#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3har s ARG 7 N 0.00 4.54 0.55 1.61 0.52 -1.26 -4.95 118.95 119.96 3har s ARG 7 Ca 0.00 1.48 0.29 0.00 -0.52 0.00 0.00 55.73 56.98 3har s ARG 7 Cb 0.00 -2.88 1.58 0.00 0.52 0.00 0.00 34.95 34.17 3har s ARG 7 CO 0.00 0.20 2.13 -1.00 0.02 0.00 0.00 175.30 176.65 3har h PRO 8 N 3.27 0.00 0.00 3.54 0.13 -2.01 -0.48 132.00 136.45 3har h PRO 8 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3har h PRO 8 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3har h PRO 8 CO 0.65 0.08 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 3har n GLU 9 N -3.66 0.14 -0.12 0.86 0.00 -1.26 -3.80 120.64 112.80 3har n GLU 9 Ca -0.02 0.18 0.12 0.00 0.00 0.00 0.00 57.16 57.43 3har n GLU 9 Cb 0.19 -1.50 0.47 0.00 0.00 0.00 0.00 31.44 30.61 3har n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 3har h TRP 10 N 0.00 0.51 -0.48 -1.84 5.08 -1.46 -1.64 115.95 116.12 3har h TRP 10 Ca 0.00 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.96 3har h TRP 10 Cb 0.19 -0.16 -0.02 0.00 -3.00 0.00 0.00 29.16 26.16 3har h TRP 10 CO 0.00 0.24 0.20 0.97 -1.28 0.00 0.00 178.44 178.56 3har h ILE 11 N 0.48 1.18 0.02 0.12 6.09 -1.82 0.17 117.51 123.74 3har h ILE 11 Ca 0.30 -0.54 -0.20 0.00 -1.37 0.00 0.00 64.86 63.05 3har h ILE 11 Cb 0.55 0.60 -0.02 0.00 0.47 0.00 0.00 36.82 38.42 3har h ILE 11 CO -0.09 0.21 -0.94 -0.50 -3.07 0.00 0.00 178.15 173.76 3har h TRP 12 N 0.67 0.14 -0.48 2.19 4.06 -1.59 -1.63 115.95 119.31 3har h TRP 12 Ca 0.17 -0.09 -0.09 0.00 2.06 0.00 0.00 58.89 60.94 3har h TRP 12 Cb 0.13 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.26 3har h TRP 12 CO 0.01 0.97 -0.07 -0.07 -3.56 0.00 0.00 178.44 175.72 3har h LEU 13 N 0.04 0.83 -0.15 -4.49 3.38 -1.05 -0.01 115.31 113.86 3har h LEU 13 Ca -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3har h LEU 13 Cb 1.63 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 3har h LEU 13 CO 0.13 0.94 0.01 0.00 0.09 0.00 0.00 178.44 179.62 3har h ALA 14 N 1.14 0.20 -0.47 1.53 0.00 -0.60 -0.49 119.26 120.58 3har h ALA 14 Ca 0.13 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3har h ALA 14 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3har h ALA 14 CO 0.03 -0.12 -0.11 -0.07 0.00 0.00 0.00 179.25 178.98 3har h LEU 15 N 0.02 0.85 -0.46 0.00 3.38 -1.24 -1.34 115.31 116.52 3har h LEU 15 Ca 0.04 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3har h LEU 15 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3har h LEU 15 CO 0.00 0.98 0.30 1.23 0.09 0.00 0.00 178.44 181.04 3har h GLY 16 N 0.97 0.65 0.84 0.83 0.00 -0.94 -0.19 103.07 105.23 3har h GLY 16 Ca 0.13 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.25 3har h GLY 16 CO 0.04 0.22 0.12 -0.84 0.00 0.00 0.00 176.54 176.08 3har h THR 17 N 0.60 0.97 -0.27 4.70 2.02 -0.73 -0.71 112.91 119.49 3har h THR 17 Ca 0.17 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.27 3har h THR 17 Cb -0.05 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3har h THR 17 CO -0.05 0.05 0.17 0.00 0.37 0.00 0.00 175.52 176.06 3har h ALA 18 N 1.15 0.34 -0.27 6.16 0.00 -0.93 0.23 119.26 125.95 3har h ALA 18 Ca 0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3har h ALA 18 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3har h ALA 18 CO -0.09 -0.20 -0.50 -0.07 0.00 0.00 0.00 179.25 178.39 3har h LEU 19 N 0.35 0.81 -0.54 0.00 3.38 -0.82 -0.21 115.31 118.29 3har h LEU 19 Ca 0.10 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 3har h LEU 19 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3har h LEU 19 CO -0.03 1.16 -0.34 0.24 0.09 0.00 0.00 178.44 179.57 3har h MET 20 N 0.58 0.82 -0.14 1.13 2.86 -1.05 -0.96 114.93 118.17 3har h MET 20 Ca 0.03 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 3har h MET 20 Cb 1.07 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3har h MET 20 CO 0.10 1.03 0.05 0.78 1.06 0.00 0.00 176.91 179.93 3har h GLY 21 N 0.90 0.23 1.03 8.32 0.00 -0.69 -1.07 103.07 111.78 3har h GLY 21 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3har h GLY 21 CO 0.08 0.12 0.11 1.41 0.00 0.00 0.00 176.54 178.26 3har h LEU 22 N 0.05 0.93 -0.47 3.11 3.38 -1.02 -1.38 115.31 119.90 3har h LEU 22 Ca 0.04 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3har h LEU 22 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3har h LEU 22 CO -0.00 0.94 0.29 1.23 0.09 0.00 0.00 178.44 180.99 3har h GLY 23 N 0.87 0.67 0.81 0.83 0.00 -1.06 -1.53 103.07 103.66 3har h GLY 23 Ca 0.18 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.31 3har h GLY 23 CO 0.01 0.20 0.07 -0.84 0.00 0.00 0.00 176.54 175.98 3har h THR 24 N 0.59 0.94 -0.45 4.70 2.02 -0.89 -0.66 112.91 119.15 3har h THR 24 Ca 0.18 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 3har h THR 24 Cb -0.01 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3har h THR 24 CO -0.07 0.03 0.26 0.25 0.37 0.00 0.00 175.52 176.36 3har h LEU 25 N 0.17 0.55 -0.35 2.58 6.46 -1.05 -0.25 115.31 123.42 3har h LEU 25 Ca 0.09 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 3har h LEU 25 Cb 0.07 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 3har h LEU 25 CO -0.10 0.46 0.10 0.22 -0.62 0.00 0.00 178.44 178.50 3har h TYR 26 N 0.60 0.57 -0.42 1.25 3.20 -1.00 -0.95 116.97 120.22 3har h TYR 26 Ca 0.16 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3har h TYR 26 Cb 0.02 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3har h TYR 26 CO -0.03 0.56 0.03 0.74 -1.64 0.00 0.00 178.16 177.83 3har h PHE 27 N 0.41 0.68 -0.27 -3.82 0.04 -0.87 -1.74 116.94 111.36 3har h PHE 27 Ca 0.11 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 3har h PHE 27 Cb 0.27 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3har h PHE 27 CO 0.01 0.63 -0.06 1.25 -0.60 0.00 0.00 178.31 179.54 3har h LEU 28 N 0.62 0.52 -0.21 1.54 5.85 -0.73 0.11 115.31 123.01 3har h LEU 28 Ca 0.13 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3har h LEU 28 Cb 0.35 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3har h LEU 28 CO 0.01 0.75 0.08 0.58 -0.34 0.00 0.00 178.44 179.53 3har h VAL 29 N 0.27 0.96 -0.52 1.05 2.07 -0.95 -0.75 116.25 118.39 3har h VAL 29 Ca 0.07 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3har h VAL 29 Cb 0.52 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3har h VAL 29 CO 0.02 0.03 0.02 0.11 0.02 0.00 0.00 177.57 177.78 3har h LYS 30 N 0.19 0.90 -0.16 1.57 1.79 -1.21 -3.05 116.57 116.60 3har h LYS 30 Ca 0.09 -0.27 -0.13 0.00 -2.18 0.00 0.00 60.65 58.16 3har h LYS 30 Cb 0.05 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 3har h LYS 30 CO -0.08 0.91 -0.46 0.78 -1.08 0.00 0.00 179.45 179.52 3har h GLY 31 N 0.77 0.43 2.00 3.86 0.00 -0.58 -2.60 103.07 106.96 3har h GLY 31 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3har h GLY 31 CO 0.02 0.40 0.00 -0.33 0.00 0.00 0.00 176.54 176.64 3har h MET 32 N 0.32 0.00 0.00 4.80 2.86 -1.10 -3.02 114.93 118.79 3har h MET 32 Ca 0.02 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3har h MET 32 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 3har h MET 32 CO 0.08 0.00 -0.51 0.78 1.06 0.00 0.00 176.91 178.32 3har h GLY 33 N 2.97 0.00 -3.19 8.32 0.00 -1.36 -3.46 103.07 106.35 3har h GLY 33 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3har h GLY 33 CO 0.00 0.00 0.37 0.54 0.00 0.00 0.00 176.54 177.45 3har s VAL 34 N -3.02 4.04 -0.02 4.60 0.11 -1.13 -4.98 120.40 120.00 3har s VAL 34 Ca 0.04 1.77 0.09 0.00 -2.93 0.00 0.00 61.98 60.95 3har s VAL 34 Cb 0.07 -4.02 -0.14 0.00 -1.53 0.00 0.00 36.38 30.77 3har s VAL 34 CO 0.74 0.21 0.19 -1.54 -3.33 0.00 0.00 175.10 171.37 3har n SER 35 N 0.70 2.96 -4.66 3.54 3.41 -1.26 -4.90 113.62 113.41 3har n SER 35 Ca 0.01 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.13 3har n SER 35 Cb 0.49 1.38 -0.05 0.00 -0.26 0.00 0.00 64.21 65.77 3har n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3har n ASP 36 N -1.83 3.22 -0.18 4.04 2.03 -1.26 -4.89 116.55 117.67 3har n ASP 36 Ca -0.02 0.90 -0.01 0.00 0.52 0.00 0.00 54.79 56.17 3har n ASP 36 Cb 0.26 -1.35 0.09 0.00 -0.72 0.00 0.00 41.12 39.40 3har n ASP 36 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3har h PRO 37 N 9.59 0.33 -0.04 -0.67 0.11 -1.97 -0.11 132.00 139.25 3har h PRO 37 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3har h PRO 37 Cb 1.28 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3har h PRO 37 CO 0.96 0.22 0.02 -0.44 -0.21 0.00 0.00 178.00 178.55 3har h ASP 38 N 0.34 0.05 -0.89 -2.05 3.32 -1.90 -2.58 116.42 112.71 3har h ASP 38 Ca 0.28 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.30 3har h ASP 38 Cb 0.35 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 3har h ASP 38 CO -0.31 0.11 0.57 0.00 -1.72 0.00 0.00 179.24 177.89 3har h ALA 39 N 0.94 1.20 -0.82 3.45 0.00 -1.12 -2.24 119.26 120.66 3har h ALA 39 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3har h ALA 39 Cb 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3har h ALA 39 CO -0.00 0.38 0.54 0.87 0.00 0.00 0.00 179.25 181.04 3har h LYS 40 N 1.07 0.88 -0.24 0.00 1.57 -0.75 -0.19 116.57 118.92 3har h LYS 40 Ca 0.37 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 3har h LYS 40 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3har h LYS 40 CO -0.14 0.58 0.11 0.87 -0.57 0.00 0.00 179.45 180.30 3har h LYS 41 N 0.91 0.36 -0.77 3.15 1.79 -1.02 0.94 116.57 121.93 3har h LYS 41 Ca 0.35 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.73 3har h LYS 41 Cb 0.22 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 3har h LYS 41 CO -0.13 0.38 0.33 0.74 -1.08 0.00 0.00 179.45 179.69 3har h PHE 42 N 0.25 1.14 -0.68 -1.35 0.04 -1.21 -2.09 116.94 113.04 3har h PHE 42 Ca 0.08 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 3har h PHE 42 Cb 0.14 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 3har h PHE 42 CO -0.02 0.85 0.29 1.88 -0.60 0.00 0.00 178.31 180.71 3har h TYR 43 N 1.11 1.02 0.04 -0.55 0.05 -0.66 -1.47 116.97 116.50 3har h TYR 43 Ca 0.26 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 3har h TYR 43 Cb 0.17 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.61 3har h TYR 43 CO 0.02 0.78 -0.02 0.00 -1.05 0.00 0.00 178.16 177.89 3har h ALA 44 N 1.13 -0.05 -0.45 3.88 0.00 -0.49 -0.33 119.26 122.96 3har h ALA 44 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3har h ALA 44 Cb 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3har h ALA 44 CO -0.02 -0.51 0.26 0.82 0.00 0.00 0.00 179.25 179.79 3har h ILE 45 N -0.08 1.15 0.00 0.00 2.04 -1.34 -2.52 117.51 116.76 3har h ILE 45 Ca -0.00 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 3har h ILE 45 Cb 0.07 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3har h ILE 45 CO 0.01 0.16 -0.57 0.74 0.00 0.00 0.00 178.15 178.49 3har h THR 46 N 0.59 1.06 0.03 -0.27 2.02 -1.15 -2.89 112.91 112.30 3har h THR 46 Ca 0.16 -2.24 -0.22 0.00 0.77 0.00 0.00 66.41 64.88 3har h THR 46 Cb 0.03 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 3har h THR 46 CO -0.03 0.55 -0.97 0.74 0.37 0.00 0.00 175.52 176.19 3har h THR 47 N 0.00 1.48 -0.32 3.16 2.02 -0.96 -3.22 112.91 115.08 3har h THR 47 Ca -0.01 -2.70 -0.03 0.00 0.77 0.00 0.00 66.41 64.45 3har h THR 47 Cb 1.30 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 3har h THR 47 CO 0.07 0.79 0.07 -0.07 0.37 0.00 0.00 175.52 176.76 3har h LEU 48 N 0.13 0.42 0.87 2.58 3.38 -1.24 -2.81 115.31 118.64 3har h LEU 48 Ca -0.07 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3har h LEU 48 Cb 1.62 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.27 3har h LEU 48 CO 0.15 0.43 -0.45 0.58 0.09 0.00 0.00 178.44 179.25 3har h VAL 49 N 0.46 0.00 0.00 1.22 2.07 -1.53 -0.76 116.25 117.70 3har h VAL 49 Ca 0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 3har h VAL 49 Cb 0.19 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3har h VAL 49 CO -0.00 0.00 -0.12 1.55 0.02 0.00 0.00 177.57 179.02 3har h PRO 50 N -1.20 0.00 -0.29 1.57 0.13 -1.71 -2.35 132.00 128.15 3har h PRO 50 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3har h PRO 50 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 3har h PRO 50 CO 0.18 0.12 0.18 0.00 -0.23 0.00 0.00 178.00 178.25 3har h ALA 51 N 1.88 0.36 -0.16 -0.56 0.00 -1.20 0.21 119.26 119.78 3har h ALA 51 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3har h ALA 51 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3har h ALA 51 CO 0.02 -0.16 0.03 0.82 0.00 0.00 0.00 179.25 179.96 3har h ILE 52 N 0.38 1.22 -0.79 0.00 2.04 -0.93 -2.41 117.51 117.02 3har h ILE 52 Ca 0.10 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.29 3har h ILE 52 Cb -0.02 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3har h ILE 52 CO -0.02 0.21 0.50 0.00 0.00 0.00 0.00 178.15 178.84 3har h ALA 53 N 0.82 1.06 -0.48 1.87 0.00 -1.30 -1.91 119.26 119.31 3har h ALA 53 Ca 0.05 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3har h ALA 53 Cb 0.30 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3har h ALA 53 CO 0.00 0.28 0.16 0.35 0.00 0.00 0.00 179.25 180.04 3har h PHE 54 N 0.95 0.27 -0.71 0.00 3.57 -0.41 0.21 116.94 120.82 3har h PHE 54 Ca 0.33 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 3har h PHE 54 Cb 0.06 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3har h PHE 54 CO -0.03 0.08 0.31 1.79 -2.23 0.00 0.00 178.31 178.23 3har h THR 55 N 0.32 1.23 0.05 4.41 1.35 -0.88 -0.01 112.91 119.39 3har h THR 55 Ca 0.23 -0.70 -0.25 0.00 -0.55 0.00 0.00 66.41 65.14 3har h THR 55 Cb 0.25 0.35 0.02 0.00 -1.73 0.00 0.00 68.15 67.04 3har h THR 55 CO -0.25 0.29 -1.02 0.24 -0.25 0.00 0.00 175.52 174.53 3har h MET 56 N 1.02 0.60 -1.01 4.72 2.86 -0.75 -1.33 114.93 121.05 3har h MET 56 Ca 0.24 -0.72 0.02 0.00 -2.06 0.00 0.00 59.70 57.19 3har h MET 56 Cb 0.15 0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 3har h MET 56 CO -0.03 1.30 0.66 1.88 1.06 0.00 0.00 176.91 181.79 3har h TYR 57 N 0.22 1.25 -0.23 -0.22 0.05 -0.50 -0.95 116.97 116.58 3har h TYR 57 Ca -0.14 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 3har h TYR 57 Cb 1.70 -0.42 -0.01 0.00 1.01 0.00 0.00 36.73 39.01 3har h TYR 57 CO 0.12 0.75 0.05 1.25 -1.05 0.00 0.00 178.16 179.28 3har h LEU 58 N 1.31 0.36 -0.51 3.88 5.85 -0.95 0.18 115.31 125.44 3har h LEU 58 Ca 0.39 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3har h LEU 58 Cb -0.07 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3har h LEU 58 CO -0.10 0.51 0.25 0.28 -0.34 0.00 0.00 178.44 179.03 3har h SER 59 N 0.20 0.34 -0.63 1.25 0.02 -0.97 -1.59 113.55 112.17 3har h SER 59 Ca 0.07 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3har h SER 59 Cb 0.30 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3har h SER 59 CO 0.00 0.24 0.19 0.24 -1.14 0.00 0.00 176.83 176.36 3har h MET 60 N 0.48 0.99 -0.81 3.45 2.86 -0.99 -0.35 114.93 120.56 3har h MET 60 Ca 0.23 -0.22 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 3har h MET 60 Cb 0.16 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 3har h MET 60 CO -0.17 0.88 0.45 1.25 1.06 0.00 0.00 176.91 180.38 3har h LEU 61 N 0.91 0.63 -0.67 1.22 5.85 -0.47 -0.89 115.31 121.90 3har h LEU 61 Ca 0.20 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3har h LEU 61 Cb 0.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3har h LEU 61 CO -0.00 0.35 0.00 0.18 -0.34 0.00 0.00 178.44 178.62 3har n LEU 62 N -4.77 0.98 0.00 2.25 4.77 -0.64 -4.88 117.00 114.70 3har n LEU 62 Ca 0.14 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3har n LEU 62 Cb 0.30 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3har n LEU 62 CO 0.26 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3har n GLY 63 N 0.87 0.83 4.00 -0.72 0.00 -0.34 -5.06 105.19 104.77 3har n GLY 63 Ca 0.10 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 3har n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3har s TYR 64 N -2.00 2.82 -1.25 1.61 1.51 -0.18 -4.60 117.35 115.26 3har s TYR 64 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3har s TYR 64 Cb 0.00 -2.35 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 3har s TYR 64 CO 0.00 -0.39 0.00 0.41 -1.11 0.00 0.00 175.55 174.46 3har n GLY 65 N -1.83 1.18 3.18 0.71 0.00 -1.26 -3.76 105.19 103.42 3har n GLY 65 Ca 0.07 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 3har n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3har s LEU 66 N -2.78 1.99 0.07 0.99 2.96 -1.26 -0.53 118.68 120.12 3har s LEU 66 Ca 0.00 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3har s LEU 66 Cb 0.00 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 3har s LEU 66 CO 0.00 0.15 -0.05 0.28 -1.32 0.00 0.00 176.35 175.40 3har s THR 67 N 0.32 0.48 -0.20 3.68 -1.32 -0.27 -4.96 115.64 113.37 3har s THR 67 Ca -0.15 -1.77 -0.11 0.00 -1.21 0.00 0.00 61.69 58.44 3har s THR 67 Cb -0.17 -1.47 -0.05 0.00 -1.51 0.00 0.00 72.50 69.31 3har s THR 67 CO 0.07 -0.86 0.19 -0.04 -2.21 0.00 0.00 174.62 171.77 3har s MET 68 N -3.57 4.19 -0.13 7.08 1.00 -1.26 -0.18 119.30 126.43 3har s MET 68 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 55.69 55.66 3har s MET 68 Cb 0.04 -3.45 0.01 0.00 0.00 0.00 0.00 34.83 31.44 3har s MET 68 CO -0.06 0.23 -0.20 0.08 0.00 0.00 0.00 175.02 175.06 3har s VAL 69 N 0.55 1.93 -0.07 -6.03 1.01 0.44 -4.87 120.40 113.36 3har s VAL 69 Ca 0.11 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 3har s VAL 69 Cb -0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3har s VAL 69 CO 0.01 0.53 1.06 -2.16 0.00 0.00 0.00 175.10 174.54 3har s PRO 70 N 0.86 4.42 -0.04 2.72 0.04 -1.26 -0.99 135.00 140.76 3har s PRO 70 Ca -0.07 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 3har s PRO 70 Cb -0.15 -3.52 0.08 0.00 0.04 0.00 0.00 34.50 30.95 3har s PRO 70 CO -0.02 -0.31 0.74 -0.59 0.04 0.00 0.00 177.00 176.86 3har s PHE 71 N 1.87 -0.57 -1.56 0.56 -0.12 -0.62 -4.43 117.98 113.12 3har s PHE 71 Ca 0.51 0.85 0.00 0.00 -0.05 0.00 0.00 56.93 58.25 3har s PHE 71 Cb -0.21 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.63 3har s PHE 71 CO 0.21 -0.59 0.00 0.41 -0.05 0.00 0.00 175.22 175.20 3har n GLY 72 N 0.61 0.94 1.69 1.99 0.00 -1.26 -2.39 105.19 106.77 3har n GLY 72 Ca -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3har n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3har n GLY 73 N -1.03 0.67 3.26 -0.02 0.00 -1.26 -5.03 105.19 101.77 3har n GLY 73 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 3har n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3har s GLU 74 N -0.23 1.14 -0.31 1.61 2.02 -1.00 -5.13 118.70 116.80 3har s GLU 74 Ca 0.00 -1.54 -0.18 0.00 0.02 0.00 0.00 54.97 53.27 3har s GLU 74 Cb 0.00 -0.41 -0.02 0.00 0.10 0.00 0.00 34.13 33.81 3har s GLU 74 CO 0.00 -0.08 0.52 -1.14 0.02 0.00 0.00 175.26 174.58 3har s GLN 75 N -3.87 3.85 -0.14 1.61 2.00 -1.26 -1.58 119.66 120.26 3har s GLN 75 Ca 0.23 0.09 -0.01 0.00 -2.00 0.00 0.00 55.36 53.67 3har s GLN 75 Cb 0.05 -3.73 -0.01 0.00 0.80 0.00 0.00 33.01 30.12 3har s GLN 75 CO 0.04 -0.51 -0.11 -0.80 -0.50 0.00 0.00 175.29 173.41 3har s ASN 76 N 1.66 4.10 -0.01 6.67 -0.87 -0.16 -4.90 114.94 121.43 3har s ASN 76 Ca 0.20 -0.32 -0.30 0.00 -1.57 0.00 0.00 52.86 50.87 3har s ASN 76 Cb -0.15 -1.64 -0.04 0.00 -0.02 0.00 0.00 41.25 39.40 3har s ASN 76 CO 0.11 0.15 1.12 -2.16 -2.57 0.00 0.00 177.10 173.75 3har s PRO 77 N 0.46 4.44 -0.11 -0.60 0.04 -1.26 -0.42 135.00 137.54 3har s PRO 77 Ca -0.09 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 3har s PRO 77 Cb -0.16 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.94 3har s PRO 77 CO 0.04 -0.28 -0.08 0.42 0.04 0.00 0.00 177.00 177.14 3har s ILE 78 N 1.54 1.07 -0.88 0.56 -1.09 0.75 -4.86 121.20 118.30 3har s ILE 78 Ca 0.55 -0.33 -0.23 0.00 -2.23 0.00 0.00 60.65 58.41 3har s ILE 78 Cb -0.24 -1.07 0.06 0.00 -1.58 0.00 0.00 42.46 39.62 3har s ILE 78 CO 0.25 0.37 1.28 -0.31 -1.23 0.00 0.00 174.94 175.31 3har s TYR 79 N 1.61 2.58 -0.41 3.97 2.02 -1.26 -1.12 117.35 124.75 3har s TYR 79 Ca 0.04 -0.68 0.25 0.00 -0.37 0.00 0.00 57.07 56.31 3har s TYR 79 Cb -0.13 -4.55 0.62 0.00 -0.40 0.00 0.00 41.96 37.50 3har s TYR 79 CO -0.08 -1.86 1.71 0.11 -1.57 0.00 0.00 175.55 173.86 3har h TRP 80 N 9.67 0.00 -0.00 2.71 5.08 -1.18 -3.24 115.95 128.99 3har h TRP 80 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3har h TRP 80 Cb 1.03 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.19 3har h TRP 80 CO 1.18 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 178.34 3har h ALA 81 N 2.11 1.74 -0.95 0.11 0.00 -1.76 -1.64 119.26 118.87 3har h ALA 81 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3har h ALA 81 Cb 0.84 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3har h ALA 81 CO 0.00 -0.00 0.58 0.00 0.00 0.00 0.00 179.25 179.83 3har h ARG 82 N 0.00 0.89 -0.02 0.00 3.08 -1.85 -1.95 114.38 114.53 3har h ARG 82 Ca 0.00 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3har h ARG 82 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3har h ARG 82 CO -0.00 0.59 -0.55 1.88 -1.07 0.00 0.00 179.97 180.82 3har h TYR 83 N 0.92 0.07 -0.61 3.04 0.05 -1.53 -0.86 116.97 118.05 3har h TYR 83 Ca 0.48 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 59.16 3har h TYR 83 Cb 0.49 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3har h TYR 83 CO -0.02 0.59 0.10 0.00 -1.05 0.00 0.00 178.16 177.79 3har h ALA 84 N 1.40 0.81 0.63 3.88 0.00 -1.41 0.23 119.26 124.80 3har h ALA 84 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3har h ALA 84 Cb 0.98 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.55 3har h ALA 84 CO 0.07 0.56 -0.30 0.22 0.00 0.00 0.00 179.25 179.81 3har h ASP 85 N 0.92 -0.72 0.08 0.00 1.82 -1.13 -3.27 116.42 114.13 3har h ASP 85 Ca 0.19 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.77 3har h ASP 85 Cb 0.42 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 3har h ASP 85 CO 0.01 -0.48 -0.22 -0.50 -1.61 0.00 0.00 179.24 176.44 3har h TRP 86 N -0.89 0.27 -0.91 0.28 6.55 -1.07 -0.79 115.95 119.40 3har h TRP 86 Ca -0.09 -0.04 0.13 0.00 0.95 0.00 0.00 58.89 59.84 3har h TRP 86 Cb 0.66 -0.07 -0.07 0.00 -0.86 0.00 0.00 29.16 28.82 3har h TRP 86 CO -0.02 0.46 0.58 1.25 -1.05 0.00 0.00 178.44 179.66 3har h LEU 87 N 0.23 0.73 0.02 -4.49 5.85 -0.99 -2.04 115.31 114.61 3har h LEU 87 Ca 0.04 0.04 -0.36 0.00 0.84 0.00 0.00 57.88 58.44 3har h LEU 87 Cb 0.52 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3har h LEU 87 CO 0.04 0.38 -2.25 0.49 -0.34 0.00 0.00 178.44 176.76 3har n PHE 88 N -4.57 0.34 0.08 1.25 3.72 -0.92 -4.43 117.46 112.93 3har n PHE 88 Ca 0.17 0.10 -0.14 0.00 -0.05 0.00 0.00 57.45 57.53 3har n PHE 88 Cb 0.41 -1.05 -0.07 0.00 -0.94 0.00 0.00 39.48 37.83 3har n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3har h THR 89 N 0.01 1.42 -0.41 4.37 1.35 -1.09 -3.06 112.91 115.51 3har h THR 89 Ca -0.50 -2.61 -0.03 0.00 -0.55 0.00 0.00 66.41 62.73 3har h THR 89 Cb 2.07 2.57 -0.02 0.00 -1.73 0.00 0.00 68.15 71.05 3har h THR 89 CO 0.01 0.77 0.15 0.71 -0.25 0.00 0.00 175.52 176.91 3har h THR 90 N 0.19 1.20 -0.29 6.82 1.35 -1.61 -1.33 112.91 119.24 3har h THR 90 Ca -0.10 -0.64 -0.04 0.00 -0.55 0.00 0.00 66.41 65.08 3har h THR 90 Cb 1.69 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 3har h THR 90 CO 0.18 0.23 0.01 -0.65 -0.25 0.00 0.00 175.52 175.04 3har h PRO 91 N 0.51 0.43 -0.41 4.72 0.11 -1.77 -1.84 132.00 133.76 3har h PRO 91 Ca 0.13 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 3har h PRO 91 Cb 0.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3har h PRO 91 CO -0.01 0.46 0.13 -0.07 -0.21 0.00 0.00 178.00 178.30 3har h LEU 92 N 0.42 0.59 -0.47 2.35 3.38 -1.34 0.19 115.31 120.44 3har h LEU 92 Ca 0.10 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3har h LEU 92 Cb 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3har h LEU 92 CO 0.01 0.63 0.27 -0.07 0.09 0.00 0.00 178.44 179.37 3har h LEU 93 N 0.51 0.44 -1.05 1.67 3.38 -1.04 -1.42 115.31 117.80 3har h LEU 93 Ca 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3har h LEU 93 Cb 0.25 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3har h LEU 93 CO -0.01 0.31 0.47 -0.07 0.09 0.00 0.00 178.44 179.24 3har h LEU 94 N 0.55 1.01 -0.83 1.67 3.38 -1.08 -2.31 115.31 117.70 3har h LEU 94 Ca 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3har h LEU 94 Cb 0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3har h LEU 94 CO -0.09 0.79 0.43 0.25 0.09 0.00 0.00 178.44 179.92 3har h LEU 95 N 1.14 1.05 -0.36 1.67 5.85 -0.13 -0.01 115.31 124.53 3har h LEU 95 Ca 0.29 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3har h LEU 95 Cb -0.01 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 3har h LEU 95 CO -0.05 0.86 0.02 0.44 -0.34 0.00 0.00 178.44 179.37 3har h ASP 96 N 1.16 -0.11 -0.59 1.25 3.32 -0.75 0.82 116.42 121.52 3har h ASP 96 Ca 0.29 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 3har h ASP 96 Cb 0.06 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3har h ASP 96 CO -0.04 -0.02 0.22 -0.07 -1.72 0.00 0.00 179.24 177.60 3har h LEU 97 N 0.12 0.83 -0.89 1.55 3.38 -0.99 -1.95 115.31 117.36 3har h LEU 97 Ca 0.17 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3har h LEU 97 Cb 0.23 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3har h LEU 97 CO -0.28 0.79 0.29 0.00 0.09 0.00 0.00 178.44 179.34 3har h ALA 98 N 1.07 1.11 -0.20 1.53 0.00 -0.49 -2.45 119.26 119.84 3har h ALA 98 Ca 0.19 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3har h ALA 98 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3har h ALA 98 CO -0.01 0.63 -0.36 -0.07 0.00 0.00 0.00 179.25 179.44 3har h LEU 99 N 1.08 0.45 -1.04 0.00 3.38 -0.64 -1.19 115.31 117.35 3har h LEU 99 Ca 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3har h LEU 99 Cb 0.21 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3har h LEU 99 CO -0.02 0.77 0.33 -0.07 0.09 0.00 0.00 178.44 179.54 3har h LEU 100 N 0.36 0.92 -2.64 1.67 3.38 -0.90 -3.08 115.31 115.02 3har h LEU 100 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3har h LEU 100 Cb 0.81 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3har h LEU 100 CO 0.06 0.78 0.00 1.33 0.09 0.00 0.00 178.44 180.71 3har n VAL 101 N -4.33 0.85 -3.73 1.22 0.24 -1.03 -4.95 118.33 106.60 3har n VAL 101 Ca 0.07 -0.92 -0.23 0.00 -2.04 0.00 0.00 64.34 61.22 3har n VAL 101 Cb 0.14 0.64 0.03 0.00 -1.47 0.00 0.00 33.84 33.18 3har n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3har n ASP 102 N 1.20 -1.79 -4.74 -1.34 2.03 -0.76 -4.49 116.55 106.66 3har n ASP 102 Ca 0.18 -0.81 -0.36 0.00 0.52 0.00 0.00 54.79 54.33 3har n ASP 102 Cb 0.54 -4.04 0.06 0.00 -0.72 0.00 0.00 41.12 36.95 3har n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3har s ALA 103 N -3.61 2.40 0.45 -1.67 0.00 -0.52 -4.97 121.76 113.84 3har s ALA 103 Ca 0.11 1.00 -0.24 0.00 0.00 0.00 0.00 51.96 52.84 3har s ALA 103 Cb -0.06 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 3har s ALA 103 CO 0.81 -1.43 1.21 -0.51 0.00 0.00 0.00 175.76 175.84 3har s ASP 104 N -1.71 6.13 0.23 0.00 1.01 -1.26 -4.90 116.67 116.17 3har s ASP 104 Ca 0.77 2.42 -0.06 0.00 0.71 0.00 0.00 52.55 56.38 3har s ASP 104 Cb -0.31 -2.61 0.40 0.00 1.01 0.00 0.00 42.92 41.40 3har s ASP 104 CO 0.38 -0.96 1.72 -0.61 0.21 0.00 0.00 175.17 175.91 3har h GLN 105 N 2.14 0.37 -0.35 8.23 4.15 -2.00 -1.39 115.11 126.27 3har h GLN 105 Ca -0.49 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 58.86 3har h GLN 105 Cb 1.25 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 3har h GLN 105 CO 0.60 0.24 0.03 0.78 -1.93 0.00 0.00 178.83 178.56 3har h GLY 106 N 0.38 0.56 0.99 2.39 0.00 -2.00 -1.51 103.07 103.89 3har h GLY 106 Ca 0.38 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 3har h GLY 106 CO -0.40 0.29 0.04 -0.84 0.00 0.00 0.00 176.54 175.63 3har h THR 107 N 0.51 1.26 -0.35 4.70 2.02 -1.66 -1.89 112.91 117.50 3har h THR 107 Ca 0.11 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 3har h THR 107 Cb 0.28 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3har h THR 107 CO 0.00 0.35 0.16 0.40 0.37 0.00 0.00 175.52 176.81 3har h ILE 108 N 0.71 1.17 -0.49 3.11 2.04 -0.90 -0.04 117.51 123.10 3har h ILE 108 Ca 0.15 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3har h ILE 108 Cb 0.45 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3har h ILE 108 CO 0.02 0.18 0.30 0.25 0.00 0.00 0.00 178.15 178.89 3har h LEU 109 N 0.42 0.48 -0.52 1.44 5.85 -1.16 0.73 115.31 122.56 3har h LEU 109 Ca 0.12 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3har h LEU 109 Cb 0.13 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3har h LEU 109 CO -0.01 0.34 0.15 0.00 -0.34 0.00 0.00 178.44 178.58 3har h ALA 110 N 1.22 0.68 -0.07 1.25 0.00 -1.13 0.35 119.26 121.56 3har h ALA 110 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3har h ALA 110 Cb 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3har h ALA 110 CO -0.09 0.34 0.03 -0.07 0.00 0.00 0.00 179.25 179.47 3har h LEU 111 N 0.71 0.09 -0.65 0.00 3.38 -0.68 0.05 115.31 118.21 3har h LEU 111 Ca 0.17 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3har h LEU 111 Cb 0.29 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3har h LEU 111 CO -0.00 0.17 0.27 0.58 0.09 0.00 0.00 178.44 179.55 3har h VAL 112 N -0.00 1.23 -0.16 1.22 2.07 -0.78 0.04 116.25 119.87 3har h VAL 112 Ca 0.02 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.88 3har h VAL 112 Cb 0.10 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3har h VAL 112 CO -0.00 0.28 -0.21 1.23 0.02 0.00 0.00 177.57 178.89 3har h GLY 113 N 0.90 -0.16 1.01 2.17 0.00 -0.82 -0.17 103.07 106.01 3har h GLY 113 Ca 0.22 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 3har h GLY 113 CO -0.02 -0.18 0.47 0.00 0.00 0.00 0.00 176.54 176.81 3har h ALA 114 N 0.77 1.04 -0.66 3.60 0.00 -0.70 -1.58 119.26 121.73 3har h ALA 114 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3har h ALA 114 Cb 0.41 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3har h ALA 114 CO -0.30 0.53 0.27 0.22 0.00 0.00 0.00 179.25 179.96 3har h ASP 115 N 1.13 0.90 -0.59 0.00 1.82 -0.73 0.78 116.42 119.73 3har h ASP 115 Ca 0.29 -0.17 0.02 0.00 -0.39 0.00 0.00 57.03 56.78 3har h ASP 115 Cb -0.01 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 39.73 3har h ASP 115 CO -0.05 0.82 0.37 1.23 -1.61 0.00 0.00 179.24 180.00 3har h GLY 116 N 0.92 0.84 1.00 -0.78 0.00 -0.62 -1.08 103.07 103.35 3har h GLY 116 Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3har h GLY 116 CO -0.02 0.25 0.40 -2.22 0.00 0.00 0.00 176.54 174.95 3har h ILE 117 N 0.74 1.19 0.00 2.60 2.04 -0.95 0.13 117.51 123.27 3har h ILE 117 Ca 0.23 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.69 3har h ILE 117 Cb -0.01 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 3har h ILE 117 CO -0.08 0.20 -0.18 -0.03 0.00 0.00 0.00 178.15 178.06 3har h MET 118 N 0.90 -0.28 -0.18 2.37 4.05 -0.26 0.15 114.93 121.67 3har h MET 118 Ca 0.24 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.59 3har h MET 118 Cb -0.02 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3har h MET 118 CO -0.04 -0.19 -0.22 0.82 0.23 0.00 0.00 176.91 177.50 3har h ILE 119 N -0.30 1.34 -0.02 1.77 1.08 -1.01 -1.87 117.51 118.50 3har h ILE 119 Ca 0.05 -1.42 0.01 0.00 -0.39 0.00 0.00 64.86 63.12 3har h ILE 119 Cb 0.36 1.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 3har h ILE 119 CO -0.17 0.43 -0.04 1.23 -0.69 0.00 0.00 178.15 178.91 3har h GLY 120 N 0.12 -0.02 1.66 5.37 0.00 -0.66 -0.68 103.07 108.87 3har h GLY 120 Ca 0.02 0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 3har h GLY 120 CO 0.05 -0.05 -0.22 -0.91 0.00 0.00 0.00 176.54 175.42 3har h THR 121 N -0.06 1.25 -0.48 4.70 1.35 -1.02 -1.32 112.91 117.33 3har h THR 121 Ca 0.02 -1.16 0.02 0.00 -0.55 0.00 0.00 66.41 64.75 3har h THR 121 Cb 0.09 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 67.81 3har h THR 121 CO -0.06 0.36 0.29 1.23 -0.25 0.00 0.00 175.52 177.09 3har h GLY 122 N 0.98 0.67 0.94 5.82 0.00 -1.00 0.01 103.07 110.50 3har h GLY 122 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3har h GLY 122 CO 0.04 0.19 0.15 -2.00 0.00 0.00 0.00 176.54 174.92 3har h LEU 123 N 0.57 0.38 -0.36 3.11 5.85 -0.85 0.71 115.31 124.72 3har h LEU 123 Ca 0.19 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3har h LEU 123 Cb 0.01 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3har h LEU 123 CO -0.08 0.37 0.15 0.58 -0.34 0.00 0.00 178.44 179.12 3har h VAL 124 N 0.35 0.94 -0.44 1.05 2.07 -1.04 -1.69 116.25 117.48 3har h VAL 124 Ca 0.10 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3har h VAL 124 Cb 0.09 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3har h VAL 124 CO -0.01 0.06 0.08 1.23 0.02 0.00 0.00 177.57 178.94 3har h GLY 125 N 0.31 0.52 2.00 2.17 0.00 -0.74 -1.93 103.07 105.41 3har h GLY 125 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 3har h GLY 125 CO -0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 176.54 176.35 3har h ALA 126 N 1.34 1.67 -0.07 3.60 0.00 -0.06 -2.56 119.26 123.19 3har h ALA 126 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3har h ALA 126 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3har h ALA 126 CO -0.29 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.24 3har n LEU 127 N -4.07 2.93 -4.74 0.00 4.77 -0.71 -4.96 117.00 110.22 3har n LEU 127 Ca -0.03 -1.06 -0.40 0.00 -0.03 0.00 0.00 56.01 54.49 3har n LEU 127 Cb 0.08 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3har n LEU 127 CO 0.29 0.51 0.55 -0.89 -1.33 0.00 0.00 177.39 176.53 3har s THR 128 N -1.82 4.57 -0.47 -5.08 2.01 -0.87 -4.97 115.64 109.01 3har s THR 128 Ca 0.27 1.83 0.23 0.00 0.31 0.00 0.00 61.69 64.34 3har s THR 128 Cb 0.19 -4.21 0.05 0.00 0.01 0.00 0.00 72.50 68.54 3har s THR 128 CO 0.28 0.37 1.23 0.11 -0.69 0.00 0.00 174.62 175.93 3har h LYS 129 N 5.40 0.00 -5.17 4.92 1.57 -1.90 -3.44 116.57 117.95 3har h LYS 129 Ca -0.44 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.69 3har h LYS 129 Cb 1.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.36 3har h LYS 129 CO 0.71 0.00 -0.11 0.08 -0.57 0.00 0.00 179.45 179.56 3har s VAL 130 N -3.25 5.05 0.16 0.50 1.01 -1.26 -4.37 120.40 118.24 3har s VAL 130 Ca 0.04 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.12 3har s VAL 130 Cb 0.11 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.62 3har s VAL 130 CO 0.74 -0.19 1.71 0.22 0.00 0.00 0.00 175.10 177.59 3har h TYR 131 N 8.46 0.04 -0.83 5.22 5.03 -1.93 -0.98 116.97 131.99 3har h TYR 131 Ca -0.28 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.07 3har h TYR 131 Cb 1.13 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.41 3har h TYR 131 CO 0.71 -0.04 0.55 0.77 -1.32 0.00 0.00 178.16 178.84 3har h SER 132 N 0.15 0.94 0.67 -2.11 0.02 -1.97 -2.06 113.55 109.18 3har h SER 132 Ca 0.19 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 3har h SER 132 Cb 0.25 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3har h SER 132 CO -0.29 0.67 -0.35 1.88 -1.14 0.00 0.00 176.83 177.61 3har h TYR 133 N 1.11 0.00 -0.99 3.45 0.05 -1.60 -2.29 116.97 116.69 3har h TYR 133 Ca 0.31 0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.24 3har h TYR 133 Cb -0.09 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.55 3har h TYR 133 CO -0.00 0.35 0.61 0.00 -1.05 0.00 0.00 178.16 178.06 3har h ARG 134 N 0.00 0.85 0.00 4.88 3.08 -0.86 -2.24 114.38 120.09 3har h ARG 134 Ca -0.00 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3har h ARG 134 Cb 0.77 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3har h ARG 134 CO 0.04 0.56 -0.59 0.74 -1.07 0.00 0.00 179.97 179.66 3har h PHE 135 N 0.88 0.00 -0.00 3.04 0.04 -1.48 -1.78 116.94 117.63 3har h PHE 135 Ca 0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.30 3har h PHE 135 Cb 0.66 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.81 3har h PHE 135 CO -0.01 0.59 -0.02 0.28 -0.60 0.00 0.00 178.31 178.56 3har h VAL 136 N 0.00 0.96 -0.81 -0.55 2.07 -1.36 -0.28 116.25 116.28 3har h VAL 136 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3har h VAL 136 Cb 1.26 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3har h VAL 136 CO 0.08 0.00 0.36 -0.50 0.02 0.00 0.00 177.57 177.52 3har h TRP 137 N -0.03 1.20 -0.82 1.57 4.06 -1.34 -1.55 115.95 119.04 3har h TRP 137 Ca 0.01 -0.08 0.05 0.00 2.06 0.00 0.00 58.89 60.93 3har h TRP 137 Cb 0.04 -0.37 -0.05 0.00 -1.00 0.00 0.00 29.16 27.78 3har h TRP 137 CO -0.09 0.89 0.52 2.35 -3.56 0.00 0.00 178.44 178.55 3har h TRP 138 N 1.17 0.96 -0.43 0.49 7.01 -1.19 -0.42 115.95 123.55 3har h TRP 138 Ca 0.27 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.25 3har h TRP 138 Cb 0.17 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 3har h TRP 138 CO 0.02 0.52 0.08 0.00 -2.79 0.00 0.00 178.44 176.27 3har h ALA 139 N 1.37 0.57 -0.27 2.65 0.00 -0.50 -0.06 119.26 123.01 3har h ALA 139 Ca 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3har h ALA 139 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3har h ALA 139 CO -0.14 0.27 0.17 0.82 0.00 0.00 0.00 179.25 180.38 3har h ILE 140 N 0.56 1.08 -0.47 0.00 2.04 -1.02 -0.45 117.51 119.25 3har h ILE 140 Ca 0.13 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3har h ILE 140 Cb 0.36 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3har h ILE 140 CO 0.01 0.07 0.24 -1.28 0.00 0.00 0.00 178.15 177.20 3har h SER 141 N 0.36 0.36 -0.32 1.72 0.87 -0.86 -1.75 113.55 113.93 3har h SER 141 Ca 0.10 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 3har h SER 141 Cb -0.03 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3har h SER 141 CO -0.02 0.26 -0.09 0.00 -0.53 0.00 0.00 176.83 176.45 3har h THR 142 N 0.48 1.25 -0.70 2.23 1.03 -0.76 -0.30 112.91 116.14 3har h THR 142 Ca 0.20 -1.10 0.04 0.00 -0.01 0.00 0.00 66.41 65.54 3har h THR 142 Cb 0.09 1.02 -0.05 0.00 -1.07 0.00 0.00 68.15 68.14 3har h THR 142 CO -0.13 0.38 0.42 0.00 -0.01 0.00 0.00 175.52 176.18 3har h ALA 143 N 1.23 0.93 -0.60 0.00 0.00 -0.65 0.70 119.26 120.87 3har h ALA 143 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3har h ALA 143 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3har h ALA 143 CO 0.03 0.15 0.14 0.00 0.00 0.00 0.00 179.25 179.57 3har h ALA 144 N 1.33 0.79 -0.35 0.00 0.00 -0.78 -1.23 119.26 119.01 3har h ALA 144 Ca 0.30 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3har h ALA 144 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3har h ALA 144 CO -0.14 0.50 0.18 1.98 0.00 0.00 0.00 179.25 181.76 3har h MET 145 N 0.87 0.35 -0.24 0.00 -1.53 -0.47 -1.85 114.93 112.05 3har h MET 145 Ca 0.19 -0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.38 3har h MET 145 Cb 0.36 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.32 3har h MET 145 CO 0.00 0.23 -0.06 -0.07 0.14 0.00 0.00 176.91 177.15 3har h LEU 146 N 0.36 0.36 -0.10 3.39 3.38 -0.38 0.11 115.31 122.43 3har h LEU 146 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3har h LEU 146 Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3har h LEU 146 CO -0.11 0.47 0.06 0.22 0.09 0.00 0.00 178.44 179.18 3har h TYR 147 N 0.37 0.11 -0.16 1.13 3.20 -0.81 0.43 116.97 121.24 3har h TYR 147 Ca 0.08 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.99 3har h TYR 147 Cb 0.35 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 3har h TYR 147 CO 0.01 0.07 -0.08 0.28 -1.64 0.00 0.00 178.16 176.80 3har h VAL 148 N 0.13 0.75 -0.63 1.81 2.07 -0.47 -1.35 116.25 118.56 3har h VAL 148 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3har h VAL 148 Cb -0.01 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3har h VAL 148 CO -0.01 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.70 3har h LEU 149 N -0.06 0.89 -0.15 2.57 3.38 -0.87 -1.09 115.31 119.98 3har h LEU 149 Ca 0.09 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3har h LEU 149 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3har h LEU 149 CO -0.20 0.84 0.08 0.22 0.09 0.00 0.00 178.44 179.46 3har h TYR 150 N 0.92 0.15 -0.57 1.13 3.20 -0.51 0.44 116.97 121.72 3har h TYR 150 Ca 0.21 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3har h TYR 150 Cb 0.27 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3har h TYR 150 CO 0.02 0.09 0.33 0.28 -1.64 0.00 0.00 178.16 177.23 3har h VAL 151 N 0.17 1.18 -0.68 1.81 2.07 -0.95 0.18 116.25 120.03 3har h VAL 151 Ca 0.06 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3har h VAL 151 Cb 0.01 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3har h VAL 151 CO -0.04 0.19 0.28 -0.07 0.02 0.00 0.00 177.57 177.95 3har h LEU 152 N 0.76 0.93 0.09 2.57 3.38 -1.00 0.95 115.31 123.01 3har h LEU 152 Ca 0.20 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3har h LEU 152 Cb 0.01 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.54 3har h LEU 152 CO -0.04 0.84 -0.70 0.15 0.09 0.00 0.00 178.44 178.78 3har h PHE 153 N 0.96 0.53 0.00 1.13 3.04 -0.60 -3.13 116.94 118.88 3har h PHE 153 Ca 0.23 -0.35 -0.07 0.00 3.98 0.00 0.00 57.97 61.75 3har h PHE 153 Cb 0.20 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 3har h PHE 153 CO 0.01 1.24 -0.69 0.74 -2.02 0.00 0.00 178.31 177.59 3har h PHE 154 N -0.33 0.00 0.32 0.41 0.04 -0.72 -3.34 116.94 113.32 3har h PHE 154 Ca -0.11 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 3har h PHE 154 Cb 1.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.66 3har h PHE 154 CO 0.19 0.46 -0.15 0.78 -0.60 0.00 0.00 178.31 178.99 3har h GLY 155 N -1.00 -0.44 1.67 -1.45 0.00 -1.00 -2.60 103.07 98.24 3har h GLY 155 Ca -0.10 0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 3har h GLY 155 CO -0.06 -0.16 -0.42 0.74 0.00 0.00 0.00 176.54 176.64 3har h PHE 156 N -0.59 0.44 -0.70 5.60 -1.00 -0.98 -2.06 116.94 117.65 3har h PHE 156 Ca -0.04 -0.12 -0.07 0.00 2.81 0.00 0.00 57.97 60.55 3har h PHE 156 Cb 0.43 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 3har h PHE 156 CO -0.01 0.73 0.18 1.15 -1.61 0.00 0.00 178.31 178.75 3har h THR 157 N 0.30 1.26 -0.36 -1.55 2.02 -1.59 0.17 112.91 113.17 3har h THR 157 Ca 0.03 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.29 3har h THR 157 Cb 0.87 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3har h THR 157 CO 0.07 0.37 0.14 0.28 0.37 0.00 0.00 175.52 176.74 3har h SER 158 N 1.04 0.16 -0.74 4.18 0.02 -1.08 -2.16 113.55 114.97 3har h SER 158 Ca 0.22 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3har h SER 158 Cb 0.36 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3har h SER 158 CO 0.00 0.13 0.32 0.11 -1.14 0.00 0.00 176.83 176.25 3har h LYS 159 N 0.29 1.09 0.00 3.45 1.79 -1.00 -2.72 116.57 119.47 3har h LYS 159 Ca 0.16 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3har h LYS 159 Cb 0.13 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3har h LYS 159 CO -0.16 0.88 -0.01 0.00 -1.08 0.00 0.00 179.45 179.08 3har h ALA 160 N 1.16 1.77 0.00 3.86 0.00 -0.11 -2.13 119.26 123.82 3har h ALA 160 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3har h ALA 160 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3har h ALA 160 CO -0.03 0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.17 3har h GLU 161 N 0.00 0.00 -0.01 0.00 4.39 -1.07 -1.13 114.58 116.76 3har h GLU 161 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3har h GLU 161 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3har h GLU 161 CO 0.00 0.00 -0.30 -1.13 -1.16 0.00 0.00 179.01 176.43 3har n SER 162 N -2.84 1.41 -4.94 1.42 3.41 -0.80 -4.93 113.62 106.34 3har n SER 162 Ca -0.01 -1.15 -0.24 0.00 -0.26 0.00 0.00 58.87 57.21 3har n SER 162 Cb 0.13 0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 3har n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3har s MET 163 N -2.44 2.94 0.54 4.33 -1.94 -0.43 -5.05 119.30 117.24 3har s MET 163 Ca 0.24 -0.34 -0.22 0.00 -1.71 0.00 0.00 55.69 53.66 3har s MET 163 Cb 0.19 -2.44 -0.06 0.00 2.01 0.00 0.00 34.83 34.54 3har s MET 163 CO 0.52 -0.49 1.30 2.89 -0.01 0.00 0.00 175.02 179.23 3har n ARG 164 N -2.31 1.64 -0.30 2.03 1.85 -1.26 -4.69 116.66 113.62 3har n ARG 164 Ca 0.03 0.60 0.25 0.00 -1.00 0.00 0.00 57.85 57.74 3har n ARG 164 Cb 0.58 -2.50 0.58 0.00 -1.05 0.00 0.00 32.46 30.06 3har n ARG 164 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3har h PRO 165 N 1.42 0.27 -0.67 2.89 0.11 -1.95 -0.44 132.00 133.63 3har h PRO 165 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3har h PRO 165 Cb 1.31 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3har h PRO 165 CO 0.57 0.18 0.26 1.49 -0.21 0.00 0.00 178.00 180.29 3har h GLU 166 N 0.28 1.01 -0.10 1.05 4.57 -1.99 0.17 114.58 119.57 3har h GLU 166 Ca 0.56 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.50 3har h GLU 166 Cb 1.63 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 30.06 3har h GLU 166 CO -0.20 0.85 -0.12 0.28 -1.18 0.00 0.00 179.01 178.64 3har h VAL 167 N 0.96 1.37 -0.74 0.32 2.07 -1.48 -2.27 116.25 116.48 3har h VAL 167 Ca 0.22 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.51 3har h VAL 167 Cb 0.22 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3har h VAL 167 CO -0.02 0.37 0.42 0.00 0.02 0.00 0.00 177.57 178.37 3har h ALA 168 N 0.57 1.01 -0.44 1.67 0.00 -1.03 0.10 119.26 121.14 3har h ALA 168 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3har h ALA 168 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3har h ALA 168 CO 0.03 0.10 -0.03 0.77 0.00 0.00 0.00 179.25 180.13 3har h SER 169 N 0.76 0.78 -0.40 0.00 0.02 -0.64 -0.67 113.55 113.41 3har h SER 169 Ca 0.34 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3har h SER 169 Cb 0.22 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3har h SER 169 CO -0.20 0.92 0.21 0.74 -1.14 0.00 0.00 176.83 177.37 3har h THR 170 N 0.63 1.15 -0.54 -2.27 2.02 -1.08 -2.25 112.91 110.58 3har h THR 170 Ca 0.12 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 66.95 3har h THR 170 Cb 0.53 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3har h THR 170 CO 0.03 0.16 0.25 0.15 0.37 0.00 0.00 175.52 176.48 3har h PHE 171 N 0.51 0.46 -0.86 3.16 3.57 -0.75 -1.94 116.94 121.10 3har h PHE 171 Ca 0.14 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3har h PHE 171 Cb 0.07 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3har h PHE 171 CO -0.02 0.20 0.44 0.87 -2.23 0.00 0.00 178.31 177.56 3har h LYS 172 N 0.48 1.22 -0.12 1.11 1.57 -0.75 0.45 116.57 120.53 3har h LYS 172 Ca 0.25 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3har h LYS 172 Cb 0.20 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3har h LYS 172 CO -0.20 0.92 0.07 0.28 -0.57 0.00 0.00 179.45 179.95 3har h VAL 173 N 1.21 1.07 -0.55 0.50 2.07 -1.11 -0.57 116.25 118.88 3har h VAL 173 Ca 0.30 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 3har h VAL 173 Cb 0.08 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3har h VAL 173 CO -0.04 0.07 -0.04 -0.07 0.02 0.00 0.00 177.57 177.50 3har h LEU 174 N 0.12 0.96 -0.54 2.57 3.38 -0.85 -0.77 115.31 120.18 3har h LEU 174 Ca 0.04 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3har h LEU 174 Cb 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3har h LEU 174 CO -0.01 1.03 0.31 -0.09 0.09 0.00 0.00 178.44 179.77 3har h ARG 175 N 0.88 0.59 -0.27 1.13 2.43 0.00 -0.25 114.38 118.90 3har h ARG 175 Ca 0.15 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3har h ARG 175 Cb 0.57 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3har h ARG 175 CO 0.03 0.39 0.06 -0.91 -1.51 0.00 0.00 179.97 178.04 3har h ASN 176 N 0.61 0.41 -0.44 -3.80 4.21 -0.74 0.01 115.58 115.84 3har h ASN 176 Ca 0.22 -0.24 0.04 0.00 1.21 0.00 0.00 56.30 57.54 3har h ASN 176 Cb 0.06 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.11 3har h ASN 176 CO -0.12 0.54 0.20 0.58 -1.29 0.00 0.00 177.43 177.34 3har h VAL 177 N 0.26 0.93 0.05 2.81 2.07 -1.00 -1.75 116.25 119.62 3har h VAL 177 Ca 0.08 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3har h VAL 177 Cb 0.29 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3har h VAL 177 CO 0.00 0.07 -0.02 0.74 0.02 0.00 0.00 177.57 178.38 3har h THR 178 N 0.40 0.97 -0.30 2.57 2.02 -0.73 -0.43 112.91 117.40 3har h THR 178 Ca 0.20 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.34 3har h THR 178 Cb 0.14 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3har h THR 178 CO -0.16 0.01 0.18 0.58 0.37 0.00 0.00 175.52 176.50 3har h VAL 179 N -0.09 1.04 -0.05 3.16 2.07 -0.84 0.15 116.25 121.69 3har h VAL 179 Ca -0.01 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3har h VAL 179 Cb 0.07 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3har h VAL 179 CO 0.01 0.07 0.02 0.58 0.02 0.00 0.00 177.57 178.27 3har h VAL 180 N 0.37 1.15 -0.13 2.57 2.07 -1.21 -1.91 116.25 119.17 3har h VAL 180 Ca 0.12 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3har h VAL 180 Cb -0.00 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3har h VAL 180 CO -0.05 0.13 -0.23 -0.07 0.02 0.00 0.00 177.57 177.36 3har h LEU 181 N -0.08 0.42 -0.99 2.57 3.38 -0.96 -3.25 115.31 116.40 3har h LEU 181 Ca 0.02 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 3har h LEU 181 Cb 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3har h LEU 181 CO -0.00 0.89 0.13 -0.50 0.09 0.00 0.00 178.44 179.06 3har h TRP 182 N -0.03 0.89 0.00 1.13 4.06 -0.74 -2.07 115.95 119.20 3har h TRP 182 Ca 0.01 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.87 3har h TRP 182 Cb 0.82 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 3har h TRP 182 CO 0.10 0.75 0.00 0.66 -3.56 0.00 0.00 178.44 176.39 3har h SER 183 N 0.83 0.00 0.83 -3.49 4.64 -1.38 -2.28 113.55 112.70 3har h SER 183 Ca 0.18 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.31 3har h SER 183 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3har h SER 183 CO -0.00 0.00 -0.89 0.00 -0.87 0.00 0.00 176.83 175.07 3har h ALA 184 N 2.01 0.53 -0.41 5.18 0.00 -1.40 -3.38 119.26 121.79 3har h ALA 184 Ca 0.00 -0.79 0.08 0.00 0.00 0.00 0.00 54.91 54.20 3har h ALA 184 Cb 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3har h ALA 184 CO 0.00 1.07 -0.02 1.88 0.00 0.00 0.00 179.25 182.18 3har h TYR 185 N 0.02 -0.06 0.00 0.00 -1.99 -1.46 -1.03 116.97 112.45 3har h TYR 185 Ca -0.02 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3har h TYR 185 Cb 1.56 0.09 -0.00 0.00 2.00 0.00 0.00 36.73 40.38 3har h TYR 185 CO 0.01 -0.10 -0.09 -1.00 -0.00 0.00 0.00 178.16 176.97 3har h PRO 186 N 0.09 0.00 -0.12 4.88 0.13 -1.75 -1.69 132.00 133.54 3har h PRO 186 Ca 0.20 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.21 3har h PRO 186 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 3har h PRO 186 CO -0.36 0.09 -0.40 0.28 -0.23 0.00 0.00 178.00 177.38 3har h VAL 187 N 0.00 1.37 -0.83 1.56 2.07 -1.50 -0.87 116.25 118.05 3har h VAL 187 Ca -0.00 -1.71 0.06 0.00 0.82 0.00 0.00 66.70 65.87 3har h VAL 187 Cb 0.16 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 3har h VAL 187 CO 0.01 0.51 0.51 0.58 0.02 0.00 0.00 177.57 179.20 3har h VAL 188 N 0.07 1.03 -0.28 2.57 2.07 -0.88 -2.04 116.25 118.79 3har h VAL 188 Ca -0.02 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3har h VAL 188 Cb 1.02 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3har h VAL 188 CO 0.08 0.17 0.07 -0.25 0.02 0.00 0.00 177.57 177.66 3har h TRP 189 N 0.93 0.46 -0.82 1.57 7.01 -1.24 -0.94 115.95 122.91 3har h TRP 189 Ca 0.36 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.35 3har h TRP 189 Cb 0.18 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.05 3har h TRP 189 CO -0.04 0.51 0.52 1.25 -2.79 0.00 0.00 178.44 177.89 3har h LEU 190 N 0.28 0.84 0.00 0.65 5.85 -0.71 -2.23 115.31 119.99 3har h LEU 190 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3har h LEU 190 Cb 0.28 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3har h LEU 190 CO 0.00 0.57 -0.83 2.30 -0.34 0.00 0.00 178.44 180.14 3har n ILE 191 N -4.60 0.03 -1.51 4.05 -5.35 -0.81 0.09 119.36 111.26 3har n ILE 191 Ca 0.10 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 3har n ILE 191 Cb 0.12 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 3har n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3har n GLY 192 N 1.48 1.37 0.31 3.28 0.00 -0.36 -1.02 105.19 110.24 3har n GLY 192 Ca 0.04 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.22 3har n GLY 192 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3har h SER 193 N 0.00 0.20 1.48 1.61 0.87 -1.81 0.19 113.55 116.10 3har h SER 193 Ca 0.00 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3har h SER 193 Cb 0.00 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3har h SER 193 CO 0.00 0.14 -0.52 -0.33 -0.53 0.00 0.00 176.83 175.58 3har h GLU 194 N 0.23 0.00 0.00 2.24 3.07 -1.89 -3.43 114.58 114.80 3har h GLU 194 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3har h GLU 194 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3har h GLU 194 CO -0.03 0.47 0.00 0.41 -1.40 0.00 0.00 179.01 178.46 3har n GLY 195 N 1.23 0.92 0.16 -3.84 0.00 -0.63 -4.91 105.19 98.11 3har n GLY 195 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3har n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3har h ALA 196 N -0.12 1.00 -1.66 4.61 0.00 -0.31 -3.47 119.26 119.31 3har h ALA 196 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3har h ALA 196 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3har h ALA 196 CO 0.00 0.00 -0.32 0.41 0.00 0.00 0.00 179.25 179.34 3har n GLY 197 N 0.47 0.10 0.09 0.00 0.00 0.58 -4.93 105.19 101.51 3har n GLY 197 Ca 0.03 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 3har n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3har h ILE 198 N 0.00 1.51 -3.37 -0.61 2.04 -1.29 -3.44 117.51 112.35 3har h ILE 198 Ca -0.31 -2.38 -0.60 0.00 1.00 0.00 0.00 64.86 62.58 3har h ILE 198 Cb 1.17 3.10 -0.09 0.00 -0.74 0.00 0.00 36.82 40.25 3har h ILE 198 CO 0.37 0.61 0.30 -0.69 0.00 0.00 0.00 178.15 178.74 3har s VAL 199 N -2.33 4.92 0.76 1.67 1.01 -0.18 -5.02 120.40 121.23 3har s VAL 199 Ca -0.19 1.36 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 3har s VAL 199 Cb 0.00 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.41 3har s VAL 199 CO 0.72 0.01 1.20 -2.16 0.00 0.00 0.00 175.10 174.87 3har s PRO 200 N 2.47 1.97 0.30 2.72 0.04 -1.26 -3.74 135.00 137.50 3har s PRO 200 Ca 0.31 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.10 3har s PRO 200 Cb -0.16 -1.82 0.63 0.00 0.04 0.00 0.00 34.50 33.20 3har s PRO 200 CO 0.09 -1.95 1.85 1.25 0.04 0.00 0.00 177.00 178.27 3har h LEU 201 N -0.56 0.85 -0.55 -3.56 5.85 -1.97 -0.27 115.31 115.10 3har h LEU 201 Ca -0.47 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 3har h LEU 201 Cb 1.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3har h LEU 201 CO 0.48 0.44 0.34 -0.55 -0.34 0.00 0.00 178.44 178.82 3har h ASN 202 N 0.91 0.65 -0.20 1.25 -1.07 -1.93 0.22 115.58 115.40 3har h ASN 202 Ca 0.48 -0.04 -0.17 0.00 0.07 0.00 0.00 56.30 56.64 3har h ASN 202 Cb 0.56 -0.16 -0.00 0.00 -2.07 0.00 0.00 38.32 36.64 3har h ASN 202 CO -0.25 0.50 -0.50 0.40 0.07 0.00 0.00 177.43 177.65 3har h ILE 203 N 0.73 1.29 -0.90 6.14 1.08 -1.74 -2.45 117.51 121.66 3har h ILE 203 Ca 0.20 -1.70 0.01 0.00 -0.39 0.00 0.00 64.86 62.97 3har h ILE 203 Cb -0.04 1.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 3har h ILE 203 CO -0.04 0.55 0.59 -0.08 -0.69 0.00 0.00 178.15 178.48 3har h GLU 204 N 0.61 1.19 -0.68 2.37 4.81 -0.84 -0.21 114.58 121.82 3har h GLU 204 Ca 0.02 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3har h GLU 204 Cb 1.08 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 3har h GLU 204 CO 0.11 0.80 0.33 1.15 -0.73 0.00 0.00 179.01 180.66 3har h THR 205 N 1.22 1.23 -0.21 0.32 2.02 -0.84 0.50 112.91 117.16 3har h THR 205 Ca 0.33 -0.65 0.04 0.00 0.77 0.00 0.00 66.41 66.90 3har h THR 205 Cb -0.13 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 3har h THR 205 CO -0.07 0.27 -0.07 0.25 0.37 0.00 0.00 175.52 176.27 3har h LEU 206 N 0.95 -0.24 -0.09 2.58 5.85 -0.97 -0.15 115.31 123.25 3har h LEU 206 Ca 0.23 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 3har h LEU 206 Cb 0.12 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3har h LEU 206 CO -0.03 -0.09 0.05 -0.07 -0.34 0.00 0.00 178.44 177.96 3har h LEU 207 N -0.03 0.11 -1.59 2.25 3.38 -0.54 -1.02 115.31 117.87 3har h LEU 207 Ca 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3har h LEU 207 Cb 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3har h LEU 207 CO -0.23 0.14 0.04 -0.26 0.09 0.00 0.00 178.44 178.22 3har h PHE 208 N 0.07 0.29 -0.13 1.13 0.04 -0.83 -0.89 116.94 116.63 3har h PHE 208 Ca 0.03 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3har h PHE 208 Cb 0.05 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3har h PHE 208 CO -0.05 0.28 0.03 1.98 -0.60 0.00 0.00 178.31 179.95 3har h MET 209 N 0.30 0.21 -0.31 1.51 4.05 -0.49 0.25 114.93 120.44 3har h MET 209 Ca 0.07 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3har h MET 209 Cb 0.15 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 3har h MET 209 CO -0.00 0.38 0.15 0.28 0.23 0.00 0.00 176.91 177.94 3har h VAL 210 N 0.00 1.15 -0.05 -5.77 2.07 -0.82 -0.25 116.25 112.59 3har h VAL 210 Ca 0.04 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3har h VAL 210 Cb 0.26 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3har h VAL 210 CO 0.00 0.16 0.03 -0.07 0.02 0.00 0.00 177.57 177.70 3har h LEU 211 N 0.36 0.06 -0.12 2.57 3.38 -1.08 -1.64 115.31 118.84 3har h LEU 211 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3har h LEU 211 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3har h LEU 211 CO -0.01 0.12 0.08 0.44 0.09 0.00 0.00 178.44 179.15 3har h ASP 212 N -0.00 0.13 -0.42 -0.43 3.32 -0.32 0.00 116.42 118.69 3har h ASP 212 Ca 0.02 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3har h ASP 212 Cb 0.07 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3har h ASP 212 CO -0.00 0.09 0.13 0.58 -1.72 0.00 0.00 179.24 178.33 3har h VAL 213 N 0.16 1.22 -0.59 -1.35 2.07 -1.00 -1.81 116.25 114.95 3har h VAL 213 Ca 0.05 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3har h VAL 213 Cb -0.01 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3har h VAL 213 CO -0.02 0.25 0.35 0.28 0.02 0.00 0.00 177.57 178.46 3har h SER 214 N 0.54 0.55 1.31 0.57 0.02 -1.15 0.59 113.55 115.98 3har h SER 214 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3har h SER 214 Cb 0.26 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3har h SER 214 CO -0.00 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 3har h ALA 215 N 1.27 1.00 0.00 3.77 0.00 -0.67 -1.50 119.26 123.13 3har h ALA 215 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3har h ALA 215 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3har h ALA 215 CO -0.12 0.00 -0.18 1.63 0.00 0.00 0.00 179.25 180.59 3har n LYS 216 N -2.47 0.09 -0.04 0.00 5.02 -0.71 -4.39 118.16 115.66 3har n LYS 216 Ca 0.04 0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 3har n LYS 216 Cb 0.38 -0.58 -0.08 0.00 -0.02 0.00 0.00 35.03 34.73 3har n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3har h VAL 217 N -0.18 1.37 0.32 -0.18 2.07 -1.10 0.16 116.25 118.71 3har h VAL 217 Ca 0.00 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 3har h VAL 217 Cb 0.18 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3har h VAL 217 CO 0.00 0.50 -0.15 1.23 0.02 0.00 0.00 177.57 179.17 3har h GLY 218 N 0.08 -0.45 -0.02 2.17 0.00 -0.98 0.70 103.07 104.58 3har h GLY 218 Ca -0.01 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.58 3har h GLY 218 CO 0.08 -0.16 -0.18 -2.75 0.00 0.00 0.00 176.54 173.53 3har h PHE 219 N -0.50 -0.42 -0.80 5.60 3.04 -1.36 -1.97 116.94 120.53 3har h PHE 219 Ca -0.04 0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.96 3har h PHE 219 Cb 0.38 0.26 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 3har h PHE 219 CO -0.04 -0.26 0.52 0.78 -2.02 0.00 0.00 178.31 177.29 3har h GLY 220 N -0.08 1.13 0.95 2.40 0.00 -0.70 -0.93 103.07 105.83 3har h GLY 220 Ca 0.22 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3har h GLY 220 CO -0.51 0.42 0.29 1.41 0.00 0.00 0.00 176.54 178.16 3har h LEU 221 N 1.08 0.49 0.03 3.11 3.38 -0.39 0.13 115.31 123.15 3har h LEU 221 Ca 0.29 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3har h LEU 221 Cb -0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3har h LEU 221 CO -0.06 0.35 -0.02 0.40 0.09 0.00 0.00 178.44 179.21 3har h ILE 222 N 0.59 1.03 -0.12 1.22 2.04 -0.99 -2.54 117.51 118.75 3har h ILE 222 Ca 0.18 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3har h ILE 222 Cb -0.03 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3har h ILE 222 CO -0.06 0.05 0.04 0.25 0.00 0.00 0.00 178.15 178.43 3har h LEU 223 N -0.13 0.17 -0.06 1.44 5.85 -0.98 -3.23 115.31 118.37 3har h LEU 223 Ca -0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3har h LEU 223 Cb 0.12 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3har h LEU 223 CO 0.01 0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.59 3har n LEU 224 N -4.89 0.65 -0.35 2.25 4.77 0.43 -2.13 117.00 117.74 3har n LEU 224 Ca -0.05 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3har n LEU 224 Cb 0.12 -0.38 0.33 0.00 -2.33 0.00 0.00 43.42 41.17 3har n LEU 224 CO 0.34 -0.19 0.63 -2.11 -1.33 0.00 0.00 177.39 174.74 3har n ARG 225 N -2.12 1.08 -3.06 3.23 1.85 -0.96 -4.97 116.66 111.71 3har n ARG 225 Ca 0.05 -0.69 -0.30 0.00 -1.00 0.00 0.00 57.85 55.91 3har n ARG 225 Cb 0.39 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.28 3har n ARG 225 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3har s SER 226 N -2.40 6.53 0.08 2.89 0.15 -0.91 -4.97 113.70 115.07 3har s SER 226 Ca 0.26 1.02 0.25 0.00 0.70 0.00 0.00 55.95 58.17 3har s SER 226 Cb 0.19 -2.27 0.98 0.00 -1.71 0.00 0.00 66.02 63.21 3har s SER 226 CO 0.49 -0.30 1.77 0.54 1.20 0.00 0.00 173.24 176.94 3har n ARG 227 N -1.02 0.08 0.28 5.44 1.74 -1.26 -3.82 116.66 118.11 3har n ARG 227 Ca 0.01 0.15 0.14 0.00 -0.77 0.00 0.00 57.85 57.39 3har n ARG 227 Cb 0.54 -1.61 0.83 0.00 -1.02 0.00 0.00 32.46 31.20 3har n ARG 227 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3har h ALA 228 N 2.70 1.38 0.00 7.54 0.00 -1.89 -2.40 119.26 126.59 3har h ALA 228 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3har h ALA 228 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3har h ALA 228 CO 0.00 0.07 -0.05 0.44 0.00 0.00 0.00 179.25 179.72 3har n ILE 229 N -3.71 0.13 -3.13 0.00 -5.35 -1.25 -4.86 119.36 101.19 3har n ILE 229 Ca -0.02 -0.07 -0.39 0.00 -0.27 0.00 0.00 62.75 62.00 3har n ILE 229 Cb 0.16 -0.46 -0.06 0.00 -1.74 0.00 0.00 39.64 37.54 3har n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3har s PHE 230 N -3.03 3.81 -2.44 4.28 0.40 -0.91 -2.07 117.98 118.03 3har s PHE 230 Ca 0.13 1.40 0.29 0.00 -0.60 0.00 0.00 56.93 58.15 3har s PHE 230 Cb 0.17 -2.65 1.16 0.00 0.51 0.00 0.00 43.02 42.21 3har s PHE 230 CO 0.56 0.48 1.81 0.41 0.70 0.00 0.00 175.22 179.17