 CO -0.18 0.70 0.14 0.00 0.02 0.00 0.00 177.57 178.25 1x0i h ALA 168 N 0.66 0.34 -0.19 1.67 0.00 -0.84 -1.24 119.26 119.66 1x0i h ALA 168 Ca -0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1x0i h ALA 168 Cb 1.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1x0i h ALA 168 CO 0.17 -0.12 -0.49 0.66 0.00 0.00 0.00 179.25 179.47 1x0i h SER 169 N 0.31 0.56 -0.56 0.00 4.64 -1.03 -2.16 113.55 115.30 1x0i h SER 169 Ca 0.09 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 1x0i h SER 169 Cb 0.08 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1x0i h SER 169 CO -0.01 0.96 -0.08 0.74 -0.87 0.00 0.00 176.83 177.57 1x0i h THR 170 N 0.41 1.27 -0.45 2.95 2.02 -1.33 -2.71 112.91 115.07 1x0i h THR 170 Ca 0.02 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1x0i h THR 170 Cb 1.01 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1x0i h THR 170 CO 0.09 0.44 0.27 0.15 0.37 0.00 0.00 175.52 176.84 1x0i h PHE 171 N 0.92 0.59 -0.91 3.16 3.57 -1.09 -2.18 116.94 121.00 1x0i h PHE 171 Ca 0.15 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.78 1x0i h PHE 171 Cb 0.64 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 1x0i h PHE 171 CO 0.04 0.41 0.52 0.87 -2.23 0.00 0.00 178.31 177.93 1x0i h LYS 172 N 0.59 0.76 -0.07 1.11 1.57 -1.14 0.56 116.57 119.95 1x0i h LYS 172 Ca 0.16 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1x0i h LYS 172 Cb -0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1x0i h LYS 172 CO -0.03 0.50 0.00 0.28 -0.57 0.00 0.00 179.45 179.63 1x0i h VAL 173 N 0.78 1.25 -0.75 0.50 2.07 -1.20 -0.59 116.25 118.31 1x0i h VAL 173 Ca 0.47 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1x0i h VAL 173 Cb 0.58 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1x0i h VAL 173 CO -0.31 0.21 0.36 -0.07 0.02 0.00 0.00 177.57 177.78 1x0i h LEU 174 N -0.16 0.97 0.11 2.57 3.38 -0.72 -0.73 115.31 120.73 1x0i h LEU 174 Ca 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1x0i h LEU 174 Cb 0.33 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1x0i h LEU 174 CO 0.00 0.82 -0.05 -0.09 0.09 0.00 0.00 178.44 179.21 1x0i h ARG 175 N 1.07 -0.14 0.26 1.13 2.43 0.22 0.15 114.38 119.50 1x0i h ARG 175 Ca 0.26 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1x0i h ARG 175 Cb 0.11 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1x0i h ARG 175 CO -0.03 -0.06 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.30 1x0i h ASN 176 N -0.18 -0.37 -0.95 -3.80 2.35 -0.79 -0.18 115.58 111.65 1x0i h ASN 176 Ca -0.02 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1x0i h ASN 176 Cb 0.15 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 1x0i h ASN 176 CO 0.02 -0.25 0.62 0.58 -1.65 0.00 0.00 177.43 176.76 1x0i h VAL 177 N -0.39 1.15 -0.03 2.81 2.07 -1.10 -1.76 116.25 119.00 1x0i h VAL 177 Ca -0.03 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1x0i h VAL 177 Cb 0.32 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1x0i h VAL 177 CO 0.04 0.22 -0.03 0.71 0.02 0.00 0.00 177.57 178.52 1x0i h THR 178 N 1.18 1.40 -0.87 2.57 1.35 -0.41 -0.83 112.91 117.30 1x0i h THR 178 Ca 0.38 -1.22 0.03 0.00 -0.55 0.00 0.00 66.41 65.05 1x0i h THR 178 Cb 0.03 2.16 -0.05 0.00 -1.73 0.00 0.00 68.15 68.56 1x0i h THR 178 CO -0.12 0.33 0.57 0.58 -0.25 0.00 0.00 175.52 176.63 1x0i h VAL 179 N -0.42 1.16 0.25 6.82 2.07 -0.92 0.17 116.25 125.39 1x0i h VAL 179 Ca 0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1x0i h VAL 179 Cb 0.55 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1x0i h VAL 179 CO 0.01 0.20 -0.12 0.58 0.02 0.00 0.00 177.57 178.26 1x0i h VAL 180 N 1.10 0.60 -0.57 2.57 2.07 -1.33 -2.89 116.25 117.80 1x0i h VAL 180 Ca 0.34 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1x0i h VAL 180 Cb 0.00 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1x0i h VAL 180 CO -0.10 0.14 0.35 -0.07 0.02 0.00 0.00 177.57 177.92 1x0i h LEU 181 N -0.92 0.59 -1.12 2.57 3.38 -1.03 -2.75 115.31 116.02 1x0i h LEU 181 Ca -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1x0i h LEU 181 Cb 0.50 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1x0i h LEU 181 CO 0.06 0.41 0.23 -0.50 0.09 0.00 0.00 178.44 178.73 1x0i h TRP 182 N 0.71 0.85 0.00 1.13 4.06 -1.07 -2.53 115.95 119.10 1x0i h TRP 182 Ca 0.22 -0.05 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 1x0i h TRP 182 Cb -0.01 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 27.88 1x0i h TRP 182 CO -0.05 0.66 -0.20 0.77 -3.56 0.00 0.00 178.44 176.06 1x0i h SER 183 N 0.84 0.00 0.92 -3.49 0.02 -1.26 -2.86 113.55 107.72 1x0i h SER 183 Ca 0.20 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1x0i h SER 183 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1x0i h SER 183 CO -0.02 0.20 -0.14 0.00 -1.14 0.00 0.00 176.83 175.72 1x0i h ALA 184 N 1.80 1.03 0.76 3.77 0.00 -1.30 -3.32 119.26 122.01 1x0i h ALA 184 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1x0i h ALA 184 Cb 0.46 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1x0i h ALA 184 CO 0.03 0.18 -0.37 1.88 0.00 0.00 0.00 179.25 180.97 1x0i h TYR 185 N 0.00 -0.95 -0.14 0.00 -1.99 -1.58 0.57 116.97 112.88 1x0i h TYR 185 Ca -0.00 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.75 1x0i h TYR 185 Cb 0.64 0.31 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 1x0i h TYR 185 CO 0.00 -0.58 0.10 -1.00 -0.00 0.00 0.00 178.16 176.68 1x0i h PRO 186 N -1.05 0.00 -0.31 4.88 0.13 -1.76 0.16 132.00 134.05 1x0i h PRO 186 Ca -0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.87 1x0i h PRO 186 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1x0i h PRO 186 CO 0.17 0.00 -0.40 0.28 -0.23 0.00 0.00 178.00 177.83 1x0i h VAL 187 N 0.00 1.29 -0.44 1.56 2.07 -1.59 0.60 116.25 119.74 1x0i h VAL 187 Ca 0.07 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.91 1x0i h VAL 187 Cb 0.27 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1x0i h VAL 187 CO -0.00 0.51 -0.13 0.58 0.02 0.00 0.00 177.57 178.55 1x0i h VAL 188 N 0.59 1.26 -0.37 2.57 2.07 -0.06 -2.09 116.25 120.22 1x0i h VAL 188 Ca 0.04 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1x0i h VAL 188 Cb 0.99 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1x0i h VAL 188 CO 0.09 0.42 0.07 -0.25 0.02 0.00 0.00 177.57 177.92 1x0i h TRP 189 N 0.73 0.56 -0.14 1.57 7.01 -0.45 -2.67 115.95 122.57 1x0i h TRP 189 Ca 0.12 -0.04 -0.14 0.00 2.11 0.00 0.00 58.89 60.94 1x0i h TRP 189 Cb 0.63 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 1x0i h TRP 189 CO 0.03 0.51 -0.50 -0.07 -2.79 0.00 0.00 178.44 175.62 1x0i h LEU 190 N 0.54 0.39 -0.32 0.65 4.07 -0.22 -3.08 115.31 117.34 1x0i h LEU 190 Ca 0.12 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1x0i h LEU 190 Cb 0.24 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1x0i h LEU 190 CO 0.00 0.83 -0.22 2.30 -1.08 0.00 0.00 178.44 180.27 1x0i n ILE 191 N -3.96 0.00 0.00 1.22 -5.35 -0.92 0.25 119.36 110.60 1x0i n ILE 191 Ca -0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1x0i n ILE 191 Cb 0.56 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 1x0i n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x0i n GLY 192 N 1.34 0.54 0.05 3.28 0.00 -1.03 -1.34 105.19 108.03 1x0i n GLY 192 Ca 0.12 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 45.06 1x0i n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x0i n SER 193 N 0.00 0.65 -0.58 1.61 3.41 -1.26 -2.86 113.62 114.58 1x0i n SER 193 Ca 0.00 -0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.68 1x0i n SER 193 Cb 0.00 0.48 0.43 0.00 -0.26 0.00 0.00 64.21 64.86 1x0i n SER 193 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x0i n GLU 194 N -2.01 1.79 0.00 4.33 4.71 -1.26 -4.82 120.64 123.38 1x0i n GLU 194 Ca 0.03 -1.16 0.00 0.00 -0.01 0.00 0.00 57.16 56.02 1x0i n GLU 194 Cb 0.43 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.40 1x0i n GLU 194 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x0i n GLY 195 N 1.20 4.78 3.56 0.62 0.00 -1.24 -4.98 105.19 109.13 1x0i n GLY 195 Ca 0.18 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1x0i n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0i s ALA 196 N -1.88 2.31 0.00 4.61 0.00 0.14 -4.82 121.76 122.12 1x0i s ALA 196 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1x0i s ALA 196 Cb 0.00 -4.23 -0.07 0.00 0.00 0.00 0.00 23.12 18.82 1x0i s ALA 196 CO 0.00 -3.61 1.28 0.41 0.00 0.00 0.00 175.76 173.84 1x0i n GLY 197 N 5.64 1.50 0.16 0.00 0.00 -1.14 -3.70 105.19 107.65 1x0i n GLY 197 Ca 0.22 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1x0i n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x0i h ILE 198 N 2.74 1.34 -3.40 -0.61 2.04 -1.58 -3.45 117.51 114.59 1x0i h ILE 198 Ca 0.05 -2.39 -0.60 0.00 1.00 0.00 0.00 64.86 62.92 1x0i h ILE 198 Cb 0.38 2.73 -0.11 0.00 -0.74 0.00 0.00 36.82 39.08 1x0i h ILE 198 CO 0.43 0.71 -0.32 -0.69 0.00 0.00 0.00 178.15 178.29 1x0i s VAL 199 N -2.97 5.28 1.13 1.67 1.01 -0.45 -5.06 120.40 121.02 1x0i s VAL 199 Ca -0.11 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 1x0i s VAL 199 Cb 0.05 -3.64 0.25 0.00 0.00 0.00 0.00 36.38 33.04 1x0i s VAL 199 CO 0.90 0.34 1.08 -2.16 0.00 0.00 0.00 175.10 175.26 1x0i s PRO 200 N 0.84 -0.63 0.08 2.72 0.04 -1.26 -4.51 135.00 132.29 1x0i s PRO 200 Ca 0.16 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 1x0i s PRO 200 Cb -0.14 -1.63 -0.16 0.00 0.04 0.00 0.00 34.50 32.61 1x0i s PRO 200 CO 0.05 -3.39 1.65 -0.07 0.04 0.00 0.00 177.00 175.28 1x0i h LEU 201 N -2.36 -0.65 -1.07 -3.56 4.07 -1.99 -2.11 115.31 107.64 1x0i h LEU 201 Ca -0.51 0.04 0.12 0.00 0.08 0.00 0.00 57.88 57.61 1x0i h LEU 201 Cb 1.32 0.19 -0.08 0.00 1.08 0.00 0.00 40.66 43.17 1x0i h LEU 201 CO 0.46 -0.41 0.62 -0.55 -1.08 0.00 0.00 178.44 177.48 1x0i h ASN 202 N -0.65 0.87 -0.29 -0.43 7.08 -1.93 0.56 115.58 120.79 1x0i h ASN 202 Ca -0.05 0.05 -0.14 0.00 -3.08 0.00 0.00 56.30 53.08 1x0i h ASN 202 Cb 0.53 -0.13 -0.00 0.00 -2.08 0.00 0.00 38.32 36.64 1x0i h ASN 202 CO 0.05 0.46 -0.35 0.40 -2.08 0.00 0.00 177.43 175.91 1x0i h ILE 203 N 0.93 1.30 -0.45 6.14 1.08 -1.92 -1.48 117.51 123.11 1x0i h ILE 203 Ca 0.49 -1.54 0.05 0.00 -0.39 0.00 0.00 64.86 63.47 1x0i h ILE 203 Cb 0.53 1.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 1x0i h ILE 203 CO -0.25 0.49 0.19 -0.08 -0.69 0.00 0.00 178.15 177.81 1x0i h GLU 204 N 0.50 0.37 -0.91 2.37 4.81 -0.54 0.71 114.58 121.89 1x0i h GLU 204 Ca 0.04 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1x0i h GLU 204 Cb 0.94 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 1x0i h GLU 204 CO 0.08 0.25 0.60 1.15 -0.73 0.00 0.00 179.01 180.36 1x0i h THR 205 N 0.38 1.22 0.49 0.32 2.02 -0.82 -1.63 112.91 114.89 1x0i h THR 205 Ca 0.20 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1x0i h THR 205 Cb 0.16 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1x0i h THR 205 CO -0.18 0.22 -0.24 0.25 0.37 0.00 0.00 175.52 175.95 1x0i h LEU 206 N 1.21 -0.56 -0.60 2.58 7.12 -0.08 -1.38 115.31 123.60 1x0i h LEU 206 Ca 0.34 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.41 1x0i h LEU 206 Cb -0.11 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 40.10 1x0i h LEU 206 CO -0.08 -0.36 0.28 -0.07 -0.13 0.00 0.00 178.44 178.09 1x0i h LEU 207 N -0.72 0.37 -1.25 2.25 3.38 -0.72 0.51 115.31 119.13 1x0i h LEU 207 Ca -0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1x0i h LEU 207 Cb 0.54 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1x0i h LEU 207 CO 0.11 0.23 0.17 -0.26 0.09 0.00 0.00 178.44 178.78 1x0i h PHE 208 N 0.52 0.69 -0.43 1.13 0.04 -1.22 -0.31 116.94 117.35 1x0i h PHE 208 Ca 0.29 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.98 1x0i h PHE 208 Cb 0.27 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 1x0i h PHE 208 CO -0.12 0.55 0.12 1.98 -0.60 0.00 0.00 178.31 180.24 1x0i h MET 209 N 0.68 0.69 -0.61 1.51 4.05 0.13 0.32 114.93 121.69 1x0i h MET 209 Ca 0.16 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1x0i h MET 209 Cb 0.17 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 1x0i h MET 209 CO -0.01 0.68 0.21 0.28 0.23 0.00 0.00 176.91 178.30 1x0i h VAL 210 N 0.56 1.24 -0.34 -5.77 2.07 -0.45 -1.13 116.25 112.44 1x0i h VAL 210 Ca 0.14 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1x0i h VAL 210 Cb 0.29 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1x0i h VAL 210 CO -0.00 0.31 0.15 -0.07 0.02 0.00 0.00 177.57 177.97 1x0i h LEU 211 N 0.87 0.46 -0.64 2.57 -0.00 -0.68 -2.27 115.31 115.62 1x0i h LEU 211 Ca 0.20 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1x0i h LEU 211 Cb 0.26 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.77 1x0i h LEU 211 CO -0.01 0.49 0.38 0.44 -0.00 0.00 0.00 178.44 179.74 1x0i h ASP 212 N 0.41 0.77 -0.44 -0.43 3.32 -0.06 0.23 116.42 120.23 1x0i h ASP 212 Ca 0.12 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 1x0i h ASP 212 Cb 0.16 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1x0i h ASP 212 CO -0.01 0.60 -0.10 0.58 -1.72 0.00 0.00 179.24 178.59 1x0i h VAL 213 N 0.87 1.27 -0.16 -1.35 2.07 -1.16 -2.14 116.25 115.65 1x0i h VAL 213 Ca 0.23 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1x0i h VAL 213 Cb -0.02 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1x0i h VAL 213 CO -0.04 0.41 -0.06 0.28 0.02 0.00 0.00 177.57 178.18 1x0i h SER 214 N 0.67 0.34 0.62 0.57 0.02 -1.29 0.31 113.55 114.79 1x0i h SER 214 Ca 0.11 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1x0i h SER 214 Cb 0.64 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1x0i h SER 214 CO 0.04 0.65 0.00 0.00 -1.14 0.00 0.00 176.83 176.38 1x0i h ALA 215 N 0.69 1.00 0.00 3.77 0.00 -0.95 -1.68 119.26 122.10 1x0i h ALA 215 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x0i h ALA 215 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x0i h ALA 215 CO 0.02 0.00 -0.20 1.63 0.00 0.00 0.00 179.25 180.70 1x0i n LYS 216 N -2.76 0.10 -0.06 0.00 5.02 -0.81 -4.40 118.16 115.26 1x0i n LYS 216 Ca 0.00 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 1x0i n LYS 216 Cb 0.21 -0.53 -0.06 0.00 -0.02 0.00 0.00 35.03 34.63 1x0i n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x0i h VAL 217 N -0.20 1.30 -0.10 -0.18 2.07 -0.61 -0.23 116.25 118.31 1x0i h VAL 217 Ca 0.00 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.45 1x0i h VAL 217 Cb 0.20 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1x0i h VAL 217 CO 0.00 0.33 -0.13 1.23 0.02 0.00 0.00 177.57 179.02 1x0i h GLY 218 N 0.06 -0.07 0.71 2.17 0.00 -0.72 0.64 103.07 105.86 1x0i h GLY 218 Ca 0.04 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.56 1x0i h GLY 218 CO 0.02 -0.13 0.08 -2.75 0.00 0.00 0.00 176.54 173.76 1x0i h PHE 219 N -0.17 0.14 -0.64 5.60 3.04 -1.34 -2.19 116.94 121.39 1x0i h PHE 219 Ca 0.08 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.08 1x0i h PHE 219 Cb 0.28 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 1x0i h PHE 219 CO -0.24 0.05 0.38 0.78 -2.02 0.00 0.00 178.31 177.27 1x0i h GLY 220 N 0.20 0.93 0.83 2.40 0.00 -0.41 -1.20 103.07 105.81 1x0i h GLY 220 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.20 1x0i h GLY 220 CO -0.15 0.22 0.00 1.41 0.00 0.00 0.00 176.54 178.02 1x0i h LEU 221 N 0.74 -0.04 -0.55 3.11 3.38 -0.58 0.34 115.31 121.71 1x0i h LEU 221 Ca 0.27 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.31 1x0i h LEU 221 Cb 0.07 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1x0i h LEU 221 CO -0.13 -0.00 0.29 0.40 0.09 0.00 0.00 178.44 179.09 1x0i h ILE 222 N 0.05 0.96 -0.01 1.22 2.04 -1.02 -1.87 117.51 118.88 1x0i h ILE 222 Ca 0.06 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1x0i h ILE 222 Cb 0.06 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1x0i h ILE 222 CO -0.09 0.10 -0.25 0.25 0.00 0.00 0.00 178.15 178.16 1x0i h LEU 223 N 0.55 0.23 0.00 1.44 5.85 -0.91 -3.20 115.31 119.28 1x0i h LEU 223 Ca 0.24 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1x0i h LEU 223 Cb 0.14 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1x0i h LEU 223 CO -0.16 0.96 0.00 0.18 -0.34 0.00 0.00 178.44 179.08 1x0i n LEU 224 N -4.51 0.00 0.01 2.25 4.77 0.12 -2.72 117.00 116.92 1x0i n LEU 224 Ca -0.10 0.36 0.07 0.00 -0.03 0.00 0.00 56.01 56.32 1x0i n LEU 224 Cb 0.50 -0.36 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 1x0i n LEU 224 CO 0.39 -0.10 -0.58 0.54 -1.33 0.00 0.00 177.39 176.31 1x0i n ARG 225 N -1.36 0.65 -1.81 3.23 1.74 -0.71 -4.96 116.66 113.44 1x0i n ARG 225 Ca 0.09 -0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 1x0i n ARG 225 Cb 0.20 -1.62 0.12 0.00 -1.02 0.00 0.00 32.46 30.14 1x0i n ARG 225 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x0i s SER 226 N -4.98 4.02 0.05 0.55 1.04 -1.10 -4.97 113.70 108.30 1x0i s SER 226 Ca -0.06 0.74 0.24 0.00 0.48 0.00 0.00 55.95 57.35 1x0i s SER 226 Cb 0.11 -1.18 0.20 0.00 0.10 0.00 0.00 66.02 65.26 1x0i s SER 226 CO 0.86 -2.21 1.18 0.54 0.98 0.00 0.00 173.24 174.59 1x0i n ARG 227 N -3.51 0.20 -0.15 4.02 5.12 -1.26 -4.30 116.66 116.77 1x0i n ARG 227 Ca 0.09 0.02 0.28 0.00 -1.93 0.00 0.00 57.85 56.31 1x0i n ARG 227 Cb 0.60 -1.58 0.71 0.00 -1.16 0.00 0.00 32.46 31.04 1x0i n ARG 227 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x0i h ALA 228 N 2.68 2.74 0.00 7.54 0.00 -1.87 0.12 119.26 130.48 1x0i h ALA 228 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x0i h ALA 228 Cb 0.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1x0i h ALA 228 CO 0.00 -1.15 0.00 0.44 0.00 0.00 0.00 179.25 178.54 1x0i n ILE 229 N -3.99 0.40 -3.65 0.00 -5.35 -1.26 -4.75 119.36 100.76 1x0i n ILE 229 Ca 0.18 0.10 -0.37 0.00 -0.27 0.00 0.00 62.75 62.39 1x0i n ILE 229 Cb 1.01 -0.78 -0.06 0.00 -1.74 0.00 0.00 39.64 38.07 1x0i n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1x0i s PHE 230 N -2.56 3.67 0.98 4.28 0.08 0.41 -1.95 117.98 122.88 1x0i s PHE 230 Ca 0.19 0.80 -0.14 0.00 0.12 0.00 0.00 56.93 57.90 1x0i s PHE 230 Cb 0.13 -2.14 0.05 0.00 -0.57 0.00 0.00 43.02 40.48 1x0i s PHE 230 CO 0.30 0.67 0.31 0.41 -0.10 0.00 0.00 175.22 176.81 1x0i n GLY 231 N 1.77 -2.14 0.00 4.36 0.00 -1.26 -4.98 105.19 102.93 1x0i n GLY 231 Ca -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1x0i n GLY 231 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x0i n GLU 232 N -1.70 0.00 0.00 1.61 1.02 -1.26 -5.11 120.64 115.20 1x0i n GLU 232 Ca 0.05 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 1x0i n GLU 232 Cb 0.55 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 32.11 1x0i n GLU 232 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31