#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cod n GLY 6 N 0.00 -0.53 3.77 3.41 0.00 -1.26 -4.97 105.19 105.60 3cod n GLY 6 Ca 0.00 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3cod n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cod s ARG 7 N -5.18 3.52 0.60 1.61 0.52 -1.26 -4.90 118.95 113.86 3cod s ARG 7 Ca 0.10 1.81 0.29 0.00 -0.52 0.00 0.00 55.73 57.40 3cod s ARG 7 Cb -0.01 -2.26 1.52 0.00 0.52 0.00 0.00 34.95 34.72 3cod s ARG 7 CO 0.74 -0.76 1.92 -1.35 0.02 0.00 0.00 175.30 175.87 3cod h PRO 8 N 1.68 0.00 -0.01 3.54 0.11 -2.00 -1.77 132.00 133.55 3cod h PRO 8 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cod h PRO 8 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3cod h PRO 8 CO 0.59 0.00 -0.18 -0.85 -0.21 0.00 0.00 178.00 177.34 3cod n GLU 9 N -3.57 1.03 -0.34 1.05 0.00 -1.26 -4.35 120.64 113.19 3cod n GLU 9 Ca 0.06 -0.59 0.03 0.00 0.00 0.00 0.00 57.16 56.66 3cod n GLU 9 Cb 0.58 -1.49 0.21 0.00 0.00 0.00 0.00 31.44 30.73 3cod n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 3cod h TRP 10 N 1.44 1.13 -0.15 -1.84 5.08 -1.69 -2.16 115.95 117.76 3cod h TRP 10 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3cod h TRP 10 Cb 0.49 -0.37 -0.01 0.00 -3.00 0.00 0.00 29.16 26.27 3cod h TRP 10 CO 0.00 0.59 0.09 0.97 -1.28 0.00 0.00 178.44 178.81 3cod h ILE 11 N 1.11 1.04 0.00 0.12 6.09 -1.82 0.35 117.51 124.40 3cod h ILE 11 Ca 0.41 -0.09 -0.13 0.00 -1.37 0.00 0.00 64.86 63.68 3cod h ILE 11 Cb 0.18 0.83 -0.02 0.00 0.47 0.00 0.00 36.82 38.28 3cod h ILE 11 CO -0.16 0.04 -0.73 -0.50 -3.07 0.00 0.00 178.15 173.73 3cod h TRP 12 N 0.20 0.00 -0.14 2.19 -0.00 -1.71 -1.87 115.95 114.63 3cod h TRP 12 Ca 0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 58.89 58.74 3cod h TRP 12 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.15 3cod h TRP 12 CO 0.00 0.59 -0.73 -0.07 -0.00 0.00 0.00 178.44 178.23 3cod h LEU 13 N 0.00 0.76 -0.49 -4.49 4.07 -0.56 -0.93 115.31 113.67 3cod h LEU 13 Ca -0.03 -0.48 -0.15 0.00 0.08 0.00 0.00 57.88 57.29 3cod h LEU 13 Cb 1.48 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 3cod h LEU 13 CO 0.07 1.26 -0.40 0.00 -1.08 0.00 0.00 178.44 178.29 3cod h ALA 14 N 0.73 0.67 -0.41 1.53 0.00 -0.36 -1.55 119.26 119.87 3cod h ALA 14 Ca -0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3cod h ALA 14 Cb 1.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3cod h ALA 14 CO 0.14 0.67 -0.27 1.25 0.00 0.00 0.00 179.25 181.04 3cod h LEU 15 N 0.66 0.90 -0.67 0.00 6.46 -1.25 -1.24 115.31 120.17 3cod h LEU 15 Ca 0.05 -0.36 -0.11 0.00 -0.12 0.00 0.00 57.88 57.35 3cod h LEU 15 Cb 0.96 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 3cod h LEU 15 CO 0.09 1.12 -0.12 1.23 -0.62 0.00 0.00 178.44 180.13 3cod h GLY 16 N 0.90 0.98 0.89 3.75 0.00 -1.05 -1.37 103.07 107.17 3cod h GLY 16 Ca 0.09 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 3cod h GLY 16 CO 0.07 0.71 0.06 -0.84 0.00 0.00 0.00 176.54 176.54 3cod h THR 17 N 0.80 1.23 -0.05 4.70 2.02 -1.10 -1.35 112.91 119.16 3cod h THR 17 Ca 0.13 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3cod h THR 17 Cb 0.65 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3cod h THR 17 CO 0.05 0.25 0.03 0.00 0.37 0.00 0.00 175.52 176.22 3cod h ALA 18 N 0.90 0.06 -0.44 6.16 0.00 -1.08 -1.12 119.26 123.74 3cod h ALA 18 Ca 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3cod h ALA 18 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3cod h ALA 18 CO 0.00 -0.43 -0.07 -0.07 0.00 0.00 0.00 179.25 178.68 3cod h LEU 19 N 0.04 0.75 -0.39 0.00 3.38 -1.23 -1.70 115.31 116.16 3cod h LEU 19 Ca 0.02 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 3cod h LEU 19 Cb 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3cod h LEU 19 CO -0.00 0.86 -0.52 0.24 0.09 0.00 0.00 178.44 179.11 3cod h MET 20 N 0.70 0.78 0.14 1.13 2.86 -1.15 -2.01 114.93 117.39 3cod h MET 20 Ca 0.13 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 3cod h MET 20 Cb 0.53 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3cod h MET 20 CO 0.03 1.11 -0.07 0.78 1.06 0.00 0.00 176.91 179.82 3cod h GLY 21 N 0.83 -0.20 0.76 8.32 0.00 -1.05 -1.30 103.07 110.43 3cod h GLY 21 Ca 0.02 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3cod h GLY 21 CO 0.11 -0.07 0.55 1.41 0.00 0.00 0.00 176.54 178.54 3cod h LEU 22 N -0.49 0.88 -1.00 3.11 3.38 -1.36 -1.19 115.31 118.63 3cod h LEU 22 Ca -0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3cod h LEU 22 Cb 0.39 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3cod h LEU 22 CO 0.03 0.57 -0.11 1.23 0.09 0.00 0.00 178.44 180.26 3cod h GLY 23 N 1.02 0.64 0.78 0.83 0.00 -1.31 -2.07 103.07 102.96 3cod h GLY 23 Ca 0.37 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3cod h GLY 23 CO -0.16 0.42 -0.18 -0.84 0.00 0.00 0.00 176.54 175.79 3cod h THR 24 N 0.55 0.63 -0.45 4.70 2.02 -0.13 -2.09 112.91 118.15 3cod h THR 24 Ca 0.10 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 66.94 3cod h THR 24 Cb 0.51 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3cod h THR 24 CO 0.03 0.07 0.20 -0.07 0.37 0.00 0.00 175.52 176.12 3cod h LEU 25 N -0.72 0.25 -0.80 2.58 3.38 -1.22 0.10 115.31 118.89 3cod h LEU 25 Ca -0.05 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3cod h LEU 25 Cb 0.50 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3cod h LEU 25 CO 0.08 0.18 0.50 0.22 0.09 0.00 0.00 178.44 179.51 3cod h TYR 26 N 0.39 0.93 -0.36 1.13 3.20 -1.37 0.16 116.97 121.05 3cod h TYR 26 Ca 0.20 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 3cod h TYR 26 Cb 0.15 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3cod h TYR 26 CO -0.13 0.49 -0.26 0.74 -1.64 0.00 0.00 178.16 177.36 3cod h PHE 27 N 0.94 0.96 0.37 -3.82 0.04 -0.83 -1.58 116.94 113.02 3cod h PHE 27 Ca 0.34 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3cod h PHE 27 Cb 0.10 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 3cod h PHE 27 CO -0.04 1.04 -0.20 1.25 -0.60 0.00 0.00 178.31 179.76 3cod h LEU 28 N 0.61 -0.49 -0.77 1.54 6.46 -0.14 0.66 115.31 123.17 3cod h LEU 28 Ca 0.07 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.90 3cod h LEU 28 Cb 0.83 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 3cod h LEU 28 CO 0.07 -0.33 0.48 0.58 -0.62 0.00 0.00 178.44 178.62 3cod h VAL 29 N -0.53 1.06 -0.13 1.05 2.07 -0.72 -0.71 116.25 118.34 3cod h VAL 29 Ca -0.04 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 3cod h VAL 29 Cb 0.43 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3cod h VAL 29 CO 0.06 0.16 -0.54 0.50 0.02 0.00 0.00 177.57 177.77 3cod h LYS 30 N 0.90 0.37 -0.13 1.57 3.64 -1.03 -3.26 116.57 118.62 3cod h LYS 30 Ca 0.33 -0.23 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 3cod h LYS 30 Cb 0.10 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3cod h LYS 30 CO -0.14 0.82 -0.74 0.78 -2.27 0.00 0.00 179.45 177.89 3cod h GLY 31 N 1.26 0.70 -0.14 5.01 0.00 0.11 -3.18 103.07 106.82 3cod h GLY 31 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.37 3cod h GLY 31 CO 0.09 0.86 0.00 1.03 0.00 0.00 0.00 176.54 178.52 3cod n MET 32 N -3.90 1.22 -0.07 4.80 2.81 -0.35 -3.24 117.12 118.40 3cod n MET 32 Ca -0.06 -0.34 -0.04 0.00 -1.81 0.00 0.00 57.70 55.44 3cod n MET 32 Cb 0.72 -1.18 -0.14 0.00 -0.71 0.00 0.00 33.22 31.91 3cod n MET 32 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cod n GLY 33 N 0.75 -0.86 3.77 3.03 0.00 -1.20 -4.97 105.19 105.72 3cod n GLY 33 Ca 0.08 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3cod n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cod s VAL 34 N -2.62 3.44 -0.09 1.61 1.01 -1.20 -4.97 120.40 117.57 3cod s VAL 34 Ca -0.08 1.19 0.16 0.00 0.00 0.00 0.00 61.98 63.24 3cod s VAL 34 Cb 0.07 -3.65 -0.23 0.00 0.00 0.00 0.00 36.38 32.56 3cod s VAL 34 CO 0.73 0.09 0.21 -1.54 0.00 0.00 0.00 175.10 174.58 3cod n SER 35 N 0.13 1.09 -4.69 3.32 3.41 -1.26 -4.89 113.62 110.73 3cod n SER 35 Ca 0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.21 3cod n SER 35 Cb 0.48 1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 65.70 3cod n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3cod n ASP 36 N -2.35 3.73 0.10 4.04 2.03 -1.26 -4.92 116.55 117.92 3cod n ASP 36 Ca -0.15 1.04 -0.12 0.00 0.52 0.00 0.00 54.79 56.07 3cod n ASP 36 Cb 0.75 -1.51 -0.06 0.00 -0.72 0.00 0.00 41.12 39.58 3cod n ASP 36 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3cod h PRO 37 N 7.27 -0.33 -0.35 -0.67 0.11 -1.96 -0.57 132.00 135.50 3cod h PRO 37 Ca -0.45 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.70 3cod h PRO 37 Cb 1.23 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3cod h PRO 37 CO 0.93 -0.22 0.20 -0.44 -0.21 0.00 0.00 178.00 178.26 3cod h ASP 38 N -0.34 0.31 -0.65 -2.05 3.32 -1.91 -0.94 116.42 114.16 3cod h ASP 38 Ca 0.02 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3cod h ASP 38 Cb 0.36 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 3cod h ASP 38 CO -0.09 0.23 0.38 0.00 -1.72 0.00 0.00 179.24 178.04 3cod h ALA 39 N 1.16 0.86 -0.92 3.45 0.00 -1.20 -0.82 119.26 121.78 3cod h ALA 39 Ca 0.14 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3cod h ALA 39 Cb 0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3cod h ALA 39 CO -0.07 0.10 0.59 0.87 0.00 0.00 0.00 179.25 180.74 3cod h LYS 40 N 0.74 1.03 0.16 0.00 1.79 -0.55 0.29 116.57 120.03 3cod h LYS 40 Ca 0.28 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 3cod h LYS 40 Cb 0.09 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 3cod h LYS 40 CO -0.14 0.68 -0.18 -0.22 -1.08 0.00 0.00 179.45 178.52 3cod h LYS 41 N 1.06 -0.37 -0.74 3.15 3.64 0.20 0.87 116.57 124.38 3cod h LYS 41 Ca 0.40 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 3cod h LYS 41 Cb 0.17 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3cod h LYS 41 CO -0.17 -0.25 0.35 0.74 -2.27 0.00 0.00 179.45 177.86 3cod h PHE 42 N -0.38 1.07 -0.67 1.91 0.04 -0.92 -2.58 116.94 115.40 3cod h PHE 42 Ca 0.01 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3cod h PHE 42 Cb 0.37 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 3cod h PHE 42 CO -0.15 0.79 0.33 1.88 -0.60 0.00 0.00 178.31 180.55 3cod h TYR 43 N 1.04 0.96 -0.57 -0.55 0.05 -0.63 0.85 116.97 118.13 3cod h TYR 43 Ca 0.25 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.96 3cod h TYR 43 Cb 0.12 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3cod h TYR 43 CO 0.01 0.72 0.24 0.00 -1.05 0.00 0.00 178.16 178.08 3cod h ALA 44 N 1.15 0.73 -0.04 3.88 0.00 -0.63 -0.71 119.26 123.64 3cod h ALA 44 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3cod h ALA 44 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3cod h ALA 44 CO -0.03 0.33 -0.04 0.82 0.00 0.00 0.00 179.25 180.32 3cod h ILE 45 N 0.77 1.38 0.00 0.00 2.04 -1.26 -2.86 117.51 117.58 3cod h ILE 45 Ca 0.19 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 3cod h ILE 45 Cb 0.17 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3cod h ILE 45 CO -0.02 0.33 -0.12 0.74 0.00 0.00 0.00 178.15 179.08 3cod h THR 46 N -0.35 0.38 0.05 -0.27 2.02 -0.80 -2.86 112.91 111.09 3cod h THR 46 Ca 0.01 -0.68 -0.27 0.00 0.77 0.00 0.00 66.41 66.24 3cod h THR 46 Cb 0.55 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 3cod h THR 46 CO 0.01 0.12 -1.37 0.74 0.37 0.00 0.00 175.52 175.38 3cod h THR 47 N 0.00 1.29 -0.12 3.16 2.02 -1.15 -3.32 112.91 114.79 3cod h THR 47 Ca -0.00 -3.01 -0.11 0.00 0.77 0.00 0.00 66.41 64.06 3cod h THR 47 Cb 0.49 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 3cod h THR 47 CO 0.02 0.80 -0.41 0.25 0.37 0.00 0.00 175.52 176.54 3cod h LEU 48 N 0.03 0.28 0.47 2.58 5.85 -1.32 -2.96 115.31 120.23 3cod h LEU 48 Ca -0.17 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3cod h LEU 48 Cb 1.93 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.86 3cod h LEU 48 CO 0.13 0.66 -0.48 0.58 -0.34 0.00 0.00 178.44 179.00 3cod h VAL 49 N 0.22 0.06 0.00 1.05 2.07 -1.61 -1.47 116.25 116.58 3cod h VAL 49 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3cod h VAL 49 Cb 0.82 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3cod h VAL 49 CO 0.07 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.21 3cod h PRO 50 N -0.95 0.00 -0.44 1.57 0.13 -1.72 -2.68 132.00 127.91 3cod h PRO 50 Ca -0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 3cod h PRO 50 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3cod h PRO 50 CO -0.07 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 177.55 3cod h ALA 51 N 2.03 0.61 -0.28 -0.56 0.00 -1.28 0.26 119.26 120.04 3cod h ALA 51 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 3cod h ALA 51 Cb 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3cod h ALA 51 CO 0.00 0.54 -0.49 0.82 0.00 0.00 0.00 179.25 180.12 3cod h ILE 52 N 0.71 1.29 -0.50 0.00 2.04 -1.09 -2.71 117.51 117.25 3cod h ILE 52 Ca 0.11 -1.69 -0.09 0.00 1.00 0.00 0.00 64.86 64.20 3cod h ILE 52 Cb 0.71 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3cod h ILE 52 CO 0.05 0.54 -0.03 0.00 0.00 0.00 0.00 178.15 178.72 3cod h ALA 53 N 0.84 1.00 -0.08 1.87 0.00 -1.33 -2.61 119.26 118.95 3cod h ALA 53 Ca 0.03 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3cod h ALA 53 Cb 1.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3cod h ALA 53 CO 0.10 0.61 0.03 0.35 0.00 0.00 0.00 179.25 180.34 3cod h PHE 54 N 0.80 0.06 -0.91 0.00 3.57 -0.78 -0.07 116.94 119.60 3cod h PHE 54 Ca 0.15 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3cod h PHE 54 Cb 0.52 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3cod h PHE 54 CO 0.03 0.03 0.60 1.79 -2.23 0.00 0.00 178.31 178.53 3cod h THR 55 N 0.07 1.24 -0.17 4.41 1.35 -1.36 -0.25 112.91 118.20 3cod h THR 55 Ca 0.03 -0.44 -0.12 0.00 -0.55 0.00 0.00 66.41 65.33 3cod h THR 55 Cb 0.01 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.33 3cod h THR 55 CO -0.03 0.23 -0.38 0.24 -0.25 0.00 0.00 175.52 175.33 3cod h MET 56 N 1.24 0.55 -0.49 4.72 2.86 -1.28 -1.00 114.93 121.53 3cod h MET 56 Ca 0.33 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3cod h MET 56 Cb -0.13 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3cod h MET 56 CO -0.07 0.99 0.08 1.88 1.06 0.00 0.00 176.91 180.85 3cod h TYR 57 N 0.20 0.79 -0.38 -0.22 0.05 -0.87 -0.08 116.97 116.45 3cod h TYR 57 Ca -0.00 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.62 3cod h TYR 57 Cb 0.99 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 3cod h TYR 57 CO 0.10 0.69 -0.08 1.25 -1.05 0.00 0.00 178.16 179.06 3cod h LEU 58 N 0.73 0.73 -0.10 3.88 6.46 -0.98 -0.67 115.31 125.35 3cod h LEU 58 Ca 0.16 -0.36 -0.00 0.00 -0.12 0.00 0.00 57.88 57.56 3cod h LEU 58 Cb 0.32 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3cod h LEU 58 CO 0.00 0.92 0.06 0.28 -0.62 0.00 0.00 178.44 179.08 3cod h SER 59 N 0.52 0.12 -0.53 1.25 0.02 -0.65 -0.02 113.55 114.26 3cod h SER 59 Ca 0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3cod h SER 59 Cb 0.60 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3cod h SER 59 CO 0.04 0.12 0.28 0.24 -1.14 0.00 0.00 176.83 176.36 3cod h MET 60 N 0.11 0.78 -0.67 3.45 2.86 -0.94 0.25 114.93 120.78 3cod h MET 60 Ca 0.04 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3cod h MET 60 Cb 0.02 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3cod h MET 60 CO -0.01 0.60 0.20 1.25 1.06 0.00 0.00 176.91 180.01 3cod h LEU 61 N 0.78 0.96 -0.19 1.22 5.85 -0.59 -2.05 115.31 121.30 3cod h LEU 61 Ca 0.20 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3cod h LEU 61 Cb 0.07 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3cod h LEU 61 CO -0.03 0.91 0.00 0.18 -0.34 0.00 0.00 178.44 179.16 3cod n LEU 62 N -4.26 0.29 0.00 2.25 4.77 -0.07 -4.89 117.00 115.09 3cod n LEU 62 Ca 0.05 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3cod n LEU 62 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3cod n LEU 62 CO 0.41 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3cod n GLY 63 N 0.88 0.98 3.82 -0.72 0.00 -0.74 -5.05 105.19 104.35 3cod n GLY 63 Ca 0.16 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3cod n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cod s TYR 64 N -2.00 2.57 -0.86 1.61 1.51 -0.03 -4.60 117.35 115.55 3cod s TYR 64 Ca 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 3cod s TYR 64 Cb 0.00 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 3cod s TYR 64 CO 0.00 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 3cod n GLY 65 N -1.43 1.00 3.22 0.71 0.00 -1.26 -3.46 105.19 103.96 3cod n GLY 65 Ca 0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3cod n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cod s LEU 66 N -1.83 2.02 -0.02 0.99 2.96 -1.26 -0.09 118.68 121.45 3cod s LEU 66 Ca 0.00 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 3cod s LEU 66 Cb 0.00 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.41 3cod s LEU 66 CO 0.00 0.19 0.10 0.28 -1.32 0.00 0.00 176.35 175.60 3cod s THR 67 N 0.08 0.04 -0.40 3.68 -1.32 -0.44 -4.95 115.64 112.33 3cod s THR 67 Ca -0.09 -0.35 -0.21 0.00 -1.21 0.00 0.00 61.69 59.83 3cod s THR 67 Cb -0.15 -0.26 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 3cod s THR 67 CO 0.05 -0.19 0.68 -0.04 -2.21 0.00 0.00 174.62 172.91 3cod s MET 68 N -0.61 3.50 -0.22 7.08 1.00 -1.26 -0.07 119.30 128.72 3cod s MET 68 Ca -0.07 -0.10 -0.07 0.00 0.00 0.00 0.00 55.69 55.45 3cod s MET 68 Cb -0.04 -3.88 -0.03 0.00 0.00 0.00 0.00 34.83 30.87 3cod s MET 68 CO 0.00 -0.91 0.07 0.08 0.00 0.00 0.00 175.02 174.26 3cod s VAL 69 N 2.90 4.55 -0.06 -6.03 1.01 0.19 -4.83 120.40 118.13 3cod s VAL 69 Ca 0.25 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 3cod s VAL 69 Cb -0.14 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3cod s VAL 69 CO 0.18 0.38 0.92 -2.16 0.00 0.00 0.00 175.10 174.42 3cod s PRO 70 N 1.13 4.47 0.00 2.72 0.04 -1.26 -1.07 135.00 141.02 3cod s PRO 70 Ca 0.05 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.35 3cod s PRO 70 Cb -0.14 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.90 3cod s PRO 70 CO 0.03 -0.14 0.00 1.97 0.04 0.00 0.00 177.00 178.90 3cod n PHE 71 N 4.36 0.00 -1.09 0.56 1.16 -0.77 -4.52 117.46 117.16 3cod n PHE 71 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.60 3cod n PHE 71 Cb 0.50 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.36 3cod n PHE 71 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3cod n GLY 72 N -0.12 0.59 2.10 4.97 0.00 -1.26 -2.27 105.19 109.20 3cod n GLY 72 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3cod n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cod n GLY 73 N -1.82 0.52 3.54 -0.02 0.00 -1.26 -5.02 105.19 101.13 3cod n GLY 73 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 3cod n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cod s GLU 74 N -0.05 1.80 -0.79 1.61 0.41 -0.96 -5.07 118.70 115.63 3cod s GLU 74 Ca 0.00 -1.97 -0.09 0.00 -0.41 0.00 0.00 54.97 52.50 3cod s GLU 74 Cb 0.00 -1.45 0.21 0.00 -1.78 0.00 0.00 34.13 31.10 3cod s GLU 74 CO 0.00 0.00 0.69 -1.14 -0.49 0.00 0.00 175.26 174.32 3cod s GLN 75 N -3.71 3.29 0.02 1.61 2.00 -1.26 -1.85 119.66 119.75 3cod s GLN 75 Ca 0.33 -2.63 -0.30 0.00 -2.00 0.00 0.00 55.36 50.77 3cod s GLN 75 Cb 0.06 -4.17 -0.03 0.00 0.80 0.00 0.00 33.01 29.67 3cod s GLN 75 CO 0.16 -1.25 0.96 -0.80 -0.50 0.00 0.00 175.29 173.87 3cod s ASN 76 N 1.38 7.37 -0.42 6.67 -0.87 -0.24 -4.78 114.94 124.05 3cod s ASN 76 Ca 0.20 1.66 -0.29 0.00 -1.57 0.00 0.00 52.86 52.86 3cod s ASN 76 Cb -0.13 -2.57 0.02 0.00 -0.02 0.00 0.00 41.25 38.55 3cod s ASN 76 CO -0.07 -0.22 1.32 -2.16 -2.57 0.00 0.00 177.10 173.40 3cod s PRO 77 N 0.83 3.65 -0.25 -0.60 0.04 -1.26 0.57 135.00 137.98 3cod s PRO 77 Ca 0.50 0.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 3cod s PRO 77 Cb -0.21 -3.98 0.03 0.00 0.04 0.00 0.00 34.50 30.38 3cod s PRO 77 CO 0.28 -1.48 -0.08 0.42 0.04 0.00 0.00 177.00 176.18 3cod s ILE 78 N 5.06 2.69 -0.88 0.56 -1.09 0.90 -4.85 121.20 123.58 3cod s ILE 78 Ca 0.57 -1.12 -0.24 0.00 -2.23 0.00 0.00 60.65 57.62 3cod s ILE 78 Cb -0.12 -2.38 0.05 0.00 -1.58 0.00 0.00 42.46 38.43 3cod s ILE 78 CO 0.31 0.19 1.34 -0.31 -1.23 0.00 0.00 174.94 175.24 3cod s TYR 79 N 1.28 2.46 -0.55 3.97 2.02 -1.26 -1.32 117.35 123.95 3cod s TYR 79 Ca -0.01 -0.53 0.25 0.00 -0.37 0.00 0.00 57.07 56.42 3cod s TYR 79 Cb -0.17 -4.63 0.67 0.00 -0.40 0.00 0.00 41.96 37.42 3cod s TYR 79 CO -0.05 -1.96 1.72 0.11 -1.57 0.00 0.00 175.55 173.79 3cod h TRP 80 N 9.84 0.00 -0.09 2.71 5.08 -0.87 -3.23 115.95 129.40 3cod h TRP 80 Ca -0.02 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.97 3cod h TRP 80 Cb 1.03 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.19 3cod h TRP 80 CO 1.20 0.00 0.11 0.00 -1.28 0.00 0.00 178.44 178.47 3cod h ALA 81 N 2.27 1.63 -0.66 0.11 0.00 -1.75 -1.90 119.26 118.96 3cod h ALA 81 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cod h ALA 81 Cb 0.81 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3cod h ALA 81 CO 0.00 -0.15 0.43 0.00 0.00 0.00 0.00 179.25 179.53 3cod h ARG 82 N 0.00 0.88 0.00 0.00 3.08 -1.84 -2.00 114.38 114.49 3cod h ARG 82 Ca 0.04 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3cod h ARG 82 Cb 0.25 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3cod h ARG 82 CO -0.00 0.59 -0.32 1.88 -1.07 0.00 0.00 179.97 181.05 3cod h TYR 83 N 0.90 0.00 0.00 3.04 0.05 -1.59 0.14 116.97 119.50 3cod h TYR 83 Ca 0.24 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.92 3cod h TYR 83 Cb -0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3cod h TYR 83 CO -0.02 0.32 -0.49 0.00 -1.05 0.00 0.00 178.16 176.91 3cod h ALA 84 N 1.68 1.12 0.21 3.88 0.00 -1.38 -0.57 119.26 124.19 3cod h ALA 84 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3cod h ALA 84 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3cod h ALA 84 CO 0.04 0.62 -0.10 0.22 0.00 0.00 0.00 179.25 180.03 3cod h ASP 85 N 0.00 -0.23 0.04 0.00 1.82 -0.51 -3.36 116.42 114.17 3cod h ASP 85 Ca -0.00 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 3cod h ASP 85 Cb 0.91 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.98 3cod h ASP 85 CO 0.06 0.20 -0.02 -0.50 -1.61 0.00 0.00 179.24 177.37 3cod h TRP 86 N -1.01 0.00 -0.28 0.28 6.55 -0.81 -2.02 115.95 118.66 3cod h TRP 86 Ca -0.03 0.00 0.06 0.00 0.95 0.00 0.00 58.89 59.88 3cod h TRP 86 Cb 0.21 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.50 3cod h TRP 86 CO 0.00 0.02 0.19 1.25 -1.05 0.00 0.00 178.44 178.86 3cod h LEU 87 N 0.00 0.08 0.00 -4.49 5.85 -1.24 -1.94 115.31 113.57 3cod h LEU 87 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 3cod h LEU 87 Cb 0.05 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3cod h LEU 87 CO 0.00 0.05 -1.86 0.49 -0.34 0.00 0.00 178.44 176.78 3cod n PHE 88 N -4.47 0.00 0.02 1.25 3.72 -1.02 -4.57 117.46 112.39 3cod n PHE 88 Ca 0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.28 3cod n PHE 88 Cb 0.29 -0.60 -0.04 0.00 -0.94 0.00 0.00 39.48 38.18 3cod n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3cod h THR 89 N 0.00 1.32 0.44 4.37 1.35 -1.37 -3.09 112.91 115.94 3cod h THR 89 Ca -0.34 -2.14 -0.02 0.00 -0.55 0.00 0.00 66.41 63.36 3cod h THR 89 Cb 1.67 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 3cod h THR 89 CO -0.01 0.66 -0.22 0.00 -0.25 0.00 0.00 175.52 175.70 3cod h ALA 90 N 0.66 -0.61 -0.16 6.62 0.00 -1.59 -1.86 119.26 122.33 3cod h ALA 90 Ca -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3cod h ALA 90 Cb 1.46 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3cod h ALA 90 CO 0.16 -0.84 -0.12 -1.00 0.00 0.00 0.00 179.25 177.44 3cod h PRO 91 N -0.61 0.25 -0.42 0.00 0.13 -1.77 -2.07 132.00 127.51 3cod h PRO 91 Ca -0.06 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 3cod h PRO 91 Cb 0.48 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 3cod h PRO 91 CO 0.09 0.38 -0.18 -0.07 -0.23 0.00 0.00 178.00 177.99 3cod h LEU 92 N 0.23 0.81 -0.73 1.56 3.38 -1.44 0.11 115.31 119.25 3cod h LEU 92 Ca 0.05 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 3cod h LEU 92 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3cod h LEU 92 CO 0.02 0.98 -0.43 -0.07 0.09 0.00 0.00 178.44 179.04 3cod h LEU 93 N 0.72 0.49 -0.66 1.67 3.38 -1.00 -1.67 115.31 118.24 3cod h LEU 93 Ca 0.11 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3cod h LEU 93 Cb 0.68 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3cod h LEU 93 CO 0.05 0.86 -0.07 -0.07 0.09 0.00 0.00 178.44 179.30 3cod h LEU 94 N 0.38 0.96 -0.70 1.67 4.07 -0.86 -2.74 115.31 118.09 3cod h LEU 94 Ca 0.03 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 57.64 3cod h LEU 94 Cb 0.91 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 3cod h LEU 94 CO 0.08 1.06 0.23 0.25 -1.08 0.00 0.00 178.44 178.97 3cod h LEU 95 N 0.88 1.01 -0.39 1.67 5.85 -0.39 -0.16 115.31 123.78 3cod h LEU 95 Ca 0.15 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3cod h LEU 95 Cb 0.61 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3cod h LEU 95 CO 0.04 0.95 0.14 0.44 -0.34 0.00 0.00 178.44 179.66 3cod h ASP 96 N 1.02 0.15 -0.44 1.25 3.32 -1.05 0.91 116.42 121.58 3cod h ASP 96 Ca 0.23 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 3cod h ASP 96 Cb 0.29 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3cod h ASP 96 CO -0.01 0.12 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.55 3cod h LEU 97 N 0.30 0.83 -0.21 1.55 3.38 -1.20 -2.19 115.31 117.77 3cod h LEU 97 Ca 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3cod h LEU 97 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3cod h LEU 97 CO -0.18 0.90 0.06 0.00 0.09 0.00 0.00 178.44 179.32 3cod h ALA 98 N 1.19 0.27 -0.13 1.53 0.00 -0.12 -2.79 119.26 119.20 3cod h ALA 98 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3cod h ALA 98 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3cod h ALA 98 CO 0.02 -0.10 -0.12 -0.07 0.00 0.00 0.00 179.25 178.98 3cod h LEU 99 N 0.17 0.19 -0.59 0.00 3.38 -0.77 0.38 115.31 118.06 3cod h LEU 99 Ca 0.07 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3cod h LEU 99 Cb 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3cod h LEU 99 CO -0.00 0.34 0.16 0.25 0.09 0.00 0.00 178.44 179.27 3cod h LEU 100 N 0.19 0.89 -2.72 1.67 5.85 -1.14 -3.02 115.31 117.03 3cod h LEU 100 Ca 0.04 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3cod h LEU 100 Cb 0.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3cod h LEU 100 CO 0.02 0.88 0.00 1.33 -0.34 0.00 0.00 178.44 180.33 3cod n VAL 101 N -4.38 0.94 -3.57 1.05 0.24 -1.10 -4.96 118.33 106.56 3cod n VAL 101 Ca 0.03 -0.97 -0.22 0.00 -2.04 0.00 0.00 64.34 61.14 3cod n VAL 101 Cb 0.23 0.55 0.08 0.00 -1.47 0.00 0.00 33.84 33.23 3cod n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3cod n ASP 102 N 1.52 -4.91 -4.59 -1.34 2.03 -0.67 -4.56 116.55 104.03 3cod n ASP 102 Ca 0.23 -0.58 -0.31 0.00 0.52 0.00 0.00 54.79 54.64 3cod n ASP 102 Cb 0.60 -4.99 0.17 0.00 -0.72 0.00 0.00 41.12 36.18 3cod n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cod n ALA 103 N -4.72 -1.48 -2.17 -1.67 0.00 0.03 -4.98 120.51 105.52 3cod n ALA 103 Ca -0.09 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.39 3cod n ALA 103 Cb 0.59 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 3cod n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cod s ASP 104 N -2.48 6.49 0.28 0.00 1.01 -1.26 -4.93 116.67 115.79 3cod s ASP 104 Ca 0.65 1.14 -0.01 0.00 0.71 0.00 0.00 52.55 55.04 3cod s ASP 104 Cb -0.23 -2.33 0.47 0.00 1.01 0.00 0.00 42.92 41.84 3cod s ASP 104 CO 0.61 -0.44 1.88 -0.61 0.21 0.00 0.00 175.17 176.82 3cod h GLN 105 N 1.10 1.08 -0.76 8.23 4.15 -1.99 -1.03 115.11 125.89 3cod h GLN 105 Ca -0.47 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 58.87 3cod h GLN 105 Cb 1.19 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.60 3cod h GLN 105 CO 0.63 0.71 0.43 0.78 -1.93 0.00 0.00 178.83 179.46 3cod h GLY 106 N 1.11 1.12 0.88 2.39 0.00 -1.99 0.58 103.07 107.16 3cod h GLY 106 Ca 0.43 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3cod h GLY 106 CO -0.18 0.47 0.05 -0.84 0.00 0.00 0.00 176.54 176.04 3cod h THR 107 N 1.04 1.13 -0.46 4.70 2.02 -1.65 -1.68 112.91 118.02 3cod h THR 107 Ca 0.27 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3cod h THR 107 Cb 0.00 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3cod h THR 107 CO -0.05 0.12 0.29 0.40 0.37 0.00 0.00 175.52 176.65 3cod h ILE 108 N 0.04 1.08 -0.24 3.11 2.04 -0.91 -0.09 117.51 122.53 3cod h ILE 108 Ca 0.04 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3cod h ILE 108 Cb 0.15 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3cod h ILE 108 CO -0.00 0.11 0.04 0.25 0.00 0.00 0.00 178.15 178.54 3cod h LEU 109 N 0.58 -0.01 -1.00 1.44 6.46 -0.76 -0.17 115.31 121.86 3cod h LEU 109 Ca 0.18 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3cod h LEU 109 Cb -0.03 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 3cod h LEU 109 CO -0.06 0.03 0.59 0.00 -0.62 0.00 0.00 178.44 178.38 3cod h ALA 110 N 1.18 1.26 -0.19 1.25 0.00 -0.89 0.15 119.26 122.02 3cod h ALA 110 Ca 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3cod h ALA 110 Cb 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3cod h ALA 110 CO -0.16 0.65 -0.26 -0.07 0.00 0.00 0.00 179.25 179.42 3cod h LEU 111 N 1.30 0.56 -1.05 0.00 3.38 -0.59 -1.20 115.31 117.71 3cod h LEU 111 Ca 0.34 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3cod h LEU 111 Cb -0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3cod h LEU 111 CO -0.07 0.96 -0.21 0.58 0.09 0.00 0.00 178.44 179.79 3cod h VAL 112 N 0.17 1.25 -0.26 1.22 2.07 -0.87 -0.63 116.25 119.19 3cod h VAL 112 Ca 0.02 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 3cod h VAL 112 Cb 0.83 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3cod h VAL 112 CO 0.06 0.36 -0.11 1.23 0.02 0.00 0.00 177.57 179.13 3cod h GLY 113 N 0.97 0.58 1.60 2.17 0.00 -0.89 -0.51 103.07 107.00 3cod h GLY 113 Ca 0.06 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 3cod h GLY 113 CO 0.04 0.47 -0.02 0.00 0.00 0.00 0.00 176.54 177.03 3cod h ALA 114 N 0.74 1.37 -0.35 3.60 0.00 -1.01 -1.76 119.26 121.85 3cod h ALA 114 Ca 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3cod h ALA 114 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3cod h ALA 114 CO 0.04 0.44 -0.33 0.00 0.00 0.00 0.00 179.25 179.40 3cod h ALA 115 N 1.51 0.76 -0.72 0.00 0.00 -0.91 -1.10 119.26 118.80 3cod h ALA 115 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3cod h ALA 115 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3cod h ALA 115 CO 0.01 0.65 0.39 0.78 0.00 0.00 0.00 179.25 181.09 3cod h GLY 116 N 0.93 1.08 1.05 0.00 0.00 -0.28 -1.56 103.07 104.29 3cod h GLY 116 Ca 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 3cod h GLY 116 CO 0.08 0.47 0.02 -2.22 0.00 0.00 0.00 176.54 174.89 3cod h ILE 117 N 0.99 1.26 0.02 2.60 2.04 -1.15 0.87 117.51 124.14 3cod h ILE 117 Ca 0.25 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.03 3cod h ILE 117 Cb 0.05 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3cod h ILE 117 CO -0.04 0.40 -0.12 -0.03 0.00 0.00 0.00 178.15 178.35 3cod h MET 118 N 0.88 -0.21 -0.07 2.37 4.05 -0.72 0.17 114.93 121.39 3cod h MET 118 Ca 0.16 0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.42 3cod h MET 118 Cb 0.52 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 3cod h MET 118 CO 0.03 -0.14 -0.73 0.82 0.23 0.00 0.00 176.91 177.12 3cod h ILE 119 N -0.22 1.38 0.76 1.77 1.08 -1.26 -2.16 117.51 118.86 3cod h ILE 119 Ca 0.04 -2.15 -0.04 0.00 -0.39 0.00 0.00 64.86 62.32 3cod h ILE 119 Cb 0.26 2.12 0.01 0.00 -3.07 0.00 0.00 36.82 36.14 3cod h ILE 119 CO -0.11 0.64 -0.36 1.23 -0.69 0.00 0.00 178.15 178.86 3cod h GLY 120 N 1.31 -1.06 2.00 5.37 0.00 -0.54 -1.82 103.07 108.33 3cod h GLY 120 Ca -0.03 0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.65 3cod h GLY 120 CO 0.12 -0.39 -0.23 -0.91 0.00 0.00 0.00 176.54 175.13 3cod h THR 121 N -1.12 1.12 -0.24 4.70 1.35 -1.07 -1.92 112.91 115.72 3cod h THR 121 Ca -0.10 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 64.93 3cod h THR 121 Cb 0.80 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3cod h THR 121 CO 0.17 0.23 0.11 1.23 -0.25 0.00 0.00 175.52 177.01 3cod h GLY 122 N 0.75 0.37 0.89 5.82 0.00 -1.24 -0.29 103.07 109.36 3cod h GLY 122 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3cod h GLY 122 CO 0.03 0.18 -0.04 -2.00 0.00 0.00 0.00 176.54 174.71 3cod h LEU 123 N 0.24 0.56 -1.05 3.11 5.85 -1.04 -1.25 115.31 121.74 3cod h LEU 123 Ca 0.08 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.56 3cod h LEU 123 Cb 0.13 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 3cod h LEU 123 CO -0.01 0.76 0.63 0.58 -0.34 0.00 0.00 178.44 180.06 3cod h VAL 124 N 0.34 0.99 -0.20 1.05 2.07 -1.23 -0.21 116.25 119.07 3cod h VAL 124 Ca 0.08 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 3cod h VAL 124 Cb 0.50 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3cod h VAL 124 CO 0.02 0.19 -0.55 1.23 0.02 0.00 0.00 177.57 178.48 3cod h GLY 125 N 1.04 0.66 2.00 2.17 0.00 -0.80 -0.19 103.07 107.95 3cod h GLY 125 Ca 0.46 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3cod h GLY 125 CO -0.21 0.69 0.00 0.00 0.00 0.00 0.00 176.54 177.02 3cod h ALA 126 N 0.92 1.00 0.00 3.60 0.00 -0.02 -2.85 119.26 121.92 3cod h ALA 126 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3cod h ALA 126 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3cod h ALA 126 CO 0.11 0.00 -1.33 1.28 0.00 0.00 0.00 179.25 179.30 3cod n LEU 127 N -2.63 0.38 -4.74 0.00 4.77 -0.21 -4.94 117.00 109.63 3cod n LEU 127 Ca 0.02 -0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 3cod n LEU 127 Cb 0.27 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3cod n LEU 127 CO 0.24 0.09 1.02 0.41 -1.33 0.00 0.00 177.39 177.82 3cod n THR 128 N -1.78 2.01 0.04 -5.08 -1.04 -0.11 -4.93 114.28 103.39 3cod n THR 128 Ca -0.00 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.54 3cod n THR 128 Cb 0.37 -1.78 -0.08 0.00 -1.82 0.00 0.00 70.33 67.03 3cod n THR 128 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3cod n LYS 129 N 0.49 0.63 -2.73 -2.82 5.02 -1.26 -4.75 118.16 112.73 3cod n LYS 129 Ca 0.03 0.14 -0.43 0.00 -2.02 0.00 0.00 58.31 56.03 3cod n LYS 129 Cb 0.37 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3cod n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cod s VAL 130 N -3.07 4.26 0.15 -0.18 1.01 -1.26 -4.45 120.40 116.86 3cod s VAL 130 Ca -0.03 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 3cod s VAL 130 Cb 0.09 -4.59 -0.07 0.00 0.00 0.00 0.00 36.38 31.81 3cod s VAL 130 CO 0.82 -1.14 1.48 0.00 0.00 0.00 0.00 175.10 176.26 3cod n TYR 131 N 7.78 -0.42 -0.20 5.22 4.19 -1.26 -1.10 117.16 131.37 3cod n TYR 131 Ca 0.05 1.20 0.08 0.00 3.31 0.00 0.00 57.90 62.55 3cod n TYR 131 Cb 0.48 -0.58 0.36 0.00 0.49 0.00 0.00 39.34 40.10 3cod n TYR 131 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 3cod h SER 132 N 0.00 0.65 0.80 2.98 4.64 -1.99 -1.72 113.55 118.92 3cod h SER 132 Ca 0.15 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3cod h SER 132 Cb 0.39 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3cod h SER 132 CO -0.90 0.40 -0.18 1.88 -0.87 0.00 0.00 176.83 177.16 3cod h TYR 133 N 0.73 0.00 -0.09 4.77 0.05 -1.53 -2.62 116.97 118.28 3cod h TYR 133 Ca 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.12 3cod h TYR 133 Cb 0.38 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 3cod h TYR 133 CO -0.00 0.18 0.05 0.00 -1.05 0.00 0.00 178.16 177.34 3cod h ARG 134 N 0.00 0.13 0.00 4.88 3.08 -0.96 -0.33 114.38 121.18 3cod h ARG 134 Ca -0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3cod h ARG 134 Cb 0.63 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3cod h ARG 134 CO 0.02 0.09 -0.38 0.74 -1.07 0.00 0.00 179.97 179.38 3cod h PHE 135 N 0.13 0.00 -0.26 3.04 0.04 -1.56 -2.25 116.94 116.08 3cod h PHE 135 Ca 0.03 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.68 3cod h PHE 135 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3cod h PHE 135 CO 0.00 0.19 -0.33 0.28 -0.60 0.00 0.00 178.31 177.85 3cod h VAL 136 N 0.00 1.31 -0.25 -0.55 2.07 -1.05 0.48 116.25 118.26 3cod h VAL 136 Ca -0.01 -1.52 -0.18 0.00 0.82 0.00 0.00 66.70 65.81 3cod h VAL 136 Cb 1.16 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3cod h VAL 136 CO 0.02 0.48 -0.56 -0.50 0.02 0.00 0.00 177.57 177.04 3cod h TRP 137 N 0.40 0.95 -0.53 1.57 4.06 -1.48 -2.38 115.95 118.54 3cod h TRP 137 Ca 0.03 -0.34 0.02 0.00 2.06 0.00 0.00 58.89 60.66 3cod h TRP 137 Cb 0.91 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.86 3cod h TRP 137 CO 0.08 1.14 0.33 2.35 -3.56 0.00 0.00 178.44 178.77 3cod h TRP 138 N 0.58 0.61 -0.45 0.49 7.01 -1.30 -0.73 115.95 122.15 3cod h TRP 138 Ca 0.01 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.06 3cod h TRP 138 Cb 1.14 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.97 3cod h TRP 138 CO 0.06 0.36 0.24 0.00 -2.79 0.00 0.00 178.44 176.31 3cod h ALA 139 N 1.22 0.57 -0.65 2.65 0.00 -0.72 -0.92 119.26 121.42 3cod h ALA 139 Ca 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3cod h ALA 139 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3cod h ALA 139 CO -0.08 -0.10 0.08 0.82 0.00 0.00 0.00 179.25 179.97 3cod h ILE 140 N 0.48 1.26 -0.67 0.00 2.04 -1.07 -1.45 117.51 118.10 3cod h ILE 140 Ca 0.19 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 3cod h ILE 140 Cb 0.07 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3cod h ILE 140 CO -0.12 0.40 0.16 -1.28 0.00 0.00 0.00 178.15 177.31 3cod h SER 141 N 1.01 1.01 -0.03 1.72 0.87 -0.75 -2.09 113.55 115.30 3cod h SER 141 Ca 0.19 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.40 3cod h SER 141 Cb 0.47 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3cod h SER 141 CO 0.02 0.99 -0.34 0.74 -0.53 0.00 0.00 176.83 177.70 3cod h THR 142 N 0.99 1.29 -0.47 2.23 2.02 -0.96 -1.97 112.91 116.05 3cod h THR 142 Ca 0.21 -1.45 -0.04 0.00 0.77 0.00 0.00 66.41 65.89 3cod h THR 142 Cb 0.37 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3cod h THR 142 CO 0.00 0.46 0.12 0.00 0.37 0.00 0.00 175.52 176.47 3cod h ALA 143 N 1.20 1.33 -0.44 6.16 0.00 -0.94 -0.75 119.26 125.82 3cod h ALA 143 Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3cod h ALA 143 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3cod h ALA 143 CO 0.07 0.48 -0.28 0.00 0.00 0.00 0.00 179.25 179.52 3cod h ALA 144 N 1.44 0.63 -0.69 0.00 0.00 -0.96 -2.55 119.26 117.12 3cod h ALA 144 Ca 0.16 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3cod h ALA 144 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3cod h ALA 144 CO -0.00 0.66 0.15 1.98 0.00 0.00 0.00 179.25 182.04 3cod h MET 145 N 0.80 1.12 -0.16 0.00 -1.53 -0.76 -2.06 114.93 112.35 3cod h MET 145 Ca 0.09 -0.28 -0.04 0.00 -3.44 0.00 0.00 59.70 56.03 3cod h MET 145 Cb 0.86 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.76 3cod h MET 145 CO 0.08 1.00 -0.10 -0.07 0.14 0.00 0.00 176.91 177.96 3cod h LEU 146 N 1.05 0.22 -0.08 3.39 3.38 -1.03 0.43 115.31 122.67 3cod h LEU 146 Ca 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3cod h LEU 146 Cb 0.40 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3cod h LEU 146 CO 0.01 0.35 -0.01 0.22 0.09 0.00 0.00 178.44 179.10 3cod h TYR 147 N 0.23 0.15 -0.16 1.13 3.20 -1.02 0.39 116.97 120.90 3cod h TYR 147 Ca 0.05 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3cod h TYR 147 Cb 0.32 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3cod h TYR 147 CO 0.00 0.43 -0.07 0.82 -1.64 0.00 0.00 178.16 177.71 3cod h ILE 148 N -0.17 0.76 -0.60 1.81 2.04 -0.73 -0.59 117.51 120.03 3cod h ILE 148 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3cod h ILE 148 Cb 0.38 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3cod h ILE 148 CO 0.01 0.00 0.21 -0.07 0.00 0.00 0.00 178.15 178.30 3cod h LEU 149 N -0.06 0.82 -0.19 1.44 3.38 -0.88 -0.34 115.31 119.48 3cod h LEU 149 Ca 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3cod h LEU 149 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3cod h LEU 149 CO -0.19 0.75 0.11 0.22 0.09 0.00 0.00 178.44 179.42 3cod h TYR 150 N 0.87 0.25 -0.75 1.13 3.20 -0.32 0.20 116.97 121.55 3cod h TYR 150 Ca 0.20 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3cod h TYR 150 Cb 0.21 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3cod h TYR 150 CO 0.01 0.22 0.46 0.28 -1.64 0.00 0.00 178.16 177.49 3cod h VAL 151 N 0.21 1.21 -0.47 1.81 2.07 -0.69 0.19 116.25 120.58 3cod h VAL 151 Ca 0.07 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 3cod h VAL 151 Cb 0.05 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 3cod h VAL 151 CO -0.01 0.22 -0.03 -0.07 0.02 0.00 0.00 177.57 177.70 3cod h LEU 152 N 1.03 0.77 0.19 2.57 4.07 -0.72 0.24 115.31 123.45 3cod h LEU 152 Ca 0.27 -0.20 -0.33 0.00 0.08 0.00 0.00 57.88 57.70 3cod h LEU 152 Cb -0.05 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 41.50 3cod h LEU 152 CO -0.05 0.85 -1.62 0.15 -1.08 0.00 0.00 178.44 176.69 3cod h PHE 153 N 0.74 0.72 0.04 1.13 3.04 -0.62 -3.14 116.94 118.84 3cod h PHE 153 Ca 0.14 -0.52 -0.34 0.00 3.98 0.00 0.00 57.97 61.22 3cod h PHE 153 Cb 0.49 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.93 3cod h PHE 153 CO 0.03 1.63 -1.93 1.19 -2.02 0.00 0.00 178.31 177.20 3cod n PHE 154 N -3.69 0.76 0.00 0.41 3.72 0.65 -4.14 117.46 115.18 3cod n PHE 154 Ca -0.23 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3cod n PHE 154 Cb 1.04 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 3cod n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cod n GLY 155 N 1.73 -1.14 0.37 1.37 0.00 0.70 -3.75 105.19 104.47 3cod n GLY 155 Ca -0.38 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3cod n GLY 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3cod h PHE 156 N 0.00 -1.07 -1.14 1.61 -1.00 -1.25 -1.68 116.94 112.41 3cod h PHE 156 Ca 0.00 0.04 0.32 0.00 2.81 0.00 0.00 57.97 61.15 3cod h PHE 156 Cb 0.00 0.49 -0.10 0.00 3.61 0.00 0.00 35.95 39.95 3cod h PHE 156 CO 0.07 -0.45 0.74 1.15 -1.61 0.00 0.00 178.31 178.22 3cod h THR 157 N -0.45 0.40 -0.33 -1.55 2.02 -1.70 0.25 112.91 111.55 3cod h THR 157 Ca 0.09 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3cod h THR 157 Cb 0.60 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3cod h THR 157 CO -0.39 0.05 -0.17 -1.28 0.37 0.00 0.00 175.52 174.10 3cod h SER 158 N 0.27 0.72 1.77 4.18 0.87 -1.40 -3.05 113.55 116.91 3cod h SER 158 Ca 0.66 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3cod h SER 158 Cb 1.89 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 3cod h SER 158 CO -0.30 0.98 0.00 0.50 -0.53 0.00 0.00 176.83 177.47 3cod h LYS 159 N 0.47 0.00 0.00 2.24 3.64 -0.38 -2.68 116.57 119.86 3cod h LYS 159 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3cod h LYS 159 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3cod h LYS 159 CO 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 3cod n ALA 160 N -2.09 1.95 1.20 5.00 0.00 0.42 -1.98 120.51 125.00 3cod n ALA 160 Ca 0.03 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.53 3cod n ALA 160 Cb 0.48 -1.30 0.56 0.00 0.00 0.00 0.00 19.45 19.18 3cod n ALA 160 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3cod n GLU 161 N -1.35 0.31 0.00 0.00 -0.58 -1.01 -2.74 120.64 115.27 3cod n GLU 161 Ca 0.07 -0.09 0.12 0.00 -0.42 0.00 0.00 57.16 56.84 3cod n GLU 161 Cb 0.17 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.68 3cod n GLU 161 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3cod n SER 162 N -1.26 2.11 -4.92 1.62 3.41 -0.84 -4.91 113.62 108.83 3cod n SER 162 Ca 0.10 -1.56 -0.21 0.00 -0.26 0.00 0.00 58.87 56.94 3cod n SER 162 Cb 0.30 0.24 0.05 0.00 -0.26 0.00 0.00 64.21 64.55 3cod n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3cod s MET 163 N -2.30 2.34 0.54 4.33 -1.94 -1.11 -5.08 119.30 116.08 3cod s MET 163 Ca 0.24 -1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 52.93 3cod s MET 163 Cb 0.19 -2.53 -0.06 0.00 2.01 0.00 0.00 34.83 34.44 3cod s MET 163 CO 0.46 -0.84 1.04 1.03 -0.01 0.00 0.00 175.02 176.70 3cod s ARG 164 N -4.76 3.60 0.36 2.03 1.81 -1.26 -4.75 118.95 115.99 3cod s ARG 164 Ca 0.60 1.24 0.14 0.00 -1.72 0.00 0.00 55.73 55.99 3cod s ARG 164 Cb -0.08 -2.07 1.00 0.00 -0.45 0.00 0.00 34.95 33.35 3cod s ARG 164 CO 0.39 -0.58 1.75 -1.00 -0.68 0.00 0.00 175.30 175.18 3cod h PRO 165 N 0.98 0.47 -0.75 3.54 0.13 -1.97 0.27 132.00 134.67 3cod h PRO 165 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3cod h PRO 165 Cb 1.22 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 3cod h PRO 165 CO 0.59 0.31 0.48 1.49 -0.23 0.00 0.00 178.00 180.63 3cod h GLU 166 N 0.48 1.00 -0.13 0.86 4.57 -1.98 0.61 114.58 120.00 3cod h GLU 166 Ca 0.62 -0.07 -0.23 0.00 -1.18 0.00 0.00 59.36 58.50 3cod h GLU 166 Cb 1.38 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 29.76 3cod h GLU 166 CO -0.38 0.69 -0.81 0.28 -1.18 0.00 0.00 179.01 177.60 3cod h VAL 167 N 1.02 1.28 -0.60 0.32 2.07 -0.97 -1.98 116.25 117.39 3cod h VAL 167 Ca 0.27 -2.01 -0.08 0.00 0.82 0.00 0.00 66.70 65.70 3cod h VAL 167 Cb -0.08 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3cod h VAL 167 CO -0.06 0.63 0.07 0.00 0.02 0.00 0.00 177.57 178.23 3cod h ALA 168 N 0.52 0.80 -0.00 1.67 0.00 -0.43 -1.61 119.26 120.20 3cod h ALA 168 Ca -0.07 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3cod h ALA 168 Cb 1.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3cod h ALA 168 CO 0.17 0.58 -0.54 0.66 0.00 0.00 0.00 179.25 180.12 3cod h SER 169 N 0.91 0.01 0.09 0.00 4.64 0.20 -1.69 113.55 117.70 3cod h SER 169 Ca 0.18 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.28 3cod h SER 169 Cb 0.47 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3cod h SER 169 CO 0.02 0.54 -0.81 0.74 -0.87 0.00 0.00 176.83 176.45 3cod h THR 170 N 0.01 1.33 -0.45 2.95 2.02 -1.08 -3.13 112.91 114.55 3cod h THR 170 Ca -0.01 -2.13 -0.09 0.00 0.77 0.00 0.00 66.41 64.95 3cod h THR 170 Cb 0.95 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 3cod h THR 170 CO 0.07 0.65 -0.08 0.15 0.37 0.00 0.00 175.52 176.68 3cod h PHE 171 N 0.39 0.95 -0.56 3.16 3.57 -1.15 -2.43 116.94 120.86 3cod h PHE 171 Ca -0.06 -0.19 0.08 0.00 3.53 0.00 0.00 57.97 61.33 3cod h PHE 171 Cb 1.42 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 3cod h PHE 171 CO 0.07 0.94 0.20 1.57 -2.23 0.00 0.00 178.31 178.86 3cod h LYS 172 N 0.69 0.37 0.07 1.11 2.10 -1.34 0.73 116.57 120.30 3cod h LYS 172 Ca 0.12 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.74 3cod h LYS 172 Cb 0.61 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 3cod h LYS 172 CO 0.04 0.25 -0.03 0.28 -2.00 0.00 0.00 179.45 177.98 3cod h VAL 173 N 0.38 1.04 -0.82 0.07 2.07 -1.48 0.12 116.25 117.63 3cod h VAL 173 Ca 0.28 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3cod h VAL 173 Cb 0.32 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3cod h VAL 173 CO -0.28 0.09 0.36 -0.07 0.02 0.00 0.00 177.57 177.69 3cod h LEU 174 N -0.26 1.10 -0.02 2.57 3.38 -0.97 -0.01 115.31 121.11 3cod h LEU 174 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3cod h LEU 174 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3cod h LEU 174 CO 0.02 0.95 0.01 -0.09 0.09 0.00 0.00 178.44 179.42 3cod h ARG 175 N 1.18 0.03 0.09 1.13 2.43 0.65 -0.70 114.38 119.18 3cod h ARG 175 Ca 0.28 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3cod h ARG 175 Cb 0.17 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3cod h ARG 175 CO -0.03 0.04 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.50 3cod h ASN 176 N 0.01 -0.16 -0.65 -3.80 -0.26 -0.42 0.65 115.58 110.94 3cod h ASN 176 Ca 0.01 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.81 3cod h ASN 176 Cb 0.02 0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.29 3cod h ASN 176 CO -0.00 -0.10 0.43 0.58 -1.06 0.00 0.00 177.43 177.28 3cod h VAL 177 N -0.16 1.06 -0.08 2.81 2.07 -0.92 -1.65 116.25 119.38 3cod h VAL 177 Ca -0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3cod h VAL 177 Cb 0.14 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3cod h VAL 177 CO 0.00 0.13 -0.06 0.74 0.02 0.00 0.00 177.57 178.40 3cod h THR 178 N 0.73 1.35 -0.54 2.57 2.02 -0.57 -1.96 112.91 116.50 3cod h THR 178 Ca 0.27 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.30 3cod h THR 178 Cb 0.15 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3cod h THR 178 CO -0.08 0.32 0.35 0.58 0.37 0.00 0.00 175.52 177.06 3cod h VAL 179 N -0.23 1.10 -0.08 3.16 2.07 -0.46 0.66 116.25 122.48 3cod h VAL 179 Ca 0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3cod h VAL 179 Cb 0.55 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3cod h VAL 179 CO 0.02 0.13 -0.00 0.58 0.02 0.00 0.00 177.57 178.31 3cod h VAL 180 N 0.70 1.26 -0.01 2.57 2.07 -1.37 -2.46 116.25 119.00 3cod h VAL 180 Ca 0.21 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3cod h VAL 180 Cb -0.04 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3cod h VAL 180 CO -0.07 0.23 -0.01 -0.07 0.02 0.00 0.00 177.57 177.67 3cod h LEU 181 N -0.16 0.03 -1.36 2.57 3.38 -1.26 -3.18 115.31 115.34 3cod h LEU 181 Ca 0.02 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.61 3cod h LEU 181 Cb 0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3cod h LEU 181 CO 0.00 0.41 0.44 -0.50 0.09 0.00 0.00 178.44 178.89 3cod h TRP 182 N -0.35 0.82 0.00 1.13 4.06 -0.96 -1.83 115.95 118.81 3cod h TRP 182 Ca 0.00 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 3cod h TRP 182 Cb 0.40 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 3cod h TRP 182 CO 0.06 0.51 -0.12 0.77 -3.56 0.00 0.00 178.44 176.10 3cod h SER 183 N 0.88 0.00 0.77 -3.49 0.02 -1.46 -2.90 113.55 107.37 3cod h SER 183 Ca 0.24 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.00 3cod h SER 183 Cb -0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3cod h SER 183 CO -0.06 0.12 -0.89 0.00 -1.14 0.00 0.00 176.83 174.87 3cod h ALA 184 N 1.88 0.53 -0.36 3.77 0.00 -1.31 -3.36 119.26 120.41 3cod h ALA 184 Ca -0.00 -0.77 0.06 0.00 0.00 0.00 0.00 54.91 54.20 3cod h ALA 184 Cb 0.31 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3cod h ALA 184 CO 0.02 1.03 0.04 1.88 0.00 0.00 0.00 179.25 182.21 3cod h TYR 185 N 0.04 0.06 -0.25 0.00 -1.99 -1.52 -2.03 116.97 111.27 3cod h TYR 185 Ca -0.03 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3cod h TYR 185 Cb 1.55 0.03 -0.01 0.00 2.00 0.00 0.00 36.73 40.29 3cod h TYR 185 CO 0.01 -0.02 0.11 -1.00 -0.00 0.00 0.00 178.16 177.26 3cod h PRO 186 N 0.15 0.35 -0.30 4.88 0.13 -1.73 -1.65 132.00 133.83 3cod h PRO 186 Ca 0.17 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.13 3cod h PRO 186 Cb 0.22 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 3cod h PRO 186 CO -0.26 0.29 -0.36 0.28 -0.23 0.00 0.00 178.00 177.72 3cod h VAL 187 N 0.35 1.29 -0.69 1.56 2.07 -1.62 -1.14 116.25 118.08 3cod h VAL 187 Ca 0.09 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 3cod h VAL 187 Cb 0.07 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3cod h VAL 187 CO -0.01 0.50 0.26 0.58 0.02 0.00 0.00 177.57 178.92 3cod h VAL 188 N 0.52 1.25 -0.17 2.57 2.07 -1.04 -1.88 116.25 119.56 3cod h VAL 188 Ca 0.04 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3cod h VAL 188 Cb 0.94 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3cod h VAL 188 CO 0.09 0.31 0.07 -0.25 0.02 0.00 0.00 177.57 177.81 3cod h TRP 189 N 0.99 0.26 -0.84 1.57 7.01 -1.23 0.99 115.95 124.71 3cod h TRP 189 Ca 0.23 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.23 3cod h TRP 189 Cb 0.23 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 3cod h TRP 189 CO 0.02 0.32 0.55 1.25 -2.79 0.00 0.00 178.44 177.79 3cod h LEU 190 N 0.13 0.93 -1.28 0.65 5.85 -0.95 -2.06 115.31 118.58 3cod h LEU 190 Ca 0.06 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3cod h LEU 190 Cb 0.17 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3cod h LEU 190 CO -0.00 0.66 -0.20 2.30 -0.34 0.00 0.00 178.44 180.85 3cod n ILE 191 N -4.53 0.00 -1.08 4.05 -5.35 -0.73 -0.44 119.36 111.28 3cod n ILE 191 Ca 0.09 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3cod n ILE 191 Cb 0.05 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 3cod n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cod n GLY 192 N 1.35 1.21 0.23 3.28 0.00 0.34 -0.51 105.19 111.08 3cod n GLY 192 Ca 0.13 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.35 3cod n GLY 192 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cod h SER 193 N 0.00 0.01 1.65 1.61 0.02 -1.81 0.47 113.55 115.50 3cod h SER 193 Ca 0.00 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3cod h SER 193 Cb 0.00 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3cod h SER 193 CO 0.00 0.17 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.30 3cod h GLU 194 N 0.01 0.00 0.00 3.45 3.07 -1.89 -3.43 114.58 115.79 3cod h GLU 194 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3cod h GLU 194 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 3cod h GLU 194 CO 0.02 0.22 0.00 0.41 -1.40 0.00 0.00 179.01 178.27 3cod n GLY 195 N 1.01 1.39 0.32 -3.84 0.00 -0.80 -4.91 105.19 98.36 3cod n GLY 195 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 3cod n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cod h ALA 196 N 0.11 1.15 -2.82 4.61 0.00 -0.82 -3.46 119.26 118.03 3cod h ALA 196 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3cod h ALA 196 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.81 3cod h ALA 196 CO 0.00 -0.15 -0.42 0.41 0.00 0.00 0.00 179.25 179.09 3cod n GLY 197 N -1.17 -0.23 0.07 0.00 0.00 0.16 -4.93 105.19 99.10 3cod n GLY 197 Ca -0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 3cod n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3cod h ILE 198 N -0.54 1.24 -3.35 -0.61 2.04 -1.37 -3.45 117.51 111.48 3cod h ILE 198 Ca -0.38 -2.03 -0.58 0.00 1.00 0.00 0.00 64.86 62.88 3cod h ILE 198 Cb 1.27 2.44 -0.07 0.00 -0.74 0.00 0.00 36.82 39.72 3cod h ILE 198 CO 0.42 0.42 0.25 -0.69 0.00 0.00 0.00 178.15 178.55 3cod s VAL 199 N -2.14 4.96 0.79 1.67 1.01 0.33 -5.02 120.40 121.99 3cod s VAL 199 Ca -0.18 1.49 -0.14 0.00 0.00 0.00 0.00 61.98 63.15 3cod s VAL 199 Cb -0.01 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.38 3cod s VAL 199 CO 0.53 0.11 1.21 -2.16 0.00 0.00 0.00 175.10 174.79 3cod s PRO 200 N 1.73 1.75 0.24 2.72 0.04 -1.26 -3.92 135.00 136.30 3cod s PRO 200 Ca 0.36 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 3cod s PRO 200 Cb -0.17 -1.79 0.34 0.00 0.04 0.00 0.00 34.50 32.93 3cod s PRO 200 CO 0.14 -2.13 1.83 1.25 0.04 0.00 0.00 177.00 178.13 3cod h LEU 201 N -0.74 0.75 -0.37 -3.56 5.85 -1.97 0.21 115.31 115.48 3cod h LEU 201 Ca -0.47 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.31 3cod h LEU 201 Cb 1.30 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3cod h LEU 201 CO 0.47 0.46 0.19 -0.55 -0.34 0.00 0.00 178.44 178.67 3cod h ASN 202 N 0.88 0.28 -0.34 1.25 -1.07 -1.91 0.45 115.58 115.10 3cod h ASN 202 Ca 0.37 0.02 -0.14 0.00 0.07 0.00 0.00 56.30 56.62 3cod h ASN 202 Cb 0.24 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.44 3cod h ASN 202 CO -0.20 0.20 -0.32 0.40 0.07 0.00 0.00 177.43 177.59 3cod h ILE 203 N 0.38 1.29 -0.90 6.14 2.04 -1.83 -2.49 117.51 122.14 3cod h ILE 203 Ca 0.15 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 64.58 3cod h ILE 203 Cb 0.06 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 3cod h ILE 203 CO -0.10 0.49 0.57 -0.08 0.00 0.00 0.00 178.15 179.02 3cod h GLU 204 N 0.60 1.03 -0.47 2.37 4.81 -0.01 -0.09 114.58 122.81 3cod h GLU 204 Ca 0.06 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3cod h GLU 204 Cb 0.90 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3cod h GLU 204 CO 0.08 0.68 -0.01 1.15 -0.73 0.00 0.00 179.01 180.18 3cod h THR 205 N 1.06 1.24 -0.54 0.32 2.02 -0.04 -2.01 112.91 114.97 3cod h THR 205 Ca 0.38 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 3cod h THR 205 Cb 0.12 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3cod h THR 205 CO -0.16 0.36 0.26 0.25 0.37 0.00 0.00 175.52 176.60 3cod h LEU 206 N 0.74 0.70 -0.57 2.58 5.85 -0.62 -1.70 115.31 122.30 3cod h LEU 206 Ca 0.14 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 3cod h LEU 206 Cb 0.47 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3cod h LEU 206 CO 0.02 0.64 0.09 -0.07 -0.34 0.00 0.00 178.44 178.77 3cod h LEU 207 N 0.72 0.91 -0.82 2.25 3.38 -0.80 -2.65 115.31 118.30 3cod h LEU 207 Ca 0.18 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3cod h LEU 207 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3cod h LEU 207 CO -0.02 0.94 -0.31 -0.26 0.09 0.00 0.00 178.44 178.87 3cod h PHE 208 N 0.84 0.59 -0.40 1.13 0.04 -1.22 -2.02 116.94 115.91 3cod h PHE 208 Ca 0.17 -0.14 -0.14 0.00 2.80 0.00 0.00 57.97 60.66 3cod h PHE 208 Cb 0.42 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 3cod h PHE 208 CO 0.03 0.77 -0.30 0.00 -0.60 0.00 0.00 178.31 178.21 3cod h MET 209 N 0.44 0.87 -0.65 1.51 -0.00 -1.23 0.28 114.93 116.14 3cod h MET 209 Ca 0.05 -0.41 -0.08 0.00 -0.00 0.00 0.00 59.70 59.27 3cod h MET 209 Cb 0.77 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.33 3cod h MET 209 CO 0.06 1.05 0.10 0.28 -0.00 0.00 0.00 176.91 178.40 3cod h VAL 210 N 0.73 1.26 -0.10 -0.10 2.07 -1.33 0.44 116.25 119.22 3cod h VAL 210 Ca 0.08 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 3cod h VAL 210 Cb 0.86 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3cod h VAL 210 CO 0.08 0.39 -0.33 -0.07 0.02 0.00 0.00 177.57 177.65 3cod h LEU 211 N 1.01 0.46 0.15 2.57 3.38 -1.15 -2.29 115.31 119.45 3cod h LEU 211 Ca 0.20 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3cod h LEU 211 Cb 0.44 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3cod h LEU 211 CO 0.01 1.00 -0.07 0.44 0.09 0.00 0.00 178.44 179.91 3cod h ASP 212 N -0.05 -0.18 -0.72 -0.43 3.32 -0.35 0.50 116.42 118.52 3cod h ASP 212 Ca -0.01 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3cod h ASP 212 Cb 0.96 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 3cod h ASP 212 CO 0.07 -0.04 0.47 0.58 -1.72 0.00 0.00 179.24 178.60 3cod h VAL 213 N -0.31 1.15 -0.41 -1.35 2.07 -1.00 -0.45 116.25 115.95 3cod h VAL 213 Ca -0.02 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 3cod h VAL 213 Cb 0.24 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3cod h VAL 213 CO 0.03 0.17 -0.24 0.28 0.02 0.00 0.00 177.57 177.84 3cod h SER 214 N 0.94 0.85 1.35 0.57 0.02 -1.31 -0.34 113.55 115.63 3cod h SER 214 Ca 0.27 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3cod h SER 214 Cb -0.06 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.24 3cod h SER 214 CO -0.08 1.05 0.00 0.00 -1.14 0.00 0.00 176.83 176.66 3cod n ALA 215 N -2.51 2.17 -0.01 3.77 0.00 0.16 -1.96 120.51 122.13 3cod n ALA 215 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3cod n ALA 215 Cb 0.45 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 3cod n ALA 215 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cod n LYS 216 N -2.28 0.11 -0.09 0.00 5.02 -0.22 -4.26 118.16 116.45 3cod n LYS 216 Ca 0.05 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 3cod n LYS 216 Cb 0.40 -0.56 -0.02 0.00 -0.02 0.00 0.00 35.03 34.83 3cod n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3cod h VAL 217 N -0.21 1.27 -0.41 -0.18 2.07 -1.29 0.23 116.25 117.74 3cod h VAL 217 Ca 0.00 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.78 3cod h VAL 217 Cb 0.21 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3cod h VAL 217 CO 0.00 0.54 -0.12 1.23 0.02 0.00 0.00 177.57 179.25 3cod h GLY 218 N 0.75 0.86 0.97 2.17 0.00 -1.22 0.87 103.07 107.47 3cod h GLY 218 Ca 0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 3cod h GLY 218 CO 0.11 0.66 0.14 -2.75 0.00 0.00 0.00 176.54 174.70 3cod h PHE 219 N 0.61 0.79 -0.18 5.60 3.04 -1.32 -2.75 116.94 122.74 3cod h PHE 219 Ca 0.10 -0.08 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 3cod h PHE 219 Cb 0.65 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 3cod h PHE 219 CO 0.05 0.70 0.01 0.78 -2.02 0.00 0.00 178.31 177.83 3cod h GLY 220 N 0.65 0.34 0.41 2.40 0.00 -0.35 -2.09 103.07 104.43 3cod h GLY 220 Ca 0.15 -0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.34 3cod h GLY 220 CO -0.00 0.23 0.37 1.41 0.00 0.00 0.00 176.54 178.55 3cod h LEU 221 N 0.08 0.48 -0.09 3.11 3.38 -0.79 0.19 115.31 121.66 3cod h LEU 221 Ca 0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3cod h LEU 221 Cb 0.37 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3cod h LEU 221 CO 0.01 0.26 0.03 0.40 0.09 0.00 0.00 178.44 179.22 3cod h ILE 222 N 0.61 1.17 -0.10 1.22 2.04 -1.40 -2.76 117.51 118.30 3cod h ILE 222 Ca 0.38 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3cod h ILE 222 Cb 0.43 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3cod h ILE 222 CO -0.29 0.15 -0.04 0.25 0.00 0.00 0.00 178.15 178.22 3cod h LEU 223 N -0.04 0.21 -0.77 1.44 5.85 -0.86 -3.24 115.31 117.89 3cod h LEU 223 Ca 0.03 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3cod h LEU 223 Cb 0.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3cod h LEU 223 CO -0.00 0.56 0.00 -0.07 -0.34 0.00 0.00 178.44 178.59 3cod h LEU 224 N -0.15 0.00 -1.58 2.25 3.38 -0.72 -2.74 115.31 115.75 3cod h LEU 224 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3cod h LEU 224 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3cod h LEU 224 CO 0.01 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.43 3cod n ARG 225 N -2.41 2.09 -3.49 1.13 1.85 -1.04 -4.92 116.66 109.87 3cod n ARG 225 Ca 0.02 -1.58 -0.27 0.00 -1.00 0.00 0.00 57.85 55.02 3cod n ARG 225 Cb 0.27 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 3cod n ARG 225 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3cod s SER 226 N -1.99 6.40 0.00 2.89 1.04 -1.04 -4.98 113.70 116.02 3cod s SER 226 Ca 0.32 0.55 0.21 0.00 0.48 0.00 0.00 55.95 57.51 3cod s SER 226 Cb 0.20 -2.07 0.82 0.00 0.10 0.00 0.00 66.02 65.07 3cod s SER 226 CO 0.31 -0.15 1.58 -2.11 0.98 0.00 0.00 173.24 173.85 3cod n ARG 227 N -0.97 1.64 0.07 4.02 0.00 -1.26 -3.87 116.66 116.29 3cod n ARG 227 Ca -0.03 -0.96 0.12 0.00 -0.00 0.00 0.00 57.85 56.97 3cod n ARG 227 Cb 0.54 -1.39 0.46 0.00 -0.00 0.00 0.00 32.46 32.08 3cod n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3cod n ALA 228 N 0.19 2.05 1.57 2.89 0.00 -1.26 -3.08 120.51 122.86 3cod n ALA 228 Ca 0.16 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.73 3cod n ALA 228 Cb 0.30 -1.41 0.68 0.00 0.00 0.00 0.00 19.45 19.02 3cod n ALA 228 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3cod n ILE 229 N -1.96 0.00 -3.23 0.00 -5.35 -1.25 -4.87 119.36 102.70 3cod n ILE 229 Ca 0.05 -0.08 -0.39 0.00 -0.27 0.00 0.00 62.75 62.06 3cod n ILE 229 Cb 0.32 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 38.06 3cod n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3cod s PHE 230 N -2.28 3.81 -1.72 4.28 0.40 -1.18 -1.86 117.98 119.43 3cod s PHE 230 Ca 0.35 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.99 3cod s PHE 230 Cb 0.21 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 41.20 3cod s PHE 230 CO 0.42 0.55 0.43 0.41 0.70 0.00 0.00 175.22 177.74